NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12751 | 1tiz | 6209 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 -7.799 -11.602 0.288 2 1HB SER 1 2HB SER 1 -9.153 -10.168 -2.014 3 2HB SER 1 1HB SER 1 -7.428 -10.199 -1.665 4 HG SER 1 HG SER 1 -8.273 -12.700 -1.739 5 H SER 2 H SER 2 -7.889 -10.438 2.198 6 HA SER 2 HA SER 2 -9.695 -8.168 2.528 7 1HB SER 2 2HB SER 2 -7.507 -8.162 4.423 8 2HB SER 2 1HB SER 2 -9.214 -8.494 4.707 9 HG SER 2 HG SER 2 -8.600 -10.633 3.661 10 H ALA 3 H ALA 3 -7.628 -8.130 0.312 11 HA ALA 3 HA ALA 3 -5.684 -6.144 1.147 12 1HB ALA 3 1HB ALA 3 -6.528 -6.858 -1.669 13 2HB ALA 3 2HB ALA 3 -5.326 -7.758 -0.744 14 3HB ALA 3 3HB ALA 3 -5.033 -6.073 -1.172 15 H LYS 4 H LYS 4 -8.847 -6.098 -0.406 16 HA LYS 4 HA LYS 4 -8.685 -3.225 -0.972 17 1HB LYS 4 2HB LYS 4 -10.067 -4.453 -2.475 18 2HB LYS 4 1HB LYS 4 -10.899 -5.279 -1.163 19 1HG LYS 4 2HG LYS 4 -12.247 -3.460 -0.683 20 2HG LYS 4 1HG LYS 4 -11.035 -2.291 -1.208 21 1HD LYS 4 2HD LYS 4 -12.286 -4.115 -3.245 22 2HD LYS 4 1HD LYS 4 -13.185 -2.708 -2.683 23 1HE LYS 4 2HE LYS 4 -11.216 -1.274 -3.271 24 2HE LYS 4 1HE LYS 4 -10.428 -2.696 -3.953 25 1HZ LYS 4 1HZ LYS 4 -11.453 -1.848 -5.789 26 2HZ LYS 4 2HZ LYS 4 -12.770 -1.221 -4.918 27 3HZ LYS 4 3HZ LYS 4 -12.674 -2.886 -5.237 28 H ARG 5 H ARG 5 -10.069 -5.381 1.451 29 HA ARG 5 HA ARG 5 -11.566 -3.476 2.952 30 1HB ARG 5 2HB ARG 5 -11.460 -6.035 3.231 31 2HB ARG 5 1HB ARG 5 -9.969 -5.752 4.142 32 1HG ARG 5 2HG ARG 5 -11.165 -4.331 5.727 33 2HG ARG 5 1HG ARG 5 -12.651 -4.480 4.788 34 1HD ARG 5 2HD ARG 5 -12.913 -6.068 6.518 35 2HD ARG 5 1HD ARG 5 -12.380 -7.030 5.141 36 HE ARG 5 HE ARG 5 -10.018 -6.369 6.411 37 1HH1 ARG 5 1HH2 ARG 5 -13.038 -7.748 7.341 38 2HH1 ARG 5 2HH2 ARG 5 -12.356 -8.734 8.590 39 1HH2 ARG 5 1HH1 ARG 5 -9.107 -7.649 8.038 40 2HH2 ARG 5 2HH1 ARG 5 -10.130 -8.678 8.985 41 H VAL 6 H VAL 6 -8.225 -4.645 3.373 42 HA VAL 6 HA VAL 6 -7.532 -2.908 5.502 43 HB VAL 6 HB VAL 6 -6.286 -4.936 4.103 44 1HG1 VAL 6 1HG1 VAL 6 -4.114 -3.865 3.342 45 2HG1 VAL 6 2HG1 VAL 6 -4.990 -2.339 3.309 46 3HG1 VAL 6 3HG1 VAL 6 -5.507 -3.672 2.284 47 1HG2 VAL 6 1HG2 VAL 6 -5.654 -4.703 6.326 48 2HG2 VAL 6 2HG2 VAL 6 -5.363 -2.972 6.175 49 3HG2 VAL 6 3HG2 VAL 6 -4.200 -4.122 5.515 50 H PHE 7 H PHE 7 -7.337 -2.538 2.012 51 HA PHE 7 HA PHE 7 -6.073 0.036 1.979 52 1HB PHE 7 2HB PHE 7 -6.205 -1.091 -0.113 53 2HB PHE 7 1HB PHE 7 -7.943 -1.321 0.033 54 HD1 PHE 7 1HD PHE 7 -7.888 -0.368 -2.357 55 HD2 PHE 7 2HD PHE 7 -6.857 1.991 1.080 56 HE1 PHE 7 1HE PHE 7 -8.294 1.709 -3.620 57 HE2 PHE 7 2HE PHE 7 -7.309 4.037 -0.191 58 HZ PHE 7 HZ PHE 7 -8.040 3.906 -2.524 59 H GLU 8 H GLU 8 -9.575 -0.828 2.049 60 HA GLU 8 HA GLU 8 -10.628 1.773 1.998 61 1HB GLU 8 2HB GLU 8 -11.485 -0.660 3.586 62 2HB GLU 8 1HB GLU 8 -12.418 0.837 3.566 63 1HG GLU 8 2HG GLU 8 -12.718 0.697 1.171 64 2HG GLU 8 1HG GLU 8 -11.612 -0.678 1.068 65 H LYS 9 H LYS 9 -9.550 -0.056 4.857 66 HA LYS 9 HA LYS 9 -9.917 1.981 6.776 67 1HB LYS 9 2HB LYS 9 -8.328 -0.488 6.570 68 2HB LYS 9 1HB LYS 9 -7.613 0.716 7.638 69 1HG LYS 9 2HG LYS 9 -9.128 -0.722 8.918 70 2HG LYS 9 1HG LYS 9 -9.782 0.915 8.838 71 1HD LYS 9 2HD LYS 9 -11.691 -0.185 8.203 72 2HD LYS 9 1HD LYS 9 -10.931 -0.135 6.612 73 1HE LYS 9 2HE LYS 9 -10.946 -2.423 8.590 74 2HE LYS 9 1HE LYS 9 -11.593 -2.402 6.951 75 1HZ LYS 9 1HZ LYS 9 -8.722 -2.088 7.640 76 2HZ LYS 9 2HZ LYS 9 -9.382 -2.191 6.078 77 3HZ LYS 9 3HZ LYS 9 -9.436 -3.535 7.116 78 H PHE 10 H PHE 10 -7.250 1.492 4.489 79 HA PHE 10 HA PHE 10 -5.775 3.786 5.616 80 1HB PHE 10 2HB PHE 10 -5.116 2.193 3.157 81 2HB PHE 10 1HB PHE 10 -4.027 3.179 4.134 82 HD1 PHE 10 1HD PHE 10 -4.265 -0.029 3.409 83 HD2 PHE 10 2HD PHE 10 -4.834 2.441 6.883 84 HE1 PHE 10 1HE PHE 10 -3.742 -1.956 4.885 85 HE2 PHE 10 2HE PHE 10 -4.328 0.509 8.342 86 HZ PHE 10 HZ PHE 10 -3.782 -1.690 7.343 87 H ASP 11 H ASP 11 -8.109 3.247 3.075 88 HA ASP 11 HA ASP 11 -7.326 5.255 1.274 89 1HB ASP 11 2HB ASP 11 -9.657 5.441 0.638 90 2HB ASP 11 1HB ASP 11 -9.362 3.749 1.044 91 H LYS 12 H LYS 12 -6.221 6.635 2.690 92 HA LYS 12 HA LYS 12 -7.685 8.330 4.574 93 1HB LYS 12 2HB LYS 12 -5.572 8.390 5.382 94 2HB LYS 12 1HB LYS 12 -4.973 7.614 3.915 95 1HG LYS 12 2HG LYS 12 -4.818 9.780 2.793 96 2HG LYS 12 1HG LYS 12 -5.484 10.582 4.219 97 1HD LYS 12 2HD LYS 12 -3.535 10.388 5.407 98 2HD LYS 12 1HD LYS 12 -3.170 8.808 4.710 99 1HE LYS 12 2HE LYS 12 -1.662 10.838 4.057 100 2HE LYS 12 1HE LYS 12 -2.198 9.743 2.784 101 1HZ LYS 12 1HZ LYS 12 -3.996 11.933 3.392 102 2HZ LYS 12 2HZ LYS 12 -3.535 11.289 1.890 103 3HZ LYS 12 3HZ LYS 12 -2.518 12.386 2.697 104 H ASN 13 H ASN 13 -7.244 8.158 1.281 105 HA ASN 13 HA ASN 13 -7.870 11.060 0.917 106 1HB ASN 13 2HB ASN 13 -6.967 10.561 -1.490 107 2HB ASN 13 1HB ASN 13 -5.810 10.833 -0.185 108 1HD2 ASN 13 1HD2 ASN 13 -5.642 9.106 -2.720 109 2HD2 ASN 13 2HD2 ASN 13 -5.189 7.574 -2.150 110 H LYS 14 H LYS 14 -9.380 8.365 1.246 111 HA LYS 14 HA LYS 14 -11.101 7.133 0.024 112 1HB LYS 14 2HB LYS 14 -12.297 9.898 -0.117 113 2HB LYS 14 1HB LYS 14 -13.086 8.370 0.257 114 1HG LYS 14 2HG LYS 14 -12.895 9.048 2.426 115 2HG LYS 14 1HG LYS 14 -11.229 8.497 2.268 116 1HD LYS 14 2HD LYS 14 -11.169 10.740 3.158 117 2HD LYS 14 1HD LYS 14 -10.617 10.817 1.485 118 1HE LYS 14 2HE LYS 14 -12.436 12.029 0.808 119 2HE LYS 14 1HE LYS 14 -13.542 11.145 1.858 120 1HZ LYS 14 1HZ LYS 14 -12.800 13.638 2.319 121 2HZ LYS 14 2HZ LYS 14 -11.574 12.832 3.176 122 3HZ LYS 14 3HZ LYS 14 -13.207 12.557 3.561 123 H ASP 15 H ASP 15 -9.218 7.505 -1.712 124 HA ASP 15 HA ASP 15 -10.447 8.763 -4.131 125 1HB ASP 15 2HB ASP 15 -7.677 8.609 -3.110 126 2HB ASP 15 1HB ASP 15 -7.839 8.343 -4.847 127 H GLY 16 H GLY 16 -9.086 5.658 -2.901 128 1HA GLY 16 2HA GLY 16 -9.747 3.600 -3.969 129 2HA GLY 16 1HA GLY 16 -9.985 4.493 -5.481 130 H LYS 17 H LYS 17 -7.423 5.591 -3.674 131 HA LYS 17 HA LYS 17 -5.401 3.782 -4.723 132 1HB LYS 17 2HB LYS 17 -5.293 6.694 -5.443 133 2HB LYS 17 1HB LYS 17 -4.118 5.437 -5.802 134 1HG LYS 17 2HG LYS 17 -5.226 5.406 -7.819 135 2HG LYS 17 1HG LYS 17 -6.269 4.297 -6.941 136 1HD LYS 17 2HD LYS 17 -7.778 5.850 -7.886 137 2HD LYS 17 1HD LYS 17 -7.582 6.420 -6.224 138 1HE LYS 17 2HE LYS 17 -7.203 8.409 -7.338 139 2HE LYS 17 1HE LYS 17 -5.556 7.777 -7.335 140 1HZ LYS 17 1HZ LYS 17 -5.777 8.178 -9.536 141 2HZ LYS 17 2HZ LYS 17 -7.466 7.995 -9.530 142 3HZ LYS 17 3HZ LYS 17 -6.460 6.626 -9.522 143 H LEU 18 H LEU 18 -3.537 3.923 -3.668 144 HA LEU 18 HA LEU 18 -3.442 5.695 -1.280 145 1HB LEU 18 2HB LEU 18 -2.929 2.892 -1.639 146 2HB LEU 18 1HB LEU 18 -1.672 3.736 -0.823 147 HG LEU 18 HG LEU 18 -3.319 4.728 0.679 148 1HD1 LEU 18 1HD1 LEU 18 -5.251 4.408 -0.884 149 2HD1 LEU 18 2HD1 LEU 18 -5.527 3.938 0.793 150 3HD1 LEU 18 3HD1 LEU 18 -5.200 2.707 -0.418 151 1HD2 LEU 18 1HD2 LEU 18 -3.572 1.761 0.722 152 2HD2 LEU 18 2HD2 LEU 18 -3.300 2.863 2.060 153 3HD2 LEU 18 3HD2 LEU 18 -1.996 2.516 0.933 154 H SER 19 H SER 19 -1.421 6.380 -0.628 155 HA SER 19 HA SER 19 0.515 6.709 -2.863 156 1HB SER 19 2HB SER 19 0.459 8.222 -0.278 157 2HB SER 19 1HB SER 19 1.229 8.700 -1.790 158 HG SER 19 HG SER 19 -0.959 8.752 -2.666 159 H LEU 20 H LEU 20 2.754 6.326 -2.301 160 HA LEU 20 HA LEU 20 3.253 4.081 -0.717 161 1HB LEU 20 2HB LEU 20 4.812 5.302 -2.355 162 2HB LEU 20 1HB LEU 20 5.161 6.406 -1.036 163 HG LEU 20 HG LEU 20 6.611 4.230 -1.517 164 1HD1 LEU 20 1HD1 LEU 20 7.324 5.773 0.072 165 2HD1 LEU 20 2HD1 LEU 20 7.125 4.282 0.992 166 3HD1 LEU 20 3HD1 LEU 20 5.893 5.540 1.066 167 1HD2 LEU 20 1HD2 LEU 20 4.866 3.218 0.699 168 2HD2 LEU 20 2HD2 LEU 20 5.997 2.326 -0.314 169 3HD2 LEU 20 3HD2 LEU 20 4.467 2.849 -0.962 170 H ASP 21 H ASP 21 2.674 7.273 -0.013 171 HA ASP 21 HA ASP 21 3.694 7.445 2.668 172 1HB ASP 21 2HB ASP 21 2.831 9.353 1.097 173 2HB ASP 21 1HB ASP 21 1.245 8.949 1.753 174 H GLU 22 H GLU 22 0.385 6.561 1.360 175 HA GLU 22 HA GLU 22 -0.622 6.072 3.996 176 1HB GLU 22 2HB GLU 22 -1.634 6.098 1.336 177 2HB GLU 22 1HB GLU 22 -2.020 4.553 2.068 178 1HG GLU 22 2HG GLU 22 -2.654 7.270 3.214 179 2HG GLU 22 1HG GLU 22 -3.805 6.135 2.518 180 H PHE 23 H PHE 23 0.712 4.048 1.447 181 HA PHE 23 HA PHE 23 0.319 1.537 2.771 182 1HB PHE 23 2HB PHE 23 0.584 1.732 0.348 183 2HB PHE 23 1HB PHE 23 2.204 2.325 0.608 184 HD1 PHE 23 1HD PHE 23 3.900 0.790 0.252 185 HD2 PHE 23 2HD PHE 23 0.139 -0.554 1.813 186 HE1 PHE 23 1HE PHE 23 4.764 -1.534 0.322 187 HE2 PHE 23 2HE PHE 23 0.997 -2.879 1.888 188 HZ PHE 23 HZ PHE 23 3.310 -3.370 1.141 189 H ARG 24 H ARG 24 2.741 4.088 2.909 190 HA ARG 24 HA ARG 24 4.795 2.429 4.202 191 1HB ARG 24 2HB ARG 24 5.543 4.306 2.871 192 2HB ARG 24 1HB ARG 24 4.499 5.415 3.764 193 1HG ARG 24 2HG ARG 24 5.771 4.951 5.810 194 2HG ARG 24 1HG ARG 24 6.817 3.849 4.921 195 1HD ARG 24 2HD ARG 24 7.800 6.135 5.188 196 2HD ARG 24 1HD ARG 24 7.584 5.656 3.506 197 HE ARG 24 HE ARG 24 5.246 7.009 4.113 198 1HH1 ARG 24 1HH2 ARG 24 8.630 7.623 4.349 199 2HH1 ARG 24 2HH2 ARG 24 8.473 9.333 4.123 200 1HH2 ARG 24 1HH1 ARG 24 5.018 9.240 3.820 201 2HH2 ARG 24 2HH1 ARG 24 6.426 10.249 3.824 202 H GLU 25 H GLU 25 2.203 4.558 5.004 203 HA GLU 25 HA GLU 25 2.805 4.673 7.888 204 1HB GLU 25 2HB GLU 25 1.330 6.354 6.533 205 2HB GLU 25 1HB GLU 25 0.071 5.125 6.657 206 1HG GLU 25 2HG GLU 25 0.157 5.192 9.074 207 2HG GLU 25 1HG GLU 25 1.563 6.255 9.039 208 H VAL 26 H VAL 26 0.913 2.927 5.600 209 HA VAL 26 HA VAL 26 -0.575 1.123 7.235 210 HB VAL 26 HB VAL 26 0.359 1.462 4.467 211 1HG1 VAL 26 1HG1 VAL 26 -0.619 -0.827 3.852 212 2HG1 VAL 26 2HG1 VAL 26 -0.290 -1.248 5.529 213 3HG1 VAL 26 3HG1 VAL 26 1.032 -0.761 4.467 214 1HG2 VAL 26 1HG2 VAL 26 -1.787 2.267 4.975 215 2HG2 VAL 26 2HG2 VAL 26 -2.236 0.730 5.700 216 3HG2 VAL 26 3HG2 VAL 26 -1.986 0.842 3.957 217 H ALA 27 H ALA 27 2.491 0.919 5.556 218 HA ALA 27 HA ALA 27 3.092 -1.745 6.394 219 1HB ALA 27 1HB ALA 27 5.253 -1.353 5.292 220 2HB ALA 27 2HB ALA 27 4.914 0.376 5.233 221 3HB ALA 27 3HB ALA 27 3.936 -0.746 4.289 222 H LEU 28 H LEU 28 4.147 1.443 7.391 223 HA LEU 28 HA LEU 28 6.027 0.472 9.386 224 1HB LEU 28 2HB LEU 28 4.810 3.143 8.762 225 2HB LEU 28 1HB LEU 28 5.710 2.917 10.259 226 HG LEU 28 HG LEU 28 7.733 2.544 9.162 227 1HD1 LEU 28 1HD1 LEU 28 7.763 2.096 6.615 228 2HD1 LEU 28 2HD1 LEU 28 6.058 1.710 6.793 229 3HD1 LEU 28 3HD1 LEU 28 7.269 0.772 7.662 230 1HD2 LEU 28 1HD2 LEU 28 6.023 4.567 7.797 231 2HD2 LEU 28 2HD2 LEU 28 7.563 4.178 7.034 232 3HD2 LEU 28 3HD2 LEU 28 7.526 4.778 8.688 233 H ALA 29 H ALA 29 2.596 1.286 9.375 234 HA ALA 29 HA ALA 29 2.343 1.384 12.248 235 1HB ALA 29 1HB ALA 29 -0.107 1.274 11.681 236 2HB ALA 29 2HB ALA 29 0.353 1.075 9.990 237 3HB ALA 29 3HB ALA 29 0.768 2.559 10.849 238 H PHE 30 H PHE 30 1.064 -1.022 9.891 239 HA PHE 30 HA PHE 30 0.641 -2.922 12.094 240 1HB PHE 30 2HB PHE 30 0.032 -2.928 9.143 241 2HB PHE 30 1HB PHE 30 -0.131 -4.401 10.106 242 HD1 PHE 30 1HD PHE 30 -2.181 -4.811 11.143 243 HD2 PHE 30 2HD PHE 30 -1.057 -0.762 10.257 244 HE1 PHE 30 1HE PHE 30 -4.378 -4.017 11.977 245 HE2 PHE 30 2HE PHE 30 -3.254 0.031 11.090 246 HZ PHE 30 HZ PHE 30 -4.916 -1.597 11.950 247 H SER 31 H SER 31 2.684 -2.794 9.165 248 HA SER 31 HA SER 31 4.222 -5.115 10.277 249 1HB SER 31 2HB SER 31 4.308 -4.161 7.418 250 2HB SER 31 1HB SER 31 4.790 -5.727 8.065 251 HG SER 31 HG SER 31 2.353 -4.850 7.255 252 HA PRO 32 HA PRO 32 6.767 -1.160 10.583 253 1HB PRO 32 2HB PRO 32 7.993 -2.040 12.944 254 2HB PRO 32 1HB PRO 32 6.605 -0.936 12.849 255 1HG PRO 32 2HG PRO 32 6.670 -3.858 13.393 256 2HG PRO 32 1HG PRO 32 5.604 -2.603 14.055 257 1HD PRO 32 2HD PRO 32 4.759 -4.327 12.154 258 2HD PRO 32 1HD PRO 32 4.181 -2.646 12.209 259 H TYR 33 H TYR 33 7.448 -4.587 10.529 260 HA TYR 33 HA TYR 33 10.318 -4.340 10.435 261 1HB TYR 33 2HB TYR 33 8.705 -6.583 9.213 262 2HB TYR 33 1HB TYR 33 10.320 -6.655 9.930 263 HD1 TYR 33 1HD TYR 33 6.807 -7.042 10.533 264 HD2 TYR 33 2HD TYR 33 10.528 -6.065 12.445 265 HE1 TYR 33 1HE TYR 33 5.811 -7.567 12.742 266 HE2 TYR 33 2HE TYR 33 9.531 -6.592 14.654 267 HH TYR 33 HH TYR 33 6.097 -7.341 14.986 268 H PHE 34 H PHE 34 7.833 -3.654 8.148 269 HA PHE 34 HA PHE 34 9.310 -4.290 5.749 270 1HB PHE 34 2HB PHE 34 6.844 -2.765 6.375 271 2HB PHE 34 1HB PHE 34 7.771 -2.090 5.064 272 HD1 PHE 34 1HD PHE 34 6.047 -5.123 6.246 273 HD2 PHE 34 2HD PHE 34 7.929 -3.176 2.919 274 HE1 PHE 34 1HE PHE 34 5.152 -6.866 4.726 275 HE2 PHE 34 2HE PHE 34 7.038 -4.917 1.395 276 HZ PHE 34 HZ PHE 34 5.649 -6.762 2.299 277 H THR 35 H THR 35 11.105 -3.428 5.109 278 HA THR 35 HA THR 35 12.076 -0.993 6.365 279 HB THR 35 HB THR 35 13.691 -1.615 4.122 280 HG1 THR 35 1HG THR 35 13.373 -3.662 3.856 281 1HG2 THR 35 1HG2 THR 35 14.395 -0.808 6.308 282 2HG2 THR 35 2HG2 THR 35 15.228 -2.311 5.912 283 3HG2 THR 35 3HG2 THR 35 13.876 -2.323 7.047 284 H GLN 36 H GLN 36 12.238 0.994 5.451 285 HA GLN 36 HA GLN 36 10.275 1.868 3.694 286 1HB GLN 36 2HB GLN 36 11.867 3.169 5.229 287 2HB GLN 36 1HB GLN 36 13.013 3.109 3.887 288 1HG GLN 36 2HG GLN 36 11.591 5.185 3.910 289 2HG GLN 36 1HG GLN 36 11.460 4.261 2.424 290 1HE2 GLN 36 1HE2 GLN 36 9.401 3.481 1.861 291 2HE2 GLN 36 2HE2 GLN 36 8.025 3.637 2.837 292 H GLU 37 H GLU 37 13.410 0.519 2.990 293 HA GLU 37 HA GLU 37 13.421 1.298 0.173 294 1HB GLU 37 2HB GLU 37 14.975 -0.808 1.715 295 2HB GLU 37 1HB GLU 37 15.230 -0.473 0.002 296 1HG GLU 37 2HG GLU 37 15.756 1.875 0.529 297 2HG GLU 37 1HG GLU 37 15.491 1.554 2.243 298 H ASP 38 H ASP 38 12.371 -1.556 2.007 299 HA ASP 38 HA ASP 38 11.714 -3.100 -0.367 300 1HB ASP 38 2HB ASP 38 10.870 -3.357 2.535 301 2HB ASP 38 1HB ASP 38 10.425 -4.517 1.279 302 H ILE 39 H ILE 39 9.999 -0.886 1.776 303 HA ILE 39 HA ILE 39 7.369 -1.360 0.673 304 HB ILE 39 HB ILE 39 8.385 1.160 2.021 305 1HG1 ILE 39 2HG1 ILE 39 7.024 -1.126 3.423 306 2HG1 ILE 39 1HG1 ILE 39 8.776 -1.123 3.216 307 1HG2 ILE 39 1HG2 ILE 39 6.229 1.822 1.956 308 2HG2 ILE 39 2HG2 ILE 39 5.702 0.309 2.692 309 3HG2 ILE 39 3HG2 ILE 39 5.876 0.424 0.944 310 1HD1 ILE 39 1HD1 ILE 39 7.300 0.190 5.237 311 2HD1 ILE 39 2HD1 ILE 39 7.869 1.471 4.170 312 3HD1 ILE 39 3HD1 ILE 39 9.022 0.361 4.909 313 H VAL 40 H VAL 40 9.842 1.109 0.137 314 HA VAL 40 HA VAL 40 8.347 2.446 -1.958 315 HB VAL 40 HB VAL 40 10.435 3.695 -2.272 316 1HG1 VAL 40 1HG1 VAL 40 10.566 4.280 0.314 317 2HG1 VAL 40 2HG1 VAL 40 9.148 3.231 0.367 318 3HG1 VAL 40 3HG1 VAL 40 9.140 4.673 -0.643 319 1HG2 VAL 40 1HG2 VAL 40 12.261 2.401 -1.945 320 2HG2 VAL 40 2HG2 VAL 40 11.463 1.421 -0.721 321 3HG2 VAL 40 3HG2 VAL 40 12.112 3.009 -0.298 322 H LYS 41 H LYS 41 11.037 0.067 -1.927 323 HA LYS 41 HA LYS 41 11.487 0.150 -4.743 324 1HB LYS 41 2HB LYS 41 12.882 -1.171 -3.102 325 2HB LYS 41 1HB LYS 41 11.533 -2.307 -2.938 326 1HG LYS 41 2HG LYS 41 11.644 -2.763 -5.370 327 2HG LYS 41 1HG LYS 41 13.011 -1.655 -5.511 328 1HD LYS 41 2HD LYS 41 14.321 -3.048 -3.967 329 2HD LYS 41 1HD LYS 41 12.954 -4.148 -3.785 330 1HE LYS 41 2HE LYS 41 14.494 -5.086 -5.418 331 2HE LYS 41 1HE LYS 41 13.031 -4.569 -6.254 332 1HZ LYS 41 1HZ LYS 41 15.430 -3.892 -7.080 333 2HZ LYS 41 2HZ LYS 41 15.181 -2.614 -5.987 334 3HZ LYS 41 3HZ LYS 41 14.092 -2.865 -7.268 335 H PHE 42 H PHE 42 9.495 -2.035 -2.791 336 HA PHE 42 HA PHE 42 8.065 -3.198 -4.921 337 1HB PHE 42 2HB PHE 42 8.201 -4.125 -2.655 338 2HB PHE 42 1HB PHE 42 7.234 -2.786 -2.035 339 HD1 PHE 42 1HD PHE 42 7.015 -5.060 -5.034 340 HD2 PHE 42 2HD PHE 42 5.054 -3.430 -1.577 341 HE1 PHE 42 1HE PHE 42 4.951 -6.290 -5.627 342 HE2 PHE 42 2HE PHE 42 2.998 -4.665 -2.166 343 HZ PHE 42 HZ PHE 42 2.944 -6.096 -4.194 344 H PHE 43 H PHE 43 7.060 -0.437 -2.789 345 HA PHE 43 HA PHE 43 4.526 -0.053 -4.079 346 1HB PHE 43 2HB PHE 43 5.022 1.050 -2.001 347 2HB PHE 43 1HB PHE 43 6.425 1.852 -2.703 348 HD1 PHE 43 1HD PHE 43 2.923 2.077 -2.059 349 HD2 PHE 43 2HD PHE 43 6.010 3.485 -4.677 350 HE1 PHE 43 1HE PHE 43 1.536 4.030 -2.654 351 HE2 PHE 43 2HE PHE 43 4.595 5.408 -5.281 352 HZ PHE 43 HZ PHE 43 2.368 5.685 -4.280 353 H GLU 44 H GLU 44 7.679 1.392 -4.597 354 HA GLU 44 HA GLU 44 7.013 2.968 -6.910 355 1HB GLU 44 2HB GLU 44 9.633 1.578 -6.231 356 2HB GLU 44 1HB GLU 44 9.439 2.783 -7.499 357 1HG GLU 44 2HG GLU 44 8.515 3.463 -4.726 358 2HG GLU 44 1HG GLU 44 10.244 3.518 -5.086 359 H GLU 45 H GLU 45 7.744 -0.416 -6.413 360 HA GLU 45 HA GLU 45 7.862 -1.161 -9.214 361 1HB GLU 45 2HB GLU 45 8.726 -2.348 -6.973 362 2HB GLU 45 1HB GLU 45 7.148 -3.132 -7.088 363 1HG GLU 45 2HG GLU 45 9.263 -3.031 -9.254 364 2HG GLU 45 1HG GLU 45 8.875 -4.441 -8.268 365 H ILE 46 H ILE 46 5.368 -1.236 -6.675 366 HA ILE 46 HA ILE 46 3.501 -2.597 -8.481 367 HB ILE 46 HB ILE 46 3.745 -2.560 -5.748 368 1HG1 ILE 46 2HG1 ILE 46 1.431 -3.629 -5.814 369 2HG1 ILE 46 1HG1 ILE 46 1.375 -3.184 -7.519 370 1HG2 ILE 46 1HG2 ILE 46 1.285 -0.942 -6.370 371 2HG2 ILE 46 2HG2 ILE 46 2.782 -0.235 -5.759 372 3HG2 ILE 46 3HG2 ILE 46 1.899 -1.410 -4.787 373 1HD1 ILE 46 1HD1 ILE 46 2.660 -4.945 -8.088 374 2HD1 ILE 46 2HD1 ILE 46 2.520 -5.509 -6.424 375 3HD1 ILE 46 3HD1 ILE 46 3.888 -4.505 -6.901 376 H ASP 47 H ASP 47 4.061 0.700 -7.308 377 HA ASP 47 HA ASP 47 1.589 1.783 -8.341 378 1HB ASP 47 2HB ASP 47 4.324 2.993 -7.823 379 2HB ASP 47 1HB ASP 47 2.962 3.941 -8.427 380 H VAL 48 H VAL 48 1.490 0.525 -10.390 381 HA VAL 48 HA VAL 48 3.595 0.784 -12.350 382 HB VAL 48 HB VAL 48 2.145 -1.175 -12.153 383 1HG1 VAL 48 1HG1 VAL 48 0.136 0.473 -11.554 384 2HG1 VAL 48 2HG1 VAL 48 -0.166 -1.103 -12.282 385 3HG1 VAL 48 3HG1 VAL 48 -0.169 0.346 -13.285 386 1HG2 VAL 48 1HG2 VAL 48 1.424 0.235 -14.728 387 2HG2 VAL 48 2HG2 VAL 48 1.746 -1.481 -14.483 388 3HG2 VAL 48 3HG2 VAL 48 3.068 -0.316 -14.412 389 H ASP 49 H ASP 49 0.557 2.447 -11.795 390 HA ASP 49 HA ASP 49 0.455 3.516 -14.494 391 1HB ASP 49 2HB ASP 49 -1.685 3.613 -13.782 392 2HB ASP 49 1HB ASP 49 -1.199 3.552 -12.089 393 H GLY 50 H GLY 50 2.167 4.281 -11.669 394 1HA GLY 50 2HA GLY 50 3.787 5.868 -11.384 395 2HA GLY 50 1HA GLY 50 3.444 6.500 -12.990 396 H ASN 51 H ASN 51 0.644 6.327 -10.999 397 HA ASN 51 HA ASN 51 0.496 9.235 -10.913 398 1HB ASN 51 2HB ASN 51 -1.590 8.751 -9.521 399 2HB ASN 51 1HB ASN 51 -1.600 8.071 -11.151 400 1HD2 ASN 51 1HD2 ASN 51 0.632 6.396 -9.205 401 2HD2 ASN 51 2HD2 ASN 51 -0.355 5.082 -8.781 402 H GLY 52 H GLY 52 2.166 6.989 -9.208 403 1HA GLY 52 2HA GLY 52 3.479 7.264 -7.269 404 2HA GLY 52 1HA GLY 52 2.749 8.854 -7.063 405 H GLU 53 H GLU 53 0.597 6.191 -7.520 406 HA GLU 53 HA GLU 53 0.197 5.853 -4.602 407 1HB GLU 53 2HB GLU 53 -2.281 6.298 -6.176 408 2HB GLU 53 1HB GLU 53 -1.927 6.775 -4.521 409 1HG GLU 53 2HG GLU 53 -0.432 8.569 -5.396 410 2HG GLU 53 1HG GLU 53 -0.903 8.123 -7.037 411 H LEU 54 H LEU 54 -1.107 4.004 -4.036 412 HA LEU 54 HA LEU 54 -0.750 1.814 -5.928 413 1HB LEU 54 2HB LEU 54 -2.129 2.004 -3.253 414 2HB LEU 54 1HB LEU 54 -1.877 0.550 -4.115 415 HG LEU 54 HG LEU 54 -0.011 0.369 -2.894 416 1HD1 LEU 54 1HD1 LEU 54 0.843 0.940 -5.219 417 2HD1 LEU 54 2HD1 LEU 54 1.976 1.222 -3.914 418 3HD1 LEU 54 3HD1 LEU 54 1.098 2.575 -4.625 419 1HD2 LEU 54 1HD2 LEU 54 0.969 2.358 -1.793 420 2HD2 LEU 54 2HD2 LEU 54 -0.729 2.102 -1.454 421 3HD2 LEU 54 3HD2 LEU 54 -0.246 3.335 -2.612 422 H ASN 55 H ASN 55 -2.138 1.454 -7.471 423 HA ASN 55 HA ASN 55 -4.850 2.564 -7.406 424 1HB ASN 55 2HB ASN 55 -4.805 0.771 -9.531 425 2HB ASN 55 1HB ASN 55 -4.479 2.496 -9.631 426 1HD2 ASN 55 1HD2 ASN 55 -3.217 -0.277 -10.714 427 2HD2 ASN 55 2HD2 ASN 55 -1.561 0.068 -10.635 428 H ALA 56 H ALA 56 -6.625 0.909 -8.218 429 HA ALA 56 HA ALA 56 -7.152 -0.834 -6.026 430 1HB ALA 56 1HB ALA 56 -9.167 -1.383 -7.171 431 2HB ALA 56 2HB ALA 56 -8.484 -0.899 -8.724 432 3HB ALA 56 3HB ALA 56 -8.823 0.315 -7.491 433 H ASP 57 H ASP 57 -6.524 -1.880 -9.459 434 HA ASP 57 HA ASP 57 -6.326 -4.619 -8.769 435 1HB ASP 57 2HB ASP 57 -6.463 -3.596 -11.100 436 2HB ASP 57 1HB ASP 57 -4.731 -3.287 -10.967 437 H GLU 58 H GLU 58 -3.768 -2.140 -8.953 438 HA GLU 58 HA GLU 58 -1.645 -3.964 -8.268 439 1HB GLU 58 2HB GLU 58 -1.881 -0.947 -8.144 440 2HB GLU 58 1HB GLU 58 -0.424 -1.796 -7.644 441 1HG GLU 58 2HG GLU 58 -1.708 -2.027 -10.378 442 2HG GLU 58 1HG GLU 58 -0.309 -1.028 -9.997 443 H PHE 59 H PHE 59 -3.975 -2.085 -6.495 444 HA PHE 59 HA PHE 59 -2.862 -2.033 -3.908 445 1HB PHE 59 2HB PHE 59 -5.559 -2.032 -5.105 446 2HB PHE 59 1HB PHE 59 -5.520 -2.666 -3.488 447 HD1 PHE 59 1HD PHE 59 -6.336 0.107 -5.087 448 HD2 PHE 59 2HD PHE 59 -3.586 -1.128 -2.061 449 HE1 PHE 59 1HE PHE 59 -6.290 2.376 -4.243 450 HE2 PHE 59 2HE PHE 59 -3.544 1.177 -1.199 451 HZ PHE 59 HZ PHE 59 -4.902 2.932 -2.318 452 H THR 60 H THR 60 -4.819 -4.570 -5.519 453 HA THR 60 HA THR 60 -4.765 -6.363 -3.268 454 HB THR 60 HB THR 60 -5.710 -7.978 -4.764 455 HG1 THR 60 1HG THR 60 -4.214 -6.553 -6.595 456 1HG2 THR 60 1HG2 THR 60 -6.513 -5.220 -5.719 457 2HG2 THR 60 2HG2 THR 60 -7.094 -5.982 -4.239 458 3HG2 THR 60 3HG2 THR 60 -7.495 -6.682 -5.808 459 H SER 61 H SER 61 -2.750 -5.972 -6.149 460 HA SER 61 HA SER 61 -1.053 -8.242 -5.467 461 1HB SER 61 2HB SER 61 -1.363 -7.054 -7.778 462 2HB SER 61 1HB SER 61 -0.179 -5.899 -7.161 463 HG SER 61 HG SER 61 0.087 -8.662 -7.677 464 H CYS 62 H CYS 62 -1.396 -4.979 -4.418 465 HA CYS 62 HA CYS 62 1.359 -4.574 -3.547 466 1HB CYS 62 2HB CYS 62 -0.355 -2.723 -3.966 467 2HB CYS 62 1HB CYS 62 -1.133 -3.231 -2.466 468 HG CYS 62 HG CYS 62 1.053 -2.601 -1.171 469 H ILE 63 H ILE 63 -1.624 -5.873 -2.327 470 HA ILE 63 HA ILE 63 -0.436 -6.368 0.321 471 HB ILE 63 HB ILE 63 -3.137 -7.203 -0.762 472 1HG1 ILE 63 2HG1 ILE 63 -3.153 -4.837 -0.887 473 2HG1 ILE 63 1HG1 ILE 63 -3.871 -5.176 0.678 474 1HG2 ILE 63 1HG2 ILE 63 -2.822 -8.458 1.171 475 2HG2 ILE 63 2HG2 ILE 63 -3.564 -7.005 1.833 476 3HG2 ILE 63 3HG2 ILE 63 -1.818 -7.229 1.937 477 1HD1 ILE 63 1HD1 ILE 63 -1.497 -4.966 1.627 478 2HD1 ILE 63 2HD1 ILE 63 -2.284 -3.478 1.103 479 3HD1 ILE 63 3HD1 ILE 63 -1.072 -4.240 0.075 480 H GLU 64 H GLU 64 -1.308 -8.176 -2.688 481 HA GLU 64 HA GLU 64 -1.047 -10.747 -1.735 482 1HB GLU 64 2HB GLU 64 -1.530 -10.047 -4.117 483 2HB GLU 64 1HB GLU 64 0.193 -9.711 -4.299 484 1HG GLU 64 2HG GLU 64 0.762 -12.014 -3.849 485 2HG GLU 64 1HG GLU 64 -0.907 -12.393 -3.420 486 H LYS 65 H LYS 65 1.444 -8.208 -2.034 487 HA LYS 65 HA LYS 65 3.737 -9.880 -2.022 488 1HB LYS 65 2HB LYS 65 3.504 -7.259 -1.837 489 2HB LYS 65 1HB LYS 65 3.542 -7.566 -0.099 490 1HG LYS 65 2HG LYS 65 5.710 -8.480 -0.180 491 2HG LYS 65 1HG LYS 65 5.611 -8.785 -1.914 492 1HD LYS 65 2HD LYS 65 5.908 -6.531 -2.461 493 2HD LYS 65 1HD LYS 65 5.452 -5.981 -0.850 494 1HE LYS 65 2HE LYS 65 7.985 -7.501 -1.561 495 2HE LYS 65 1HE LYS 65 7.899 -5.779 -1.181 496 1HZ LYS 65 1HZ LYS 65 6.610 -7.155 0.867 497 2HZ LYS 65 2HZ LYS 65 8.080 -6.305 0.946 498 3HZ LYS 65 3HZ LYS 65 8.073 -7.964 0.585 499 H MET 66 H MET 66 1.144 -9.768 0.109 500 HA MET 66 HA MET 66 2.215 -11.827 1.825 501 1HB MET 66 2HB MET 66 1.474 -10.410 3.888 502 2HB MET 66 1HB MET 66 3.056 -10.066 3.186 503 1HG MET 66 2HG MET 66 2.210 -8.158 2.002 504 2HG MET 66 1HG MET 66 0.542 -8.586 2.379 505 1HE MET 66 1HE MET 66 -0.665 -7.075 4.140 506 2HE MET 66 2HE MET 66 -0.198 -7.503 5.785 507 3HE MET 66 3HE MET 66 -0.428 -8.772 4.584 508 H LEU 67 H LEU 67 0.133 -11.831 3.654 509 HA LEU 67 HA LEU 67 -2.148 -12.280 3.877 510 1HB LEU 67 2HB LEU 67 -2.172 -9.880 2.780 511 2HB LEU 67 1HB LEU 67 -2.711 -10.752 1.347 512 HG LEU 67 HG LEU 67 -4.052 -10.699 4.068 513 1HD1 LEU 67 1HD1 LEU 67 -5.979 -9.913 2.581 514 2HD1 LEU 67 2HD1 LEU 67 -4.776 -9.693 1.313 515 3HD1 LEU 67 3HD1 LEU 67 -4.654 -8.774 2.813 516 1HD2 LEU 67 1HD2 LEU 67 -4.288 -12.953 3.301 517 2HD2 LEU 67 2HD2 LEU 67 -4.539 -12.433 1.634 518 3HD2 LEU 67 3HD2 LEU 67 -5.784 -12.140 2.846 Start of MODEL 2 1 HA SER 1 HA SER 1 -9.270 -12.691 1.411 2 1HB SER 1 2HB SER 1 -6.881 -11.998 1.939 3 2HB SER 1 1HB SER 1 -7.077 -12.949 0.469 4 HG SER 1 HG SER 1 -5.776 -10.909 0.401 5 H SER 2 H SER 2 -7.606 -9.556 1.198 6 HA SER 2 HA SER 2 -9.655 -8.105 2.641 7 1HB SER 2 2HB SER 2 -7.275 -8.248 4.374 8 2HB SER 2 1HB SER 2 -8.981 -8.288 4.802 9 HG SER 2 HG SER 2 -7.244 -10.368 4.113 10 H ALA 3 H ALA 3 -7.606 -7.947 0.378 11 HA ALA 3 HA ALA 3 -5.794 -5.829 1.234 12 1HB ALA 3 1HB ALA 3 -5.086 -7.319 -0.541 13 2HB ALA 3 2HB ALA 3 -5.259 -5.691 -1.199 14 3HB ALA 3 3HB ALA 3 -6.505 -6.901 -1.502 15 H LYS 4 H LYS 4 -8.899 -6.030 -0.391 16 HA LYS 4 HA LYS 4 -8.889 -3.181 -1.074 17 1HB LYS 4 2HB LYS 4 -10.118 -4.801 -2.465 18 2HB LYS 4 1HB LYS 4 -11.111 -5.249 -1.086 19 1HG LYS 4 2HG LYS 4 -12.502 -3.695 -2.122 20 2HG LYS 4 1HG LYS 4 -11.622 -2.638 -1.018 21 1HD LYS 4 2HD LYS 4 -9.939 -2.298 -2.920 22 2HD LYS 4 1HD LYS 4 -11.133 -3.060 -3.971 23 1HE LYS 4 2HE LYS 4 -11.445 -0.512 -2.369 24 2HE LYS 4 1HE LYS 4 -11.509 -0.697 -4.122 25 1HZ LYS 4 1HZ LYS 4 -13.442 -2.284 -3.621 26 2HZ LYS 4 2HZ LYS 4 -13.723 -0.611 -3.512 27 3HZ LYS 4 3HZ LYS 4 -13.489 -1.530 -2.101 28 H ARG 5 H ARG 5 -10.098 -5.301 1.450 29 HA ARG 5 HA ARG 5 -11.724 -3.383 2.841 30 1HB ARG 5 2HB ARG 5 -11.634 -5.922 3.191 31 2HB ARG 5 1HB ARG 5 -10.139 -5.636 4.091 32 1HG ARG 5 2HG ARG 5 -11.842 -5.647 5.749 33 2HG ARG 5 1HG ARG 5 -11.491 -3.941 5.476 34 1HD ARG 5 2HD ARG 5 -13.672 -3.614 4.991 35 2HD ARG 5 1HD ARG 5 -13.493 -4.665 3.588 36 HE ARG 5 HE ARG 5 -13.816 -6.429 5.699 37 1HH1 ARG 5 1HH2 ARG 5 -15.488 -3.689 4.441 38 2HH1 ARG 5 2HH2 ARG 5 -17.049 -4.246 4.939 39 1HH2 ARG 5 1HH1 ARG 5 -15.846 -7.173 6.360 40 2HH2 ARG 5 2HH1 ARG 5 -17.253 -6.218 6.026 41 H VAL 6 H VAL 6 -8.381 -4.507 3.368 42 HA VAL 6 HA VAL 6 -7.768 -2.711 5.481 43 HB VAL 6 HB VAL 6 -6.465 -4.774 4.219 44 1HG1 VAL 6 1HG1 VAL 6 -5.648 -3.611 2.344 45 2HG1 VAL 6 2HG1 VAL 6 -4.280 -3.735 3.446 46 3HG1 VAL 6 3HG1 VAL 6 -5.160 -2.218 3.305 47 1HG2 VAL 6 1HG2 VAL 6 -4.421 -3.884 5.630 48 2HG2 VAL 6 2HG2 VAL 6 -5.897 -4.400 6.442 49 3HG2 VAL 6 3HG2 VAL 6 -5.589 -2.685 6.185 50 H PHE 7 H PHE 7 -7.465 -2.421 1.989 51 HA PHE 7 HA PHE 7 -6.216 0.162 1.968 52 1HB PHE 7 2HB PHE 7 -6.199 -1.006 -0.103 53 2HB PHE 7 1HB PHE 7 -7.940 -1.267 -0.061 54 HD1 PHE 7 1HD PHE 7 -7.886 -0.345 -2.428 55 HD2 PHE 7 2HD PHE 7 -6.846 2.076 0.967 56 HE1 PHE 7 1HE PHE 7 -8.248 1.709 -3.740 57 HE2 PHE 7 2HE PHE 7 -7.251 4.099 -0.359 58 HZ PHE 7 HZ PHE 7 -7.969 3.926 -2.692 59 H GLU 8 H GLU 8 -9.702 -0.747 1.828 60 HA GLU 8 HA GLU 8 -10.743 1.859 1.678 61 1HB GLU 8 2HB GLU 8 -12.688 0.722 1.895 62 2HB GLU 8 1HB GLU 8 -11.758 -0.729 2.248 63 1HG GLU 8 2HG GLU 8 -13.337 -0.383 4.044 64 2HG GLU 8 1HG GLU 8 -11.723 -0.043 4.665 65 H LYS 9 H LYS 9 -9.462 0.099 4.453 66 HA LYS 9 HA LYS 9 -10.085 2.118 6.415 67 1HB LYS 9 2HB LYS 9 -8.724 -0.414 6.356 68 2HB LYS 9 1HB LYS 9 -7.694 0.751 7.186 69 1HG LYS 9 2HG LYS 9 -9.172 -0.295 8.816 70 2HG LYS 9 1HG LYS 9 -9.644 1.394 8.613 71 1HD LYS 9 2HD LYS 9 -11.722 0.384 8.433 72 2HD LYS 9 1HD LYS 9 -11.234 0.367 6.738 73 1HE LYS 9 2HE LYS 9 -11.941 -1.848 7.121 74 2HE LYS 9 1HE LYS 9 -10.189 -1.950 7.288 75 1HZ LYS 9 1HZ LYS 9 -12.247 -1.926 9.404 76 2HZ LYS 9 2HZ LYS 9 -10.640 -1.492 9.746 77 3HZ LYS 9 3HZ LYS 9 -10.995 -3.043 9.151 78 H PHE 10 H PHE 10 -7.301 1.634 4.266 79 HA PHE 10 HA PHE 10 -5.933 3.968 5.446 80 1HB PHE 10 2HB PHE 10 -5.105 2.375 3.035 81 2HB PHE 10 1HB PHE 10 -4.092 3.392 4.062 82 HD1 PHE 10 1HD PHE 10 -4.390 0.128 3.356 83 HD2 PHE 10 2HD PHE 10 -4.864 2.701 6.767 84 HE1 PHE 10 1HE PHE 10 -3.915 -1.776 4.880 85 HE2 PHE 10 2HE PHE 10 -4.404 0.795 8.275 86 HZ PHE 10 HZ PHE 10 -3.931 -1.445 7.330 87 H ASP 11 H ASP 11 -8.173 3.355 2.870 88 HA ASP 11 HA ASP 11 -7.367 5.332 1.035 89 1HB ASP 11 2HB ASP 11 -9.697 5.491 0.359 90 2HB ASP 11 1HB ASP 11 -9.370 3.805 0.769 91 H LYS 12 H LYS 12 -6.320 6.765 2.427 92 HA LYS 12 HA LYS 12 -7.845 8.471 4.254 93 1HB LYS 12 2HB LYS 12 -5.756 8.602 5.099 94 2HB LYS 12 1HB LYS 12 -5.120 7.774 3.678 95 1HG LYS 12 2HG LYS 12 -4.963 9.900 2.475 96 2HG LYS 12 1HG LYS 12 -5.646 10.749 3.865 97 1HD LYS 12 2HD LYS 12 -3.711 10.607 5.077 98 2HD LYS 12 1HD LYS 12 -3.343 8.994 4.460 99 1HE LYS 12 2HE LYS 12 -2.332 9.830 2.513 100 2HE LYS 12 1HE LYS 12 -3.145 11.389 2.644 101 1HZ LYS 12 1HZ LYS 12 -1.361 10.601 4.819 102 2HZ LYS 12 2HZ LYS 12 -1.674 12.141 4.176 103 3HZ LYS 12 3HZ LYS 12 -0.645 11.068 3.353 104 H ASN 13 H ASN 13 -7.333 8.254 0.973 105 HA ASN 13 HA ASN 13 -8.008 11.141 0.543 106 1HB ASN 13 2HB ASN 13 -7.063 10.653 -1.825 107 2HB ASN 13 1HB ASN 13 -5.903 10.860 -0.509 108 1HD2 ASN 13 1HD2 ASN 13 -4.270 9.442 -1.355 109 2HD2 ASN 13 2HD2 ASN 13 -4.510 7.770 -1.526 110 H LYS 14 H LYS 14 -9.479 8.429 0.909 111 HA LYS 14 HA LYS 14 -11.160 7.140 -0.312 112 1HB LYS 14 2HB LYS 14 -12.345 9.913 -0.535 113 2HB LYS 14 1HB LYS 14 -13.168 8.387 -0.211 114 1HG LYS 14 2HG LYS 14 -11.856 8.257 1.957 115 2HG LYS 14 1HG LYS 14 -11.336 9.915 1.649 116 1HD LYS 14 2HD LYS 14 -13.612 10.715 1.692 117 2HD LYS 14 1HD LYS 14 -14.243 9.069 1.747 118 1HE LYS 14 2HE LYS 14 -13.256 8.717 3.949 119 2HE LYS 14 1HE LYS 14 -12.491 10.306 3.890 120 1HZ LYS 14 1HZ LYS 14 -15.404 10.070 3.557 121 2HZ LYS 14 2HZ LYS 14 -14.491 11.381 4.134 122 3HZ LYS 14 3HZ LYS 14 -14.732 10.013 5.113 123 H ASP 15 H ASP 15 -9.193 7.558 -1.989 124 HA ASP 15 HA ASP 15 -10.346 8.733 -4.477 125 1HB ASP 15 2HB ASP 15 -7.527 8.311 -3.514 126 2HB ASP 15 1HB ASP 15 -7.856 8.478 -5.242 127 H GLY 16 H GLY 16 -9.012 5.656 -3.142 128 1HA GLY 16 2HA GLY 16 -9.664 3.572 -4.156 129 2HA GLY 16 1HA GLY 16 -9.887 4.423 -5.694 130 H LYS 17 H LYS 17 -7.339 5.548 -3.857 131 HA LYS 17 HA LYS 17 -5.318 3.712 -4.849 132 1HB LYS 17 2HB LYS 17 -5.136 6.606 -5.626 133 2HB LYS 17 1HB LYS 17 -4.010 5.304 -5.974 134 1HG LYS 17 2HG LYS 17 -5.134 5.332 -7.989 135 2HG LYS 17 1HG LYS 17 -6.170 4.217 -7.111 136 1HD LYS 17 2HD LYS 17 -7.699 5.770 -8.002 137 2HD LYS 17 1HD LYS 17 -7.453 6.360 -6.356 138 1HE LYS 17 2HE LYS 17 -7.130 8.325 -7.552 139 2HE LYS 17 1HE LYS 17 -5.475 7.717 -7.489 140 1HZ LYS 17 1HZ LYS 17 -5.612 8.000 -9.702 141 2HZ LYS 17 2HZ LYS 17 -7.307 7.889 -9.737 142 3HZ LYS 17 3HZ LYS 17 -6.362 6.479 -9.659 143 H LEU 18 H LEU 18 -3.458 3.882 -3.804 144 HA LEU 18 HA LEU 18 -3.359 5.695 -1.444 145 1HB LEU 18 2HB LEU 18 -2.869 2.875 -1.738 146 2HB LEU 18 1HB LEU 18 -1.617 3.728 -0.929 147 HG LEU 18 HG LEU 18 -3.269 4.759 0.537 148 1HD1 LEU 18 1HD1 LEU 18 -5.488 4.009 0.644 149 2HD1 LEU 18 2HD1 LEU 18 -5.167 2.736 -0.526 150 3HD1 LEU 18 3HD1 LEU 18 -5.188 4.424 -1.044 151 1HD2 LEU 18 1HD2 LEU 18 -3.545 1.796 0.626 152 2HD2 LEU 18 2HD2 LEU 18 -3.278 2.916 1.951 153 3HD2 LEU 18 3HD2 LEU 18 -1.965 2.545 0.839 154 H SER 19 H SER 19 -1.334 6.359 -0.795 155 HA SER 19 HA SER 19 0.638 6.577 -3.013 156 1HB SER 19 2HB SER 19 0.679 8.157 -0.484 157 2HB SER 19 1HB SER 19 1.346 8.598 -2.054 158 HG SER 19 HG SER 19 -1.247 8.200 -2.369 159 H LEU 20 H LEU 20 2.853 6.117 -2.415 160 HA LEU 20 HA LEU 20 3.241 3.912 -0.746 161 1HB LEU 20 2HB LEU 20 4.904 4.923 -2.373 162 2HB LEU 20 1HB LEU 20 5.213 6.177 -1.182 163 HG LEU 20 HG LEU 20 6.746 4.092 -1.276 164 1HD1 LEU 20 1HD1 LEU 20 6.387 4.132 1.452 165 2HD1 LEU 20 2HD1 LEU 20 5.772 5.697 0.930 166 3HD1 LEU 20 3HD1 LEU 20 7.413 5.217 0.523 167 1HD2 LEU 20 1HD2 LEU 20 4.560 2.645 -1.049 168 2HD2 LEU 20 2HD2 LEU 20 4.790 2.935 0.656 169 3HD2 LEU 20 3HD2 LEU 20 6.041 2.130 -0.289 170 H ASP 21 H ASP 21 2.745 7.136 -0.162 171 HA ASP 21 HA ASP 21 3.736 7.356 2.528 172 1HB ASP 21 2HB ASP 21 2.991 9.243 0.856 173 2HB ASP 21 1HB ASP 21 1.391 8.968 1.542 174 H GLU 22 H GLU 22 0.381 6.616 1.212 175 HA GLU 22 HA GLU 22 -0.668 6.281 3.856 176 1HB GLU 22 2HB GLU 22 -1.665 6.194 1.187 177 2HB GLU 22 1HB GLU 22 -2.081 4.690 1.986 178 1HG GLU 22 2HG GLU 22 -2.691 7.465 2.994 179 2HG GLU 22 1HG GLU 22 -3.847 6.307 2.352 180 H PHE 23 H PHE 23 0.667 4.156 1.420 181 HA PHE 23 HA PHE 23 0.239 1.707 2.806 182 1HB PHE 23 2HB PHE 23 0.607 1.882 0.368 183 2HB PHE 23 1HB PHE 23 2.252 2.362 0.703 184 HD1 PHE 23 1HD PHE 23 3.904 0.731 0.780 185 HD2 PHE 23 2HD PHE 23 -0.165 -0.350 1.578 186 HE1 PHE 23 1HE PHE 23 4.580 -1.650 0.963 187 HE2 PHE 23 2HE PHE 23 0.501 -2.730 1.765 188 HZ PHE 23 HZ PHE 23 2.874 -3.383 1.458 189 H ARG 24 H ARG 24 2.624 4.287 3.001 190 HA ARG 24 HA ARG 24 4.625 2.661 4.412 191 1HB ARG 24 2HB ARG 24 4.969 4.913 3.038 192 2HB ARG 24 1HB ARG 24 4.571 5.660 4.580 193 1HG ARG 24 2HG ARG 24 6.329 3.961 5.537 194 2HG ARG 24 1HG ARG 24 6.895 3.891 3.870 195 1HD ARG 24 2HD ARG 24 8.128 5.613 5.107 196 2HD ARG 24 1HD ARG 24 7.125 6.351 3.860 197 HE ARG 24 HE ARG 24 5.510 6.393 6.107 198 1HH1 ARG 24 1HH2 ARG 24 8.706 7.406 5.306 199 2HH1 ARG 24 2HH2 ARG 24 8.708 8.733 6.421 200 1HH2 ARG 24 1HH1 ARG 24 5.493 8.118 7.567 201 2HH2 ARG 24 2HH1 ARG 24 6.888 9.135 7.701 202 H GLU 25 H GLU 25 1.902 4.657 5.106 203 HA GLU 25 HA GLU 25 2.402 4.821 8.006 204 1HB GLU 25 2HB GLU 25 0.914 6.459 6.696 205 2HB GLU 25 1HB GLU 25 -0.258 5.148 6.568 206 1HG GLU 25 2HG GLU 25 -0.995 6.219 8.503 207 2HG GLU 25 1HG GLU 25 0.068 4.980 9.171 208 H VAL 26 H VAL 26 0.668 3.009 5.650 209 HA VAL 26 HA VAL 26 -0.753 1.095 7.199 210 HB VAL 26 HB VAL 26 0.307 1.515 4.482 211 1HG1 VAL 26 1HG1 VAL 26 -0.413 -1.209 5.464 212 2HG1 VAL 26 2HG1 VAL 26 0.984 -0.714 4.505 213 3HG1 VAL 26 3HG1 VAL 26 -0.618 -0.759 3.773 214 1HG2 VAL 26 1HG2 VAL 26 -2.331 0.866 5.640 215 2HG2 VAL 26 2HG2 VAL 26 -2.045 0.815 3.900 216 3HG2 VAL 26 3HG2 VAL 26 -1.834 2.323 4.789 217 H ALA 27 H ALA 27 2.420 1.119 5.693 218 HA ALA 27 HA ALA 27 3.098 -1.537 6.547 219 1HB ALA 27 1HB ALA 27 4.924 0.625 5.474 220 2HB ALA 27 2HB ALA 27 3.962 -0.451 4.460 221 3HB ALA 27 3HB ALA 27 5.240 -1.111 5.481 222 H LEU 28 H LEU 28 4.136 1.697 7.449 223 HA LEU 28 HA LEU 28 5.949 0.898 9.538 224 1HB LEU 28 2HB LEU 28 4.511 3.463 8.898 225 2HB LEU 28 1HB LEU 28 5.410 3.306 10.403 226 HG LEU 28 HG LEU 28 7.468 3.169 9.335 227 1HD1 LEU 28 1HD1 LEU 28 7.648 2.640 6.840 228 2HD1 LEU 28 2HD1 LEU 28 5.959 2.152 6.918 229 3HD1 LEU 28 3HD1 LEU 28 7.168 1.301 7.875 230 1HD2 LEU 28 1HD2 LEU 28 7.427 4.820 7.409 231 2HD2 LEU 28 2HD2 LEU 28 6.647 5.378 8.889 232 3HD2 LEU 28 3HD2 LEU 28 5.668 4.809 7.538 233 H ALA 29 H ALA 29 2.456 1.439 9.459 234 HA ALA 29 HA ALA 29 2.160 1.444 12.340 235 1HB ALA 29 1HB ALA 29 -0.262 1.286 11.775 236 2HB ALA 29 2HB ALA 29 0.180 1.076 10.081 237 3HB ALA 29 3HB ALA 29 0.556 2.586 10.910 238 H PHE 30 H PHE 30 1.033 -0.919 9.875 239 HA PHE 30 HA PHE 30 0.664 -2.932 11.984 240 1HB PHE 30 2HB PHE 30 -0.884 -2.572 9.985 241 2HB PHE 30 1HB PHE 30 0.364 -3.351 9.007 242 HD1 PHE 30 1HD PHE 30 0.852 -5.718 9.232 243 HD2 PHE 30 2HD PHE 30 -2.077 -3.825 11.737 244 HE1 PHE 30 1HE PHE 30 0.033 -7.944 9.954 245 HE2 PHE 30 2HE PHE 30 -2.898 -6.052 12.460 246 HZ PHE 30 HZ PHE 30 -1.843 -8.111 11.568 247 H SER 31 H SER 31 2.676 -2.682 9.029 248 HA SER 31 HA SER 31 4.331 -4.931 10.114 249 1HB SER 31 2HB SER 31 3.164 -4.946 7.741 250 2HB SER 31 1HB SER 31 4.553 -3.967 7.283 251 HG SER 31 HG SER 31 4.656 -6.416 7.206 252 HA PRO 32 HA PRO 32 6.774 -0.958 10.498 253 1HB PRO 32 2HB PRO 32 7.921 -1.657 12.915 254 2HB PRO 32 1HB PRO 32 6.402 -0.749 12.751 255 1HG PRO 32 2HG PRO 32 6.827 -3.647 13.294 256 2HG PRO 32 1HG PRO 32 5.622 -2.533 13.971 257 1HD PRO 32 2HD PRO 32 4.998 -4.311 12.020 258 2HD PRO 32 1HD PRO 32 4.214 -2.720 12.135 259 H TYR 33 H TYR 33 7.605 -4.374 10.590 260 HA TYR 33 HA TYR 33 10.463 -3.964 10.601 261 1HB TYR 33 2HB TYR 33 9.262 -6.394 9.336 262 2HB TYR 33 1HB TYR 33 10.609 -6.266 10.472 263 HD1 TYR 33 1HD TYR 33 10.075 -5.605 12.900 264 HD2 TYR 33 2HD TYR 33 7.089 -6.903 10.098 265 HE1 TYR 33 1HE TYR 33 8.540 -6.125 14.778 266 HE2 TYR 33 2HE TYR 33 5.554 -7.423 11.975 267 HH TYR 33 HH TYR 33 6.406 -6.630 15.319 268 H PHE 34 H PHE 34 8.034 -3.554 8.191 269 HA PHE 34 HA PHE 34 9.637 -4.241 5.890 270 1HB PHE 34 2HB PHE 34 7.050 -2.888 6.333 271 2HB PHE 34 1HB PHE 34 7.982 -2.159 5.048 272 HD1 PHE 34 1HD PHE 34 8.624 -3.442 3.036 273 HD2 PHE 34 2HD PHE 34 6.204 -5.143 6.143 274 HE1 PHE 34 1HE PHE 34 7.994 -5.307 1.526 275 HE2 PHE 34 2HE PHE 34 5.575 -7.010 4.639 276 HZ PHE 34 HZ PHE 34 6.471 -7.091 2.330 277 H THR 35 H THR 35 11.357 -3.297 5.171 278 HA THR 35 HA THR 35 12.195 -0.766 6.333 279 HB THR 35 HB THR 35 13.861 -1.411 4.135 280 HG1 THR 35 1HG THR 35 13.939 -3.687 5.572 281 1HG2 THR 35 1HG2 THR 35 14.055 -1.963 7.094 282 2HG2 THR 35 2HG2 THR 35 14.506 -0.462 6.282 283 3HG2 THR 35 3HG2 THR 35 15.415 -1.941 5.971 284 H GLN 36 H GLN 36 12.274 1.168 5.339 285 HA GLN 36 HA GLN 36 10.297 1.881 3.520 286 1HB GLN 36 2HB GLN 36 11.764 3.351 4.997 287 2HB GLN 36 1HB GLN 36 12.977 3.242 3.721 288 1HG GLN 36 2HG GLN 36 11.456 5.260 3.561 289 2HG GLN 36 1HG GLN 36 11.524 4.276 2.114 290 1HE2 GLN 36 1HE2 GLN 36 9.402 4.733 1.345 291 2HE2 GLN 36 2HE2 GLN 36 8.002 4.274 2.183 292 H GLU 37 H GLU 37 13.451 0.564 2.923 293 HA GLU 37 HA GLU 37 13.497 1.245 0.079 294 1HB GLU 37 2HB GLU 37 15.352 0.220 1.930 295 2HB GLU 37 1HB GLU 37 15.098 -1.101 0.792 296 1HG GLU 37 2HG GLU 37 16.874 0.220 -0.116 297 2HG GLU 37 1HG GLU 37 15.442 0.607 -1.072 298 H ASP 38 H ASP 38 12.496 -1.568 2.006 299 HA ASP 38 HA ASP 38 11.915 -3.215 -0.316 300 1HB ASP 38 2HB ASP 38 11.108 -3.382 2.598 301 2HB ASP 38 1HB ASP 38 10.589 -4.568 1.395 302 H ILE 39 H ILE 39 10.076 -1.006 1.743 303 HA ILE 39 HA ILE 39 7.495 -1.605 0.586 304 HB ILE 39 HB ILE 39 8.330 1.014 1.856 305 1HG1 ILE 39 2HG1 ILE 39 7.150 -1.296 3.374 306 2HG1 ILE 39 1HG1 ILE 39 8.894 -1.199 3.138 307 1HG2 ILE 39 1HG2 ILE 39 5.706 -0.176 2.447 308 2HG2 ILE 39 2HG2 ILE 39 5.944 0.186 0.740 309 3HG2 ILE 39 3HG2 ILE 39 6.107 1.466 1.942 310 1HD1 ILE 39 1HD1 ILE 39 7.838 1.381 3.989 311 2HD1 ILE 39 2HD1 ILE 39 9.078 0.386 4.751 312 3HD1 ILE 39 3HD1 ILE 39 7.379 0.114 5.126 313 H VAL 40 H VAL 40 9.911 0.908 0.019 314 HA VAL 40 HA VAL 40 8.395 2.163 -2.109 315 HB VAL 40 HB VAL 40 10.437 3.461 -2.450 316 1HG1 VAL 40 1HG1 VAL 40 9.419 2.962 0.328 317 2HG1 VAL 40 2HG1 VAL 40 8.991 4.266 -0.777 318 3HG1 VAL 40 3HG1 VAL 40 10.578 4.246 -0.014 319 1HG2 VAL 40 1HG2 VAL 40 12.193 2.879 -0.549 320 2HG2 VAL 40 2HG2 VAL 40 12.280 2.159 -2.157 321 3HG2 VAL 40 3HG2 VAL 40 11.550 1.260 -0.831 322 H LYS 41 H LYS 41 11.077 -0.211 -1.995 323 HA LYS 41 HA LYS 41 11.579 -0.235 -4.801 324 1HB LYS 41 2HB LYS 41 12.876 -1.559 -3.061 325 2HB LYS 41 1HB LYS 41 11.490 -2.657 -2.948 326 1HG LYS 41 2HG LYS 41 11.786 -2.758 -5.591 327 2HG LYS 41 1HG LYS 41 13.435 -2.260 -5.209 328 1HD LYS 41 2HD LYS 41 13.708 -4.177 -3.721 329 2HD LYS 41 1HD LYS 41 12.029 -4.650 -3.978 330 1HE LYS 41 2HE LYS 41 13.641 -5.955 -5.382 331 2HE LYS 41 1HE LYS 41 12.451 -5.069 -6.334 332 1HZ LYS 41 1HZ LYS 41 14.688 -4.799 -7.215 333 2HZ LYS 41 2HZ LYS 41 15.211 -4.147 -5.737 334 3HZ LYS 41 3HZ LYS 41 14.065 -3.317 -6.677 335 H PHE 42 H PHE 42 9.490 -2.302 -2.829 336 HA PHE 42 HA PHE 42 8.080 -3.479 -4.978 337 1HB PHE 42 2HB PHE 42 8.126 -4.488 -2.782 338 2HB PHE 42 1HB PHE 42 7.317 -3.084 -2.069 339 HD1 PHE 42 1HD PHE 42 6.858 -5.395 -4.998 340 HD2 PHE 42 2HD PHE 42 5.034 -3.313 -1.716 341 HE1 PHE 42 1HE PHE 42 4.663 -6.358 -5.613 342 HE2 PHE 42 2HE PHE 42 2.845 -4.277 -2.323 343 HZ PHE 42 HZ PHE 42 2.661 -5.800 -4.280 344 H PHE 43 H PHE 43 7.113 -0.679 -2.895 345 HA PHE 43 HA PHE 43 4.558 -0.287 -4.153 346 1HB PHE 43 2HB PHE 43 5.094 0.823 -2.088 347 2HB PHE 43 1HB PHE 43 6.490 1.611 -2.814 348 HD1 PHE 43 1HD PHE 43 3.010 1.882 -2.095 349 HD2 PHE 43 2HD PHE 43 6.044 3.227 -4.810 350 HE1 PHE 43 1HE PHE 43 1.640 3.854 -2.662 351 HE2 PHE 43 2HE PHE 43 4.642 5.168 -5.386 352 HZ PHE 43 HZ PHE 43 2.447 5.486 -4.330 353 H GLU 44 H GLU 44 7.712 1.165 -4.700 354 HA GLU 44 HA GLU 44 7.053 2.733 -7.006 355 1HB GLU 44 2HB GLU 44 9.644 1.260 -6.396 356 2HB GLU 44 1HB GLU 44 9.459 2.488 -7.644 357 1HG GLU 44 2HG GLU 44 8.611 3.160 -4.845 358 2HG GLU 44 1HG GLU 44 10.335 3.159 -5.234 359 H GLU 45 H GLU 45 7.732 -0.670 -6.546 360 HA GLU 45 HA GLU 45 7.738 -1.401 -9.355 361 1HB GLU 45 2HB GLU 45 8.665 -2.607 -7.144 362 2HB GLU 45 1HB GLU 45 7.078 -3.379 -7.218 363 1HG GLU 45 2HG GLU 45 9.137 -3.285 -9.438 364 2HG GLU 45 1HG GLU 45 8.741 -4.699 -8.461 365 H ILE 46 H ILE 46 5.325 -1.383 -6.745 366 HA ILE 46 HA ILE 46 3.384 -2.733 -8.501 367 HB ILE 46 HB ILE 46 3.753 -2.791 -5.786 368 1HG1 ILE 46 2HG1 ILE 46 1.464 -3.873 -5.765 369 2HG1 ILE 46 1HG1 ILE 46 1.271 -3.336 -7.432 370 1HG2 ILE 46 1HG2 ILE 46 2.797 -0.460 -5.682 371 2HG2 ILE 46 2HG2 ILE 46 1.979 -1.666 -4.687 372 3HG2 ILE 46 3HG2 ILE 46 1.268 -1.158 -6.219 373 1HD1 ILE 46 1HD1 ILE 46 2.559 -5.016 -8.216 374 2HD1 ILE 46 2HD1 ILE 46 2.455 -5.725 -6.606 375 3HD1 ILE 46 3HD1 ILE 46 3.825 -4.699 -7.030 376 H ASP 47 H ASP 47 3.974 0.537 -7.239 377 HA ASP 47 HA ASP 47 1.451 1.597 -8.211 378 1HB ASP 47 2HB ASP 47 2.688 2.933 -6.603 379 2HB ASP 47 1HB ASP 47 4.136 2.899 -7.616 380 H VAL 48 H VAL 48 1.519 0.338 -10.310 381 HA VAL 48 HA VAL 48 3.581 0.792 -12.248 382 HB VAL 48 HB VAL 48 2.159 -1.195 -12.176 383 1HG1 VAL 48 1HG1 VAL 48 0.136 0.394 -11.448 384 2HG1 VAL 48 2HG1 VAL 48 -0.151 -1.151 -12.247 385 3HG1 VAL 48 3HG1 VAL 48 -0.195 0.343 -13.177 386 1HG2 VAL 48 1HG2 VAL 48 1.345 0.350 -14.638 387 2HG2 VAL 48 2HG2 VAL 48 1.753 -1.361 -14.511 388 3HG2 VAL 48 3HG2 VAL 48 3.021 -0.140 -14.393 389 H ASP 49 H ASP 49 0.611 2.438 -11.515 390 HA ASP 49 HA ASP 49 0.330 3.549 -14.175 391 1HB ASP 49 2HB ASP 49 -1.736 3.786 -13.352 392 2HB ASP 49 1HB ASP 49 -1.166 3.472 -11.716 393 H GLY 50 H GLY 50 2.282 4.258 -11.482 394 1HA GLY 50 2HA GLY 50 3.927 5.806 -11.278 395 2HA GLY 50 1HA GLY 50 3.568 6.385 -12.902 396 H ASN 51 H ASN 51 0.814 6.400 -10.879 397 HA ASN 51 HA ASN 51 0.837 9.328 -10.842 398 1HB ASN 51 2HB ASN 51 -1.292 8.082 -11.150 399 2HB ASN 51 1HB ASN 51 -1.089 7.366 -9.546 400 1HD2 ASN 51 1HD2 ASN 51 -3.268 8.550 -9.187 401 2HD2 ASN 51 2HD2 ASN 51 -3.195 10.171 -8.689 402 H GLY 52 H GLY 52 2.386 7.033 -9.149 403 1HA GLY 52 2HA GLY 52 3.670 7.227 -7.182 404 2HA GLY 52 1HA GLY 52 2.961 8.823 -6.932 405 H GLU 53 H GLU 53 0.844 6.138 -7.531 406 HA GLU 53 HA GLU 53 0.317 5.768 -4.641 407 1HB GLU 53 2HB GLU 53 -2.099 6.221 -6.305 408 2HB GLU 53 1HB GLU 53 -1.808 6.692 -4.637 409 1HG GLU 53 2HG GLU 53 -0.302 8.504 -5.433 410 2HG GLU 53 1HG GLU 53 -0.677 8.054 -7.098 411 H LEU 54 H LEU 54 -1.008 3.939 -4.144 412 HA LEU 54 HA LEU 54 -0.627 1.736 -6.023 413 1HB LEU 54 2HB LEU 54 -2.088 1.989 -3.388 414 2HB LEU 54 1HB LEU 54 -1.880 0.518 -4.233 415 HG LEU 54 HG LEU 54 -0.073 0.264 -2.945 416 1HD1 LEU 54 1HD1 LEU 54 0.884 0.763 -5.245 417 2HD1 LEU 54 2HD1 LEU 54 1.989 0.968 -3.902 418 3HD1 LEU 54 3HD1 LEU 54 1.237 2.378 -4.649 419 1HD2 LEU 54 1HD2 LEU 54 -0.170 3.236 -2.688 420 2HD2 LEU 54 2HD2 LEU 54 1.004 2.215 -1.854 421 3HD2 LEU 54 3HD2 LEU 54 -0.707 2.028 -1.527 422 H ASN 55 H ASN 55 -2.155 0.986 -7.407 423 HA ASN 55 HA ASN 55 -4.763 2.400 -7.449 424 1HB ASN 55 2HB ASN 55 -4.747 0.557 -9.554 425 2HB ASN 55 1HB ASN 55 -4.413 2.282 -9.677 426 1HD2 ASN 55 1HD2 ASN 55 -3.165 -0.450 -10.793 427 2HD2 ASN 55 2HD2 ASN 55 -1.504 -0.137 -10.679 428 H ALA 56 H ALA 56 -6.574 0.736 -8.302 429 HA ALA 56 HA ALA 56 -7.160 -0.941 -6.061 430 1HB ALA 56 1HB ALA 56 -9.181 -1.428 -7.166 431 2HB ALA 56 2HB ALA 56 -8.471 -1.151 -8.758 432 3HB ALA 56 3HB ALA 56 -8.762 0.208 -7.673 433 H ASP 57 H ASP 57 -6.519 -2.075 -9.468 434 HA ASP 57 HA ASP 57 -6.318 -4.795 -8.698 435 1HB ASP 57 2HB ASP 57 -6.450 -3.814 -11.062 436 2HB ASP 57 1HB ASP 57 -4.712 -3.543 -10.933 437 H GLU 58 H GLU 58 -3.788 -2.308 -8.954 438 HA GLU 58 HA GLU 58 -1.639 -4.079 -8.226 439 1HB GLU 58 2HB GLU 58 -1.930 -1.067 -8.200 440 2HB GLU 58 1HB GLU 58 -0.476 -1.856 -7.604 441 1HG GLU 58 2HG GLU 58 -1.635 -2.173 -10.389 442 2HG GLU 58 1HG GLU 58 -0.239 -1.191 -9.963 443 H PHE 59 H PHE 59 -4.004 -2.208 -6.494 444 HA PHE 59 HA PHE 59 -2.885 -2.113 -3.905 445 1HB PHE 59 2HB PHE 59 -5.594 -2.123 -5.082 446 2HB PHE 59 1HB PHE 59 -5.530 -2.702 -3.444 447 HD1 PHE 59 1HD PHE 59 -3.559 -1.149 -2.103 448 HD2 PHE 59 2HD PHE 59 -6.348 0.034 -5.116 449 HE1 PHE 59 1HE PHE 59 -3.470 1.178 -1.310 450 HE2 PHE 59 2HE PHE 59 -6.242 2.330 -4.347 451 HZ PHE 59 HZ PHE 59 -4.815 2.918 -2.459 452 H THR 60 H THR 60 -4.811 -4.700 -5.485 453 HA THR 60 HA THR 60 -4.764 -6.446 -3.195 454 HB THR 60 HB THR 60 -5.466 -8.183 -4.792 455 HG1 THR 60 1HG THR 60 -5.579 -6.566 -6.957 456 1HG2 THR 60 1HG2 THR 60 -6.690 -5.448 -5.227 457 2HG2 THR 60 2HG2 THR 60 -7.139 -6.615 -3.983 458 3HG2 THR 60 3HG2 THR 60 -7.458 -6.968 -5.681 459 H SER 61 H SER 61 -2.791 -6.223 -6.137 460 HA SER 61 HA SER 61 -0.972 -8.321 -5.305 461 1HB SER 61 2HB SER 61 -1.328 -7.274 -7.680 462 2HB SER 61 1HB SER 61 -0.194 -6.042 -7.124 463 HG SER 61 HG SER 61 1.300 -7.439 -7.574 464 H CYS 62 H CYS 62 -1.489 -5.041 -4.389 465 HA CYS 62 HA CYS 62 1.224 -4.409 -3.576 466 1HB CYS 62 2HB CYS 62 -0.656 -2.714 -3.897 467 2HB CYS 62 1HB CYS 62 -1.314 -3.298 -2.369 468 HG CYS 62 HG CYS 62 0.959 -1.370 -2.603 469 H ILE 63 H ILE 63 -1.595 -5.935 -2.194 470 HA ILE 63 HA ILE 63 -0.251 -6.313 0.388 471 HB ILE 63 HB ILE 63 -2.835 -7.562 -0.570 472 1HG1 ILE 63 2HG1 ILE 63 -3.109 -5.195 -0.833 473 2HG1 ILE 63 1HG1 ILE 63 -3.855 -5.602 0.706 474 1HG2 ILE 63 1HG2 ILE 63 -2.133 -6.788 2.253 475 2HG2 ILE 63 2HG2 ILE 63 -1.507 -8.293 1.583 476 3HG2 ILE 63 3HG2 ILE 63 -3.248 -8.032 1.687 477 1HD1 ILE 63 1HD1 ILE 63 -1.557 -5.058 1.746 478 2HD1 ILE 63 2HD1 ILE 63 -2.544 -3.704 1.198 479 3HD1 ILE 63 3HD1 ILE 63 -1.201 -4.272 0.207 480 H GLU 64 H GLU 64 -0.905 -8.223 -2.616 481 HA GLU 64 HA GLU 64 -0.282 -10.740 -1.606 482 1HB GLU 64 2HB GLU 64 -0.986 -10.185 -3.966 483 2HB GLU 64 1HB GLU 64 0.652 -9.599 -4.255 484 1HG GLU 64 2HG GLU 64 0.557 -11.887 -5.017 485 2HG GLU 64 1HG GLU 64 1.500 -11.864 -3.525 486 H LYS 65 H LYS 65 1.735 -7.880 -1.965 487 HA LYS 65 HA LYS 65 4.284 -9.207 -2.054 488 1HB LYS 65 2HB LYS 65 4.506 -6.901 -2.268 489 2HB LYS 65 1HB LYS 65 3.281 -6.560 -1.055 490 1HG LYS 65 2HG LYS 65 5.471 -5.911 -0.204 491 2HG LYS 65 1HG LYS 65 4.878 -7.288 0.711 492 1HD LYS 65 2HD LYS 65 7.076 -7.947 0.265 493 2HD LYS 65 1HD LYS 65 6.218 -8.691 -1.080 494 1HE LYS 65 2HE LYS 65 6.737 -6.611 -2.435 495 2HE LYS 65 1HE LYS 65 7.795 -6.091 -1.122 496 1HZ LYS 65 1HZ LYS 65 8.664 -8.560 -1.458 497 2HZ LYS 65 2HZ LYS 65 9.289 -7.244 -2.333 498 3HZ LYS 65 3HZ LYS 65 8.125 -8.262 -3.039 499 H MET 66 H MET 66 1.778 -9.457 0.057 500 HA MET 66 HA MET 66 3.143 -11.158 1.917 501 1HB MET 66 2HB MET 66 2.389 -9.809 3.931 502 2HB MET 66 1HB MET 66 3.712 -9.065 3.033 503 1HG MET 66 2HG MET 66 2.057 -7.666 1.809 504 2HG MET 66 1HG MET 66 0.772 -8.365 2.792 505 1HE MET 66 1HE MET 66 1.773 -5.242 2.380 506 2HE MET 66 2HE MET 66 3.451 -5.776 2.394 507 3HE MET 66 3HE MET 66 2.882 -4.649 3.624 508 H LEU 67 H LEU 67 1.099 -11.483 3.729 509 HA LEU 67 HA LEU 67 -1.010 -12.450 3.879 510 1HB LEU 67 2HB LEU 67 -1.389 -9.855 3.351 511 2HB LEU 67 1HB LEU 67 -2.047 -10.502 1.851 512 HG LEU 67 HG LEU 67 -3.870 -10.285 3.429 513 1HD1 LEU 67 1HD1 LEU 67 -3.619 -12.396 1.983 514 2HD1 LEU 67 2HD1 LEU 67 -4.737 -12.489 3.344 515 3HD1 LEU 67 3HD1 LEU 67 -3.137 -13.217 3.469 516 1HD2 LEU 67 1HD2 LEU 67 -2.685 -12.232 5.367 517 2HD2 LEU 67 2HD2 LEU 67 -3.786 -10.887 5.653 518 3HD2 LEU 67 3HD2 LEU 67 -2.068 -10.579 5.409 Start of MODEL 3 1 HA SER 1 HA SER 1 -8.028 -10.500 -1.257 2 1HB SER 1 2HB SER 1 -9.811 -9.634 -2.653 3 2HB SER 1 1HB SER 1 -9.946 -11.389 -2.621 4 HG SER 1 HG SER 1 -11.906 -10.997 -1.968 5 H SER 2 H SER 2 -8.324 -10.241 1.565 6 HA SER 2 HA SER 2 -10.044 -7.996 2.203 7 1HB SER 2 2HB SER 2 -7.892 -8.119 4.062 8 2HB SER 2 1HB SER 2 -9.534 -8.720 4.274 9 HG SER 2 HG SER 2 -8.826 -10.648 3.190 10 H ALA 3 H ALA 3 -7.810 -7.871 0.016 11 HA ALA 3 HA ALA 3 -6.024 -5.810 1.003 12 1HB ALA 3 1HB ALA 3 -5.492 -5.527 -1.453 13 2HB ALA 3 2HB ALA 3 -6.684 -6.783 -1.783 14 3HB ALA 3 3HB ALA 3 -5.249 -7.158 -0.829 15 H LYS 4 H LYS 4 -9.137 -5.885 -0.591 16 HA LYS 4 HA LYS 4 -9.097 -3.004 -1.147 17 1HB LYS 4 2HB LYS 4 -10.444 -4.229 -2.659 18 2HB LYS 4 1HB LYS 4 -11.174 -5.187 -1.377 19 1HG LYS 4 2HG LYS 4 -12.710 -3.556 -0.852 20 2HG LYS 4 1HG LYS 4 -11.587 -2.240 -1.192 21 1HD LYS 4 2HD LYS 4 -12.644 -3.943 -3.442 22 2HD LYS 4 1HD LYS 4 -13.610 -2.614 -2.804 23 1HE LYS 4 2HE LYS 4 -10.741 -2.066 -3.464 24 2HE LYS 4 1HE LYS 4 -11.884 -2.218 -4.798 25 1HZ LYS 4 1HZ LYS 4 -11.620 0.074 -3.908 26 2HZ LYS 4 2HZ LYS 4 -12.325 -0.453 -2.456 27 3HZ LYS 4 3HZ LYS 4 -13.218 -0.495 -3.899 28 H ARG 5 H ARG 5 -10.193 -5.233 1.315 29 HA ARG 5 HA ARG 5 -11.782 -3.376 2.849 30 1HB ARG 5 2HB ARG 5 -11.524 -6.013 2.975 31 2HB ARG 5 1HB ARG 5 -10.230 -5.619 4.112 32 1HG ARG 5 2HG ARG 5 -13.116 -4.686 4.314 33 2HG ARG 5 1HG ARG 5 -12.377 -5.954 5.292 34 1HD ARG 5 2HD ARG 5 -10.631 -4.133 5.931 35 2HD ARG 5 1HD ARG 5 -11.833 -2.992 5.329 36 HE ARG 5 HE ARG 5 -13.268 -4.602 7.065 37 1HH1 ARG 5 1HH2 ARG 5 -10.363 -2.749 7.200 38 2HH1 ARG 5 2HH2 ARG 5 -10.522 -2.378 8.884 39 1HH2 ARG 5 1HH1 ARG 5 -13.490 -4.128 9.263 40 2HH2 ARG 5 2HH1 ARG 5 -12.292 -3.159 10.052 41 H VAL 6 H VAL 6 -8.449 -4.600 3.238 42 HA VAL 6 HA VAL 6 -7.746 -2.903 5.409 43 HB VAL 6 HB VAL 6 -6.521 -4.948 4.037 44 1HG1 VAL 6 1HG1 VAL 6 -5.180 -2.382 3.188 45 2HG1 VAL 6 2HG1 VAL 6 -5.718 -3.726 2.187 46 3HG1 VAL 6 3HG1 VAL 6 -4.326 -3.921 3.252 47 1HG2 VAL 6 1HG2 VAL 6 -5.560 -2.957 6.067 48 2HG2 VAL 6 2HG2 VAL 6 -4.418 -4.139 5.427 49 3HG2 VAL 6 3HG2 VAL 6 -5.880 -4.679 6.253 50 H PHE 7 H PHE 7 -7.498 -2.520 1.933 51 HA PHE 7 HA PHE 7 -6.207 0.032 1.905 52 1HB PHE 7 2HB PHE 7 -6.331 -1.126 -0.173 53 2HB PHE 7 1HB PHE 7 -8.075 -1.312 -0.047 54 HD1 PHE 7 1HD PHE 7 -6.916 1.983 0.967 55 HD2 PHE 7 2HD PHE 7 -7.986 -0.403 -2.440 56 HE1 PHE 7 1HE PHE 7 -7.309 4.017 -0.346 57 HE2 PHE 7 2HE PHE 7 -8.326 1.662 -3.741 58 HZ PHE 7 HZ PHE 7 -8.028 3.868 -2.675 59 H GLU 8 H GLU 8 -9.714 -0.792 1.938 60 HA GLU 8 HA GLU 8 -10.738 1.825 1.885 61 1HB GLU 8 2HB GLU 8 -11.636 -0.663 3.345 62 2HB GLU 8 1HB GLU 8 -12.524 0.853 3.507 63 1HG GLU 8 2HG GLU 8 -13.027 0.933 1.183 64 2HG GLU 8 1HG GLU 8 -11.835 -0.317 0.806 65 H LYS 9 H LYS 9 -9.529 -0.032 4.657 66 HA LYS 9 HA LYS 9 -9.951 1.941 6.656 67 1HB LYS 9 2HB LYS 9 -8.842 -0.612 6.559 68 2HB LYS 9 1HB LYS 9 -7.471 0.398 7.011 69 1HG LYS 9 2HG LYS 9 -10.155 0.574 8.405 70 2HG LYS 9 1HG LYS 9 -8.870 -0.506 8.945 71 1HD LYS 9 2HD LYS 9 -7.567 1.207 9.734 72 2HD LYS 9 1HD LYS 9 -8.059 2.312 8.452 73 1HE LYS 9 2HE LYS 9 -8.930 3.070 10.625 74 2HE LYS 9 1HE LYS 9 -10.252 2.611 9.553 75 1HZ LYS 9 1HZ LYS 9 -10.915 1.230 11.132 76 2HZ LYS 9 2HZ LYS 9 -9.522 1.512 12.063 77 3HZ LYS 9 3HZ LYS 9 -9.520 0.305 10.866 78 H PHE 10 H PHE 10 -7.256 1.488 4.378 79 HA PHE 10 HA PHE 10 -5.833 3.817 5.515 80 1HB PHE 10 2HB PHE 10 -5.088 2.255 3.059 81 2HB PHE 10 1HB PHE 10 -4.036 3.218 4.100 82 HD1 PHE 10 1HD PHE 10 -4.785 2.451 6.795 83 HD2 PHE 10 2HD PHE 10 -4.401 -0.016 3.296 84 HE1 PHE 10 1HE PHE 10 -4.345 0.487 8.232 85 HE2 PHE 10 2HE PHE 10 -3.945 -1.979 4.749 86 HZ PHE 10 HZ PHE 10 -3.927 -1.729 7.209 87 H ASP 11 H ASP 11 -8.035 3.125 2.876 88 HA ASP 11 HA ASP 11 -7.315 5.171 1.103 89 1HB ASP 11 2HB ASP 11 -9.298 3.450 1.019 90 2HB ASP 11 1HB ASP 11 -10.196 4.733 1.824 91 H LYS 12 H LYS 12 -6.373 6.653 2.489 92 HA LYS 12 HA LYS 12 -7.987 8.229 4.356 93 1HB LYS 12 2HB LYS 12 -5.910 8.536 5.186 94 2HB LYS 12 1HB LYS 12 -5.254 7.670 3.795 95 1HG LYS 12 2HG LYS 12 -5.225 9.771 2.499 96 2HG LYS 12 1HG LYS 12 -5.845 10.638 3.907 97 1HD LYS 12 2HD LYS 12 -3.832 10.583 4.988 98 2HD LYS 12 1HD LYS 12 -3.487 8.941 4.436 99 1HE LYS 12 2HE LYS 12 -2.764 9.737 2.281 100 2HE LYS 12 1HE LYS 12 -3.337 11.367 2.627 101 1HZ LYS 12 1HZ LYS 12 -0.840 10.225 3.225 102 2HZ LYS 12 2HZ LYS 12 -1.614 10.626 4.684 103 3HZ LYS 12 3HZ LYS 12 -1.367 11.815 3.496 104 H ASN 13 H ASN 13 -7.510 8.127 1.058 105 HA ASN 13 HA ASN 13 -8.313 10.995 0.729 106 1HB ASN 13 2HB ASN 13 -7.345 10.761 -1.600 107 2HB ASN 13 1HB ASN 13 -6.150 10.702 -0.301 108 1HD2 ASN 13 1HD2 ASN 13 -4.603 9.264 -1.185 109 2HD2 ASN 13 2HD2 ASN 13 -4.962 7.681 -1.681 110 H LYS 14 H LYS 14 -9.724 8.252 1.036 111 HA LYS 14 HA LYS 14 -11.373 6.956 -0.221 112 1HB LYS 14 2HB LYS 14 -12.646 9.683 -0.432 113 2HB LYS 14 1HB LYS 14 -13.402 8.135 -0.067 114 1HG LYS 14 2HG LYS 14 -13.317 8.894 2.092 115 2HG LYS 14 1HG LYS 14 -11.661 8.300 2.016 116 1HD LYS 14 2HD LYS 14 -11.333 10.480 2.784 117 2HD LYS 14 1HD LYS 14 -11.149 10.697 1.043 118 1HE LYS 14 2HE LYS 14 -12.634 12.425 1.702 119 2HE LYS 14 1HE LYS 14 -13.681 11.183 1.017 120 1HZ LYS 14 1HZ LYS 14 -14.745 11.125 2.940 121 2HZ LYS 14 2HZ LYS 14 -13.654 12.223 3.639 122 3HZ LYS 14 3HZ LYS 14 -13.337 10.555 3.693 123 H ASP 15 H ASP 15 -9.415 7.408 -1.872 124 HA ASP 15 HA ASP 15 -10.554 8.626 -4.345 125 1HB ASP 15 2HB ASP 15 -8.308 9.413 -3.343 126 2HB ASP 15 1HB ASP 15 -7.655 7.890 -3.957 127 H GLY 16 H GLY 16 -9.169 5.547 -3.062 128 1HA GLY 16 2HA GLY 16 -9.760 3.470 -4.110 129 2HA GLY 16 1HA GLY 16 -10.009 4.339 -5.635 130 H LYS 17 H LYS 17 -7.476 5.471 -3.777 131 HA LYS 17 HA LYS 17 -5.424 3.691 -4.815 132 1HB LYS 17 2HB LYS 17 -5.351 6.604 -5.551 133 2HB LYS 17 1HB LYS 17 -4.137 5.373 -5.872 134 1HG LYS 17 2HG LYS 17 -5.193 5.284 -7.910 135 2HG LYS 17 1HG LYS 17 -6.243 4.173 -7.043 136 1HD LYS 17 2HD LYS 17 -7.761 5.677 -8.033 137 2HD LYS 17 1HD LYS 17 -7.590 6.305 -6.391 138 1HE LYS 17 2HE LYS 17 -7.268 8.247 -7.641 139 2HE LYS 17 1HE LYS 17 -5.604 7.689 -7.456 140 1HZ LYS 17 1HZ LYS 17 -7.019 6.568 -9.713 141 2HZ LYS 17 2HZ LYS 17 -5.443 7.193 -9.618 142 3HZ LYS 17 3HZ LYS 17 -6.766 8.243 -9.806 143 H LEU 18 H LEU 18 -3.558 3.873 -3.776 144 HA LEU 18 HA LEU 18 -3.500 5.611 -1.362 145 1HB LEU 18 2HB LEU 18 -2.962 2.820 -1.751 146 2HB LEU 18 1HB LEU 18 -1.702 3.665 -0.939 147 HG LEU 18 HG LEU 18 -3.303 4.608 0.601 148 1HD1 LEU 18 1HD1 LEU 18 -5.267 4.390 -0.951 149 2HD1 LEU 18 2HD1 LEU 18 -5.536 3.924 0.728 150 3HD1 LEU 18 3HD1 LEU 18 -5.275 2.690 -0.491 151 1HD2 LEU 18 1HD2 LEU 18 -2.276 2.020 0.405 152 2HD2 LEU 18 2HD2 LEU 18 -3.922 1.847 1.014 153 3HD2 LEU 18 3HD2 LEU 18 -2.765 2.859 1.871 154 H SER 19 H SER 19 -1.495 6.308 -0.684 155 HA SER 19 HA SER 19 0.470 6.676 -2.887 156 1HB SER 19 2HB SER 19 0.439 8.170 -0.300 157 2HB SER 19 1HB SER 19 1.115 8.683 -1.846 158 HG SER 19 HG SER 19 -1.600 8.501 -1.047 159 H LEU 20 H LEU 20 2.699 6.274 -2.301 160 HA LEU 20 HA LEU 20 3.163 4.022 -0.717 161 1HB LEU 20 2HB LEU 20 4.772 5.175 -2.322 162 2HB LEU 20 1HB LEU 20 5.062 6.363 -1.060 163 HG LEU 20 HG LEU 20 6.619 4.275 -1.336 164 1HD1 LEU 20 1HD1 LEU 20 5.671 5.706 1.056 165 2HD1 LEU 20 2HD1 LEU 20 7.282 5.602 0.366 166 3HD1 LEU 20 3HD1 LEU 20 6.650 4.268 1.328 167 1HD2 LEU 20 1HD2 LEU 20 5.990 2.316 -0.253 168 2HD2 LEU 20 2HD2 LEU 20 4.492 2.793 -1.006 169 3HD2 LEU 20 3HD2 LEU 20 4.743 3.122 0.691 170 H ASP 21 H ASP 21 2.572 7.211 -0.019 171 HA ASP 21 HA ASP 21 3.543 7.380 2.681 172 1HB ASP 21 2HB ASP 21 2.667 9.273 1.052 173 2HB ASP 21 1HB ASP 21 1.107 8.902 1.787 174 H GLU 22 H GLU 22 0.253 6.510 1.315 175 HA GLU 22 HA GLU 22 -0.802 6.005 3.937 176 1HB GLU 22 2HB GLU 22 -1.680 5.268 1.166 177 2HB GLU 22 1HB GLU 22 -2.592 4.824 2.611 178 1HG GLU 22 2HG GLU 22 -2.697 7.221 3.244 179 2HG GLU 22 1HG GLU 22 -1.883 7.635 1.741 180 H PHE 23 H PHE 23 0.612 4.022 1.390 181 HA PHE 23 HA PHE 23 0.224 1.512 2.690 182 1HB PHE 23 2HB PHE 23 0.559 1.750 0.268 183 2HB PHE 23 1HB PHE 23 2.180 2.314 0.587 184 HD1 PHE 23 1HD PHE 23 3.877 0.757 0.344 185 HD2 PHE 23 2HD PHE 23 0.002 -0.541 1.634 186 HE1 PHE 23 1HE PHE 23 4.694 -1.585 0.422 187 HE2 PHE 23 2HE PHE 23 0.811 -2.883 1.720 188 HZ PHE 23 HZ PHE 23 3.157 -3.405 1.113 189 H ARG 24 H ARG 24 2.582 4.118 2.931 190 HA ARG 24 HA ARG 24 4.601 2.474 4.300 191 1HB ARG 24 2HB ARG 24 5.048 4.639 2.940 192 2HB ARG 24 1HB ARG 24 4.477 5.487 4.374 193 1HG ARG 24 2HG ARG 24 6.177 3.878 5.604 194 2HG ARG 24 1HG ARG 24 6.916 3.776 4.011 195 1HD ARG 24 2HD ARG 24 7.912 5.597 5.372 196 2HD ARG 24 1HD ARG 24 7.124 6.209 3.920 197 HE ARG 24 HE ARG 24 5.147 6.351 5.855 198 1HH1 ARG 24 1HH2 ARG 24 8.403 7.432 5.516 199 2HH1 ARG 24 2HH2 ARG 24 8.179 8.838 6.500 200 1HH2 ARG 24 1HH1 ARG 24 4.835 8.183 7.142 201 2HH2 ARG 24 2HH1 ARG 24 6.159 9.263 7.421 202 H GLU 25 H GLU 25 1.887 4.462 5.030 203 HA GLU 25 HA GLU 25 2.382 4.594 7.929 204 1HB GLU 25 2HB GLU 25 0.896 6.265 6.791 205 2HB GLU 25 1HB GLU 25 -0.213 4.960 6.368 206 1HG GLU 25 2HG GLU 25 -0.809 4.573 8.617 207 2HG GLU 25 1HG GLU 25 0.606 5.429 9.225 208 H VAL 26 H VAL 26 0.728 2.756 5.545 209 HA VAL 26 HA VAL 26 -0.655 0.798 7.106 210 HB VAL 26 HB VAL 26 0.320 1.275 4.362 211 1HG1 VAL 26 1HG1 VAL 26 -0.689 -0.999 3.690 212 2HG1 VAL 26 2HG1 VAL 26 -0.334 -1.454 5.354 213 3HG1 VAL 26 3HG1 VAL 26 0.970 -0.943 4.281 214 1HG2 VAL 26 1HG2 VAL 26 -1.812 2.090 4.811 215 2HG2 VAL 26 2HG2 VAL 26 -2.290 0.575 5.565 216 3HG2 VAL 26 3HG2 VAL 26 -2.034 0.649 3.820 217 H ALA 27 H ALA 27 2.489 0.969 5.554 218 HA ALA 27 HA ALA 27 3.249 -1.704 6.288 219 1HB ALA 27 1HB ALA 27 4.065 -0.457 4.244 220 2HB ALA 27 2HB ALA 27 5.338 -1.216 5.198 221 3HB ALA 27 3HB ALA 27 5.057 0.518 5.326 222 H LEU 28 H LEU 28 3.928 1.518 7.432 223 HA LEU 28 HA LEU 28 5.851 0.703 9.460 224 1HB LEU 28 2HB LEU 28 4.352 3.241 8.863 225 2HB LEU 28 1HB LEU 28 5.203 3.071 10.394 226 HG LEU 28 HG LEU 28 7.297 3.067 9.404 227 1HD1 LEU 28 1HD1 LEU 28 7.199 1.205 7.935 228 2HD1 LEU 28 2HD1 LEU 28 7.579 2.570 6.894 229 3HD1 LEU 28 3HD1 LEU 28 5.938 1.943 6.953 230 1HD2 LEU 28 1HD2 LEU 28 6.425 5.235 8.920 231 2HD2 LEU 28 2HD2 LEU 28 5.477 4.634 7.564 232 3HD2 LEU 28 3HD2 LEU 28 7.235 4.705 7.447 233 H ALA 29 H ALA 29 2.350 1.131 9.326 234 HA ALA 29 HA ALA 29 1.986 1.044 12.194 235 1HB ALA 29 1HB ALA 29 -0.421 0.755 11.519 236 2HB ALA 29 2HB ALA 29 0.115 0.708 9.840 237 3HB ALA 29 3HB ALA 29 0.361 2.164 10.804 238 H PHE 30 H PHE 30 1.034 -1.290 9.630 239 HA PHE 30 HA PHE 30 0.670 -3.375 11.659 240 1HB PHE 30 2HB PHE 30 -0.301 -2.863 9.038 241 2HB PHE 30 1HB PHE 30 0.556 -4.404 8.966 242 HD1 PHE 30 1HD PHE 30 -2.318 -2.600 10.349 243 HD2 PHE 30 2HD PHE 30 -0.130 -6.296 10.404 244 HE1 PHE 30 1HE PHE 30 -4.229 -3.714 11.471 245 HE2 PHE 30 2HE PHE 30 -2.041 -7.410 11.525 246 HZ PHE 30 HZ PHE 30 -4.090 -6.118 12.058 247 H SER 31 H SER 31 2.858 -2.917 8.862 248 HA SER 31 HA SER 31 4.546 -5.135 9.966 249 1HB SER 31 2HB SER 31 3.630 -5.359 7.614 250 2HB SER 31 1HB SER 31 4.626 -3.974 7.172 251 HG SER 31 HG SER 31 5.335 -6.522 7.383 252 HA PRO 32 HA PRO 32 6.692 -0.991 10.653 253 1HB PRO 32 2HB PRO 32 7.861 -1.913 13.035 254 2HB PRO 32 1HB PRO 32 6.404 -0.906 12.915 255 1HG PRO 32 2HG PRO 32 6.654 -3.833 13.336 256 2HG PRO 32 1HG PRO 32 5.446 -2.694 13.962 257 1HD PRO 32 2HD PRO 32 4.895 -4.404 11.934 258 2HD PRO 32 1HD PRO 32 4.156 -2.790 12.028 259 H TYR 33 H TYR 33 7.693 -4.353 10.523 260 HA TYR 33 HA TYR 33 10.534 -3.742 10.480 261 1HB TYR 33 2HB TYR 33 9.989 -6.261 9.225 262 2HB TYR 33 1HB TYR 33 10.645 -5.969 10.839 263 HD1 TYR 33 1HD TYR 33 9.065 -5.632 12.777 264 HD2 TYR 33 2HD TYR 33 7.730 -6.956 8.913 265 HE1 TYR 33 1HE TYR 33 6.947 -6.436 13.782 266 HE2 TYR 33 2HE TYR 33 5.612 -7.761 9.921 267 HH TYR 33 HH TYR 33 4.433 -6.831 12.704 268 H PHE 34 H PHE 34 8.011 -3.379 8.219 269 HA PHE 34 HA PHE 34 9.467 -4.036 5.812 270 1HB PHE 34 2HB PHE 34 6.984 -2.478 6.437 271 2HB PHE 34 1HB PHE 34 7.815 -2.062 4.960 272 HD1 PHE 34 1HD PHE 34 6.251 -2.905 3.333 273 HD2 PHE 34 2HD PHE 34 7.728 -5.415 6.489 274 HE1 PHE 34 1HE PHE 34 5.271 -4.891 2.219 275 HE2 PHE 34 2HE PHE 34 6.749 -7.403 5.375 276 HZ PHE 34 HZ PHE 34 5.518 -7.139 3.238 277 H THR 35 H THR 35 11.223 -3.109 5.127 278 HA THR 35 HA THR 35 12.076 -0.584 6.281 279 HB THR 35 HB THR 35 13.765 -1.217 4.116 280 HG1 THR 35 1HG THR 35 12.476 -3.258 4.271 281 1HG2 THR 35 1HG2 THR 35 13.874 -1.850 7.062 282 2HG2 THR 35 2HG2 THR 35 14.402 -0.354 6.293 283 3HG2 THR 35 3HG2 THR 35 15.263 -1.861 5.976 284 H GLN 36 H GLN 36 12.212 1.347 5.310 285 HA GLN 36 HA GLN 36 10.271 2.146 3.487 286 1HB GLN 36 2HB GLN 36 11.760 3.549 4.994 287 2HB GLN 36 1HB GLN 36 13.001 3.404 3.748 288 1HG GLN 36 2HG GLN 36 11.582 5.484 3.560 289 2HG GLN 36 1HG GLN 36 11.614 4.498 2.113 290 1HE2 GLN 36 1HE2 GLN 36 9.520 5.113 1.341 291 2HE2 GLN 36 2HE2 GLN 36 8.092 4.709 2.158 292 H GLU 37 H GLU 37 13.420 0.786 2.889 293 HA GLU 37 HA GLU 37 13.436 1.484 0.042 294 1HB GLU 37 2HB GLU 37 15.479 0.896 1.556 295 2HB GLU 37 1HB GLU 37 15.029 -0.784 1.259 296 1HG GLU 37 2HG GLU 37 15.211 -0.444 -1.154 297 2HG GLU 37 1HG GLU 37 15.557 1.269 -0.911 298 H ASP 38 H ASP 38 12.469 -1.296 2.012 299 HA ASP 38 HA ASP 38 11.876 -2.993 -0.273 300 1HB ASP 38 2HB ASP 38 10.980 -3.118 2.625 301 2HB ASP 38 1HB ASP 38 10.647 -4.373 1.426 302 H ILE 39 H ILE 39 10.024 -0.802 1.811 303 HA ILE 39 HA ILE 39 7.450 -1.390 0.647 304 HB ILE 39 HB ILE 39 8.268 1.250 1.886 305 1HG1 ILE 39 2HG1 ILE 39 7.091 -0.987 3.483 306 2HG1 ILE 39 1HG1 ILE 39 8.827 -0.992 3.191 307 1HG2 ILE 39 1HG2 ILE 39 5.666 0.023 2.510 308 2HG2 ILE 39 2HG2 ILE 39 5.890 0.367 0.799 309 3HG2 ILE 39 3HG2 ILE 39 6.037 1.665 1.982 310 1HD1 ILE 39 1HD1 ILE 39 7.436 0.442 5.185 311 2HD1 ILE 39 2HD1 ILE 39 7.924 1.658 4.007 312 3HD1 ILE 39 3HD1 ILE 39 9.135 0.621 4.758 313 H VAL 40 H VAL 40 9.857 1.129 0.081 314 HA VAL 40 HA VAL 40 8.330 2.351 -2.053 315 HB VAL 40 HB VAL 40 10.282 3.730 -2.378 316 1HG1 VAL 40 1HG1 VAL 40 10.524 4.431 0.079 317 2HG1 VAL 40 2HG1 VAL 40 9.401 3.113 0.417 318 3HG1 VAL 40 3HG1 VAL 40 8.910 4.446 -0.623 319 1HG2 VAL 40 1HG2 VAL 40 12.154 3.154 -0.587 320 2HG2 VAL 40 2HG2 VAL 40 12.193 2.522 -2.233 321 3HG2 VAL 40 3HG2 VAL 40 11.570 1.522 -0.923 322 H LYS 41 H LYS 41 11.043 0.002 -1.951 323 HA LYS 41 HA LYS 41 11.517 0.013 -4.768 324 1HB LYS 41 2HB LYS 41 12.884 -1.288 -3.087 325 2HB LYS 41 1HB LYS 41 11.522 -2.402 -2.909 326 1HG LYS 41 2HG LYS 41 11.660 -2.708 -5.460 327 2HG LYS 41 1HG LYS 41 13.229 -1.908 -5.358 328 1HD LYS 41 2HD LYS 41 13.984 -3.605 -3.724 329 2HD LYS 41 1HD LYS 41 12.421 -4.414 -3.852 330 1HE LYS 41 2HE LYS 41 13.822 -5.611 -5.341 331 2HE LYS 41 1HE LYS 41 12.895 -4.534 -6.385 332 1HZ LYS 41 1HZ LYS 41 15.649 -4.694 -6.149 333 2HZ LYS 41 2HZ LYS 41 15.205 -3.213 -5.445 334 3HZ LYS 41 3HZ LYS 41 14.757 -3.567 -7.045 335 H PHE 42 H PHE 42 9.475 -2.090 -2.780 336 HA PHE 42 HA PHE 42 8.036 -3.297 -4.875 337 1HB PHE 42 2HB PHE 42 8.168 -4.101 -2.542 338 2HB PHE 42 1HB PHE 42 7.163 -2.747 -2.022 339 HD1 PHE 42 1HD PHE 42 5.003 -3.442 -1.544 340 HD2 PHE 42 2HD PHE 42 7.040 -5.170 -4.910 341 HE1 PHE 42 1HE PHE 42 2.991 -4.771 -2.084 342 HE2 PHE 42 2HE PHE 42 5.020 -6.490 -5.457 343 HZ PHE 42 HZ PHE 42 2.998 -6.297 -4.044 344 H PHE 43 H PHE 43 7.063 -0.457 -2.855 345 HA PHE 43 HA PHE 43 4.543 -0.066 -4.179 346 1HB PHE 43 2HB PHE 43 5.027 1.013 -2.083 347 2HB PHE 43 1HB PHE 43 6.427 1.827 -2.770 348 HD1 PHE 43 1HD PHE 43 5.987 3.462 -4.765 349 HD2 PHE 43 2HD PHE 43 2.943 2.058 -2.095 350 HE1 PHE 43 1HE PHE 43 4.569 5.392 -5.338 351 HE2 PHE 43 2HE PHE 43 1.550 4.011 -2.666 352 HZ PHE 43 HZ PHE 43 2.354 5.670 -4.307 353 H GLU 44 H GLU 44 7.696 1.413 -4.643 354 HA GLU 44 HA GLU 44 7.081 3.006 -6.937 355 1HB GLU 44 2HB GLU 44 9.682 1.539 -6.353 356 2HB GLU 44 1HB GLU 44 9.491 2.860 -7.503 357 1HG GLU 44 2HG GLU 44 9.207 4.463 -5.830 358 2HG GLU 44 1HG GLU 44 8.638 3.287 -4.648 359 H GLU 45 H GLU 45 7.848 -0.400 -6.530 360 HA GLU 45 HA GLU 45 7.897 -1.068 -9.351 361 1HB GLU 45 2HB GLU 45 8.864 -2.297 -7.190 362 2HB GLU 45 1HB GLU 45 7.284 -3.091 -7.234 363 1HG GLU 45 2HG GLU 45 9.279 -2.939 -9.507 364 2HG GLU 45 1HG GLU 45 8.957 -4.368 -8.524 365 H ILE 46 H ILE 46 5.471 -1.217 -6.759 366 HA ILE 46 HA ILE 46 3.577 -2.569 -8.561 367 HB ILE 46 HB ILE 46 3.923 -2.624 -5.821 368 1HG1 ILE 46 2HG1 ILE 46 1.663 -3.818 -5.878 369 2HG1 ILE 46 1HG1 ILE 46 1.569 -3.336 -7.573 370 1HG2 ILE 46 1HG2 ILE 46 2.025 -1.631 -4.781 371 2HG2 ILE 46 2HG2 ILE 46 1.362 -1.133 -6.336 372 3HG2 ILE 46 3HG2 ILE 46 2.828 -0.369 -5.715 373 1HD1 ILE 46 1HD1 ILE 46 3.177 -4.830 -8.228 374 2HD1 ILE 46 2HD1 ILE 46 2.670 -5.676 -6.768 375 3HD1 ILE 46 3HD1 ILE 46 4.104 -4.653 -6.738 376 H ASP 47 H ASP 47 4.129 0.653 -7.235 377 HA ASP 47 HA ASP 47 1.607 1.745 -8.140 378 1HB ASP 47 2HB ASP 47 3.471 2.746 -6.523 379 2HB ASP 47 1HB ASP 47 4.133 3.385 -8.028 380 H VAL 48 H VAL 48 1.641 0.522 -10.286 381 HA VAL 48 HA VAL 48 3.668 1.063 -12.240 382 HB VAL 48 HB VAL 48 2.293 -0.953 -12.208 383 1HG1 VAL 48 1HG1 VAL 48 -0.042 -0.954 -12.343 384 2HG1 VAL 48 2HG1 VAL 48 -0.097 0.666 -13.036 385 3HG1 VAL 48 3HG1 VAL 48 0.259 0.453 -11.325 386 1HG2 VAL 48 1HG2 VAL 48 1.382 0.650 -14.598 387 2HG2 VAL 48 2HG2 VAL 48 1.832 -1.054 -14.537 388 3HG2 VAL 48 3HG2 VAL 48 3.075 0.192 -14.411 389 H ASP 49 H ASP 49 0.682 2.633 -11.407 390 HA ASP 49 HA ASP 49 0.345 3.830 -14.023 391 1HB ASP 49 2HB ASP 49 -1.719 4.010 -13.184 392 2HB ASP 49 1HB ASP 49 -1.137 3.612 -11.571 393 H GLY 50 H GLY 50 2.300 4.491 -11.317 394 1HA GLY 50 2HA GLY 50 3.876 6.094 -11.020 395 2HA GLY 50 1HA GLY 50 3.564 6.666 -12.655 396 H ASN 51 H ASN 51 0.726 6.636 -10.748 397 HA ASN 51 HA ASN 51 0.705 9.563 -10.707 398 1HB ASN 51 2HB ASN 51 -1.375 8.178 -11.075 399 2HB ASN 51 1HB ASN 51 -1.251 7.645 -9.393 400 1HD2 ASN 51 1HD2 ASN 51 -3.089 8.758 -8.546 401 2HD2 ASN 51 2HD2 ASN 51 -3.225 10.450 -8.540 402 H GLY 52 H GLY 52 2.276 7.344 -8.980 403 1HA GLY 52 2HA GLY 52 3.489 7.584 -6.973 404 2HA GLY 52 1HA GLY 52 2.684 9.134 -6.729 405 H GLU 53 H GLU 53 0.687 6.387 -7.413 406 HA GLU 53 HA GLU 53 0.156 5.915 -4.536 407 1HB GLU 53 2HB GLU 53 -2.269 6.324 -6.198 408 2HB GLU 53 1HB GLU 53 -1.994 6.773 -4.519 409 1HG GLU 53 2HG GLU 53 -0.563 8.653 -5.274 410 2HG GLU 53 1HG GLU 53 -0.902 8.219 -6.950 411 H LEU 54 H LEU 54 -1.096 4.019 -4.094 412 HA LEU 54 HA LEU 54 -0.625 1.890 -6.038 413 1HB LEU 54 2HB LEU 54 -2.118 1.986 -3.406 414 2HB LEU 54 1HB LEU 54 -1.836 0.562 -4.308 415 HG LEU 54 HG LEU 54 -0.064 0.349 -2.952 416 1HD1 LEU 54 1HD1 LEU 54 0.917 0.818 -5.238 417 2HD1 LEU 54 2HD1 LEU 54 1.999 1.082 -3.885 418 3HD1 LEU 54 3HD1 LEU 54 1.227 2.457 -4.676 419 1HD2 LEU 54 1HD2 LEU 54 -0.734 2.101 -1.554 420 2HD2 LEU 54 2HD2 LEU 54 -0.222 3.318 -2.717 421 3HD2 LEU 54 3HD2 LEU 54 0.971 2.330 -1.871 422 H ASN 55 H ASN 55 -2.129 1.134 -7.451 423 HA ASN 55 HA ASN 55 -4.784 2.457 -7.441 424 1HB ASN 55 2HB ASN 55 -4.717 0.658 -9.587 425 2HB ASN 55 1HB ASN 55 -4.462 2.397 -9.673 426 1HD2 ASN 55 1HD2 ASN 55 -3.112 -0.194 -10.921 427 2HD2 ASN 55 2HD2 ASN 55 -1.464 0.167 -10.787 428 H ALA 56 H ALA 56 -6.550 0.771 -8.312 429 HA ALA 56 HA ALA 56 -7.086 -0.962 -6.106 430 1HB ALA 56 1HB ALA 56 -9.104 -1.476 -7.206 431 2HB ALA 56 2HB ALA 56 -8.417 -1.131 -8.794 432 3HB ALA 56 3HB ALA 56 -8.728 0.185 -7.662 433 H ASP 57 H ASP 57 -6.439 -2.028 -9.532 434 HA ASP 57 HA ASP 57 -6.240 -4.759 -8.842 435 1HB ASP 57 2HB ASP 57 -6.333 -3.752 -11.174 436 2HB ASP 57 1HB ASP 57 -4.611 -3.409 -11.007 437 H GLU 58 H GLU 58 -3.668 -2.299 -9.007 438 HA GLU 58 HA GLU 58 -1.585 -4.139 -8.243 439 1HB GLU 58 2HB GLU 58 -1.715 -1.109 -8.152 440 2HB GLU 58 1HB GLU 58 -0.271 -2.033 -7.760 441 1HG GLU 58 2HG GLU 58 -1.715 -1.896 -10.416 442 2HG GLU 58 1HG GLU 58 -0.070 -1.385 -10.058 443 H PHE 59 H PHE 59 -3.908 -2.186 -6.539 444 HA PHE 59 HA PHE 59 -2.819 -2.062 -3.941 445 1HB PHE 59 2HB PHE 59 -5.498 -2.114 -5.166 446 2HB PHE 59 1HB PHE 59 -5.474 -2.754 -3.551 447 HD1 PHE 59 1HD PHE 59 -6.261 0.025 -5.194 448 HD2 PHE 59 2HD PHE 59 -3.659 -1.199 -2.035 449 HE1 PHE 59 1HE PHE 59 -6.289 2.288 -4.340 450 HE2 PHE 59 2HE PHE 59 -3.697 1.107 -1.152 451 HZ PHE 59 HZ PHE 59 -5.012 2.852 -2.342 452 H THR 60 H THR 60 -4.695 -4.657 -5.541 453 HA THR 60 HA THR 60 -4.632 -6.434 -3.270 454 HB THR 60 HB THR 60 -5.436 -8.122 -4.837 455 HG1 THR 60 1HG THR 60 -5.242 -7.863 -6.971 456 1HG2 THR 60 1HG2 THR 60 -6.544 -5.367 -5.432 457 2HG2 THR 60 2HG2 THR 60 -7.000 -6.385 -4.067 458 3HG2 THR 60 3HG2 THR 60 -7.385 -6.892 -5.712 459 H SER 61 H SER 61 -2.751 -6.324 -6.306 460 HA SER 61 HA SER 61 -0.980 -8.455 -5.584 461 1HB SER 61 2HB SER 61 -1.249 -7.191 -7.857 462 2HB SER 61 1HB SER 61 -0.085 -6.052 -7.179 463 HG SER 61 HG SER 61 1.129 -7.576 -8.170 464 H CYS 62 H CYS 62 -1.328 -5.205 -4.419 465 HA CYS 62 HA CYS 62 1.403 -4.865 -3.496 466 1HB CYS 62 2HB CYS 62 -0.474 -3.057 -3.779 467 2HB CYS 62 1HB CYS 62 -1.001 -3.600 -2.187 468 HG CYS 62 HG CYS 62 1.138 -2.716 -1.149 469 H ILE 63 H ILE 63 -1.643 -6.084 -2.240 470 HA ILE 63 HA ILE 63 -0.462 -6.773 0.340 471 HB ILE 63 HB ILE 63 -3.071 -7.776 -0.818 472 1HG1 ILE 63 2HG1 ILE 63 -3.258 -5.416 -0.983 473 2HG1 ILE 63 1HG1 ILE 63 -3.985 -5.796 0.571 474 1HG2 ILE 63 1HG2 ILE 63 -2.297 -7.222 2.054 475 2HG2 ILE 63 2HG2 ILE 63 -2.049 -8.795 1.295 476 3HG2 ILE 63 3HG2 ILE 63 -3.681 -8.145 1.465 477 1HD1 ILE 63 1HD1 ILE 63 -1.660 -5.391 1.579 478 2HD1 ILE 63 2HD1 ILE 63 -2.541 -3.972 1.017 479 3HD1 ILE 63 3HD1 ILE 63 -1.248 -4.651 0.030 480 H GLU 64 H GLU 64 -1.180 -8.523 -2.772 481 HA GLU 64 HA GLU 64 -0.787 -11.098 -1.909 482 1HB GLU 64 2HB GLU 64 -1.253 -10.348 -4.265 483 2HB GLU 64 1HB GLU 64 0.435 -9.857 -4.392 484 1HG GLU 64 2HG GLU 64 -0.339 -12.659 -3.575 485 2HG GLU 64 1HG GLU 64 -0.168 -12.202 -5.268 486 H LYS 65 H LYS 65 1.554 -8.421 -2.079 487 HA LYS 65 HA LYS 65 3.954 -9.924 -2.036 488 1HB LYS 65 2HB LYS 65 3.588 -7.352 -1.824 489 2HB LYS 65 1HB LYS 65 3.480 -7.662 -0.090 490 1HG LYS 65 2HG LYS 65 5.694 -8.461 0.030 491 2HG LYS 65 1HG LYS 65 5.772 -8.744 -1.709 492 1HD LYS 65 2HD LYS 65 6.054 -6.494 -2.207 493 2HD LYS 65 1HD LYS 65 5.328 -5.962 -0.693 494 1HE LYS 65 2HE LYS 65 7.897 -7.531 -0.648 495 2HE LYS 65 1HE LYS 65 7.938 -5.800 -0.998 496 1HZ LYS 65 1HZ LYS 65 8.149 -5.942 1.303 497 2HZ LYS 65 2HZ LYS 65 6.981 -7.168 1.443 498 3HZ LYS 65 3HZ LYS 65 6.508 -5.577 1.079 499 H MET 66 H MET 66 1.313 -10.027 0.030 500 HA MET 66 HA MET 66 2.478 -12.052 1.734 501 1HB MET 66 2HB MET 66 2.034 -9.266 2.667 502 2HB MET 66 1HB MET 66 1.283 -10.499 3.678 503 1HG MET 66 2HG MET 66 4.173 -10.667 2.806 504 2HG MET 66 1HG MET 66 3.681 -9.857 4.291 505 1HE MET 66 1HE MET 66 5.363 -13.336 5.056 506 2HE MET 66 2HE MET 66 5.687 -11.768 4.320 507 3HE MET 66 3HE MET 66 5.248 -13.138 3.302 508 H LEU 67 H LEU 67 0.332 -12.280 3.463 509 HA LEU 67 HA LEU 67 -1.860 -13.086 3.501 510 1HB LEU 67 2HB LEU 67 -2.059 -10.503 2.955 511 2HB LEU 67 1HB LEU 67 -2.568 -11.083 1.373 512 HG LEU 67 HG LEU 67 -4.550 -10.783 2.727 513 1HD1 LEU 67 1HD1 LEU 67 -4.288 -12.867 1.269 514 2HD1 LEU 67 2HD1 LEU 67 -5.526 -12.944 2.521 515 3HD1 LEU 67 3HD1 LEU 67 -3.976 -13.751 2.764 516 1HD2 LEU 67 1HD2 LEU 67 -3.741 -12.829 4.746 517 2HD2 LEU 67 2HD2 LEU 67 -4.762 -11.406 4.933 518 3HD2 LEU 67 3HD2 LEU 67 -3.010 -11.230 4.897 Start of MODEL 4 1 HA SER 1 HA SER 1 -10.188 -10.744 -1.322 2 1HB SER 1 2HB SER 1 -9.636 -12.215 0.594 3 2HB SER 1 1HB SER 1 -8.911 -12.801 -0.900 4 HG SER 1 HG SER 1 -7.200 -11.113 0.145 5 H SER 2 H SER 2 -7.969 -10.528 1.376 6 HA SER 2 HA SER 2 -9.500 -8.323 2.510 7 1HB SER 2 2HB SER 2 -7.025 -8.628 3.890 8 2HB SER 2 1HB SER 2 -8.621 -9.176 4.390 9 HG SER 2 HG SER 2 -8.205 -11.140 3.645 10 H ALA 3 H ALA 3 -7.507 -8.194 0.006 11 HA ALA 3 HA ALA 3 -5.634 -6.164 0.878 12 1HB ALA 3 1HB ALA 3 -5.011 -6.013 -1.417 13 2HB ALA 3 2HB ALA 3 -6.525 -6.737 -1.946 14 3HB ALA 3 3HB ALA 3 -5.328 -7.716 -1.099 15 H LYS 4 H LYS 4 -8.850 -6.207 -0.533 16 HA LYS 4 HA LYS 4 -8.828 -3.318 -1.039 17 1HB LYS 4 2HB LYS 4 -10.215 -4.579 -2.510 18 2HB LYS 4 1HB LYS 4 -10.962 -5.457 -1.180 19 1HG LYS 4 2HG LYS 4 -12.454 -3.776 -0.747 20 2HG LYS 4 1HG LYS 4 -11.254 -2.514 -1.015 21 1HD LYS 4 2HD LYS 4 -12.332 -4.107 -3.337 22 2HD LYS 4 1HD LYS 4 -13.231 -2.729 -2.703 23 1HE LYS 4 2HE LYS 4 -10.310 -2.375 -3.279 24 2HE LYS 4 1HE LYS 4 -11.437 -2.396 -4.636 25 1HZ LYS 4 1HZ LYS 4 -11.254 -0.497 -2.400 26 2HZ LYS 4 2HZ LYS 4 -12.757 -0.752 -3.150 27 3HZ LYS 4 3HZ LYS 4 -11.435 -0.192 -4.059 28 H ARG 5 H ARG 5 -9.975 -5.579 1.393 29 HA ARG 5 HA ARG 5 -11.491 -3.780 3.010 30 1HB ARG 5 2HB ARG 5 -11.194 -6.358 3.183 31 2HB ARG 5 1HB ARG 5 -9.731 -5.980 4.098 32 1HG ARG 5 2HG ARG 5 -11.284 -6.113 5.815 33 2HG ARG 5 1HG ARG 5 -11.371 -4.389 5.448 34 1HD ARG 5 2HD ARG 5 -13.199 -5.225 3.697 35 2HD ARG 5 1HD ARG 5 -13.326 -6.566 4.827 36 HE ARG 5 HE ARG 5 -14.568 -4.094 5.211 37 1HH1 ARG 5 1HH2 ARG 5 -12.255 -6.031 6.899 38 2HH1 ARG 5 2HH2 ARG 5 -12.602 -5.323 8.438 39 1HH2 ARG 5 1HH1 ARG 5 -15.032 -3.184 7.211 40 2HH2 ARG 5 2HH1 ARG 5 -14.173 -3.720 8.617 41 H VAL 6 H VAL 6 -8.117 -4.846 3.263 42 HA VAL 6 HA VAL 6 -7.369 -3.116 5.382 43 HB VAL 6 HB VAL 6 -6.161 -5.127 3.906 44 1HG1 VAL 6 1HG1 VAL 6 -3.983 -4.032 3.175 45 2HG1 VAL 6 2HG1 VAL 6 -4.868 -2.512 3.172 46 3HG1 VAL 6 3HG1 VAL 6 -5.377 -3.829 2.119 47 1HG2 VAL 6 1HG2 VAL 6 -5.241 -3.247 6.050 48 2HG2 VAL 6 2HG2 VAL 6 -4.056 -4.333 5.327 49 3HG2 VAL 6 3HG2 VAL 6 -5.489 -4.990 6.115 50 H PHE 7 H PHE 7 -7.355 -2.682 1.892 51 HA PHE 7 HA PHE 7 -6.068 -0.100 1.911 52 1HB PHE 7 2HB PHE 7 -6.124 -1.201 -0.193 53 2HB PHE 7 1HB PHE 7 -7.860 -1.465 -0.093 54 HD1 PHE 7 1HD PHE 7 -7.815 -0.491 -2.456 55 HD2 PHE 7 2HD PHE 7 -6.820 1.850 1.004 56 HE1 PHE 7 1HE PHE 7 -8.231 1.592 -3.705 57 HE2 PHE 7 2HE PHE 7 -7.285 3.899 -0.257 58 HZ PHE 7 HZ PHE 7 -8.005 3.781 -2.589 59 H GLU 8 H GLU 8 -9.561 -0.998 1.872 60 HA GLU 8 HA GLU 8 -10.637 1.594 1.847 61 1HB GLU 8 2HB GLU 8 -11.521 -0.834 3.439 62 2HB GLU 8 1HB GLU 8 -12.490 0.631 3.268 63 1HG GLU 8 2HG GLU 8 -11.427 -0.684 0.787 64 2HG GLU 8 1HG GLU 8 -12.821 -1.406 1.597 65 H LYS 9 H LYS 9 -9.565 -0.291 4.656 66 HA LYS 9 HA LYS 9 -9.998 1.644 6.664 67 1HB LYS 9 2HB LYS 9 -8.164 -0.685 6.331 68 2HB LYS 9 1HB LYS 9 -7.771 0.461 7.610 69 1HG LYS 9 2HG LYS 9 -9.268 -1.443 8.336 70 2HG LYS 9 1HG LYS 9 -9.932 0.165 8.643 71 1HD LYS 9 2HD LYS 9 -11.550 -0.033 7.000 72 2HD LYS 9 1HD LYS 9 -10.571 -1.121 6.016 73 1HE LYS 9 2HE LYS 9 -12.633 -2.100 7.280 74 2HE LYS 9 1HE LYS 9 -11.114 -2.996 7.324 75 1HZ LYS 9 1HZ LYS 9 -11.184 -1.066 9.392 76 2HZ LYS 9 2HZ LYS 9 -11.014 -2.753 9.508 77 3HZ LYS 9 3HZ LYS 9 -12.562 -2.052 9.478 78 H PHE 10 H PHE 10 -7.264 1.269 4.423 79 HA PHE 10 HA PHE 10 -5.898 3.599 5.617 80 1HB PHE 10 2HB PHE 10 -5.113 2.083 3.151 81 2HB PHE 10 1HB PHE 10 -4.085 3.068 4.195 82 HD1 PHE 10 1HD PHE 10 -4.893 2.236 6.890 83 HD2 PHE 10 2HD PHE 10 -4.267 -0.141 3.362 84 HE1 PHE 10 1HE PHE 10 -4.373 0.278 8.304 85 HE2 PHE 10 2HE PHE 10 -3.732 -2.097 4.794 86 HZ PHE 10 HZ PHE 10 -3.794 -1.891 7.259 87 H ASP 11 H ASP 11 -8.098 2.946 2.968 88 HA ASP 11 HA ASP 11 -7.327 5.060 1.263 89 1HB ASP 11 2HB ASP 11 -9.269 3.298 1.038 90 2HB ASP 11 1HB ASP 11 -10.226 4.527 1.861 91 H LYS 12 H LYS 12 -6.479 6.495 2.748 92 HA LYS 12 HA LYS 12 -8.179 7.954 4.624 93 1HB LYS 12 2HB LYS 12 -6.118 8.184 5.524 94 2HB LYS 12 1HB LYS 12 -5.401 7.502 4.062 95 1HG LYS 12 2HG LYS 12 -5.414 9.718 3.002 96 2HG LYS 12 1HG LYS 12 -6.142 10.410 4.452 97 1HD LYS 12 2HD LYS 12 -4.200 10.230 5.686 98 2HD LYS 12 1HD LYS 12 -3.664 8.798 4.804 99 1HE LYS 12 2HE LYS 12 -2.754 10.047 3.061 100 2HE LYS 12 1HE LYS 12 -3.821 11.419 3.349 101 1HZ LYS 12 1HZ LYS 12 -2.115 10.824 5.578 102 2HZ LYS 12 2HZ LYS 12 -2.399 12.303 4.794 103 3HZ LYS 12 3HZ LYS 12 -1.246 11.219 4.175 104 H ASN 13 H ASN 13 -7.615 8.028 1.330 105 HA ASN 13 HA ASN 13 -8.429 10.873 1.114 106 1HB ASN 13 2HB ASN 13 -6.166 10.468 0.196 107 2HB ASN 13 1HB ASN 13 -6.822 9.192 -0.842 108 1HD2 ASN 13 1HD2 ASN 13 -9.090 11.636 -0.375 109 2HD2 ASN 13 2HD2 ASN 13 -8.844 12.467 -1.816 110 H LYS 14 H LYS 14 -9.804 8.082 1.263 111 HA LYS 14 HA LYS 14 -11.392 6.815 -0.087 112 1HB LYS 14 2HB LYS 14 -12.627 9.579 -0.165 113 2HB LYS 14 1HB LYS 14 -13.451 8.027 -0.080 114 1HG LYS 14 2HG LYS 14 -13.452 8.162 2.172 115 2HG LYS 14 1HG LYS 14 -11.691 8.124 2.156 116 1HD LYS 14 2HD LYS 14 -12.201 10.133 3.286 117 2HD LYS 14 1HD LYS 14 -11.838 10.661 1.644 118 1HE LYS 14 2HE LYS 14 -14.482 10.511 3.050 119 2HE LYS 14 1HE LYS 14 -13.842 11.781 2.006 120 1HZ LYS 14 1HZ LYS 14 -15.640 10.413 1.000 121 2HZ LYS 14 2HZ LYS 14 -14.590 9.078 1.039 122 3HZ LYS 14 3HZ LYS 14 -14.202 10.439 0.100 123 H ASP 15 H ASP 15 -9.397 7.312 -1.664 124 HA ASP 15 HA ASP 15 -10.447 8.639 -4.120 125 1HB ASP 15 2HB ASP 15 -8.216 9.344 -3.042 126 2HB ASP 15 1HB ASP 15 -7.577 7.820 -3.667 127 H GLY 16 H GLY 16 -9.156 5.494 -2.910 128 1HA GLY 16 2HA GLY 16 -9.727 3.458 -4.034 129 2HA GLY 16 1HA GLY 16 -9.976 4.379 -5.529 130 H LYS 17 H LYS 17 -7.458 5.497 -3.675 131 HA LYS 17 HA LYS 17 -5.375 3.765 -4.736 132 1HB LYS 17 2HB LYS 17 -5.371 6.685 -5.429 133 2HB LYS 17 1HB LYS 17 -4.131 5.488 -5.772 134 1HG LYS 17 2HG LYS 17 -5.198 5.401 -7.807 135 2HG LYS 17 1HG LYS 17 -6.216 4.254 -6.948 136 1HD LYS 17 2HD LYS 17 -7.775 5.739 -7.906 137 2HD LYS 17 1HD LYS 17 -7.608 6.346 -6.254 138 1HE LYS 17 2HE LYS 17 -7.335 8.311 -7.478 139 2HE LYS 17 1HE LYS 17 -5.659 7.786 -7.305 140 1HZ LYS 17 1HZ LYS 17 -5.496 7.595 -9.490 141 2HZ LYS 17 2HZ LYS 17 -7.068 8.215 -9.657 142 3HZ LYS 17 3HZ LYS 17 -6.821 6.537 -9.549 143 H LEU 18 H LEU 18 -3.518 3.946 -3.666 144 HA LEU 18 HA LEU 18 -3.458 5.737 -1.291 145 1HB LEU 18 2HB LEU 18 -2.918 2.921 -1.587 146 2HB LEU 18 1HB LEU 18 -1.689 3.799 -0.767 147 HG LEU 18 HG LEU 18 -3.399 4.804 0.678 148 1HD1 LEU 18 1HD1 LEU 18 -5.299 4.404 -0.871 149 2HD1 LEU 18 2HD1 LEU 18 -5.575 3.894 0.798 150 3HD1 LEU 18 3HD1 LEU 18 -5.182 2.700 -0.427 151 1HD2 LEU 18 1HD2 LEU 18 -3.317 2.995 2.115 152 2HD2 LEU 18 2HD2 LEU 18 -2.003 2.640 1.003 153 3HD2 LEU 18 3HD2 LEU 18 -3.563 1.839 0.817 154 H SER 19 H SER 19 -1.420 6.431 -0.639 155 HA SER 19 HA SER 19 0.538 6.655 -2.871 156 1HB SER 19 2HB SER 19 0.677 8.234 -0.353 157 2HB SER 19 1HB SER 19 1.211 8.694 -1.969 158 HG SER 19 HG SER 19 -1.021 9.367 -0.820 159 H LEU 20 H LEU 20 2.790 6.236 -2.247 160 HA LEU 20 HA LEU 20 3.153 3.993 -0.620 161 1HB LEU 20 2HB LEU 20 4.858 4.934 -2.193 162 2HB LEU 20 1HB LEU 20 5.108 6.274 -1.082 163 HG LEU 20 HG LEU 20 6.747 4.339 -0.906 164 1HD1 LEU 20 1HD1 LEU 20 7.137 4.893 1.200 165 2HD1 LEU 20 2HD1 LEU 20 5.497 4.528 1.710 166 3HD1 LEU 20 3HD1 LEU 20 5.854 6.066 0.928 167 1HD2 LEU 20 1HD2 LEU 20 4.744 2.942 0.779 168 2HD2 LEU 20 2HD2 LEU 20 6.065 2.269 -0.177 169 3HD2 LEU 20 3HD2 LEU 20 4.582 2.759 -0.949 170 H ASP 21 H ASP 21 2.720 7.248 0.026 171 HA ASP 21 HA ASP 21 3.649 7.389 2.730 172 1HB ASP 21 2HB ASP 21 1.309 9.001 1.729 173 2HB ASP 21 1HB ASP 21 2.586 9.482 2.847 174 H GLU 22 H GLU 22 0.319 6.682 1.366 175 HA GLU 22 HA GLU 22 -0.784 6.252 3.979 176 1HB GLU 22 2HB GLU 22 -1.639 5.465 1.208 177 2HB GLU 22 1HB GLU 22 -2.561 5.026 2.645 178 1HG GLU 22 2HG GLU 22 -3.352 7.147 1.566 179 2HG GLU 22 1HG GLU 22 -2.852 7.346 3.245 180 H PHE 23 H PHE 23 0.712 4.230 1.551 181 HA PHE 23 HA PHE 23 0.251 1.746 2.887 182 1HB PHE 23 2HB PHE 23 0.638 1.961 0.454 183 2HB PHE 23 1HB PHE 23 2.282 2.417 0.809 184 HD1 PHE 23 1HD PHE 23 3.755 0.805 2.117 185 HD2 PHE 23 2HD PHE 23 -0.008 -0.313 0.394 186 HE1 PHE 23 1HE PHE 23 4.398 -1.587 2.275 187 HE2 PHE 23 2HE PHE 23 0.629 -2.703 0.551 188 HZ PHE 23 HZ PHE 23 2.832 -3.342 1.492 189 H ARG 24 H ARG 24 2.545 4.373 3.229 190 HA ARG 24 HA ARG 24 4.649 2.801 4.538 191 1HB ARG 24 2HB ARG 24 4.381 5.428 3.495 192 2HB ARG 24 1HB ARG 24 4.647 5.624 5.215 193 1HG ARG 24 2HG ARG 24 6.697 4.371 5.125 194 2HG ARG 24 1HG ARG 24 6.400 3.887 3.456 195 1HD ARG 24 2HD ARG 24 6.296 6.476 3.008 196 2HD ARG 24 1HD ARG 24 7.140 6.583 4.527 197 HE ARG 24 HE ARG 24 8.601 4.733 3.094 198 1HH1 ARG 24 1HH2 ARG 24 7.453 7.944 2.621 199 2HH1 ARG 24 2HH2 ARG 24 8.775 8.410 1.605 200 1HH2 ARG 24 1HH1 ARG 24 10.339 5.321 1.770 201 2HH2 ARG 24 2HH1 ARG 24 10.408 6.925 1.122 202 H GLU 25 H GLU 25 1.856 4.665 5.349 203 HA GLU 25 HA GLU 25 2.304 4.639 8.264 204 1HB GLU 25 2HB GLU 25 -0.136 5.224 6.545 205 2HB GLU 25 1HB GLU 25 -0.203 5.215 8.309 206 1HG GLU 25 2HG GLU 25 1.655 6.908 8.323 207 2HG GLU 25 1HG GLU 25 1.519 6.999 6.566 208 H VAL 26 H VAL 26 0.683 2.904 5.783 209 HA VAL 26 HA VAL 26 -0.721 0.879 7.214 210 HB VAL 26 HB VAL 26 0.319 1.498 4.541 211 1HG1 VAL 26 1HG1 VAL 26 -0.254 -1.335 5.312 212 2HG1 VAL 26 2HG1 VAL 26 1.156 -0.695 4.465 213 3HG1 VAL 26 3HG1 VAL 26 -0.405 -0.765 3.650 214 1HG2 VAL 26 1HG2 VAL 26 -2.265 0.576 5.640 215 2HG2 VAL 26 2HG2 VAL 26 -1.974 0.674 3.901 216 3HG2 VAL 26 3HG2 VAL 26 -1.878 2.125 4.901 217 H ALA 27 H ALA 27 2.465 1.042 5.746 218 HA ALA 27 HA ALA 27 3.188 -1.638 6.490 219 1HB ALA 27 1HB ALA 27 4.080 -0.576 4.464 220 2HB ALA 27 2HB ALA 27 5.396 -1.032 5.544 221 3HB ALA 27 3HB ALA 27 4.877 0.650 5.448 222 H LEU 28 H LEU 28 4.188 1.576 7.547 223 HA LEU 28 HA LEU 28 5.973 0.667 9.614 224 1HB LEU 28 2HB LEU 28 4.584 3.283 9.064 225 2HB LEU 28 1HB LEU 28 5.504 3.053 10.548 226 HG LEU 28 HG LEU 28 7.541 2.879 9.430 227 1HD1 LEU 28 1HD1 LEU 28 7.649 2.471 6.914 228 2HD1 LEU 28 2HD1 LEU 28 5.938 2.067 6.994 229 3HD1 LEU 28 3HD1 LEU 28 7.114 1.100 7.881 230 1HD2 LEU 28 1HD2 LEU 28 7.624 4.698 7.784 231 2HD2 LEU 28 2HD2 LEU 28 6.555 5.134 9.117 232 3HD2 LEU 28 3HD2 LEU 28 5.875 4.609 7.578 233 H ALA 29 H ALA 29 2.494 1.281 9.525 234 HA ALA 29 HA ALA 29 2.172 1.177 12.403 235 1HB ALA 29 1HB ALA 29 0.585 2.375 10.975 236 2HB ALA 29 2HB ALA 29 -0.239 1.083 11.846 237 3HB ALA 29 3HB ALA 29 0.175 0.872 10.147 238 H PHE 30 H PHE 30 1.056 -1.091 9.844 239 HA PHE 30 HA PHE 30 0.679 -3.172 11.886 240 1HB PHE 30 2HB PHE 30 -0.342 -2.608 9.252 241 2HB PHE 30 1HB PHE 30 0.313 -4.248 9.273 242 HD1 PHE 30 1HD PHE 30 -2.341 -2.052 10.440 243 HD2 PHE 30 2HD PHE 30 -0.486 -5.885 11.005 244 HE1 PHE 30 1HE PHE 30 -4.341 -2.837 11.681 245 HE2 PHE 30 2HE PHE 30 -2.484 -6.670 12.246 246 HZ PHE 30 HZ PHE 30 -4.411 -5.145 12.584 247 H SER 31 H SER 31 2.724 -2.771 8.975 248 HA SER 31 HA SER 31 4.348 -5.100 9.936 249 1HB SER 31 2HB SER 31 3.919 -3.909 7.195 250 2HB SER 31 1HB SER 31 5.237 -5.026 7.535 251 HG SER 31 HG SER 31 2.839 -5.866 8.527 252 HA PRO 32 HA PRO 32 6.808 -1.144 10.554 253 1HB PRO 32 2HB PRO 32 7.871 -1.949 12.983 254 2HB PRO 32 1HB PRO 32 6.391 -0.985 12.805 255 1HG PRO 32 2HG PRO 32 6.701 -3.908 13.283 256 2HG PRO 32 1HG PRO 32 5.508 -2.772 13.944 257 1HD PRO 32 2HD PRO 32 4.899 -4.485 11.931 258 2HD PRO 32 1HD PRO 32 4.163 -2.871 12.053 259 H TYR 33 H TYR 33 7.537 -4.573 10.561 260 HA TYR 33 HA TYR 33 10.417 -4.212 10.600 261 1HB TYR 33 2HB TYR 33 8.835 -6.600 9.608 262 2HB TYR 33 1HB TYR 33 10.518 -6.582 10.151 263 HD1 TYR 33 1HD TYR 33 10.963 -5.789 12.583 264 HD2 TYR 33 2HD TYR 33 7.111 -7.032 11.147 265 HE1 TYR 33 1HE TYR 33 10.220 -6.182 14.916 266 HE2 TYR 33 2HE TYR 33 6.367 -7.425 13.480 267 HH TYR 33 HH TYR 33 7.451 -7.927 15.694 268 H PHE 34 H PHE 34 8.026 -3.659 8.241 269 HA PHE 34 HA PHE 34 9.487 -4.524 5.903 270 1HB PHE 34 2HB PHE 34 7.046 -2.976 6.394 271 2HB PHE 34 1HB PHE 34 8.039 -2.201 5.188 272 HD1 PHE 34 1HD PHE 34 9.280 -4.305 3.677 273 HD2 PHE 34 2HD PHE 34 5.330 -4.158 5.358 274 HE1 PHE 34 1HE PHE 34 8.493 -5.930 1.976 275 HE2 PHE 34 2HE PHE 34 4.549 -5.778 3.658 276 HZ PHE 34 HZ PHE 34 6.127 -6.666 1.966 277 H THR 35 H THR 35 11.233 -3.711 5.042 278 HA THR 35 HA THR 35 12.408 -1.354 6.267 279 HB THR 35 HB THR 35 13.810 -2.015 3.885 280 HG1 THR 35 1HG THR 35 13.757 -4.359 5.251 281 1HG2 THR 35 1HG2 THR 35 14.723 -1.236 6.006 282 2HG2 THR 35 2HG2 THR 35 15.465 -2.768 5.542 283 3HG2 THR 35 3HG2 THR 35 14.215 -2.734 6.787 284 H GLN 36 H GLN 36 12.571 0.635 5.396 285 HA GLN 36 HA GLN 36 10.521 1.599 3.783 286 1HB GLN 36 2HB GLN 36 12.194 2.844 5.266 287 2HB GLN 36 1HB GLN 36 13.284 2.792 3.879 288 1HG GLN 36 2HG GLN 36 11.912 4.893 3.992 289 2HG GLN 36 1HG GLN 36 11.698 3.998 2.498 290 1HE2 GLN 36 1HE2 GLN 36 9.672 2.765 2.252 291 2HE2 GLN 36 2HE2 GLN 36 8.310 3.153 3.183 292 H GLU 37 H GLU 37 13.524 0.170 2.914 293 HA GLU 37 HA GLU 37 13.473 1.041 0.114 294 1HB GLU 37 2HB GLU 37 15.579 0.351 1.316 295 2HB GLU 37 1HB GLU 37 14.986 -1.309 1.313 296 1HG GLU 37 2HG GLU 37 14.860 -1.253 -1.157 297 2HG GLU 37 1HG GLU 37 15.483 0.396 -1.145 298 H ASP 38 H ASP 38 12.391 -1.834 1.904 299 HA ASP 38 HA ASP 38 11.662 -3.302 -0.497 300 1HB ASP 38 2HB ASP 38 11.087 -3.604 2.444 301 2HB ASP 38 1HB ASP 38 10.229 -4.598 1.263 302 H ILE 39 H ILE 39 9.984 -1.131 1.735 303 HA ILE 39 HA ILE 39 7.341 -1.525 0.635 304 HB ILE 39 HB ILE 39 8.397 0.972 1.986 305 1HG1 ILE 39 2HG1 ILE 39 7.098 -1.308 3.455 306 2HG1 ILE 39 1HG1 ILE 39 8.834 -1.339 3.154 307 1HG2 ILE 39 1HG2 ILE 39 5.847 0.219 0.994 308 2HG2 ILE 39 2HG2 ILE 39 6.239 1.620 1.991 309 3HG2 ILE 39 3HG2 ILE 39 5.752 0.110 2.752 310 1HD1 ILE 39 1HD1 ILE 39 9.173 0.088 4.877 311 2HD1 ILE 39 2HD1 ILE 39 7.446 0.064 5.213 312 3HD1 ILE 39 3HD1 ILE 39 8.113 1.281 4.129 313 H VAL 40 H VAL 40 9.805 0.953 0.194 314 HA VAL 40 HA VAL 40 8.367 2.352 -1.893 315 HB VAL 40 HB VAL 40 10.412 3.642 -2.074 316 1HG1 VAL 40 1HG1 VAL 40 9.000 4.291 -0.298 317 2HG1 VAL 40 2HG1 VAL 40 10.601 4.165 0.430 318 3HG1 VAL 40 3HG1 VAL 40 9.426 2.873 0.654 319 1HG2 VAL 40 1HG2 VAL 40 11.503 1.257 -0.714 320 2HG2 VAL 40 2HG2 VAL 40 12.195 2.827 -0.288 321 3HG2 VAL 40 3HG2 VAL 40 12.227 2.269 -1.960 322 H LYS 41 H LYS 41 11.032 -0.060 -1.897 323 HA LYS 41 HA LYS 41 11.521 0.111 -4.711 324 1HB LYS 41 2HB LYS 41 12.891 -1.280 -3.085 325 2HB LYS 41 1HB LYS 41 11.542 -2.427 -3.022 326 1HG LYS 41 2HG LYS 41 11.783 -2.982 -5.321 327 2HG LYS 41 1HG LYS 41 12.821 -1.591 -5.634 328 1HD LYS 41 2HD LYS 41 14.117 -3.710 -5.494 329 2HD LYS 41 1HD LYS 41 14.589 -2.559 -4.245 330 1HE LYS 41 2HE LYS 41 13.419 -3.740 -2.554 331 2HE LYS 41 1HE LYS 41 12.488 -4.667 -3.733 332 1HZ LYS 41 1HZ LYS 41 14.236 -6.017 -2.798 333 2HZ LYS 41 2HZ LYS 41 15.411 -4.876 -3.250 334 3HZ LYS 41 3HZ LYS 41 14.555 -5.733 -4.441 335 H PHE 42 H PHE 42 9.500 -2.111 -2.828 336 HA PHE 42 HA PHE 42 8.102 -3.223 -5.001 337 1HB PHE 42 2HB PHE 42 8.180 -4.226 -2.775 338 2HB PHE 42 1HB PHE 42 7.261 -2.871 -2.111 339 HD1 PHE 42 1HD PHE 42 6.943 -4.975 -5.216 340 HD2 PHE 42 2HD PHE 42 5.078 -3.503 -1.634 341 HE1 PHE 42 1HE PHE 42 4.840 -6.105 -5.850 342 HE2 PHE 42 2HE PHE 42 2.980 -4.642 -2.266 343 HZ PHE 42 HZ PHE 42 2.862 -5.946 -4.381 344 H PHE 43 H PHE 43 7.049 -0.534 -2.798 345 HA PHE 43 HA PHE 43 4.540 -0.099 -4.100 346 1HB PHE 43 2HB PHE 43 5.064 0.964 -2.004 347 2HB PHE 43 1HB PHE 43 6.452 1.784 -2.713 348 HD1 PHE 43 1HD PHE 43 2.975 1.999 -1.990 349 HD2 PHE 43 2HD PHE 43 5.985 3.420 -4.692 350 HE1 PHE 43 1HE PHE 43 1.575 3.954 -2.535 351 HE2 PHE 43 2HE PHE 43 4.552 5.344 -5.245 352 HZ PHE 43 HZ PHE 43 2.352 5.614 -4.182 353 H GLU 44 H GLU 44 7.697 1.334 -4.568 354 HA GLU 44 HA GLU 44 7.087 2.967 -6.850 355 1HB GLU 44 2HB GLU 44 9.664 1.502 -6.169 356 2HB GLU 44 1HB GLU 44 9.517 2.701 -7.445 357 1HG GLU 44 2HG GLU 44 8.579 3.434 -4.692 358 2HG GLU 44 1HG GLU 44 10.315 3.425 -5.022 359 H GLU 45 H GLU 45 7.793 -0.445 -6.454 360 HA GLU 45 HA GLU 45 7.851 -1.099 -9.281 361 1HB GLU 45 2HB GLU 45 8.757 -2.353 -7.080 362 2HB GLU 45 1HB GLU 45 7.192 -3.158 -7.226 363 1HG GLU 45 2HG GLU 45 9.300 -2.935 -9.389 364 2HG GLU 45 1HG GLU 45 8.928 -4.391 -8.466 365 H ILE 46 H ILE 46 5.409 -1.257 -6.695 366 HA ILE 46 HA ILE 46 3.512 -2.555 -8.525 367 HB ILE 46 HB ILE 46 3.834 -2.696 -5.808 368 1HG1 ILE 46 2HG1 ILE 46 1.568 -3.815 -5.857 369 2HG1 ILE 46 1HG1 ILE 46 1.381 -3.211 -7.504 370 1HG2 ILE 46 1HG2 ILE 46 2.847 -0.386 -5.635 371 2HG2 ILE 46 2HG2 ILE 46 2.017 -1.635 -4.708 372 3HG2 ILE 46 3HG2 ILE 46 1.340 -1.076 -6.235 373 1HD1 ILE 46 1HD1 ILE 46 3.951 -4.491 -7.273 374 2HD1 ILE 46 2HD1 ILE 46 2.590 -4.932 -8.301 375 3HD1 ILE 46 3HD1 ILE 46 2.706 -5.584 -6.669 376 H ASP 47 H ASP 47 3.972 0.670 -7.078 377 HA ASP 47 HA ASP 47 1.477 1.727 -8.093 378 1HB ASP 47 2HB ASP 47 2.708 3.000 -6.408 379 2HB ASP 47 1HB ASP 47 4.133 3.069 -7.449 380 H VAL 48 H VAL 48 1.524 0.614 -10.238 381 HA VAL 48 HA VAL 48 3.649 1.117 -12.119 382 HB VAL 48 HB VAL 48 2.265 -0.888 -12.159 383 1HG1 VAL 48 1HG1 VAL 48 0.199 0.659 -11.403 384 2HG1 VAL 48 2HG1 VAL 48 -0.040 -0.887 -12.217 385 3HG1 VAL 48 3HG1 VAL 48 -0.117 0.615 -13.135 386 1HG2 VAL 48 1HG2 VAL 48 3.125 0.280 -14.322 387 2HG2 VAL 48 2HG2 VAL 48 1.439 0.741 -14.563 388 3HG2 VAL 48 3HG2 VAL 48 1.887 -0.963 -14.504 389 H ASP 49 H ASP 49 0.642 2.702 -11.401 390 HA ASP 49 HA ASP 49 0.412 3.909 -14.023 391 1HB ASP 49 2HB ASP 49 -1.671 4.196 -13.269 392 2HB ASP 49 1HB ASP 49 -1.176 3.680 -11.659 393 H GLY 50 H GLY 50 2.297 4.513 -11.282 394 1HA GLY 50 2HA GLY 50 3.909 6.080 -10.939 395 2HA GLY 50 1HA GLY 50 3.615 6.701 -12.560 396 H ASN 51 H ASN 51 0.750 6.675 -10.698 397 HA ASN 51 HA ASN 51 0.786 9.594 -10.566 398 1HB ASN 51 2HB ASN 51 -1.329 8.273 -10.954 399 2HB ASN 51 1HB ASN 51 -1.194 7.668 -9.297 400 1HD2 ASN 51 1HD2 ASN 51 -3.152 8.788 -8.604 401 2HD2 ASN 51 2HD2 ASN 51 -3.192 10.476 -8.431 402 H GLY 52 H GLY 52 2.286 7.259 -8.901 403 1HA GLY 52 2HA GLY 52 3.529 7.408 -6.906 404 2HA GLY 52 1HA GLY 52 2.797 8.985 -6.620 405 H GLU 53 H GLU 53 0.716 6.289 -7.331 406 HA GLU 53 HA GLU 53 0.158 5.863 -4.449 407 1HB GLU 53 2HB GLU 53 -2.233 6.293 -6.156 408 2HB GLU 53 1HB GLU 53 -1.984 6.742 -4.473 409 1HG GLU 53 2HG GLU 53 -0.495 8.589 -5.203 410 2HG GLU 53 1HG GLU 53 -0.814 8.162 -6.885 411 H LEU 54 H LEU 54 -1.089 3.992 -3.964 412 HA LEU 54 HA LEU 54 -0.658 1.810 -5.844 413 1HB LEU 54 2HB LEU 54 -2.109 2.030 -3.207 414 2HB LEU 54 1HB LEU 54 -1.895 0.561 -4.054 415 HG LEU 54 HG LEU 54 -0.088 0.343 -2.750 416 1HD1 LEU 54 1HD1 LEU 54 0.854 0.745 -5.073 417 2HD1 LEU 54 2HD1 LEU 54 1.971 1.018 -3.749 418 3HD1 LEU 54 3HD1 LEU 54 1.207 2.389 -4.552 419 1HD2 LEU 54 1HD2 LEU 54 -0.168 3.321 -2.598 420 2HD2 LEU 54 2HD2 LEU 54 0.996 2.319 -1.730 421 3HD2 LEU 54 3HD2 LEU 54 -0.714 2.160 -1.396 422 H ASN 55 H ASN 55 -2.018 1.446 -7.440 423 HA ASN 55 HA ASN 55 -4.736 2.557 -7.418 424 1HB ASN 55 2HB ASN 55 -4.664 0.805 -9.566 425 2HB ASN 55 1HB ASN 55 -4.300 2.524 -9.636 426 1HD2 ASN 55 1HD2 ASN 55 -3.079 -0.218 -10.783 427 2HD2 ASN 55 2HD2 ASN 55 -1.415 0.071 -10.647 428 H ALA 56 H ALA 56 -6.490 0.914 -8.279 429 HA ALA 56 HA ALA 56 -7.062 -0.859 -6.121 430 1HB ALA 56 1HB ALA 56 -9.064 -1.334 -7.261 431 2HB ALA 56 2HB ALA 56 -8.342 -0.999 -8.836 432 3HB ALA 56 3HB ALA 56 -8.660 0.322 -7.711 433 H ASP 57 H ASP 57 -6.359 -1.855 -9.552 434 HA ASP 57 HA ASP 57 -6.167 -4.608 -8.897 435 1HB ASP 57 2HB ASP 57 -6.296 -3.629 -11.218 436 2HB ASP 57 1HB ASP 57 -4.594 -3.188 -11.063 437 H GLU 58 H GLU 58 -3.646 -2.101 -8.971 438 HA GLU 58 HA GLU 58 -1.509 -3.917 -8.290 439 1HB GLU 58 2HB GLU 58 -1.788 -0.905 -8.161 440 2HB GLU 58 1HB GLU 58 -0.337 -1.728 -7.604 441 1HG GLU 58 2HG GLU 58 -1.511 -1.961 -10.390 442 2HG GLU 58 1HG GLU 58 -0.131 -0.964 -9.946 443 H PHE 59 H PHE 59 -3.877 -2.065 -6.528 444 HA PHE 59 HA PHE 59 -2.806 -2.051 -3.918 445 1HB PHE 59 2HB PHE 59 -5.486 -2.038 -5.157 446 2HB PHE 59 1HB PHE 59 -5.463 -2.687 -3.542 447 HD1 PHE 59 1HD PHE 59 -6.247 0.106 -5.138 448 HD2 PHE 59 2HD PHE 59 -3.562 -1.169 -2.068 449 HE1 PHE 59 1HE PHE 59 -6.213 2.365 -4.266 450 HE2 PHE 59 2HE PHE 59 -3.531 1.130 -1.179 451 HZ PHE 59 HZ PHE 59 -4.860 2.899 -2.309 452 H THR 60 H THR 60 -4.662 -4.578 -5.649 453 HA THR 60 HA THR 60 -4.672 -6.399 -3.415 454 HB THR 60 HB THR 60 -5.421 -8.066 -5.059 455 HG1 THR 60 1HG THR 60 -5.409 -6.298 -7.152 456 1HG2 THR 60 1HG2 THR 60 -7.401 -6.840 -5.858 457 2HG2 THR 60 2HG2 THR 60 -6.590 -5.311 -5.518 458 3HG2 THR 60 3HG2 THR 60 -7.014 -6.398 -4.196 459 H SER 61 H SER 61 -2.691 -6.194 -6.368 460 HA SER 61 HA SER 61 -0.955 -8.364 -5.573 461 1HB SER 61 2HB SER 61 -1.219 -7.171 -7.904 462 2HB SER 61 1HB SER 61 -0.029 -6.037 -7.260 463 HG SER 61 HG SER 61 0.586 -8.167 -8.433 464 H CYS 62 H CYS 62 -1.362 -5.104 -4.547 465 HA CYS 62 HA CYS 62 1.369 -4.686 -3.618 466 1HB CYS 62 2HB CYS 62 -0.189 -2.794 -4.140 467 2HB CYS 62 1HB CYS 62 -1.159 -3.271 -2.748 468 HG CYS 62 HG CYS 62 1.806 -2.302 -2.497 469 H ILE 63 H ILE 63 -1.659 -5.910 -2.362 470 HA ILE 63 HA ILE 63 -0.476 -6.257 0.318 471 HB ILE 63 HB ILE 63 -3.197 -7.073 -0.722 472 1HG1 ILE 63 2HG1 ILE 63 -3.301 -4.737 -0.841 473 2HG1 ILE 63 1HG1 ILE 63 -3.812 -5.011 0.818 474 1HG2 ILE 63 1HG2 ILE 63 -3.650 -6.928 1.831 475 2HG2 ILE 63 2HG2 ILE 63 -1.898 -7.042 1.992 476 3HG2 ILE 63 3HG2 ILE 63 -2.798 -8.340 1.207 477 1HD1 ILE 63 1HD1 ILE 63 -2.182 -3.286 0.910 478 2HD1 ILE 63 2HD1 ILE 63 -1.092 -4.152 -0.165 479 3HD1 ILE 63 3HD1 ILE 63 -1.370 -4.742 1.476 480 H GLU 64 H GLU 64 -1.364 -8.245 -2.531 481 HA GLU 64 HA GLU 64 -1.097 -10.716 -1.188 482 1HB GLU 64 2HB GLU 64 -1.994 -10.250 -3.561 483 2HB GLU 64 1HB GLU 64 -0.304 -10.213 -4.066 484 1HG GLU 64 2HG GLU 64 -0.996 -12.465 -4.404 485 2HG GLU 64 1HG GLU 64 -0.072 -12.489 -2.901 486 H LYS 65 H LYS 65 1.311 -8.298 -2.136 487 HA LYS 65 HA LYS 65 3.472 -10.283 -2.152 488 1HB LYS 65 2HB LYS 65 3.450 -7.862 -3.163 489 2HB LYS 65 1HB LYS 65 3.868 -7.367 -1.519 490 1HG LYS 65 2HG LYS 65 5.752 -9.006 -1.552 491 2HG LYS 65 1HG LYS 65 5.352 -9.353 -3.233 492 1HD LYS 65 2HD LYS 65 6.300 -7.423 -3.989 493 2HD LYS 65 1HD LYS 65 5.644 -6.494 -2.647 494 1HE LYS 65 2HE LYS 65 8.085 -8.286 -2.526 495 2HE LYS 65 1HE LYS 65 8.108 -6.515 -2.540 496 1HZ LYS 65 1HZ LYS 65 6.354 -7.449 -0.530 497 2HZ LYS 65 2HZ LYS 65 7.753 -6.496 -0.370 498 3HZ LYS 65 3HZ LYS 65 7.867 -8.191 -0.341 499 H MET 66 H MET 66 1.746 -8.372 0.152 500 HA MET 66 HA MET 66 3.606 -9.227 2.331 501 1HB MET 66 2HB MET 66 2.998 -7.358 3.557 502 2HB MET 66 1HB MET 66 2.867 -6.733 1.913 503 1HG MET 66 2HG MET 66 0.397 -7.499 2.042 504 2HG MET 66 1HG MET 66 0.659 -7.595 3.780 505 1HE MET 66 1HE MET 66 0.639 -5.843 5.336 506 2HE MET 66 2HE MET 66 1.082 -4.159 5.064 507 3HE MET 66 3HE MET 66 2.286 -5.428 4.845 508 H LEU 67 H LEU 67 0.307 -9.706 1.155 509 HA LEU 67 HA LEU 67 -0.074 -11.698 3.278 510 1HB LEU 67 2HB LEU 67 -0.962 -9.833 4.449 511 2HB LEU 67 1HB LEU 67 -1.716 -9.177 3.008 512 HG LEU 67 HG LEU 67 -3.399 -10.888 2.993 513 1HD1 LEU 67 1HD1 LEU 67 -1.565 -12.224 4.987 514 2HD1 LEU 67 2HD1 LEU 67 -2.277 -12.896 3.521 515 3HD1 LEU 67 3HD1 LEU 67 -3.281 -12.629 4.943 516 1HD2 LEU 67 1HD2 LEU 67 -2.989 -10.190 5.912 517 2HD2 LEU 67 2HD2 LEU 67 -4.516 -10.471 5.075 518 3HD2 LEU 67 3HD2 LEU 67 -3.568 -9.027 4.719 Start of MODEL 5 1 HA SER 1 HA SER 1 -8.221 -10.926 -0.658 2 1HB SER 1 2HB SER 1 -7.011 -13.128 0.217 3 2HB SER 1 1HB SER 1 -7.085 -12.284 1.760 4 HG SER 1 HG SER 1 -9.042 -13.524 0.384 5 H SER 2 H SER 2 -9.457 -9.813 0.980 6 HA SER 2 HA SER 2 -9.806 -7.982 2.414 7 1HB SER 2 2HB SER 2 -7.394 -8.295 4.012 8 2HB SER 2 1HB SER 2 -9.075 -8.542 4.474 9 HG SER 2 HG SER 2 -7.344 -10.364 3.161 10 H ALA 3 H ALA 3 -7.662 -7.887 0.101 11 HA ALA 3 HA ALA 3 -5.829 -5.835 1.014 12 1HB ALA 3 1HB ALA 3 -5.367 -5.592 -1.457 13 2HB ALA 3 2HB ALA 3 -6.587 -6.833 -1.735 14 3HB ALA 3 3HB ALA 3 -5.131 -7.218 -0.821 15 H LYS 4 H LYS 4 -8.974 -5.877 -0.532 16 HA LYS 4 HA LYS 4 -8.882 -3.002 -1.103 17 1HB LYS 4 2HB LYS 4 -10.224 -4.381 -2.568 18 2HB LYS 4 1HB LYS 4 -11.116 -5.048 -1.207 19 1HG LYS 4 2HG LYS 4 -12.261 -3.024 -0.808 20 2HG LYS 4 1HG LYS 4 -11.084 -2.075 -1.718 21 1HD LYS 4 2HD LYS 4 -12.879 -4.167 -2.983 22 2HD LYS 4 1HD LYS 4 -13.291 -2.455 -2.909 23 1HE LYS 4 2HE LYS 4 -12.243 -2.431 -4.954 24 2HE LYS 4 1HE LYS 4 -10.795 -2.262 -3.962 25 1HZ LYS 4 1HZ LYS 4 -11.655 -4.986 -4.305 26 2HZ LYS 4 2HZ LYS 4 -10.111 -4.301 -4.496 27 3HZ LYS 4 3HZ LYS 4 -11.241 -4.225 -5.763 28 H ARG 5 H ARG 5 -10.083 -5.194 1.356 29 HA ARG 5 HA ARG 5 -11.615 -3.308 2.888 30 1HB ARG 5 2HB ARG 5 -11.609 -5.843 3.126 31 2HB ARG 5 1HB ARG 5 -10.040 -5.677 3.928 32 1HG ARG 5 2HG ARG 5 -11.164 -5.348 5.865 33 2HG ARG 5 1HG ARG 5 -11.697 -3.799 5.215 34 1HD ARG 5 2HD ARG 5 -13.697 -4.823 4.282 35 2HD ARG 5 1HD ARG 5 -13.141 -6.428 4.762 36 HE ARG 5 HE ARG 5 -13.195 -5.009 7.141 37 1HH1 ARG 5 1HH2 ARG 5 -15.389 -5.648 4.558 38 2HH1 ARG 5 2HH2 ARG 5 -16.797 -5.589 5.563 39 1HH2 ARG 5 1HH1 ARG 5 -15.023 -4.930 8.468 40 2HH2 ARG 5 2HH1 ARG 5 -16.591 -5.184 7.777 41 H VAL 6 H VAL 6 -8.289 -4.546 3.282 42 HA VAL 6 HA VAL 6 -7.572 -2.847 5.440 43 HB VAL 6 HB VAL 6 -6.369 -4.900 4.051 44 1HG1 VAL 6 1HG1 VAL 6 -5.517 -3.690 2.230 45 2HG1 VAL 6 2HG1 VAL 6 -4.146 -3.873 3.322 46 3HG1 VAL 6 3HG1 VAL 6 -5.006 -2.341 3.239 47 1HG2 VAL 6 1HG2 VAL 6 -5.425 -2.968 6.137 48 2HG2 VAL 6 2HG2 VAL 6 -4.268 -4.123 5.477 49 3HG2 VAL 6 3HG2 VAL 6 -5.734 -4.699 6.267 50 H PHE 7 H PHE 7 -7.416 -2.449 1.971 51 HA PHE 7 HA PHE 7 -6.080 0.100 1.958 52 1HB PHE 7 2HB PHE 7 -6.174 -1.006 -0.139 53 2HB PHE 7 1HB PHE 7 -7.911 -1.256 -0.020 54 HD1 PHE 7 1HD PHE 7 -6.802 2.061 1.022 55 HD2 PHE 7 2HD PHE 7 -7.921 -0.306 -2.382 56 HE1 PHE 7 1HE PHE 7 -7.269 4.102 -0.253 57 HE2 PHE 7 2HE PHE 7 -8.330 1.768 -3.648 58 HZ PHE 7 HZ PHE 7 -8.046 3.968 -2.565 59 H GLU 8 H GLU 8 -9.584 -0.734 1.983 60 HA GLU 8 HA GLU 8 -10.620 1.875 1.917 61 1HB GLU 8 2HB GLU 8 -11.502 -0.611 3.385 62 2HB GLU 8 1HB GLU 8 -12.397 0.900 3.550 63 1HG GLU 8 2HG GLU 8 -12.771 1.004 1.152 64 2HG GLU 8 1HG GLU 8 -11.741 -0.409 0.895 65 H LYS 9 H LYS 9 -9.593 0.032 4.788 66 HA LYS 9 HA LYS 9 -9.976 2.062 6.706 67 1HB LYS 9 2HB LYS 9 -8.802 -0.506 6.657 68 2HB LYS 9 1HB LYS 9 -7.546 0.566 7.271 69 1HG LYS 9 2HG LYS 9 -10.384 0.509 8.343 70 2HG LYS 9 1HG LYS 9 -9.042 -0.389 9.060 71 1HD LYS 9 2HD LYS 9 -7.971 1.536 9.807 72 2HD LYS 9 1HD LYS 9 -8.696 2.553 8.565 73 1HE LYS 9 2HE LYS 9 -9.644 2.998 10.826 74 2HE LYS 9 1HE LYS 9 -10.864 2.438 9.682 75 1HZ LYS 9 1HZ LYS 9 -10.372 0.143 10.578 76 2HZ LYS 9 2HZ LYS 9 -11.205 1.196 11.617 77 3HZ LYS 9 3HZ LYS 9 -9.547 0.910 11.845 78 H PHE 10 H PHE 10 -7.249 1.534 4.489 79 HA PHE 10 HA PHE 10 -5.792 3.838 5.622 80 1HB PHE 10 2HB PHE 10 -5.099 2.246 3.178 81 2HB PHE 10 1HB PHE 10 -4.018 3.217 4.184 82 HD1 PHE 10 1HD PHE 10 -4.837 2.459 6.911 83 HD2 PHE 10 2HD PHE 10 -4.303 0.012 3.417 84 HE1 PHE 10 1HE PHE 10 -4.368 0.506 8.353 85 HE2 PHE 10 2HE PHE 10 -3.819 -1.938 4.874 86 HZ PHE 10 HZ PHE 10 -3.861 -1.694 7.336 87 H ASP 11 H ASP 11 -8.038 3.222 3.016 88 HA ASP 11 HA ASP 11 -7.228 5.264 1.250 89 1HB ASP 11 2HB ASP 11 -9.244 3.575 1.109 90 2HB ASP 11 1HB ASP 11 -10.135 4.862 1.917 91 H LYS 12 H LYS 12 -6.294 6.698 2.663 92 HA LYS 12 HA LYS 12 -7.887 8.278 4.544 93 1HB LYS 12 2HB LYS 12 -5.804 8.476 5.400 94 2HB LYS 12 1HB LYS 12 -5.147 7.683 3.967 95 1HG LYS 12 2HG LYS 12 -5.055 9.839 2.794 96 2HG LYS 12 1HG LYS 12 -5.731 10.644 4.213 97 1HD LYS 12 2HD LYS 12 -3.793 10.414 5.446 98 2HD LYS 12 1HD LYS 12 -3.338 8.919 4.623 99 1HE LYS 12 2HE LYS 12 -1.813 10.739 3.984 100 2HE LYS 12 1HE LYS 12 -2.769 10.227 2.593 101 1HZ LYS 12 1HZ LYS 12 -3.158 12.423 2.433 102 2HZ LYS 12 2HZ LYS 12 -2.830 12.726 4.072 103 3HZ LYS 12 3HZ LYS 12 -4.344 12.110 3.606 104 H ASN 13 H ASN 13 -7.404 8.194 1.260 105 HA ASN 13 HA ASN 13 -8.123 11.084 0.940 106 1HB ASN 13 2HB ASN 13 -7.192 10.718 -1.444 107 2HB ASN 13 1HB ASN 13 -6.017 10.853 -0.132 108 1HD2 ASN 13 1HD2 ASN 13 -7.980 7.937 -0.464 109 2HD2 ASN 13 2HD2 ASN 13 -6.717 6.927 -0.979 110 H LYS 14 H LYS 14 -9.565 8.352 1.226 111 HA LYS 14 HA LYS 14 -11.250 7.096 -0.015 112 1HB LYS 14 2HB LYS 14 -12.315 9.935 0.063 113 2HB LYS 14 1HB LYS 14 -13.267 8.456 -0.031 114 1HG LYS 14 2HG LYS 14 -11.778 7.901 2.171 115 2HG LYS 14 1HG LYS 14 -11.873 9.657 2.303 116 1HD LYS 14 2HD LYS 14 -14.300 7.896 1.871 117 2HD LYS 14 1HD LYS 14 -13.733 8.391 3.463 118 1HE LYS 14 2HE LYS 14 -13.913 10.776 2.746 119 2HE LYS 14 1HE LYS 14 -14.594 10.231 1.214 120 1HZ LYS 14 1HZ LYS 14 -16.368 9.130 2.470 121 2HZ LYS 14 2HZ LYS 14 -16.348 10.808 2.735 122 3HZ LYS 14 3HZ LYS 14 -15.732 9.752 3.915 123 H ASP 15 H ASP 15 -9.312 7.564 -1.707 124 HA ASP 15 HA ASP 15 -10.505 8.825 -4.134 125 1HB ASP 15 2HB ASP 15 -8.241 9.603 -3.199 126 2HB ASP 15 1HB ASP 15 -7.601 8.070 -3.805 127 H GLY 16 H GLY 16 -9.109 5.723 -2.931 128 1HA GLY 16 2HA GLY 16 -9.755 3.666 -4.004 129 2HA GLY 16 1HA GLY 16 -9.998 4.564 -5.514 130 H LYS 17 H LYS 17 -7.440 5.660 -3.680 131 HA LYS 17 HA LYS 17 -5.408 3.867 -4.737 132 1HB LYS 17 2HB LYS 17 -5.322 6.777 -5.469 133 2HB LYS 17 1HB LYS 17 -4.130 5.535 -5.814 134 1HG LYS 17 2HG LYS 17 -5.220 5.460 -7.836 135 2HG LYS 17 1HG LYS 17 -6.275 4.367 -6.953 136 1HD LYS 17 2HD LYS 17 -7.778 5.901 -7.922 137 2HD LYS 17 1HD LYS 17 -7.578 6.515 -6.277 138 1HE LYS 17 2HE LYS 17 -7.232 8.460 -7.511 139 2HE LYS 17 1HE LYS 17 -5.577 7.867 -7.360 140 1HZ LYS 17 1HZ LYS 17 -6.994 6.754 -9.597 141 2HZ LYS 17 2HZ LYS 17 -5.451 7.462 -9.531 142 3HZ LYS 17 3HZ LYS 17 -6.831 8.440 -9.688 143 H LEU 18 H LEU 18 -3.535 4.023 -3.691 144 HA LEU 18 HA LEU 18 -3.416 5.828 -1.326 145 1HB LEU 18 2HB LEU 18 -2.972 3.002 -1.619 146 2HB LEU 18 1HB LEU 18 -1.693 3.833 -0.821 147 HG LEU 18 HG LEU 18 -3.355 4.915 0.639 148 1HD1 LEU 18 1HD1 LEU 18 -5.281 4.558 -0.876 149 2HD1 LEU 18 2HD1 LEU 18 -5.550 4.031 0.790 150 3HD1 LEU 18 3HD1 LEU 18 -5.188 2.847 -0.456 151 1HD2 LEU 18 1HD2 LEU 18 -1.999 2.806 1.065 152 2HD2 LEU 18 2HD2 LEU 18 -3.488 1.931 0.714 153 3HD2 LEU 18 3HD2 LEU 18 -3.420 3.048 2.068 154 H SER 19 H SER 19 -1.353 6.472 -0.683 155 HA SER 19 HA SER 19 0.587 6.679 -2.928 156 1HB SER 19 2HB SER 19 0.611 8.264 -0.388 157 2HB SER 19 1HB SER 19 1.364 8.677 -1.927 158 HG SER 19 HG SER 19 -0.824 9.633 -1.192 159 H LEU 20 H LEU 20 2.816 6.231 -2.372 160 HA LEU 20 HA LEU 20 3.256 4.006 -0.745 161 1HB LEU 20 2HB LEU 20 4.835 5.148 -2.422 162 2HB LEU 20 1HB LEU 20 5.236 6.260 -1.126 163 HG LEU 20 HG LEU 20 6.599 4.023 -1.594 164 1HD1 LEU 20 1HD1 LEU 20 7.220 4.130 0.864 165 2HD1 LEU 20 2HD1 LEU 20 5.980 5.377 0.995 166 3HD1 LEU 20 3HD1 LEU 20 7.364 5.621 -0.063 167 1HD2 LEU 20 1HD2 LEU 20 4.416 2.733 -0.940 168 2HD2 LEU 20 2HD2 LEU 20 4.886 3.117 0.693 169 3HD2 LEU 20 3HD2 LEU 20 5.952 2.165 -0.336 170 H ASP 21 H ASP 21 2.759 7.217 -0.095 171 HA ASP 21 HA ASP 21 3.796 7.394 2.588 172 1HB ASP 21 2HB ASP 21 3.019 9.323 1.009 173 2HB ASP 21 1HB ASP 21 1.408 8.969 1.629 174 H GLU 22 H GLU 22 0.466 6.619 1.265 175 HA GLU 22 HA GLU 22 -0.586 6.156 3.892 176 1HB GLU 22 2HB GLU 22 -1.501 5.487 1.116 177 2HB GLU 22 1HB GLU 22 -2.375 4.927 2.540 178 1HG GLU 22 2HG GLU 22 -3.288 7.068 1.699 179 2HG GLU 22 1HG GLU 22 -2.625 7.229 3.324 180 H PHE 23 H PHE 23 0.747 4.058 1.365 181 HA PHE 23 HA PHE 23 0.260 1.617 2.778 182 1HB PHE 23 2HB PHE 23 0.572 1.633 0.362 183 2HB PHE 23 1HB PHE 23 2.197 2.221 0.595 184 HD1 PHE 23 1HD PHE 23 3.880 0.828 1.793 185 HD2 PHE 23 2HD PHE 23 0.047 -0.689 0.629 186 HE1 PHE 23 1HE PHE 23 4.713 -1.488 2.104 187 HE2 PHE 23 2HE PHE 23 0.868 -3.007 0.941 188 HZ PHE 23 HZ PHE 23 3.201 -3.411 1.682 189 H ARG 24 H ARG 24 2.748 4.099 2.881 190 HA ARG 24 HA ARG 24 4.746 2.414 4.216 191 1HB ARG 24 2HB ARG 24 5.532 4.275 2.878 192 2HB ARG 24 1HB ARG 24 4.522 5.405 3.780 193 1HG ARG 24 2HG ARG 24 5.787 4.988 5.793 194 2HG ARG 24 1HG ARG 24 6.731 3.735 4.998 195 1HD ARG 24 2HD ARG 24 8.115 5.663 4.942 196 2HD ARG 24 1HD ARG 24 7.413 5.561 3.329 197 HE ARG 24 HE ARG 24 5.643 7.180 4.700 198 1HH1 ARG 24 1HH2 ARG 24 9.047 7.106 4.162 199 2HH1 ARG 24 2HH2 ARG 24 9.230 8.827 4.226 200 1HH2 ARG 24 1HH1 ARG 24 5.860 9.429 4.786 201 2HH2 ARG 24 2HH1 ARG 24 7.426 10.142 4.580 202 H GLU 25 H GLU 25 2.132 4.515 5.012 203 HA GLU 25 HA GLU 25 2.752 4.637 7.897 204 1HB GLU 25 2HB GLU 25 1.175 6.231 6.426 205 2HB GLU 25 1HB GLU 25 -0.043 5.023 6.835 206 1HG GLU 25 2HG GLU 25 0.395 5.340 9.222 207 2HG GLU 25 1HG GLU 25 1.689 6.482 8.854 208 H VAL 26 H VAL 26 0.877 2.893 5.601 209 HA VAL 26 HA VAL 26 -0.581 1.041 7.199 210 HB VAL 26 HB VAL 26 0.346 1.477 4.453 211 1HG1 VAL 26 1HG1 VAL 26 1.093 -0.747 4.439 212 2HG1 VAL 26 2HG1 VAL 26 -0.505 -0.784 3.694 213 3HG1 VAL 26 3HG1 VAL 26 -0.304 -1.294 5.371 214 1HG2 VAL 26 1HG2 VAL 26 -1.995 0.770 3.937 215 2HG2 VAL 26 2HG2 VAL 26 -1.807 2.214 4.933 216 3HG2 VAL 26 3HG2 VAL 26 -2.227 0.676 5.681 217 H ALA 27 H ALA 27 2.532 0.952 5.589 218 HA ALA 27 HA ALA 27 3.142 -1.739 6.384 219 1HB ALA 27 1HB ALA 27 5.005 0.370 5.274 220 2HB ALA 27 2HB ALA 27 3.966 -0.653 4.283 221 3HB ALA 27 3HB ALA 27 5.255 -1.376 5.244 222 H LEU 28 H LEU 28 4.152 1.457 7.393 223 HA LEU 28 HA LEU 28 6.055 0.516 9.377 224 1HB LEU 28 2HB LEU 28 4.772 3.160 8.776 225 2HB LEU 28 1HB LEU 28 5.666 2.946 10.278 226 HG LEU 28 HG LEU 28 7.708 2.650 9.197 227 1HD1 LEU 28 1HD1 LEU 28 7.311 0.854 7.705 228 2HD1 LEU 28 2HD1 LEU 28 7.781 2.187 6.657 229 3HD1 LEU 28 3HD1 LEU 28 6.085 1.753 6.815 230 1HD2 LEU 28 1HD2 LEU 28 7.537 4.268 7.076 231 2HD2 LEU 28 2HD2 LEU 28 7.390 4.880 8.721 232 3HD2 LEU 28 3HD2 LEU 28 5.944 4.586 7.763 233 H ALA 29 H ALA 29 2.604 1.249 9.378 234 HA ALA 29 HA ALA 29 2.359 1.258 12.261 235 1HB ALA 29 1HB ALA 29 0.777 2.463 10.860 236 2HB ALA 29 2HB ALA 29 -0.080 1.182 11.716 237 3HB ALA 29 3HB ALA 29 0.344 0.976 10.017 238 H PHE 30 H PHE 30 1.129 -1.041 9.794 239 HA PHE 30 HA PHE 30 0.630 -3.061 11.840 240 1HB PHE 30 2HB PHE 30 -0.914 -3.044 10.037 241 2HB PHE 30 1HB PHE 30 0.375 -3.001 8.831 242 HD1 PHE 30 1HD PHE 30 -0.772 -5.135 11.708 243 HD2 PHE 30 2HD PHE 30 0.928 -5.001 7.764 244 HE1 PHE 30 1HE PHE 30 -0.770 -7.613 11.622 245 HE2 PHE 30 2HE PHE 30 0.929 -7.478 7.680 246 HZ PHE 30 HZ PHE 30 0.080 -8.784 9.609 247 H SER 31 H SER 31 2.909 -2.790 9.099 248 HA SER 31 HA SER 31 4.484 -5.024 10.332 249 1HB SER 31 2HB SER 31 3.948 -4.214 7.503 250 2HB SER 31 1HB SER 31 5.488 -4.982 7.878 251 HG SER 31 HG SER 31 4.475 -6.797 8.373 252 HA PRO 32 HA PRO 32 6.773 -0.922 10.746 253 1HB PRO 32 2HB PRO 32 7.920 -1.761 13.173 254 2HB PRO 32 1HB PRO 32 6.516 -0.690 12.998 255 1HG PRO 32 2HG PRO 32 6.621 -3.595 13.593 256 2HG PRO 32 1HG PRO 32 5.468 -2.363 14.143 257 1HD PRO 32 2HD PRO 32 4.837 -4.169 12.224 258 2HD PRO 32 1HD PRO 32 4.177 -2.518 12.211 259 H TYR 33 H TYR 33 7.650 -4.309 10.769 260 HA TYR 33 HA TYR 33 10.512 -3.830 10.732 261 1HB TYR 33 2HB TYR 33 9.124 -6.304 9.697 262 2HB TYR 33 1HB TYR 33 10.723 -6.169 10.437 263 HD1 TYR 33 1HD TYR 33 10.888 -5.536 12.893 264 HD2 TYR 33 2HD TYR 33 7.183 -6.645 11.023 265 HE1 TYR 33 1HE TYR 33 9.893 -5.970 15.122 266 HE2 TYR 33 2HE TYR 33 6.188 -7.079 13.253 267 HH TYR 33 HH TYR 33 8.137 -7.008 16.178 268 H PHE 34 H PHE 34 8.055 -3.380 8.414 269 HA PHE 34 HA PHE 34 9.501 -4.212 6.057 270 1HB PHE 34 2HB PHE 34 7.014 -2.739 6.576 271 2HB PHE 34 1HB PHE 34 7.951 -1.975 5.323 272 HD1 PHE 34 1HD PHE 34 5.360 -4.124 5.703 273 HD2 PHE 34 2HD PHE 34 9.193 -3.974 3.775 274 HE1 PHE 34 1HE PHE 34 4.607 -5.841 4.081 275 HE2 PHE 34 2HE PHE 34 8.442 -5.694 2.151 276 HZ PHE 34 HZ PHE 34 6.150 -6.625 2.303 277 H THR 35 H THR 35 11.255 -3.386 5.241 278 HA THR 35 HA THR 35 12.291 -0.906 6.354 279 HB THR 35 HB THR 35 13.826 -1.664 4.091 280 HG1 THR 35 1HG THR 35 13.873 -3.923 5.530 281 1HG2 THR 35 1HG2 THR 35 15.423 -2.255 5.871 282 2HG2 THR 35 2HG2 THR 35 14.111 -2.185 7.049 283 3HG2 THR 35 3HG2 THR 35 14.611 -0.723 6.195 284 H GLN 36 H GLN 36 12.414 1.018 5.369 285 HA GLN 36 HA GLN 36 10.415 1.818 3.606 286 1HB GLN 36 2HB GLN 36 11.963 3.226 5.055 287 2HB GLN 36 1HB GLN 36 13.145 3.081 3.753 288 1HG GLN 36 2HG GLN 36 11.701 5.154 3.621 289 2HG GLN 36 1HG GLN 36 11.683 4.161 2.176 290 1HE2 GLN 36 1HE2 GLN 36 9.561 4.617 1.448 291 2HE2 GLN 36 2HE2 GLN 36 8.169 4.255 2.346 292 H GLU 37 H GLU 37 13.515 0.403 2.914 293 HA GLU 37 HA GLU 37 13.494 1.100 0.068 294 1HB GLU 37 2HB GLU 37 15.115 -0.803 1.770 295 2HB GLU 37 1HB GLU 37 15.244 -0.837 0.012 296 1HG GLU 37 2HG GLU 37 15.530 1.734 1.572 297 2HG GLU 37 1HG GLU 37 16.907 0.672 1.274 298 H ASP 38 H ASP 38 12.471 -1.659 2.040 299 HA ASP 38 HA ASP 38 11.766 -3.306 -0.250 300 1HB ASP 38 2HB ASP 38 11.157 -3.416 2.703 301 2HB ASP 38 1HB ASP 38 10.400 -4.543 1.575 302 H ILE 39 H ILE 39 10.054 -1.059 1.892 303 HA ILE 39 HA ILE 39 7.411 -1.546 0.852 304 HB ILE 39 HB ILE 39 8.490 1.035 2.027 305 1HG1 ILE 39 2HG1 ILE 39 7.139 -1.171 3.571 306 2HG1 ILE 39 1HG1 ILE 39 8.890 -1.142 3.371 307 1HG2 ILE 39 1HG2 ILE 39 5.824 0.351 2.839 308 2HG2 ILE 39 2HG2 ILE 39 5.914 0.241 1.080 309 3HG2 ILE 39 3HG2 ILE 39 6.353 1.742 1.895 310 1HD1 ILE 39 1HD1 ILE 39 7.384 0.262 5.302 311 2HD1 ILE 39 2HD1 ILE 39 7.921 1.487 4.157 312 3HD1 ILE 39 3HD1 ILE 39 9.102 0.455 4.962 313 H VAL 40 H VAL 40 9.889 0.844 0.121 314 HA VAL 40 HA VAL 40 8.342 2.115 -1.971 315 HB VAL 40 HB VAL 40 10.413 3.344 -2.404 316 1HG1 VAL 40 1HG1 VAL 40 9.510 2.914 0.431 317 2HG1 VAL 40 2HG1 VAL 40 8.962 4.149 -0.700 318 3HG1 VAL 40 3HG1 VAL 40 10.594 4.225 -0.035 319 1HG2 VAL 40 1HG2 VAL 40 11.505 1.149 -0.762 320 2HG2 VAL 40 2HG2 VAL 40 12.195 2.758 -0.530 321 3HG2 VAL 40 3HG2 VAL 40 12.230 2.000 -2.119 322 H LYS 41 H LYS 41 10.914 -0.376 -1.948 323 HA LYS 41 HA LYS 41 11.277 -0.405 -4.790 324 1HB LYS 41 2HB LYS 41 12.668 -1.719 -3.126 325 2HB LYS 41 1HB LYS 41 11.287 -2.802 -2.908 326 1HG LYS 41 2HG LYS 41 11.333 -3.346 -5.315 327 2HG LYS 41 1HG LYS 41 12.702 -2.258 -5.539 328 1HD LYS 41 2HD LYS 41 13.891 -4.207 -5.249 329 2HD LYS 41 1HD LYS 41 13.707 -3.776 -3.550 330 1HE LYS 41 2HE LYS 41 11.845 -5.608 -5.094 331 2HE LYS 41 1HE LYS 41 13.092 -6.142 -3.969 332 1HZ LYS 41 1HZ LYS 41 11.071 -6.078 -2.779 333 2HZ LYS 41 2HZ LYS 41 10.677 -4.533 -3.367 334 3HZ LYS 41 3HZ LYS 41 11.959 -4.725 -2.268 335 H PHE 42 H PHE 42 9.264 -2.414 -2.678 336 HA PHE 42 HA PHE 42 7.696 -3.637 -4.661 337 1HB PHE 42 2HB PHE 42 7.462 -4.698 -2.661 338 2HB PHE 42 1HB PHE 42 7.643 -3.214 -1.739 339 HD1 PHE 42 1HD PHE 42 5.736 -1.786 -1.245 340 HD2 PHE 42 2HD PHE 42 5.306 -5.436 -3.452 341 HE1 PHE 42 1HE PHE 42 3.297 -1.747 -0.825 342 HE2 PHE 42 2HE PHE 42 2.868 -5.404 -3.033 343 HZ PHE 42 HZ PHE 42 1.871 -3.567 -1.699 344 H PHE 43 H PHE 43 6.923 -0.663 -2.722 345 HA PHE 43 HA PHE 43 4.392 -0.222 -4.046 346 1HB PHE 43 2HB PHE 43 4.872 0.880 -1.968 347 2HB PHE 43 1HB PHE 43 6.316 1.636 -2.639 348 HD1 PHE 43 1HD PHE 43 2.835 2.011 -2.027 349 HD2 PHE 43 2HD PHE 43 5.955 3.237 -4.700 350 HE1 PHE 43 1HE PHE 43 1.517 3.996 -2.678 351 HE2 PHE 43 2HE PHE 43 4.604 5.184 -5.359 352 HZ PHE 43 HZ PHE 43 2.391 5.566 -4.361 353 H GLU 44 H GLU 44 7.589 1.194 -4.533 354 HA GLU 44 HA GLU 44 6.941 2.800 -6.816 355 1HB GLU 44 2HB GLU 44 9.566 1.387 -6.222 356 2HB GLU 44 1HB GLU 44 9.351 2.681 -7.397 357 1HG GLU 44 2HG GLU 44 8.469 3.135 -4.559 358 2HG GLU 44 1HG GLU 44 10.187 3.250 -4.957 359 H GLU 45 H GLU 45 7.625 -0.599 -6.422 360 HA GLU 45 HA GLU 45 7.801 -1.237 -9.245 361 1HB GLU 45 2HB GLU 45 8.919 -2.649 -7.633 362 2HB GLU 45 1HB GLU 45 7.416 -2.839 -6.716 363 1HG GLU 45 2HG GLU 45 6.420 -4.144 -8.394 364 2HG GLU 45 1HG GLU 45 7.643 -3.721 -9.592 365 H ILE 46 H ILE 46 5.295 -1.243 -6.748 366 HA ILE 46 HA ILE 46 3.387 -2.544 -8.572 367 HB ILE 46 HB ILE 46 3.693 -2.645 -5.861 368 1HG1 ILE 46 2HG1 ILE 46 1.266 -3.548 -5.916 369 2HG1 ILE 46 1HG1 ILE 46 1.305 -3.150 -7.632 370 1HG2 ILE 46 1HG2 ILE 46 1.266 -0.938 -6.284 371 2HG2 ILE 46 2HG2 ILE 46 2.820 -0.274 -5.770 372 3HG2 ILE 46 3HG2 ILE 46 1.988 -1.452 -4.764 373 1HD1 ILE 46 1HD1 ILE 46 3.518 -4.795 -6.416 374 2HD1 ILE 46 2HD1 ILE 46 2.976 -4.733 -8.093 375 3HD1 ILE 46 3HD1 ILE 46 1.998 -5.556 -6.881 376 H ASP 47 H ASP 47 4.033 0.708 -7.298 377 HA ASP 47 HA ASP 47 1.535 1.834 -8.264 378 1HB ASP 47 2HB ASP 47 2.811 3.122 -6.645 379 2HB ASP 47 1HB ASP 47 4.251 3.069 -7.666 380 H VAL 48 H VAL 48 1.531 0.629 -10.353 381 HA VAL 48 HA VAL 48 3.631 1.019 -12.290 382 HB VAL 48 HB VAL 48 2.195 -0.962 -12.179 383 1HG1 VAL 48 1HG1 VAL 48 0.166 0.639 -11.543 384 2HG1 VAL 48 2HG1 VAL 48 -0.118 -0.900 -12.358 385 3HG1 VAL 48 3HG1 VAL 48 -0.108 0.600 -13.283 386 1HG2 VAL 48 1HG2 VAL 48 1.486 0.535 -14.707 387 2HG2 VAL 48 2HG2 VAL 48 1.842 -1.182 -14.523 388 3HG2 VAL 48 3HG2 VAL 48 3.139 0.006 -14.391 389 H ASP 49 H ASP 49 0.597 2.648 -11.674 390 HA ASP 49 HA ASP 49 0.436 3.750 -14.349 391 1HB ASP 49 2HB ASP 49 -1.680 3.830 -13.575 392 2HB ASP 49 1HB ASP 49 -1.145 3.771 -11.898 393 H GLY 50 H GLY 50 2.235 4.483 -11.569 394 1HA GLY 50 2HA GLY 50 3.865 6.053 -11.315 395 2HA GLY 50 1HA GLY 50 3.494 6.692 -12.913 396 H ASN 51 H ASN 51 0.734 6.545 -10.873 397 HA ASN 51 HA ASN 51 0.671 9.467 -10.739 398 1HB ASN 51 2HB ASN 51 -1.458 9.042 -9.422 399 2HB ASN 51 1HB ASN 51 -1.458 8.354 -11.049 400 1HD2 ASN 51 1HD2 ASN 51 0.674 6.591 -9.083 401 2HD2 ASN 51 2HD2 ASN 51 -0.374 5.324 -8.656 402 H GLY 52 H GLY 52 2.242 7.114 -9.088 403 1HA GLY 52 2HA GLY 52 3.535 7.278 -7.126 404 2HA GLY 52 1HA GLY 52 2.855 8.885 -6.868 405 H GLU 53 H GLU 53 0.670 6.253 -7.456 406 HA GLU 53 HA GLU 53 0.182 5.886 -4.556 407 1HB GLU 53 2HB GLU 53 -2.246 6.355 -6.198 408 2HB GLU 53 1HB GLU 53 -1.937 6.822 -4.531 409 1HG GLU 53 2HG GLU 53 -0.418 8.617 -5.340 410 2HG GLU 53 1HG GLU 53 -0.818 8.177 -7.002 411 H LEU 54 H LEU 54 -1.133 4.053 -4.028 412 HA LEU 54 HA LEU 54 -0.772 1.849 -5.896 413 1HB LEU 54 2HB LEU 54 -2.190 2.111 -3.248 414 2HB LEU 54 1HB LEU 54 -1.995 0.633 -4.086 415 HG LEU 54 HG LEU 54 -0.174 0.407 -2.813 416 1HD1 LEU 54 1HD1 LEU 54 1.114 2.456 -4.615 417 2HD1 LEU 54 2HD1 LEU 54 0.738 0.825 -5.148 418 3HD1 LEU 54 3HD1 LEU 54 1.875 1.066 -3.839 419 1HD2 LEU 54 1HD2 LEU 54 0.923 2.371 -1.785 420 2HD2 LEU 54 2HD2 LEU 54 -0.783 2.209 -1.442 421 3HD2 LEU 54 3HD2 LEU 54 -0.241 3.381 -2.637 422 H ASN 55 H ASN 55 -2.146 1.539 -7.491 423 HA ASN 55 HA ASN 55 -4.852 2.662 -7.434 424 1HB ASN 55 2HB ASN 55 -4.794 0.875 -9.570 425 2HB ASN 55 1HB ASN 55 -4.479 2.603 -9.661 426 1HD2 ASN 55 1HD2 ASN 55 -3.200 -0.120 -10.797 427 2HD2 ASN 55 2HD2 ASN 55 -1.543 0.217 -10.687 428 H ALA 56 H ALA 56 -6.625 0.998 -8.286 429 HA ALA 56 HA ALA 56 -7.138 -0.768 -6.095 430 1HB ALA 56 1HB ALA 56 -9.093 -1.479 -7.475 431 2HB ALA 56 2HB ALA 56 -8.461 -0.479 -8.785 432 3HB ALA 56 3HB ALA 56 -8.948 0.265 -7.262 433 H ASP 57 H ASP 57 -6.576 -1.769 -9.557 434 HA ASP 57 HA ASP 57 -6.359 -4.511 -8.916 435 1HB ASP 57 2HB ASP 57 -6.491 -3.447 -11.233 436 2HB ASP 57 1HB ASP 57 -4.761 -3.142 -11.088 437 H GLU 58 H GLU 58 -3.823 -2.024 -9.060 438 HA GLU 58 HA GLU 58 -1.692 -3.844 -8.385 439 1HB GLU 58 2HB GLU 58 -1.931 -0.828 -8.262 440 2HB GLU 58 1HB GLU 58 -0.478 -1.673 -7.740 441 1HG GLU 58 2HG GLU 58 -1.730 -1.870 -10.497 442 2HG GLU 58 1HG GLU 58 -0.302 -0.925 -10.084 443 H PHE 59 H PHE 59 -4.028 -1.977 -6.596 444 HA PHE 59 HA PHE 59 -2.906 -1.926 -4.017 445 1HB PHE 59 2HB PHE 59 -5.610 -1.944 -5.186 446 2HB PHE 59 1HB PHE 59 -5.549 -2.602 -3.577 447 HD1 PHE 59 1HD PHE 59 -6.374 0.207 -5.143 448 HD2 PHE 59 2HD PHE 59 -3.635 -1.082 -2.127 449 HE1 PHE 59 1HE PHE 59 -6.321 2.464 -4.264 450 HE2 PHE 59 2HE PHE 59 -3.588 1.211 -1.229 451 HZ PHE 59 HZ PHE 59 -4.936 2.989 -2.327 452 H THR 60 H THR 60 -4.779 -4.509 -5.664 453 HA THR 60 HA THR 60 -4.675 -6.334 -3.432 454 HB THR 60 HB THR 60 -5.307 -8.039 -5.159 455 HG1 THR 60 1HG THR 60 -4.798 -7.576 -7.127 456 1HG2 THR 60 1HG2 THR 60 -6.992 -6.639 -4.024 457 2HG2 THR 60 2HG2 THR 60 -7.470 -6.988 -5.685 458 3HG2 THR 60 3HG2 THR 60 -6.804 -5.408 -5.273 459 H SER 61 H SER 61 -2.818 -6.125 -6.477 460 HA SER 61 HA SER 61 -0.958 -8.199 -5.780 461 1HB SER 61 2HB SER 61 -1.277 -7.023 -8.065 462 2HB SER 61 1HB SER 61 -0.258 -5.743 -7.409 463 HG SER 61 HG SER 61 1.298 -7.005 -8.064 464 H CYS 62 H CYS 62 -1.511 -5.032 -4.609 465 HA CYS 62 HA CYS 62 1.155 -4.371 -3.704 466 1HB CYS 62 2HB CYS 62 -1.222 -3.032 -3.812 467 2HB CYS 62 1HB CYS 62 -1.175 -3.453 -2.110 468 HG CYS 62 HG CYS 62 0.400 -1.253 -3.321 469 H ILE 63 H ILE 63 -1.701 -5.934 -2.356 470 HA ILE 63 HA ILE 63 -0.306 -6.599 0.122 471 HB ILE 63 HB ILE 63 -2.940 -7.717 -0.846 472 1HG1 ILE 63 2HG1 ILE 63 -3.166 -5.343 -1.055 473 2HG1 ILE 63 1HG1 ILE 63 -3.876 -5.754 0.501 474 1HG2 ILE 63 1HG2 ILE 63 -2.136 -7.025 1.977 475 2HG2 ILE 63 2HG2 ILE 63 -1.632 -8.557 1.261 476 3HG2 ILE 63 3HG2 ILE 63 -3.347 -8.182 1.425 477 1HD1 ILE 63 1HD1 ILE 63 -2.492 -3.892 0.966 478 2HD1 ILE 63 2HD1 ILE 63 -1.188 -4.506 -0.049 479 3HD1 ILE 63 3HD1 ILE 63 -1.548 -5.286 1.494 480 H GLU 64 H GLU 64 -1.087 -8.316 -2.994 481 HA GLU 64 HA GLU 64 -0.534 -10.896 -2.152 482 1HB GLU 64 2HB GLU 64 -1.190 -10.117 -4.482 483 2HB GLU 64 1HB GLU 64 0.496 -9.650 -4.714 484 1HG GLU 64 2HG GLU 64 1.200 -11.972 -4.224 485 2HG GLU 64 1HG GLU 64 -0.492 -12.435 -4.039 486 H LYS 65 H LYS 65 1.604 -8.097 -2.374 487 HA LYS 65 HA LYS 65 4.100 -9.473 -2.526 488 1HB LYS 65 2HB LYS 65 4.165 -7.112 -2.596 489 2HB LYS 65 1HB LYS 65 3.181 -6.943 -1.149 490 1HG LYS 65 2HG LYS 65 5.504 -6.410 -0.636 491 2HG LYS 65 1HG LYS 65 5.038 -7.897 0.184 492 1HD LYS 65 2HD LYS 65 6.365 -9.230 -1.177 493 2HD LYS 65 1HD LYS 65 6.236 -8.132 -2.550 494 1HE LYS 65 2HE LYS 65 8.497 -8.308 -1.162 495 2HE LYS 65 1HE LYS 65 7.950 -6.752 -1.786 496 1HZ LYS 65 1HZ LYS 65 8.015 -6.055 0.305 497 2HZ LYS 65 2HZ LYS 65 8.226 -7.626 0.916 498 3HZ LYS 65 3HZ LYS 65 6.664 -7.031 0.613 499 H MET 66 H MET 66 1.582 -9.738 -0.374 500 HA MET 66 HA MET 66 2.921 -11.637 1.321 501 1HB MET 66 2HB MET 66 2.200 -10.430 3.443 502 2HB MET 66 1HB MET 66 3.558 -9.677 2.610 503 1HG MET 66 2HG MET 66 0.753 -8.796 1.975 504 2HG MET 66 1HG MET 66 1.559 -8.182 3.415 505 1HE MET 66 1HE MET 66 2.318 -5.505 2.819 506 2HE MET 66 2HE MET 66 0.780 -6.170 2.276 507 3HE MET 66 3HE MET 66 1.754 -5.205 1.169 508 H LEU 67 H LEU 67 0.869 -11.969 3.160 509 HA LEU 67 HA LEU 67 -1.252 -12.937 3.254 510 1HB LEU 67 2HB LEU 67 -1.602 -10.325 2.957 511 2HB LEU 67 1HB LEU 67 -2.221 -10.799 1.377 512 HG LEU 67 HG LEU 67 -4.091 -10.707 2.916 513 1HD1 LEU 67 1HD1 LEU 67 -3.867 -12.642 1.260 514 2HD1 LEU 67 2HD1 LEU 67 -4.987 -12.892 2.599 515 3HD1 LEU 67 3HD1 LEU 67 -3.388 -13.635 2.636 516 1HD2 LEU 67 1HD2 LEU 67 -2.352 -11.261 4.902 517 2HD2 LEU 67 2HD2 LEU 67 -3.016 -12.877 4.667 518 3HD2 LEU 67 3HD2 LEU 67 -4.086 -11.535 5.065 Start of MODEL 6 1 HA SER 1 HA SER 1 -7.347 -11.079 -0.744 2 1HB SER 1 2HB SER 1 -8.132 -13.314 0.162 3 2HB SER 1 1HB SER 1 -8.360 -12.524 1.719 4 HG SER 1 HG SER 1 -9.449 -11.077 -0.285 5 H SER 2 H SER 2 -9.377 -10.071 0.880 6 HA SER 2 HA SER 2 -9.862 -8.095 2.058 7 1HB SER 2 2HB SER 2 -7.748 -8.169 4.007 8 2HB SER 2 1HB SER 2 -9.451 -8.566 4.222 9 HG SER 2 HG SER 2 -8.394 -10.428 4.642 10 H ALA 3 H ALA 3 -7.661 -8.080 -0.088 11 HA ALA 3 HA ALA 3 -5.765 -6.096 0.853 12 1HB ALA 3 1HB ALA 3 -6.491 -6.945 -1.960 13 2HB ALA 3 2HB ALA 3 -5.172 -7.599 -0.987 14 3HB ALA 3 3HB ALA 3 -5.125 -5.919 -1.524 15 H LYS 4 H LYS 4 -8.863 -6.052 -0.799 16 HA LYS 4 HA LYS 4 -8.704 -3.175 -1.339 17 1HB LYS 4 2HB LYS 4 -10.051 -4.326 -2.897 18 2HB LYS 4 1HB LYS 4 -10.834 -5.289 -1.651 19 1HG LYS 4 2HG LYS 4 -12.266 -3.562 -1.021 20 2HG LYS 4 1HG LYS 4 -11.159 -2.305 -1.572 21 1HD LYS 4 2HD LYS 4 -12.555 -4.205 -3.472 22 2HD LYS 4 1HD LYS 4 -13.235 -2.648 -3.013 23 1HE LYS 4 2HE LYS 4 -10.501 -2.215 -3.762 24 2HE LYS 4 1HE LYS 4 -11.268 -3.180 -5.024 25 1HZ LYS 4 1HZ LYS 4 -11.770 -1.024 -5.626 26 2HZ LYS 4 2HZ LYS 4 -12.015 -0.510 -4.025 27 3HZ LYS 4 3HZ LYS 4 -13.168 -1.495 -4.791 28 H ARG 5 H ARG 5 -10.074 -5.369 1.044 29 HA ARG 5 HA ARG 5 -11.619 -3.482 2.539 30 1HB ARG 5 2HB ARG 5 -11.578 -6.031 2.782 31 2HB ARG 5 1HB ARG 5 -10.063 -5.825 3.668 32 1HG ARG 5 2HG ARG 5 -12.349 -4.125 4.565 33 2HG ARG 5 1HG ARG 5 -12.500 -5.850 4.880 34 1HD ARG 5 2HD ARG 5 -10.242 -5.806 5.959 35 2HD ARG 5 1HD ARG 5 -10.210 -4.057 5.742 36 HE ARG 5 HE ARG 5 -12.590 -4.512 7.083 37 1HH1 ARG 5 1HH2 ARG 5 -9.272 -5.337 7.521 38 2HH1 ARG 5 2HH2 ARG 5 -9.366 -5.351 9.252 39 1HH2 ARG 5 1HH1 ARG 5 -12.732 -4.524 9.338 40 2HH2 ARG 5 2HH1 ARG 5 -11.325 -4.890 10.280 41 H VAL 6 H VAL 6 -8.296 -4.689 3.002 42 HA VAL 6 HA VAL 6 -7.634 -2.997 5.181 43 HB VAL 6 HB VAL 6 -6.379 -5.018 3.799 44 1HG1 VAL 6 1HG1 VAL 6 -4.167 -3.948 3.092 45 2HG1 VAL 6 2HG1 VAL 6 -5.065 -2.437 2.987 46 3HG1 VAL 6 3HG1 VAL 6 -5.531 -3.807 1.986 47 1HG2 VAL 6 1HG2 VAL 6 -5.756 -4.814 6.016 48 2HG2 VAL 6 2HG2 VAL 6 -5.492 -3.077 5.899 49 3HG2 VAL 6 3HG2 VAL 6 -4.300 -4.197 5.240 50 H PHE 7 H PHE 7 -7.460 -2.553 1.711 51 HA PHE 7 HA PHE 7 -6.155 0.012 1.737 52 1HB PHE 7 2HB PHE 7 -6.291 -1.086 -0.380 53 2HB PHE 7 1HB PHE 7 -8.036 -1.266 -0.253 54 HD1 PHE 7 1HD PHE 7 -7.856 -0.256 -2.637 55 HD2 PHE 7 2HD PHE 7 -6.936 1.983 0.910 56 HE1 PHE 7 1HE PHE 7 -8.184 1.864 -3.851 57 HE2 PHE 7 2HE PHE 7 -7.309 4.071 -0.314 58 HZ PHE 7 HZ PHE 7 -7.952 4.025 -2.674 59 H GLU 8 H GLU 8 -9.655 -0.849 1.761 60 HA GLU 8 HA GLU 8 -10.705 1.754 1.779 61 1HB GLU 8 2HB GLU 8 -11.581 -0.735 3.265 62 2HB GLU 8 1HB GLU 8 -12.511 0.764 3.303 63 1HG GLU 8 2HG GLU 8 -12.726 0.734 0.867 64 2HG GLU 8 1HG GLU 8 -11.716 -0.713 0.776 65 H LYS 9 H LYS 9 -9.553 -0.158 4.544 66 HA LYS 9 HA LYS 9 -9.981 1.777 6.557 67 1HB LYS 9 2HB LYS 9 -8.707 -0.743 6.365 68 2HB LYS 9 1HB LYS 9 -7.492 0.351 7.023 69 1HG LYS 9 2HG LYS 9 -10.316 0.120 8.107 70 2HG LYS 9 1HG LYS 9 -8.934 -0.759 8.768 71 1HD LYS 9 2HD LYS 9 -7.914 1.174 9.582 72 2HD LYS 9 1HD LYS 9 -8.738 2.223 8.425 73 1HE LYS 9 2HE LYS 9 -9.639 2.487 10.728 74 2HE LYS 9 1HE LYS 9 -10.861 1.900 9.599 75 1HZ LYS 9 1HZ LYS 9 -9.999 0.700 11.958 76 2HZ LYS 9 2HZ LYS 9 -9.473 -0.290 10.682 77 3HZ LYS 9 3HZ LYS 9 -11.120 0.101 10.835 78 H PHE 10 H PHE 10 -7.287 1.429 4.271 79 HA PHE 10 HA PHE 10 -5.872 3.726 5.480 80 1HB PHE 10 2HB PHE 10 -5.124 2.216 2.992 81 2HB PHE 10 1HB PHE 10 -4.074 3.170 4.044 82 HD1 PHE 10 1HD PHE 10 -4.377 -0.037 3.200 83 HD2 PHE 10 2HD PHE 10 -4.885 2.356 6.733 84 HE1 PHE 10 1HE PHE 10 -3.917 -2.016 4.626 85 HE2 PHE 10 2HE PHE 10 -4.440 0.375 8.144 86 HZ PHE 10 HZ PHE 10 -3.957 -1.814 7.092 87 H ASP 11 H ASP 11 -8.161 3.232 2.902 88 HA ASP 11 HA ASP 11 -7.402 5.241 1.118 89 1HB ASP 11 2HB ASP 11 -9.747 5.467 0.543 90 2HB ASP 11 1HB ASP 11 -9.451 3.767 0.917 91 H LYS 12 H LYS 12 -6.246 6.621 2.545 92 HA LYS 12 HA LYS 12 -7.716 8.342 4.410 93 1HB LYS 12 2HB LYS 12 -5.621 8.357 5.262 94 2HB LYS 12 1HB LYS 12 -4.997 7.592 3.800 95 1HG LYS 12 2HG LYS 12 -4.786 9.760 2.707 96 2HG LYS 12 1HG LYS 12 -5.496 10.558 4.112 97 1HD LYS 12 2HD LYS 12 -3.591 10.359 5.361 98 2HD LYS 12 1HD LYS 12 -3.227 8.766 4.694 99 1HE LYS 12 2HE LYS 12 -1.555 10.498 4.013 100 2HE LYS 12 1HE LYS 12 -2.385 9.777 2.635 101 1HZ LYS 12 1HZ LYS 12 -2.228 12.231 2.546 102 2HZ LYS 12 2HZ LYS 12 -3.213 12.316 3.927 103 3HZ LYS 12 3HZ LYS 12 -3.822 11.653 2.487 104 H ASN 13 H ASN 13 -7.224 8.141 1.130 105 HA ASN 13 HA ASN 13 -7.779 11.054 0.725 106 1HB ASN 13 2HB ASN 13 -6.818 10.685 -1.588 107 2HB ASN 13 1HB ASN 13 -5.637 10.540 -0.281 108 1HD2 ASN 13 1HD2 ASN 13 -4.457 9.163 -1.996 109 2HD2 ASN 13 2HD2 ASN 13 -4.866 7.520 -2.095 110 H LYS 14 H LYS 14 -9.338 8.362 1.050 111 HA LYS 14 HA LYS 14 -11.081 7.172 -0.173 112 1HB LYS 14 2HB LYS 14 -12.152 9.996 -0.296 113 2HB LYS 14 1HB LYS 14 -13.042 8.496 -0.040 114 1HG LYS 14 2HG LYS 14 -11.525 8.275 2.096 115 2HG LYS 14 1HG LYS 14 -11.306 10.012 1.888 116 1HD LYS 14 2HD LYS 14 -13.190 9.991 3.247 117 2HD LYS 14 1HD LYS 14 -13.948 9.993 1.655 118 1HE LYS 14 2HE LYS 14 -14.158 7.539 1.739 119 2HE LYS 14 1HE LYS 14 -13.376 7.522 3.320 120 1HZ LYS 14 1HZ LYS 14 -15.643 9.310 3.073 121 2HZ LYS 14 2HZ LYS 14 -15.216 8.258 4.338 122 3HZ LYS 14 3HZ LYS 14 -16.016 7.658 2.964 123 H ASP 15 H ASP 15 -9.155 7.491 -1.889 124 HA ASP 15 HA ASP 15 -10.314 8.768 -4.327 125 1HB ASP 15 2HB ASP 15 -8.056 9.555 -3.461 126 2HB ASP 15 1HB ASP 15 -7.425 7.973 -3.937 127 H GLY 16 H GLY 16 -9.023 5.641 -3.074 128 1HA GLY 16 2HA GLY 16 -9.687 3.588 -4.134 129 2HA GLY 16 1HA GLY 16 -9.915 4.475 -5.652 130 H LYS 17 H LYS 17 -7.366 5.562 -3.826 131 HA LYS 17 HA LYS 17 -5.337 3.759 -4.865 132 1HB LYS 17 2HB LYS 17 -5.266 6.676 -5.581 133 2HB LYS 17 1HB LYS 17 -4.036 5.460 -5.893 134 1HG LYS 17 2HG LYS 17 -5.061 5.309 -7.936 135 2HG LYS 17 1HG LYS 17 -6.169 4.259 -7.068 136 1HD LYS 17 2HD LYS 17 -7.612 5.792 -8.119 137 2HD LYS 17 1HD LYS 17 -7.446 6.459 -6.489 138 1HE LYS 17 2HE LYS 17 -7.045 8.342 -7.821 139 2HE LYS 17 1HE LYS 17 -5.407 7.754 -7.522 140 1HZ LYS 17 1HZ LYS 17 -5.467 8.073 -9.800 141 2HZ LYS 17 2HZ LYS 17 -7.053 7.488 -9.957 142 3HZ LYS 17 3HZ LYS 17 -5.774 6.412 -9.654 143 H LEU 18 H LEU 18 -3.464 3.916 -3.805 144 HA LEU 18 HA LEU 18 -3.407 5.667 -1.403 145 1HB LEU 18 2HB LEU 18 -2.899 2.861 -1.760 146 2HB LEU 18 1HB LEU 18 -1.643 3.700 -0.935 147 HG LEU 18 HG LEU 18 -3.276 4.679 0.567 148 1HD1 LEU 18 1HD1 LEU 18 -5.206 4.387 -1.033 149 2HD1 LEU 18 2HD1 LEU 18 -5.500 4.014 0.664 150 3HD1 LEU 18 3HD1 LEU 18 -5.222 2.714 -0.481 151 1HD2 LEU 18 1HD2 LEU 18 -2.246 2.078 0.420 152 2HD2 LEU 18 2HD2 LEU 18 -3.889 1.932 1.040 153 3HD2 LEU 18 3HD2 LEU 18 -2.721 2.959 1.867 154 H SER 19 H SER 19 -1.383 6.332 -0.712 155 HA SER 19 HA SER 19 0.599 6.625 -2.913 156 1HB SER 19 2HB SER 19 0.669 8.145 -0.351 157 2HB SER 19 1HB SER 19 1.254 8.642 -1.939 158 HG SER 19 HG SER 19 -0.804 9.065 -2.560 159 H LEU 20 H LEU 20 2.810 6.145 -2.323 160 HA LEU 20 HA LEU 20 3.188 3.893 -0.721 161 1HB LEU 20 2HB LEU 20 4.868 4.909 -2.301 162 2HB LEU 20 1HB LEU 20 5.164 6.163 -1.106 163 HG LEU 20 HG LEU 20 6.724 4.127 -1.156 164 1HD1 LEU 20 1HD1 LEU 20 5.797 5.769 0.937 165 2HD1 LEU 20 2HD1 LEU 20 7.336 4.923 0.819 166 3HD1 LEU 20 3HD1 LEU 20 5.960 4.137 1.587 167 1HD2 LEU 20 1HD2 LEU 20 4.725 2.838 0.639 168 2HD2 LEU 20 2HD2 LEU 20 6.020 2.104 -0.305 169 3HD2 LEU 20 3HD2 LEU 20 4.555 2.629 -1.086 170 H ASP 21 H ASP 21 2.649 7.077 -0.004 171 HA ASP 21 HA ASP 21 3.641 7.160 2.707 172 1HB ASP 21 2HB ASP 21 3.034 9.165 1.169 173 2HB ASP 21 1HB ASP 21 1.375 8.878 1.694 174 H GLU 22 H GLU 22 0.271 6.588 1.317 175 HA GLU 22 HA GLU 22 -0.839 6.170 3.921 176 1HB GLU 22 2HB GLU 22 -1.698 5.306 1.168 177 2HB GLU 22 1HB GLU 22 -2.646 4.993 2.623 178 1HG GLU 22 2HG GLU 22 -2.688 7.426 3.082 179 2HG GLU 22 1HG GLU 22 -1.830 7.714 1.576 180 H PHE 23 H PHE 23 0.597 4.135 1.468 181 HA PHE 23 HA PHE 23 0.167 1.648 2.783 182 1HB PHE 23 2HB PHE 23 0.546 1.938 0.346 183 2HB PHE 23 1HB PHE 23 2.200 2.357 0.717 184 HD1 PHE 23 1HD PHE 23 -0.305 -0.320 1.427 185 HD2 PHE 23 2HD PHE 23 3.804 0.686 0.768 186 HE1 PHE 23 1HE PHE 23 0.295 -2.724 1.519 187 HE2 PHE 23 2HE PHE 23 4.417 -1.716 0.857 188 HZ PHE 23 HZ PHE 23 2.657 -3.425 1.233 189 H ARG 24 H ARG 24 2.527 4.255 3.108 190 HA ARG 24 HA ARG 24 4.542 2.579 4.436 191 1HB ARG 24 2HB ARG 24 4.779 4.988 3.230 192 2HB ARG 24 1HB ARG 24 4.512 5.530 4.880 193 1HG ARG 24 2HG ARG 24 6.314 3.738 5.492 194 2HG ARG 24 1HG ARG 24 6.747 3.838 3.786 195 1HD ARG 24 2HD ARG 24 8.107 5.408 5.079 196 2HD ARG 24 1HD ARG 24 7.005 6.287 4.021 197 HE ARG 24 HE ARG 24 5.602 6.091 6.394 198 1HH1 ARG 24 1HH2 ARG 24 8.738 7.155 5.433 199 2HH1 ARG 24 2HH2 ARG 24 8.860 8.352 6.679 200 1HH2 ARG 24 1HH1 ARG 24 5.744 7.650 8.027 201 2HH2 ARG 24 2HH1 ARG 24 7.166 8.631 8.147 202 H GLU 25 H GLU 25 1.794 4.495 5.238 203 HA GLU 25 HA GLU 25 2.297 4.500 8.148 204 1HB GLU 25 2HB GLU 25 -0.101 5.163 6.416 205 2HB GLU 25 1HB GLU 25 -0.269 5.009 8.164 206 1HG GLU 25 2HG GLU 25 1.763 6.824 6.840 207 2HG GLU 25 1HG GLU 25 0.167 7.368 7.360 208 H VAL 26 H VAL 26 0.589 2.789 5.703 209 HA VAL 26 HA VAL 26 -0.780 0.754 7.131 210 HB VAL 26 HB VAL 26 0.279 1.356 4.451 211 1HG1 VAL 26 1HG1 VAL 26 -0.573 -0.900 3.606 212 2HG1 VAL 26 2HG1 VAL 26 -0.358 -1.444 5.267 213 3HG1 VAL 26 3HG1 VAL 26 1.026 -0.849 4.347 214 1HG2 VAL 26 1HG2 VAL 26 -1.890 2.075 4.818 215 2HG2 VAL 26 2HG2 VAL 26 -2.339 0.541 5.549 216 3HG2 VAL 26 3HG2 VAL 26 -2.041 0.634 3.813 217 H ALA 27 H ALA 27 2.394 0.919 5.641 218 HA ALA 27 HA ALA 27 3.123 -1.766 6.366 219 1HB ALA 27 1HB ALA 27 3.959 -0.594 4.326 220 2HB ALA 27 2HB ALA 27 5.260 -1.245 5.325 221 3HB ALA 27 3HB ALA 27 4.890 0.478 5.371 222 H LEU 28 H LEU 28 3.987 1.450 7.471 223 HA LEU 28 HA LEU 28 5.848 0.554 9.504 224 1HB LEU 28 2HB LEU 28 4.451 3.161 8.943 225 2HB LEU 28 1HB LEU 28 5.368 2.941 10.429 226 HG LEU 28 HG LEU 28 7.410 2.780 9.320 227 1HD1 LEU 28 1HD1 LEU 28 7.549 2.362 6.814 228 2HD1 LEU 28 2HD1 LEU 28 5.836 1.961 6.867 229 3HD1 LEU 28 3HD1 LEU 28 6.997 0.993 7.773 230 1HD2 LEU 28 1HD2 LEU 28 6.553 5.031 9.007 231 2HD2 LEU 28 2HD2 LEU 28 5.662 4.532 7.569 232 3HD2 LEU 28 3HD2 LEU 28 7.426 4.553 7.553 233 H ALA 29 H ALA 29 2.359 1.190 9.434 234 HA ALA 29 HA ALA 29 2.067 1.078 12.316 235 1HB ALA 29 1HB ALA 29 0.531 2.345 10.866 236 2HB ALA 29 2HB ALA 29 -0.336 1.114 11.783 237 3HB ALA 29 3HB ALA 29 0.036 0.845 10.080 238 H PHE 30 H PHE 30 0.833 -1.086 9.734 239 HA PHE 30 HA PHE 30 0.095 -3.156 11.573 240 1HB PHE 30 2HB PHE 30 -0.138 -2.653 8.776 241 2HB PHE 30 1HB PHE 30 0.571 -4.258 8.959 242 HD1 PHE 30 1HD PHE 30 -0.919 -6.041 9.163 243 HD2 PHE 30 2HD PHE 30 -2.100 -2.157 10.569 244 HE1 PHE 30 1HE PHE 30 -3.146 -6.941 9.781 245 HE2 PHE 30 2HE PHE 30 -4.326 -3.059 11.187 246 HZ PHE 30 HZ PHE 30 -4.849 -5.450 10.793 247 H SER 31 H SER 31 2.876 -2.984 9.316 248 HA SER 31 HA SER 31 4.281 -4.905 11.126 249 1HB SER 31 2HB SER 31 5.321 -5.842 8.992 250 2HB SER 31 1HB SER 31 3.631 -6.248 9.270 251 HG SER 31 HG SER 31 3.351 -5.396 7.370 252 HA PRO 32 HA PRO 32 6.811 -1.111 10.523 253 1HB PRO 32 2HB PRO 32 8.223 -1.410 12.879 254 2HB PRO 32 1HB PRO 32 6.673 -0.553 12.741 255 1HG PRO 32 2HG PRO 32 7.236 -3.308 13.711 256 2HG PRO 32 1HG PRO 32 6.047 -2.122 14.287 257 1HD PRO 32 2HD PRO 32 5.378 -4.248 12.710 258 2HD PRO 32 1HD PRO 32 4.484 -2.712 12.685 259 H TYR 33 H TYR 33 7.588 -4.440 10.631 260 HA TYR 33 HA TYR 33 10.473 -4.116 10.522 261 1HB TYR 33 2HB TYR 33 9.018 -6.526 9.462 262 2HB TYR 33 1HB TYR 33 10.554 -6.445 10.331 263 HD1 TYR 33 1HD TYR 33 7.543 -7.805 10.764 264 HD2 TYR 33 2HD TYR 33 9.963 -4.804 12.660 265 HE1 TYR 33 1HE TYR 33 6.356 -8.200 12.906 266 HE2 TYR 33 2HE TYR 33 8.777 -5.198 14.800 267 HH TYR 33 HH TYR 33 6.434 -7.817 15.146 268 H PHE 34 H PHE 34 7.969 -3.533 8.294 269 HA PHE 34 HA PHE 34 9.290 -4.398 5.872 270 1HB PHE 34 2HB PHE 34 7.081 -2.434 6.475 271 2HB PHE 34 1HB PHE 34 7.881 -2.356 4.923 272 HD1 PHE 34 1HD PHE 34 7.219 -3.759 3.160 273 HD2 PHE 34 2HD PHE 34 6.212 -4.742 7.210 274 HE1 PHE 34 1HE PHE 34 5.836 -5.661 2.361 275 HE2 PHE 34 2HE PHE 34 4.831 -6.647 6.417 276 HZ PHE 34 HZ PHE 34 4.642 -7.104 3.986 277 H THR 35 H THR 35 11.058 -3.647 5.023 278 HA THR 35 HA THR 35 12.232 -1.229 6.128 279 HB THR 35 HB THR 35 13.649 -2.014 3.800 280 HG1 THR 35 1HG THR 35 13.313 -4.259 5.419 281 1HG2 THR 35 1HG2 THR 35 15.287 -2.688 5.512 282 2HG2 THR 35 2HG2 THR 35 14.023 -2.585 6.739 283 3HG2 THR 35 3HG2 THR 35 14.546 -1.132 5.885 284 H GLN 36 H GLN 36 12.390 0.697 5.165 285 HA GLN 36 HA GLN 36 10.352 1.571 3.467 286 1HB GLN 36 2HB GLN 36 11.965 2.900 4.936 287 2HB GLN 36 1HB GLN 36 13.104 2.793 3.592 288 1HG GLN 36 2HG GLN 36 11.660 4.885 3.619 289 2HG GLN 36 1HG GLN 36 11.634 3.981 2.119 290 1HE2 GLN 36 1HE2 GLN 36 9.507 4.517 1.443 291 2HE2 GLN 36 2HE2 GLN 36 8.119 4.086 2.316 292 H GLU 37 H GLU 37 13.398 0.111 2.717 293 HA GLU 37 HA GLU 37 13.393 0.874 -0.109 294 1HB GLU 37 2HB GLU 37 14.928 -1.248 1.429 295 2HB GLU 37 1HB GLU 37 15.162 -0.931 -0.291 296 1HG GLU 37 2HG GLU 37 15.693 1.439 0.239 297 2HG GLU 37 1HG GLU 37 15.537 1.068 1.958 298 H ASP 38 H ASP 38 12.293 -1.945 1.765 299 HA ASP 38 HA ASP 38 11.608 -3.498 -0.592 300 1HB ASP 38 2HB ASP 38 10.507 -3.771 2.222 301 2HB ASP 38 1HB ASP 38 10.506 -5.007 0.958 302 H ILE 39 H ILE 39 9.901 -1.260 1.540 303 HA ILE 39 HA ILE 39 7.284 -1.713 0.385 304 HB ILE 39 HB ILE 39 8.226 0.810 1.760 305 1HG1 ILE 39 2HG1 ILE 39 6.947 -1.450 3.249 306 2HG1 ILE 39 1HG1 ILE 39 8.674 -1.546 2.907 307 1HG2 ILE 39 1HG2 ILE 39 5.802 0.111 0.645 308 2HG2 ILE 39 2HG2 ILE 39 6.023 1.331 1.899 309 3HG2 ILE 39 3HG2 ILE 39 5.573 -0.317 2.339 310 1HD1 ILE 39 1HD1 ILE 39 9.117 -0.066 4.575 311 2HD1 ILE 39 2HD1 ILE 39 7.409 -0.102 5.004 312 3HD1 ILE 39 3HD1 ILE 39 8.007 1.114 3.881 313 H VAL 40 H VAL 40 9.790 0.744 -0.070 314 HA VAL 40 HA VAL 40 8.314 2.151 -2.126 315 HB VAL 40 HB VAL 40 10.387 3.399 -2.402 316 1HG1 VAL 40 1HG1 VAL 40 8.971 4.118 -0.648 317 2HG1 VAL 40 2HG1 VAL 40 10.583 4.046 0.059 318 3HG1 VAL 40 3HG1 VAL 40 9.425 2.754 0.371 319 1HG2 VAL 40 1HG2 VAL 40 11.455 1.059 -0.954 320 2HG2 VAL 40 2HG2 VAL 40 12.156 2.634 -0.574 321 3HG2 VAL 40 3HG2 VAL 40 12.193 2.026 -2.227 322 H LYS 41 H LYS 41 10.936 -0.294 -2.156 323 HA LYS 41 HA LYS 41 11.337 -0.167 -4.989 324 1HB LYS 41 2HB LYS 41 12.809 -1.475 -3.440 325 2HB LYS 41 1HB LYS 41 11.479 -2.606 -3.171 326 1HG LYS 41 2HG LYS 41 11.443 -3.153 -5.570 327 2HG LYS 41 1HG LYS 41 12.751 -2.007 -5.859 328 1HD LYS 41 2HD LYS 41 14.326 -3.314 -4.684 329 2HD LYS 41 1HD LYS 41 13.072 -4.245 -3.862 330 1HE LYS 41 2HE LYS 41 14.307 -5.392 -5.819 331 2HE LYS 41 1HE LYS 41 12.546 -5.477 -5.812 332 1HZ LYS 41 1HZ LYS 41 12.859 -4.742 -7.915 333 2HZ LYS 41 2HZ LYS 41 14.333 -3.972 -7.561 334 3HZ LYS 41 3HZ LYS 41 12.861 -3.231 -7.143 335 H PHE 42 H PHE 42 9.354 -2.368 -3.002 336 HA PHE 42 HA PHE 42 7.901 -3.495 -5.148 337 1HB PHE 42 2HB PHE 42 8.105 -4.247 -2.693 338 2HB PHE 42 1HB PHE 42 6.771 -3.134 -2.364 339 HD1 PHE 42 1HD PHE 42 7.713 -6.382 -3.596 340 HD2 PHE 42 2HD PHE 42 4.637 -3.391 -3.811 341 HE1 PHE 42 1HE PHE 42 6.127 -8.077 -4.468 342 HE2 PHE 42 2HE PHE 42 3.054 -5.089 -4.683 343 HZ PHE 42 HZ PHE 42 3.796 -7.430 -5.010 344 H PHE 43 H PHE 43 7.022 -0.707 -3.019 345 HA PHE 43 HA PHE 43 4.465 -0.235 -4.250 346 1HB PHE 43 2HB PHE 43 5.034 0.806 -2.156 347 2HB PHE 43 1HB PHE 43 6.433 1.594 -2.877 348 HD1 PHE 43 1HD PHE 43 5.988 3.277 -4.825 349 HD2 PHE 43 2HD PHE 43 2.968 1.897 -2.112 350 HE1 PHE 43 1HE PHE 43 4.607 5.254 -5.326 351 HE2 PHE 43 2HE PHE 43 1.618 3.899 -2.614 352 HZ PHE 43 HZ PHE 43 2.426 5.566 -4.240 353 H GLU 44 H GLU 44 7.624 1.197 -4.765 354 HA GLU 44 HA GLU 44 6.980 2.869 -6.994 355 1HB GLU 44 2HB GLU 44 9.561 1.367 -6.421 356 2HB GLU 44 1HB GLU 44 9.390 2.613 -7.651 357 1HG GLU 44 2HG GLU 44 8.525 3.252 -4.851 358 2HG GLU 44 1HG GLU 44 10.252 3.243 -5.224 359 H GLU 45 H GLU 45 7.711 -0.557 -6.735 360 HA GLU 45 HA GLU 45 7.676 -1.111 -9.568 361 1HB GLU 45 2HB GLU 45 8.860 -2.440 -7.737 362 2HB GLU 45 1HB GLU 45 7.251 -3.021 -7.268 363 1HG GLU 45 2HG GLU 45 7.172 -3.428 -9.939 364 2HG GLU 45 1HG GLU 45 8.888 -3.691 -9.653 365 H ILE 46 H ILE 46 5.352 -1.263 -6.893 366 HA ILE 46 HA ILE 46 3.372 -2.586 -8.609 367 HB ILE 46 HB ILE 46 3.792 -2.658 -5.908 368 1HG1 ILE 46 2HG1 ILE 46 1.474 -3.702 -5.846 369 2HG1 ILE 46 1HG1 ILE 46 1.283 -3.172 -7.519 370 1HG2 ILE 46 1HG2 ILE 46 1.302 -1.015 -6.252 371 2HG2 ILE 46 2HG2 ILE 46 2.848 -0.306 -5.789 372 3HG2 ILE 46 3HG2 ILE 46 2.080 -1.504 -4.751 373 1HD1 ILE 46 1HD1 ILE 46 3.792 -4.650 -6.950 374 2HD1 ILE 46 2HD1 ILE 46 2.694 -4.774 -8.324 375 3HD1 ILE 46 3HD1 ILE 46 2.312 -5.596 -6.813 376 H ASP 47 H ASP 47 3.915 0.675 -7.272 377 HA ASP 47 HA ASP 47 1.398 1.722 -8.250 378 1HB ASP 47 2HB ASP 47 2.713 2.991 -6.597 379 2HB ASP 47 1HB ASP 47 4.062 3.105 -7.733 380 H VAL 48 H VAL 48 1.405 0.565 -10.371 381 HA VAL 48 HA VAL 48 3.479 1.007 -12.311 382 HB VAL 48 HB VAL 48 2.038 -0.955 -12.302 383 1HG1 VAL 48 1HG1 VAL 48 0.040 0.683 -11.508 384 2HG1 VAL 48 2HG1 VAL 48 -0.260 -0.887 -12.251 385 3HG1 VAL 48 3HG1 VAL 48 -0.339 0.578 -13.225 386 1HG2 VAL 48 1HG2 VAL 48 1.591 -1.035 -14.631 387 2HG2 VAL 48 2HG2 VAL 48 2.857 0.185 -14.500 388 3HG2 VAL 48 3HG2 VAL 48 1.175 0.678 -14.691 389 H ASP 49 H ASP 49 0.555 2.698 -11.514 390 HA ASP 49 HA ASP 49 0.279 3.891 -14.139 391 1HB ASP 49 2HB ASP 49 -1.773 4.237 -13.327 392 2HB ASP 49 1HB ASP 49 -1.243 3.726 -11.726 393 H GLY 50 H GLY 50 2.257 4.481 -11.440 394 1HA GLY 50 2HA GLY 50 3.919 6.006 -11.178 395 2HA GLY 50 1HA GLY 50 3.582 6.625 -12.789 396 H ASN 51 H ASN 51 0.802 6.661 -10.789 397 HA ASN 51 HA ASN 51 0.916 9.588 -10.681 398 1HB ASN 51 2HB ASN 51 -1.238 8.330 -11.056 399 2HB ASN 51 1HB ASN 51 -1.114 7.722 -9.401 400 1HD2 ASN 51 1HD2 ASN 51 -3.189 8.949 -9.004 401 2HD2 ASN 51 2HD2 ASN 51 -3.109 10.617 -8.700 402 H GLY 52 H GLY 52 2.374 7.219 -9.020 403 1HA GLY 52 2HA GLY 52 3.629 7.352 -7.027 404 2HA GLY 52 1HA GLY 52 2.914 8.937 -6.736 405 H GLU 53 H GLU 53 0.788 6.278 -7.453 406 HA GLU 53 HA GLU 53 0.239 5.837 -4.574 407 1HB GLU 53 2HB GLU 53 -2.161 6.318 -6.251 408 2HB GLU 53 1HB GLU 53 -1.880 6.761 -4.572 409 1HG GLU 53 2HG GLU 53 -0.375 8.585 -5.323 410 2HG GLU 53 1HG GLU 53 -0.722 8.162 -7.001 411 H LEU 54 H LEU 54 -1.051 3.978 -4.107 412 HA LEU 54 HA LEU 54 -0.648 1.817 -6.020 413 1HB LEU 54 2HB LEU 54 -2.093 1.983 -3.375 414 2HB LEU 54 1HB LEU 54 -1.848 0.533 -4.253 415 HG LEU 54 HG LEU 54 -0.033 0.314 -2.964 416 1HD1 LEU 54 1HD1 LEU 54 0.866 0.862 -5.292 417 2HD1 LEU 54 2HD1 LEU 54 1.993 1.026 -3.962 418 3HD1 LEU 54 3HD1 LEU 54 1.235 2.458 -4.657 419 1HD2 LEU 54 1HD2 LEU 54 0.997 2.273 -1.861 420 2HD2 LEU 54 2HD2 LEU 54 -0.714 2.079 -1.556 421 3HD2 LEU 54 3HD2 LEU 54 -0.166 3.288 -2.711 422 H ASN 55 H ASN 55 -2.025 1.435 -7.594 423 HA ASN 55 HA ASN 55 -4.738 2.554 -7.547 424 1HB ASN 55 2HB ASN 55 -4.704 0.770 -9.672 425 2HB ASN 55 1HB ASN 55 -4.347 2.489 -9.773 426 1HD2 ASN 55 1HD2 ASN 55 -3.155 -0.179 -11.001 427 2HD2 ASN 55 2HD2 ASN 55 -1.487 0.075 -10.861 428 H ALA 56 H ALA 56 -6.513 0.911 -8.331 429 HA ALA 56 HA ALA 56 -7.045 -0.826 -6.143 430 1HB ALA 56 1HB ALA 56 -8.781 0.228 -7.473 431 2HB ALA 56 2HB ALA 56 -8.996 -1.521 -7.460 432 3HB ALA 56 3HB ALA 56 -8.310 -0.727 -8.878 433 H ASP 57 H ASP 57 -6.381 -1.900 -9.554 434 HA ASP 57 HA ASP 57 -6.167 -4.638 -8.831 435 1HB ASP 57 2HB ASP 57 -6.302 -3.641 -11.179 436 2HB ASP 57 1HB ASP 57 -4.571 -3.327 -11.041 437 H GLU 58 H GLU 58 -3.700 -2.093 -8.934 438 HA GLU 58 HA GLU 58 -1.513 -3.861 -8.278 439 1HB GLU 58 2HB GLU 58 -1.858 -0.856 -8.150 440 2HB GLU 58 1HB GLU 58 -0.376 -1.651 -7.635 441 1HG GLU 58 2HG GLU 58 -1.632 -1.912 -10.381 442 2HG GLU 58 1HG GLU 58 -0.252 -0.896 -9.987 443 H PHE 59 H PHE 59 -3.924 -2.086 -6.493 444 HA PHE 59 HA PHE 59 -2.813 -2.077 -3.891 445 1HB PHE 59 2HB PHE 59 -5.530 -2.137 -5.083 446 2HB PHE 59 1HB PHE 59 -5.432 -2.737 -3.451 447 HD1 PHE 59 1HD PHE 59 -6.143 0.038 -5.235 448 HD2 PHE 59 2HD PHE 59 -3.705 -1.187 -1.954 449 HE1 PHE 59 1HE PHE 59 -6.122 2.327 -4.442 450 HE2 PHE 59 2HE PHE 59 -3.692 1.141 -1.127 451 HZ PHE 59 HZ PHE 59 -4.904 2.898 -2.407 452 H THR 60 H THR 60 -4.646 -4.603 -5.658 453 HA THR 60 HA THR 60 -4.644 -6.510 -3.517 454 HB THR 60 HB THR 60 -5.295 -8.113 -5.214 455 HG1 THR 60 1HG THR 60 -5.032 -6.404 -7.333 456 1HG2 THR 60 1HG2 THR 60 -7.159 -6.883 -6.227 457 2HG2 THR 60 2HG2 THR 60 -6.354 -5.355 -5.874 458 3HG2 THR 60 3HG2 THR 60 -6.926 -6.376 -4.555 459 H SER 61 H SER 61 -2.488 -5.943 -6.270 460 HA SER 61 HA SER 61 -0.668 -8.078 -5.492 461 1HB SER 61 2HB SER 61 -0.913 -7.029 -7.825 462 2HB SER 61 1HB SER 61 0.023 -5.678 -7.195 463 HG SER 61 HG SER 61 1.559 -6.999 -7.928 464 H CYS 62 H CYS 62 -1.306 -4.884 -4.399 465 HA CYS 62 HA CYS 62 1.381 -4.279 -3.414 466 1HB CYS 62 2HB CYS 62 -0.492 -2.574 -3.851 467 2HB CYS 62 1HB CYS 62 -1.227 -3.164 -2.360 468 HG CYS 62 HG CYS 62 1.518 -2.552 -1.578 469 H ILE 63 H ILE 63 -1.666 -5.496 -2.066 470 HA ILE 63 HA ILE 63 -0.413 -6.082 0.495 471 HB ILE 63 HB ILE 63 -3.112 -6.587 -0.728 472 1HG1 ILE 63 2HG1 ILE 63 -3.848 -5.299 1.185 473 2HG1 ILE 63 1HG1 ILE 63 -2.262 -5.425 1.940 474 1HG2 ILE 63 1HG2 ILE 63 -1.912 -7.976 1.672 475 2HG2 ILE 63 2HG2 ILE 63 -2.763 -8.702 0.309 476 3HG2 ILE 63 3HG2 ILE 63 -3.654 -7.754 1.501 477 1HD1 ILE 63 1HD1 ILE 63 -2.809 -3.231 0.703 478 2HD1 ILE 63 2HD1 ILE 63 -2.612 -4.167 -0.777 479 3HD1 ILE 63 3HD1 ILE 63 -1.263 -3.995 0.344 480 H GLU 64 H GLU 64 -1.094 -7.890 -2.564 481 HA GLU 64 HA GLU 64 -0.616 -10.463 -1.633 482 1HB GLU 64 2HB GLU 64 -1.172 -9.683 -4.020 483 2HB GLU 64 1HB GLU 64 0.557 -9.378 -4.199 484 1HG GLU 64 2HG GLU 64 1.030 -11.729 -3.606 485 2HG GLU 64 1HG GLU 64 -0.700 -12.033 -3.443 486 H LYS 65 H LYS 65 1.561 -7.690 -1.857 487 HA LYS 65 HA LYS 65 4.080 -8.956 -1.940 488 1HB LYS 65 2HB LYS 65 3.406 -6.462 -1.593 489 2HB LYS 65 1HB LYS 65 3.377 -6.866 0.124 490 1HG LYS 65 2HG LYS 65 5.698 -7.652 -0.013 491 2HG LYS 65 1HG LYS 65 5.721 -7.264 -1.733 492 1HD LYS 65 2HD LYS 65 5.546 -4.942 -1.337 493 2HD LYS 65 1HD LYS 65 4.983 -5.185 0.310 494 1HE LYS 65 2HE LYS 65 7.315 -6.282 0.710 495 2HE LYS 65 1HE LYS 65 7.781 -5.474 -0.787 496 1HZ LYS 65 1HZ LYS 65 7.931 -4.325 1.598 497 2HZ LYS 65 2HZ LYS 65 6.362 -3.846 1.154 498 3HZ LYS 65 3HZ LYS 65 7.685 -3.455 0.163 499 H MET 66 H MET 66 1.513 -9.372 0.166 500 HA MET 66 HA MET 66 2.780 -11.426 1.729 501 1HB MET 66 2HB MET 66 2.323 -10.386 3.930 502 2HB MET 66 1HB MET 66 3.483 -9.413 3.025 503 1HG MET 66 2HG MET 66 1.572 -7.979 2.243 504 2HG MET 66 1HG MET 66 0.512 -8.887 3.322 505 1HE MET 66 1HE MET 66 0.974 -5.410 5.035 506 2HE MET 66 2HE MET 66 -0.198 -6.634 4.553 507 3HE MET 66 3HE MET 66 0.799 -5.849 3.331 508 H LEU 67 H LEU 67 0.729 -11.678 3.626 509 HA LEU 67 HA LEU 67 -1.465 -12.415 3.801 510 1HB LEU 67 2HB LEU 67 -1.615 -9.833 3.020 511 2HB LEU 67 1HB LEU 67 -2.380 -10.588 1.628 512 HG LEU 67 HG LEU 67 -4.118 -10.058 3.219 513 1HD1 LEU 67 1HD1 LEU 67 -4.026 -12.376 2.055 514 2HD1 LEU 67 2HD1 LEU 67 -5.162 -12.157 3.385 515 3HD1 LEU 67 3HD1 LEU 67 -3.641 -13.003 3.658 516 1HD2 LEU 67 1HD2 LEU 67 -3.002 -11.830 5.352 517 2HD2 LEU 67 2HD2 LEU 67 -3.981 -10.372 5.496 518 3HD2 LEU 67 3HD2 LEU 67 -2.256 -10.243 5.161 Start of MODEL 7 1 HA SER 1 HA SER 1 -8.218 -11.657 0.119 2 1HB SER 1 2HB SER 1 -7.075 -9.843 -1.288 3 2HB SER 1 1HB SER 1 -7.488 -11.336 -2.124 4 HG SER 1 HG SER 1 -8.214 -8.917 -2.770 5 H SER 2 H SER 2 -7.708 -10.331 1.825 6 HA SER 2 HA SER 2 -9.604 -8.208 2.524 7 1HB SER 2 2HB SER 2 -7.194 -8.367 4.177 8 2HB SER 2 1HB SER 2 -8.879 -8.579 4.634 9 HG SER 2 HG SER 2 -7.554 -10.491 4.846 10 H ALA 3 H ALA 3 -7.584 -7.985 0.202 11 HA ALA 3 HA ALA 3 -5.799 -5.858 1.088 12 1HB ALA 3 1HB ALA 3 -5.011 -7.224 -0.707 13 2HB ALA 3 2HB ALA 3 -5.358 -5.639 -1.395 14 3HB ALA 3 3HB ALA 3 -6.489 -6.969 -1.632 15 H LYS 4 H LYS 4 -8.961 -6.056 -0.431 16 HA LYS 4 HA LYS 4 -8.966 -3.197 -1.080 17 1HB LYS 4 2HB LYS 4 -10.320 -4.538 -2.508 18 2HB LYS 4 1HB LYS 4 -11.063 -5.377 -1.152 19 1HG LYS 4 2HG LYS 4 -12.601 -3.718 -0.811 20 2HG LYS 4 1HG LYS 4 -11.423 -2.439 -1.100 21 1HD LYS 4 2HD LYS 4 -12.429 -4.130 -3.385 22 2HD LYS 4 1HD LYS 4 -13.361 -2.747 -2.813 23 1HE LYS 4 2HE LYS 4 -10.432 -2.394 -3.384 24 2HE LYS 4 1HE LYS 4 -11.572 -2.419 -4.728 25 1HZ LYS 4 1HZ LYS 4 -12.346 -0.419 -4.188 26 2HZ LYS 4 2HZ LYS 4 -10.978 -0.261 -3.194 27 3HZ LYS 4 3HZ LYS 4 -12.453 -0.791 -2.537 28 H ARG 5 H ARG 5 -10.117 -5.348 1.458 29 HA ARG 5 HA ARG 5 -11.636 -3.421 2.945 30 1HB ARG 5 2HB ARG 5 -11.641 -5.925 3.309 31 2HB ARG 5 1HB ARG 5 -10.041 -5.756 4.037 32 1HG ARG 5 2HG ARG 5 -12.194 -3.964 5.074 33 2HG ARG 5 1HG ARG 5 -12.315 -5.666 5.500 34 1HD ARG 5 2HD ARG 5 -9.813 -5.453 6.174 35 2HD ARG 5 1HD ARG 5 -10.103 -3.717 6.162 36 HE ARG 5 HE ARG 5 -10.790 -5.462 8.278 37 1HH1 ARG 5 1HH2 ARG 5 -12.306 -3.078 6.292 38 2HH1 ARG 5 2HH2 ARG 5 -13.592 -2.786 7.411 39 1HH2 ARG 5 1HH1 ARG 5 -12.450 -5.076 9.741 40 2HH2 ARG 5 2HH1 ARG 5 -13.671 -3.910 9.361 41 H VAL 6 H VAL 6 -8.277 -4.584 3.305 42 HA VAL 6 HA VAL 6 -7.556 -2.803 5.397 43 HB VAL 6 HB VAL 6 -6.292 -4.859 4.143 44 1HG1 VAL 6 1HG1 VAL 6 -4.394 -4.108 2.894 45 2HG1 VAL 6 2HG1 VAL 6 -4.806 -2.417 3.176 46 3HG1 VAL 6 3HG1 VAL 6 -5.835 -3.419 2.150 47 1HG2 VAL 6 1HG2 VAL 6 -5.757 -3.920 6.374 48 2HG2 VAL 6 2HG2 VAL 6 -4.894 -2.594 5.597 49 3HG2 VAL 6 3HG2 VAL 6 -4.296 -4.244 5.441 50 H PHE 7 H PHE 7 -7.479 -2.476 1.901 51 HA PHE 7 HA PHE 7 -6.237 0.112 1.822 52 1HB PHE 7 2HB PHE 7 -6.389 -1.090 -0.248 53 2HB PHE 7 1HB PHE 7 -8.137 -1.260 -0.094 54 HD1 PHE 7 1HD PHE 7 -7.976 -0.333 -2.515 55 HD2 PHE 7 2HD PHE 7 -7.014 2.026 0.943 56 HE1 PHE 7 1HE PHE 7 -8.309 1.745 -3.797 57 HE2 PHE 7 2HE PHE 7 -7.390 4.072 -0.349 58 HZ PHE 7 HZ PHE 7 -8.056 3.944 -2.702 59 H GLU 8 H GLU 8 -9.721 -0.820 1.885 60 HA GLU 8 HA GLU 8 -10.818 1.766 1.859 61 1HB GLU 8 2HB GLU 8 -11.631 -0.764 3.292 62 2HB GLU 8 1HB GLU 8 -12.556 0.723 3.502 63 1HG GLU 8 2HG GLU 8 -13.005 0.863 1.133 64 2HG GLU 8 1HG GLU 8 -11.903 -0.475 0.797 65 H LYS 9 H LYS 9 -9.624 -0.093 4.638 66 HA LYS 9 HA LYS 9 -10.066 1.799 6.660 67 1HB LYS 9 2HB LYS 9 -8.673 -0.636 6.421 68 2HB LYS 9 1HB LYS 9 -7.474 0.513 7.007 69 1HG LYS 9 2HG LYS 9 -10.220 0.144 8.246 70 2HG LYS 9 1HG LYS 9 -8.752 -0.637 8.842 71 1HD LYS 9 2HD LYS 9 -7.872 1.327 9.675 72 2HD LYS 9 1HD LYS 9 -8.646 2.323 8.443 73 1HE LYS 9 2HE LYS 9 -9.535 2.452 10.892 74 2HE LYS 9 1HE LYS 9 -10.700 2.355 9.572 75 1HZ LYS 9 1HZ LYS 9 -11.061 0.094 9.966 76 2HZ LYS 9 2HZ LYS 9 -11.037 0.792 11.514 77 3HZ LYS 9 3HZ LYS 9 -9.683 -0.060 10.942 78 H PHE 10 H PHE 10 -7.297 1.626 4.380 79 HA PHE 10 HA PHE 10 -6.193 4.099 5.583 80 1HB PHE 10 2HB PHE 10 -5.151 2.277 3.452 81 2HB PHE 10 1HB PHE 10 -4.340 3.757 3.962 82 HD1 PHE 10 1HD PHE 10 -5.088 0.298 4.869 83 HD2 PHE 10 2HD PHE 10 -3.616 4.058 6.325 84 HE1 PHE 10 1HE PHE 10 -4.153 -0.841 6.864 85 HE2 PHE 10 2HE PHE 10 -2.671 2.919 8.314 86 HZ PHE 10 HZ PHE 10 -2.943 0.469 8.584 87 H ASP 11 H ASP 11 -8.267 3.328 2.906 88 HA ASP 11 HA ASP 11 -7.494 5.272 1.066 89 1HB ASP 11 2HB ASP 11 -9.850 5.450 0.423 90 2HB ASP 11 1HB ASP 11 -9.505 3.764 0.821 91 H LYS 12 H LYS 12 -6.425 6.688 2.471 92 HA LYS 12 HA LYS 12 -7.919 8.447 4.274 93 1HB LYS 12 2HB LYS 12 -5.821 8.543 5.114 94 2HB LYS 12 1HB LYS 12 -5.200 7.714 3.686 95 1HG LYS 12 2HG LYS 12 -5.032 9.841 2.487 96 2HG LYS 12 1HG LYS 12 -5.705 10.690 3.880 97 1HD LYS 12 2HD LYS 12 -3.785 10.448 5.139 98 2HD LYS 12 1HD LYS 12 -3.359 8.924 4.360 99 1HE LYS 12 2HE LYS 12 -1.769 10.644 3.672 100 2HE LYS 12 1HE LYS 12 -2.767 10.199 2.288 101 1HZ LYS 12 1HZ LYS 12 -2.741 12.668 3.848 102 2HZ LYS 12 2HZ LYS 12 -4.240 12.144 3.242 103 3HZ LYS 12 3HZ LYS 12 -2.947 12.444 2.182 104 H ASN 13 H ASN 13 -7.431 8.201 0.988 105 HA ASN 13 HA ASN 13 -8.052 11.097 0.558 106 1HB ASN 13 2HB ASN 13 -7.077 10.731 -1.752 107 2HB ASN 13 1HB ASN 13 -5.897 10.646 -0.440 108 1HD2 ASN 13 1HD2 ASN 13 -4.676 9.294 -2.158 109 2HD2 ASN 13 2HD2 ASN 13 -5.020 7.633 -2.225 110 H LYS 14 H LYS 14 -9.559 8.388 0.919 111 HA LYS 14 HA LYS 14 -11.252 7.130 -0.311 112 1HB LYS 14 2HB LYS 14 -12.336 9.963 -0.386 113 2HB LYS 14 1HB LYS 14 -13.256 8.462 -0.303 114 1HG LYS 14 2HG LYS 14 -12.226 7.984 1.912 115 2HG LYS 14 1HG LYS 14 -11.413 9.548 1.841 116 1HD LYS 14 2HD LYS 14 -13.486 10.736 1.890 117 2HD LYS 14 1HD LYS 14 -14.414 9.266 1.585 118 1HE LYS 14 2HE LYS 14 -13.658 8.359 3.769 119 2HE LYS 14 1HE LYS 14 -12.797 9.866 4.080 120 1HZ LYS 14 1HZ LYS 14 -15.383 10.541 3.333 121 2HZ LYS 14 2HZ LYS 14 -14.670 10.700 4.867 122 3HZ LYS 14 3HZ LYS 14 -15.527 9.288 4.466 123 H ASP 15 H ASP 15 -9.295 7.523 -1.986 124 HA ASP 15 HA ASP 15 -10.444 8.744 -4.453 125 1HB ASP 15 2HB ASP 15 -8.105 9.386 -3.372 126 2HB ASP 15 1HB ASP 15 -7.558 7.972 -4.280 127 H GLY 16 H GLY 16 -9.088 5.655 -3.163 128 1HA GLY 16 2HA GLY 16 -9.730 3.586 -4.206 129 2HA GLY 16 1HA GLY 16 -9.934 4.454 -5.737 130 H LYS 17 H LYS 17 -7.409 5.545 -3.848 131 HA LYS 17 HA LYS 17 -5.374 3.724 -4.846 132 1HB LYS 17 2HB LYS 17 -5.226 6.633 -5.581 133 2HB LYS 17 1HB LYS 17 -4.047 5.367 -5.893 134 1HG LYS 17 2HG LYS 17 -5.081 5.298 -7.941 135 2HG LYS 17 1HG LYS 17 -6.193 4.242 -7.085 136 1HD LYS 17 2HD LYS 17 -7.565 5.858 -8.177 137 2HD LYS 17 1HD LYS 17 -7.512 6.355 -6.483 138 1HE LYS 17 2HE LYS 17 -6.806 8.376 -7.227 139 2HE LYS 17 1HE LYS 17 -5.276 7.595 -7.625 140 1HZ LYS 17 1HZ LYS 17 -6.344 6.970 -9.791 141 2HZ LYS 17 2HZ LYS 17 -6.039 8.627 -9.582 142 3HZ LYS 17 3HZ LYS 17 -7.615 8.020 -9.394 143 H LEU 18 H LEU 18 -3.529 3.856 -3.748 144 HA LEU 18 HA LEU 18 -3.463 5.654 -1.379 145 1HB LEU 18 2HB LEU 18 -2.986 2.831 -1.675 146 2HB LEU 18 1HB LEU 18 -1.737 3.675 -0.845 147 HG LEU 18 HG LEU 18 -3.420 4.728 0.591 148 1HD1 LEU 18 1HD1 LEU 18 -5.628 3.945 0.687 149 2HD1 LEU 18 2HD1 LEU 18 -5.278 2.681 -0.486 150 3HD1 LEU 18 3HD1 LEU 18 -5.313 4.371 -0.997 151 1HD2 LEU 18 1HD2 LEU 18 -3.561 2.829 1.992 152 2HD2 LEU 18 2HD2 LEU 18 -2.089 2.629 1.047 153 3HD2 LEU 18 3HD2 LEU 18 -3.549 1.744 0.613 154 H SER 19 H SER 19 -1.424 6.306 -0.690 155 HA SER 19 HA SER 19 0.560 6.538 -2.894 156 1HB SER 19 2HB SER 19 0.680 8.084 -0.351 157 2HB SER 19 1HB SER 19 1.240 8.559 -1.954 158 HG SER 19 HG SER 19 -0.606 9.668 -1.744 159 H LEU 20 H LEU 20 2.766 6.044 -2.302 160 HA LEU 20 HA LEU 20 3.126 3.796 -0.692 161 1HB LEU 20 2HB LEU 20 4.812 4.758 -2.277 162 2HB LEU 20 1HB LEU 20 5.108 6.053 -1.128 163 HG LEU 20 HG LEU 20 6.674 4.029 -1.102 164 1HD1 LEU 20 1HD1 LEU 20 7.257 4.922 0.834 165 2HD1 LEU 20 2HD1 LEU 20 5.921 4.101 1.631 166 3HD1 LEU 20 3HD1 LEU 20 5.689 5.708 0.946 167 1HD2 LEU 20 1HD2 LEU 20 5.963 2.012 -0.238 168 2HD2 LEU 20 2HD2 LEU 20 4.485 2.532 -1.001 169 3HD2 LEU 20 3HD2 LEU 20 4.686 2.760 0.716 170 H ASP 21 H ASP 21 2.616 6.985 0.019 171 HA ASP 21 HA ASP 21 3.625 7.094 2.720 172 1HB ASP 21 2HB ASP 21 1.288 8.748 1.784 173 2HB ASP 21 1HB ASP 21 2.602 9.201 2.868 174 H GLU 22 H GLU 22 0.285 6.444 1.344 175 HA GLU 22 HA GLU 22 -0.813 5.956 3.944 176 1HB GLU 22 2HB GLU 22 -1.697 5.231 1.163 177 2HB GLU 22 1HB GLU 22 -2.602 4.763 2.600 178 1HG GLU 22 2HG GLU 22 -3.399 6.908 1.574 179 2HG GLU 22 1HG GLU 22 -2.884 7.067 3.252 180 H PHE 23 H PHE 23 0.599 3.942 1.430 181 HA PHE 23 HA PHE 23 0.157 1.456 2.731 182 1HB PHE 23 2HB PHE 23 0.592 1.692 0.311 183 2HB PHE 23 1HB PHE 23 2.228 2.161 0.694 184 HD1 PHE 23 1HD PHE 23 3.679 0.536 2.051 185 HD2 PHE 23 2HD PHE 23 -0.019 -0.581 0.185 186 HE1 PHE 23 1HE PHE 23 4.327 -1.857 2.198 187 HE2 PHE 23 2HE PHE 23 0.626 -2.968 0.333 188 HZ PHE 23 HZ PHE 23 2.798 -3.608 1.340 189 H ARG 24 H ARG 24 2.459 4.068 3.120 190 HA ARG 24 HA ARG 24 4.472 2.439 4.502 191 1HB ARG 24 2HB ARG 24 4.684 4.854 3.318 192 2HB ARG 24 1HB ARG 24 4.319 5.393 4.951 193 1HG ARG 24 2HG ARG 24 6.154 3.738 5.698 194 2HG ARG 24 1HG ARG 24 6.641 3.712 4.004 195 1HD ARG 24 2HD ARG 24 7.949 5.413 5.103 196 2HD ARG 24 1HD ARG 24 6.754 6.221 4.092 197 HE ARG 24 HE ARG 24 5.504 6.038 6.551 198 1HH1 ARG 24 1HH2 ARG 24 8.529 7.196 5.369 199 2HH1 ARG 24 2HH2 ARG 24 8.682 8.425 6.579 200 1HH2 ARG 24 1HH1 ARG 24 5.687 7.637 8.138 201 2HH2 ARG 24 2HH1 ARG 24 7.072 8.676 8.147 202 H GLU 25 H GLU 25 1.608 4.209 5.219 203 HA GLU 25 HA GLU 25 2.009 4.212 8.148 204 1HB GLU 25 2HB GLU 25 -0.399 4.736 6.366 205 2HB GLU 25 1HB GLU 25 -0.528 4.685 8.124 206 1HG GLU 25 2HG GLU 25 1.181 6.469 8.293 207 2HG GLU 25 1HG GLU 25 1.270 6.537 6.532 208 H VAL 26 H VAL 26 0.367 2.495 5.639 209 HA VAL 26 HA VAL 26 -0.956 0.383 6.961 210 HB VAL 26 HB VAL 26 0.229 1.072 4.364 211 1HG1 VAL 26 1HG1 VAL 26 -0.401 -1.187 3.403 212 2HG1 VAL 26 2HG1 VAL 26 -0.315 -1.777 5.063 213 3HG1 VAL 26 3HG1 VAL 26 1.115 -1.084 4.296 214 1HG2 VAL 26 1HG2 VAL 26 -2.124 1.486 5.072 215 2HG2 VAL 26 2HG2 VAL 26 -2.381 -0.249 4.878 216 3HG2 VAL 26 3HG2 VAL 26 -1.903 0.735 3.494 217 H ALA 27 H ALA 27 2.269 0.656 5.614 218 HA ALA 27 HA ALA 27 3.081 -1.983 6.396 219 1HB ALA 27 1HB ALA 27 5.214 -1.393 5.403 220 2HB ALA 27 2HB ALA 27 4.803 0.323 5.461 221 3HB ALA 27 3HB ALA 27 3.926 -0.758 4.378 222 H LEU 28 H LEU 28 3.916 1.273 7.456 223 HA LEU 28 HA LEU 28 5.711 0.462 9.556 224 1HB LEU 28 2HB LEU 28 4.202 2.998 8.974 225 2HB LEU 28 1HB LEU 28 5.065 2.814 10.496 226 HG LEU 28 HG LEU 28 7.157 2.766 9.476 227 1HD1 LEU 28 1HD1 LEU 28 6.920 0.974 7.906 228 2HD1 LEU 28 2HD1 LEU 28 7.415 2.377 6.968 229 3HD1 LEU 28 3HD1 LEU 28 5.730 1.866 6.962 230 1HD2 LEU 28 1HD2 LEU 28 5.365 4.456 7.715 231 2HD2 LEU 28 2HD2 LEU 28 7.126 4.532 7.668 232 3HD2 LEU 28 3HD2 LEU 28 6.263 4.974 9.141 233 H ALA 29 H ALA 29 2.200 0.890 9.409 234 HA ALA 29 HA ALA 29 1.838 0.786 12.277 235 1HB ALA 29 1HB ALA 29 -0.091 0.377 9.979 236 2HB ALA 29 2HB ALA 29 0.239 1.906 10.795 237 3HB ALA 29 3HB ALA 29 -0.552 0.593 11.667 238 H PHE 30 H PHE 30 0.865 -1.541 9.713 239 HA PHE 30 HA PHE 30 0.509 -3.623 11.754 240 1HB PHE 30 2HB PHE 30 0.062 -3.471 8.777 241 2HB PHE 30 1HB PHE 30 -0.023 -5.015 9.630 242 HD1 PHE 30 1HD PHE 30 -1.730 -1.916 8.883 243 HD2 PHE 30 2HD PHE 30 -1.617 -5.243 11.598 244 HE1 PHE 30 1HE PHE 30 -4.029 -1.377 9.639 245 HE2 PHE 30 2HE PHE 30 -3.915 -4.704 12.354 246 HZ PHE 30 HZ PHE 30 -5.122 -2.772 11.375 247 H SER 31 H SER 31 2.650 -3.179 8.920 248 HA SER 31 HA SER 31 4.343 -5.395 10.014 249 1HB SER 31 2HB SER 31 4.564 -4.360 7.203 250 2HB SER 31 1HB SER 31 4.961 -5.956 7.838 251 HG SER 31 HG SER 31 2.483 -4.841 7.157 252 HA PRO 32 HA PRO 32 6.577 -1.298 10.532 253 1HB PRO 32 2HB PRO 32 7.687 -2.042 12.974 254 2HB PRO 32 1HB PRO 32 6.184 -1.115 12.780 255 1HG PRO 32 2HG PRO 32 6.566 -4.016 13.321 256 2HG PRO 32 1HG PRO 32 5.326 -2.900 13.931 257 1HD PRO 32 2HD PRO 32 4.810 -4.688 11.958 258 2HD PRO 32 1HD PRO 32 4.016 -3.100 12.023 259 H TYR 33 H TYR 33 7.510 -4.672 10.574 260 HA TYR 33 HA TYR 33 10.359 -4.171 10.639 261 1HB TYR 33 2HB TYR 33 9.105 -6.629 9.431 262 2HB TYR 33 1HB TYR 33 10.598 -6.488 10.366 263 HD1 TYR 33 1HD TYR 33 7.511 -7.879 10.591 264 HD2 TYR 33 2HD TYR 33 9.963 -5.090 12.751 265 HE1 TYR 33 1HE TYR 33 6.261 -8.392 12.672 266 HE2 TYR 33 2HE TYR 33 8.714 -5.604 14.831 267 HH TYR 33 HH TYR 33 6.690 -6.519 15.578 268 H PHE 34 H PHE 34 7.965 -3.786 8.209 269 HA PHE 34 HA PHE 34 9.590 -4.459 5.919 270 1HB PHE 34 2HB PHE 34 6.987 -3.154 6.339 271 2HB PHE 34 1HB PHE 34 7.928 -2.346 5.109 272 HD1 PHE 34 1HD PHE 34 8.585 -3.489 3.036 273 HD2 PHE 34 2HD PHE 34 6.241 -5.451 6.044 274 HE1 PHE 34 1HE PHE 34 8.020 -5.285 1.424 275 HE2 PHE 34 2HE PHE 34 5.674 -7.251 4.437 276 HZ PHE 34 HZ PHE 34 6.564 -7.167 2.126 277 H THR 35 H THR 35 11.315 -3.505 5.224 278 HA THR 35 HA THR 35 12.134 -0.984 6.419 279 HB THR 35 HB THR 35 13.819 -1.599 4.223 280 HG1 THR 35 1HG THR 35 13.566 -3.887 5.793 281 1HG2 THR 35 1HG2 THR 35 15.363 -2.139 6.067 282 2HG2 THR 35 2HG2 THR 35 13.994 -2.170 7.179 283 3HG2 THR 35 3HG2 THR 35 14.450 -0.664 6.381 284 H GLN 36 H GLN 36 12.193 0.955 5.461 285 HA GLN 36 HA GLN 36 10.214 1.683 3.656 286 1HB GLN 36 2HB GLN 36 11.675 3.134 5.157 287 2HB GLN 36 1HB GLN 36 12.881 3.069 3.869 288 1HG GLN 36 2HG GLN 36 11.330 5.074 3.772 289 2HG GLN 36 1HG GLN 36 11.401 4.125 2.299 290 1HE2 GLN 36 1HE2 GLN 36 9.270 4.547 1.552 291 2HE2 GLN 36 2HE2 GLN 36 7.881 4.054 2.389 292 H GLU 37 H GLU 37 13.346 0.362 3.005 293 HA GLU 37 HA GLU 37 13.416 1.152 0.191 294 1HB GLU 37 2HB GLU 37 15.446 0.527 1.592 295 2HB GLU 37 1HB GLU 37 14.922 -1.153 1.470 296 1HG GLU 37 2HG GLU 37 15.044 -1.050 -0.969 297 2HG GLU 37 1HG GLU 37 15.477 0.658 -0.897 298 H ASP 38 H ASP 38 12.405 -1.799 1.944 299 HA ASP 38 HA ASP 38 11.817 -3.231 -0.518 300 1HB ASP 38 2HB ASP 38 10.242 -4.301 1.607 301 2HB ASP 38 1HB ASP 38 11.737 -4.956 0.937 302 H ILE 39 H ILE 39 10.016 -1.152 1.681 303 HA ILE 39 HA ILE 39 7.402 -1.685 0.556 304 HB ILE 39 HB ILE 39 8.298 0.882 1.893 305 1HG1 ILE 39 2HG1 ILE 39 7.196 -1.524 3.334 306 2HG1 ILE 39 1HG1 ILE 39 8.930 -1.312 3.106 307 1HG2 ILE 39 1HG2 ILE 39 5.715 -0.196 2.643 308 2HG2 ILE 39 2HG2 ILE 39 5.817 -0.020 0.892 309 3HG2 ILE 39 3HG2 ILE 39 6.096 1.371 1.938 310 1HD1 ILE 39 1HD1 ILE 39 7.262 -0.113 5.095 311 2HD1 ILE 39 2HD1 ILE 39 7.839 1.180 4.047 312 3HD1 ILE 39 3HD1 ILE 39 8.992 0.119 4.857 313 H VAL 40 H VAL 40 9.823 0.835 0.068 314 HA VAL 40 HA VAL 40 8.322 2.169 -2.022 315 HB VAL 40 HB VAL 40 10.379 3.470 -2.292 316 1HG1 VAL 40 1HG1 VAL 40 9.334 2.872 0.460 317 2HG1 VAL 40 2HG1 VAL 40 8.892 4.203 -0.607 318 3HG1 VAL 40 3HG1 VAL 40 10.477 4.180 0.161 319 1HG2 VAL 40 1HG2 VAL 40 12.190 2.107 -2.024 320 2HG2 VAL 40 2HG2 VAL 40 11.445 1.221 -0.700 321 3HG2 VAL 40 3HG2 VAL 40 12.116 2.828 -0.418 322 H LYS 41 H LYS 41 11.014 -0.196 -1.970 323 HA LYS 41 HA LYS 41 11.511 -0.128 -4.778 324 1HB LYS 41 2HB LYS 41 12.824 -1.476 -3.047 325 2HB LYS 41 1HB LYS 41 11.475 -2.621 -3.026 326 1HG LYS 41 2HG LYS 41 12.836 -3.601 -4.637 327 2HG LYS 41 1HG LYS 41 11.827 -2.579 -5.657 328 1HD LYS 41 2HD LYS 41 13.934 -1.986 -6.434 329 2HD LYS 41 1HD LYS 41 13.715 -0.778 -5.169 330 1HE LYS 41 2HE LYS 41 15.870 -1.656 -4.751 331 2HE LYS 41 1HE LYS 41 14.839 -2.503 -3.599 332 1HZ LYS 41 1HZ LYS 41 14.814 -4.413 -4.929 333 2HZ LYS 41 2HZ LYS 41 16.434 -3.902 -4.945 334 3HZ LYS 41 3HZ LYS 41 15.432 -3.598 -6.283 335 H PHE 42 H PHE 42 9.470 -2.287 -2.850 336 HA PHE 42 HA PHE 42 8.073 -3.439 -5.015 337 1HB PHE 42 2HB PHE 42 8.116 -4.475 -2.831 338 2HB PHE 42 1HB PHE 42 7.288 -3.087 -2.107 339 HD1 PHE 42 1HD PHE 42 5.002 -3.331 -1.782 340 HD2 PHE 42 2HD PHE 42 6.872 -5.370 -5.062 341 HE1 PHE 42 1HE PHE 42 2.827 -4.298 -2.422 342 HE2 PHE 42 2HE PHE 42 4.691 -6.342 -5.708 343 HZ PHE 42 HZ PHE 42 2.670 -5.809 -4.392 344 H PHE 43 H PHE 43 7.037 -0.697 -2.873 345 HA PHE 43 HA PHE 43 4.507 -0.295 -4.166 346 1HB PHE 43 2HB PHE 43 5.021 0.784 -2.078 347 2HB PHE 43 1HB PHE 43 6.417 1.594 -2.782 348 HD1 PHE 43 1HD PHE 43 2.937 1.838 -2.071 349 HD2 PHE 43 2HD PHE 43 5.963 3.230 -4.772 350 HE1 PHE 43 1HE PHE 43 1.561 3.811 -2.611 351 HE2 PHE 43 2HE PHE 43 4.551 5.169 -5.323 352 HZ PHE 43 HZ PHE 43 2.358 5.462 -4.260 353 H GLU 44 H GLU 44 7.661 1.178 -4.654 354 HA GLU 44 HA GLU 44 7.020 2.780 -6.940 355 1HB GLU 44 2HB GLU 44 9.612 1.324 -6.300 356 2HB GLU 44 1HB GLU 44 9.440 2.540 -7.559 357 1HG GLU 44 2HG GLU 44 8.538 3.234 -4.784 358 2HG GLU 44 1HG GLU 44 10.269 3.233 -5.135 359 H GLU 45 H GLU 45 7.714 -0.625 -6.527 360 HA GLU 45 HA GLU 45 7.767 -1.306 -9.348 361 1HB GLU 45 2HB GLU 45 8.664 -2.549 -7.143 362 2HB GLU 45 1HB GLU 45 7.081 -3.326 -7.259 363 1HG GLU 45 2HG GLU 45 9.160 -3.172 -9.457 364 2HG GLU 45 1HG GLU 45 8.797 -4.605 -8.494 365 H ILE 46 H ILE 46 5.318 -1.347 -6.774 366 HA ILE 46 HA ILE 46 3.404 -2.663 -8.583 367 HB ILE 46 HB ILE 46 3.731 -2.774 -5.867 368 1HG1 ILE 46 2HG1 ILE 46 1.433 -3.847 -5.902 369 2HG1 ILE 46 1HG1 ILE 46 1.276 -3.281 -7.563 370 1HG2 ILE 46 1HG2 ILE 46 1.944 -1.663 -4.771 371 2HG2 ILE 46 2HG2 ILE 46 1.256 -1.126 -6.304 372 3HG2 ILE 46 3HG2 ILE 46 2.778 -0.441 -5.731 373 1HD1 ILE 46 1HD1 ILE 46 2.600 -4.933 -8.355 374 2HD1 ILE 46 2HD1 ILE 46 2.410 -5.694 -6.776 375 3HD1 ILE 46 3HD1 ILE 46 3.813 -4.677 -7.100 376 H ASP 47 H ASP 47 3.981 0.583 -7.256 377 HA ASP 47 HA ASP 47 1.473 1.670 -8.230 378 1HB ASP 47 2HB ASP 47 2.704 2.987 -6.610 379 2HB ASP 47 1HB ASP 47 4.165 2.938 -7.601 380 H VAL 48 H VAL 48 1.497 0.472 -10.341 381 HA VAL 48 HA VAL 48 3.589 0.920 -12.268 382 HB VAL 48 HB VAL 48 2.178 -1.074 -12.216 383 1HG1 VAL 48 1HG1 VAL 48 0.137 0.511 -11.506 384 2HG1 VAL 48 2HG1 VAL 48 -0.132 -1.040 -12.303 385 3HG1 VAL 48 3HG1 VAL 48 -0.176 0.454 -13.238 386 1HG2 VAL 48 1HG2 VAL 48 1.381 0.479 -14.679 387 2HG2 VAL 48 2HG2 VAL 48 1.792 -1.231 -14.555 388 3HG2 VAL 48 3HG2 VAL 48 3.055 -0.006 -14.419 389 H ASP 49 H ASP 49 0.598 2.544 -11.557 390 HA ASP 49 HA ASP 49 0.345 3.677 -14.211 391 1HB ASP 49 2HB ASP 49 -1.736 3.883 -13.416 392 2HB ASP 49 1HB ASP 49 -1.187 3.568 -11.773 393 H GLY 50 H GLY 50 2.257 4.356 -11.497 394 1HA GLY 50 2HA GLY 50 3.899 5.911 -11.257 395 2HA GLY 50 1HA GLY 50 3.530 6.531 -12.862 396 H ASN 51 H ASN 51 0.771 6.469 -10.845 397 HA ASN 51 HA ASN 51 0.779 9.393 -10.720 398 1HB ASN 51 2HB ASN 51 -1.344 8.161 -11.070 399 2HB ASN 51 1HB ASN 51 -1.138 7.373 -9.499 400 1HD2 ASN 51 1HD2 ASN 51 -3.176 8.432 -8.775 401 2HD2 ASN 51 2HD2 ASN 51 -3.171 10.071 -8.340 402 H GLY 52 H GLY 52 2.298 7.023 -9.065 403 1HA GLY 52 2HA GLY 52 3.578 7.171 -7.093 404 2HA GLY 52 1HA GLY 52 2.892 8.772 -6.820 405 H GLU 53 H GLU 53 0.741 6.110 -7.453 406 HA GLU 53 HA GLU 53 0.215 5.734 -4.561 407 1HB GLU 53 2HB GLU 53 -2.195 6.207 -6.226 408 2HB GLU 53 1HB GLU 53 -1.899 6.672 -4.555 409 1HG GLU 53 2HG GLU 53 -0.386 8.474 -5.339 410 2HG GLU 53 1HG GLU 53 -0.744 8.029 -7.010 411 H LEU 54 H LEU 54 -1.108 3.898 -4.056 412 HA LEU 54 HA LEU 54 -0.718 1.700 -5.931 413 1HB LEU 54 2HB LEU 54 -2.160 1.948 -3.292 414 2HB LEU 54 1HB LEU 54 -1.959 0.474 -4.137 415 HG LEU 54 HG LEU 54 -0.139 0.241 -2.852 416 1HD1 LEU 54 1HD1 LEU 54 1.910 0.915 -3.865 417 2HD1 LEU 54 2HD1 LEU 54 1.151 2.306 -4.635 418 3HD1 LEU 54 3HD1 LEU 54 0.778 0.680 -5.185 419 1HD2 LEU 54 1HD2 LEU 54 -0.760 2.059 -1.487 420 2HD2 LEU 54 2HD2 LEU 54 -0.194 3.220 -2.681 421 3HD2 LEU 54 3HD2 LEU 54 0.955 2.196 -1.818 422 H ASN 55 H ASN 55 -2.080 1.348 -7.525 423 HA ASN 55 HA ASN 55 -4.777 2.499 -7.520 424 1HB ASN 55 2HB ASN 55 -4.699 0.692 -9.638 425 2HB ASN 55 1HB ASN 55 -4.377 2.418 -9.739 426 1HD2 ASN 55 1HD2 ASN 55 -3.097 -0.285 -10.874 427 2HD2 ASN 55 2HD2 ASN 55 -1.440 0.034 -10.732 428 H ALA 56 H ALA 56 -6.548 0.844 -8.384 429 HA ALA 56 HA ALA 56 -7.132 -0.885 -6.186 430 1HB ALA 56 1HB ALA 56 -8.846 0.207 -7.533 431 2HB ALA 56 2HB ALA 56 -9.088 -1.538 -7.504 432 3HB ALA 56 3HB ALA 56 -8.385 -0.769 -8.926 433 H ASP 57 H ASP 57 -6.488 -1.949 -9.612 434 HA ASP 57 HA ASP 57 -6.300 -4.684 -8.908 435 1HB ASP 57 2HB ASP 57 -6.463 -3.924 -11.238 436 2HB ASP 57 1HB ASP 57 -4.863 -3.193 -11.124 437 H GLU 58 H GLU 58 -3.767 -2.196 -9.056 438 HA GLU 58 HA GLU 58 -1.632 -3.995 -8.339 439 1HB GLU 58 2HB GLU 58 -1.910 -0.983 -8.255 440 2HB GLU 58 1HB GLU 58 -0.460 -1.795 -7.683 441 1HG GLU 58 2HG GLU 58 -1.633 -2.049 -10.468 442 2HG GLU 58 1HG GLU 58 -0.232 -1.078 -10.028 443 H PHE 59 H PHE 59 -4.009 -2.140 -6.597 444 HA PHE 59 HA PHE 59 -2.921 -2.077 -3.997 445 1HB PHE 59 2HB PHE 59 -5.605 -2.084 -5.219 446 2HB PHE 59 1HB PHE 59 -5.578 -2.720 -3.600 447 HD1 PHE 59 1HD PHE 59 -3.690 -1.200 -2.130 448 HD2 PHE 59 2HD PHE 59 -6.342 0.074 -5.227 449 HE1 PHE 59 1HE PHE 59 -3.652 1.101 -1.258 450 HE2 PHE 59 2HE PHE 59 -6.289 2.342 -4.378 451 HZ PHE 59 HZ PHE 59 -4.953 2.875 -2.407 452 H THR 60 H THR 60 -4.812 -4.650 -5.633 453 HA THR 60 HA THR 60 -4.759 -6.442 -3.374 454 HB THR 60 HB THR 60 -5.473 -8.146 -4.999 455 HG1 THR 60 1HG THR 60 -4.910 -6.104 -6.886 456 1HG2 THR 60 1HG2 THR 60 -6.708 -5.416 -5.437 457 2HG2 THR 60 2HG2 THR 60 -7.114 -6.539 -4.138 458 3HG2 THR 60 3HG2 THR 60 -7.483 -6.957 -5.812 459 H SER 61 H SER 61 -2.811 -6.189 -6.337 460 HA SER 61 HA SER 61 -0.994 -8.299 -5.559 461 1HB SER 61 2HB SER 61 -1.342 -7.198 -7.904 462 2HB SER 61 1HB SER 61 -0.220 -5.969 -7.319 463 HG SER 61 HG SER 61 1.334 -7.339 -7.628 464 H CYS 62 H CYS 62 -1.491 -5.043 -4.555 465 HA CYS 62 HA CYS 62 1.220 -4.433 -3.733 466 1HB CYS 62 2HB CYS 62 -0.729 -2.764 -3.971 467 2HB CYS 62 1HB CYS 62 -1.278 -3.374 -2.410 468 HG CYS 62 HG CYS 62 1.587 -2.165 -2.733 469 H ILE 63 H ILE 63 -1.611 -5.940 -2.313 470 HA ILE 63 HA ILE 63 -0.212 -6.421 0.211 471 HB ILE 63 HB ILE 63 -2.792 -7.688 -0.730 472 1HG1 ILE 63 2HG1 ILE 63 -3.166 -5.348 -0.979 473 2HG1 ILE 63 1HG1 ILE 63 -3.807 -5.742 0.610 474 1HG2 ILE 63 1HG2 ILE 63 -1.447 -8.427 1.390 475 2HG2 ILE 63 2HG2 ILE 63 -3.179 -8.139 1.544 476 3HG2 ILE 63 3HG2 ILE 63 -2.031 -6.914 2.081 477 1HD1 ILE 63 1HD1 ILE 63 -1.206 -4.377 -0.064 478 2HD1 ILE 63 2HD1 ILE 63 -1.481 -5.117 1.515 479 3HD1 ILE 63 3HD1 ILE 63 -2.511 -3.795 0.968 480 H GLU 64 H GLU 64 -0.854 -8.229 -2.853 481 HA GLU 64 HA GLU 64 -0.221 -10.779 -1.933 482 1HB GLU 64 2HB GLU 64 -0.928 -10.198 -4.262 483 2HB GLU 64 1HB GLU 64 0.670 -9.504 -4.537 484 1HG GLU 64 2HG GLU 64 1.725 -11.663 -4.108 485 2HG GLU 64 1HG GLU 64 0.160 -12.377 -3.716 486 H LYS 65 H LYS 65 1.804 -7.904 -2.205 487 HA LYS 65 HA LYS 65 4.348 -9.230 -2.333 488 1HB LYS 65 2HB LYS 65 4.590 -6.920 -2.452 489 2HB LYS 65 1HB LYS 65 3.349 -6.619 -1.245 490 1HG LYS 65 2HG LYS 65 5.527 -6.008 -0.339 491 2HG LYS 65 1HG LYS 65 4.924 -7.422 0.516 492 1HD LYS 65 2HD LYS 65 7.121 -8.073 0.067 493 2HD LYS 65 1HD LYS 65 6.284 -8.745 -1.327 494 1HE LYS 65 2HE LYS 65 6.838 -6.626 -2.584 495 2HE LYS 65 1HE LYS 65 7.846 -6.136 -1.219 496 1HZ LYS 65 1HZ LYS 65 8.190 -8.763 -2.529 497 2HZ LYS 65 2HZ LYS 65 9.290 -7.905 -1.559 498 3HZ LYS 65 3HZ LYS 65 8.949 -7.373 -3.135 499 H MET 66 H MET 66 1.840 -9.543 -0.235 500 HA MET 66 HA MET 66 3.203 -11.314 1.567 501 1HB MET 66 2HB MET 66 2.560 -10.092 3.633 502 2HB MET 66 1HB MET 66 3.697 -9.139 2.679 503 1HG MET 66 2HG MET 66 1.751 -7.926 1.669 504 2HG MET 66 1HG MET 66 0.685 -8.804 2.765 505 1HE MET 66 1HE MET 66 0.149 -8.035 5.166 506 2HE MET 66 2HE MET 66 -0.357 -6.988 3.844 507 3HE MET 66 3HE MET 66 0.299 -6.279 5.319 508 H LEU 67 H LEU 67 1.138 -11.713 3.349 509 HA LEU 67 HA LEU 67 -0.961 -12.716 3.431 510 1HB LEU 67 2HB LEU 67 -1.360 -10.111 3.040 511 2HB LEU 67 1HB LEU 67 -1.975 -10.667 1.487 512 HG LEU 67 HG LEU 67 -3.835 -10.554 3.039 513 1HD1 LEU 67 1HD1 LEU 67 -3.077 -13.477 2.875 514 2HD1 LEU 67 2HD1 LEU 67 -3.559 -12.552 1.454 515 3HD1 LEU 67 3HD1 LEU 67 -4.685 -12.761 2.793 516 1HD2 LEU 67 1HD2 LEU 67 -3.783 -11.271 5.221 517 2HD2 LEU 67 2HD2 LEU 67 -2.051 -11.016 5.025 518 3HD2 LEU 67 3HD2 LEU 67 -2.727 -12.637 4.865 Start of MODEL 8 1 HA SER 1 HA SER 1 -6.216 -11.360 -0.098 2 1HB SER 1 2HB SER 1 -8.689 -10.097 -1.293 3 2HB SER 1 1HB SER 1 -7.021 -9.951 -1.842 4 HG SER 1 HG SER 1 -8.700 -11.583 -2.799 5 H SER 2 H SER 2 -9.387 -9.978 0.849 6 HA SER 2 HA SER 2 -9.862 -8.117 2.210 7 1HB SER 2 2HB SER 2 -7.690 -8.288 4.061 8 2HB SER 2 1HB SER 2 -9.349 -8.839 4.280 9 HG SER 2 HG SER 2 -8.241 -10.678 4.421 10 H ALA 3 H ALA 3 -7.584 -7.969 0.050 11 HA ALA 3 HA ALA 3 -5.833 -5.905 1.095 12 1HB ALA 3 1HB ALA 3 -6.409 -6.815 -1.734 13 2HB ALA 3 2HB ALA 3 -5.049 -7.303 -0.725 14 3HB ALA 3 3HB ALA 3 -5.168 -5.640 -1.302 15 H LYS 4 H LYS 4 -8.910 -5.975 -0.578 16 HA LYS 4 HA LYS 4 -8.838 -3.100 -1.152 17 1HB LYS 4 2HB LYS 4 -10.176 -4.250 -2.695 18 2HB LYS 4 1HB LYS 4 -10.873 -5.298 -1.467 19 1HG LYS 4 2HG LYS 4 -12.386 -3.676 -0.746 20 2HG LYS 4 1HG LYS 4 -11.378 -2.341 -1.300 21 1HD LYS 4 2HD LYS 4 -12.511 -4.249 -3.328 22 2HD LYS 4 1HD LYS 4 -13.556 -3.004 -2.647 23 1HE LYS 4 2HE LYS 4 -11.850 -1.286 -3.293 24 2HE LYS 4 1HE LYS 4 -10.925 -2.557 -4.092 25 1HZ LYS 4 1HZ LYS 4 -12.205 -2.294 -5.859 26 2HZ LYS 4 2HZ LYS 4 -13.146 -1.130 -5.059 27 3HZ LYS 4 3HZ LYS 4 -13.559 -2.774 -4.958 28 H ARG 5 H ARG 5 -10.166 -5.304 1.256 29 HA ARG 5 HA ARG 5 -11.719 -3.401 2.736 30 1HB ARG 5 2HB ARG 5 -11.627 -5.987 2.949 31 2HB ARG 5 1HB ARG 5 -10.208 -5.708 3.967 32 1HG ARG 5 2HG ARG 5 -11.555 -4.250 5.437 33 2HG ARG 5 1HG ARG 5 -12.972 -4.538 4.427 34 1HD ARG 5 2HD ARG 5 -12.117 -7.105 4.966 35 2HD ARG 5 1HD ARG 5 -11.744 -6.274 6.473 36 HE ARG 5 HE ARG 5 -14.304 -7.131 5.785 37 1HH1 ARG 5 1HH2 ARG 5 -12.783 -4.108 6.481 38 2HH1 ARG 5 2HH2 ARG 5 -14.249 -3.347 6.995 39 1HH2 ARG 5 1HH1 ARG 5 -16.211 -6.150 6.460 40 2HH2 ARG 5 2HH1 ARG 5 -16.185 -4.501 6.987 41 H VAL 6 H VAL 6 -8.410 -4.640 3.224 42 HA VAL 6 HA VAL 6 -7.746 -2.937 5.398 43 HB VAL 6 HB VAL 6 -6.498 -4.985 4.079 44 1HG1 VAL 6 1HG1 VAL 6 -5.675 -3.830 2.207 45 2HG1 VAL 6 2HG1 VAL 6 -4.294 -3.946 3.294 46 3HG1 VAL 6 3HG1 VAL 6 -5.184 -2.434 3.160 47 1HG2 VAL 6 1HG2 VAL 6 -5.560 -2.955 6.076 48 2HG2 VAL 6 2HG2 VAL 6 -4.402 -4.134 5.461 49 3HG2 VAL 6 3HG2 VAL 6 -5.861 -4.678 6.285 50 H PHE 7 H PHE 7 -7.606 -2.518 1.934 51 HA PHE 7 HA PHE 7 -6.245 0.013 1.895 52 1HB PHE 7 2HB PHE 7 -6.498 -1.136 -0.197 53 2HB PHE 7 1HB PHE 7 -8.245 -1.221 -0.010 54 HD1 PHE 7 1HD PHE 7 -7.062 2.006 1.067 55 HD2 PHE 7 2HD PHE 7 -7.976 -0.286 -2.448 56 HE1 PHE 7 1HE PHE 7 -7.391 4.076 -0.201 57 HE2 PHE 7 2HE PHE 7 -8.251 1.814 -3.705 58 HZ PHE 7 HZ PHE 7 -8.000 3.992 -2.567 59 H GLU 8 H GLU 8 -9.755 -0.778 2.071 60 HA GLU 8 HA GLU 8 -10.752 1.850 2.130 61 1HB GLU 8 2HB GLU 8 -11.634 -0.596 3.687 62 2HB GLU 8 1HB GLU 8 -12.539 0.915 3.674 63 1HG GLU 8 2HG GLU 8 -12.869 0.784 1.288 64 2HG GLU 8 1HG GLU 8 -11.772 -0.595 1.163 65 H LYS 9 H LYS 9 -9.519 -0.096 4.852 66 HA LYS 9 HA LYS 9 -9.840 1.817 6.878 67 1HB LYS 9 2HB LYS 9 -9.196 -0.425 7.460 68 2HB LYS 9 1HB LYS 9 -7.744 -0.329 6.470 69 1HG LYS 9 2HG LYS 9 -7.264 -0.070 8.898 70 2HG LYS 9 1HG LYS 9 -6.783 1.345 7.960 71 1HD LYS 9 2HD LYS 9 -7.974 1.969 10.031 72 2HD LYS 9 1HD LYS 9 -8.850 2.503 8.609 73 1HE LYS 9 2HE LYS 9 -10.519 0.888 8.874 74 2HE LYS 9 1HE LYS 9 -9.470 -0.187 9.798 75 1HZ LYS 9 1HZ LYS 9 -11.279 1.179 11.008 76 2HZ LYS 9 2HZ LYS 9 -10.170 2.458 10.878 77 3HZ LYS 9 3HZ LYS 9 -9.739 1.039 11.706 78 H PHE 10 H PHE 10 -7.252 1.461 4.474 79 HA PHE 10 HA PHE 10 -5.800 3.780 5.600 80 1HB PHE 10 2HB PHE 10 -5.116 2.234 3.121 81 2HB PHE 10 1HB PHE 10 -4.042 3.195 4.143 82 HD1 PHE 10 1HD PHE 10 -4.427 -0.030 3.322 83 HD2 PHE 10 2HD PHE 10 -4.728 2.407 6.850 84 HE1 PHE 10 1HE PHE 10 -3.936 -2.003 4.745 85 HE2 PHE 10 2HE PHE 10 -4.253 0.430 8.260 86 HZ PHE 10 HZ PHE 10 -3.859 -1.777 7.207 87 H ASP 11 H ASP 11 -8.138 3.192 3.056 88 HA ASP 11 HA ASP 11 -7.413 5.208 1.259 89 1HB ASP 11 2HB ASP 11 -9.770 5.376 0.672 90 2HB ASP 11 1HB ASP 11 -9.414 3.684 1.022 91 H LYS 12 H LYS 12 -6.324 6.622 2.648 92 HA LYS 12 HA LYS 12 -7.804 8.302 4.532 93 1HB LYS 12 2HB LYS 12 -5.690 8.371 5.329 94 2HB LYS 12 1HB LYS 12 -5.084 7.628 3.849 95 1HG LYS 12 2HG LYS 12 -4.977 9.811 2.757 96 2HG LYS 12 1HG LYS 12 -5.647 10.579 4.199 97 1HD LYS 12 2HD LYS 12 -3.711 10.284 5.432 98 2HD LYS 12 1HD LYS 12 -3.250 8.838 4.529 99 1HE LYS 12 2HE LYS 12 -1.739 10.702 3.981 100 2HE LYS 12 1HE LYS 12 -2.698 10.261 2.569 101 1HZ LYS 12 1HZ LYS 12 -3.201 12.525 4.424 102 2HZ LYS 12 2HZ LYS 12 -4.256 12.054 3.178 103 3HZ LYS 12 3HZ LYS 12 -2.701 12.627 2.806 104 H ASN 13 H ASN 13 -7.387 8.123 1.230 105 HA ASN 13 HA ASN 13 -8.052 11.019 0.861 106 1HB ASN 13 2HB ASN 13 -7.140 10.613 -1.512 107 2HB ASN 13 1HB ASN 13 -5.948 10.709 -0.213 108 1HD2 ASN 13 1HD2 ASN 13 -8.029 7.871 -0.571 109 2HD2 ASN 13 2HD2 ASN 13 -6.803 6.813 -1.078 110 H LYS 14 H LYS 14 -9.516 8.271 1.181 111 HA LYS 14 HA LYS 14 -11.218 7.028 -0.044 112 1HB LYS 14 2HB LYS 14 -12.439 9.783 -0.191 113 2HB LYS 14 1HB LYS 14 -13.224 8.245 0.154 114 1HG LYS 14 2HG LYS 14 -13.076 8.897 2.335 115 2HG LYS 14 1HG LYS 14 -11.403 8.363 2.201 116 1HD LYS 14 2HD LYS 14 -11.106 10.523 3.015 117 2HD LYS 14 1HD LYS 14 -11.012 10.813 1.278 118 1HE LYS 14 2HE LYS 14 -13.257 11.415 3.181 119 2HE LYS 14 1HE LYS 14 -12.551 12.441 1.934 120 1HZ LYS 14 1HZ LYS 14 -13.697 11.362 0.272 121 2HZ LYS 14 2HZ LYS 14 -14.839 11.364 1.528 122 3HZ LYS 14 3HZ LYS 14 -13.947 9.958 1.189 123 H ASP 15 H ASP 15 -9.328 7.400 -1.763 124 HA ASP 15 HA ASP 15 -10.539 8.651 -4.194 125 1HB ASP 15 2HB ASP 15 -7.799 8.572 -3.115 126 2HB ASP 15 1HB ASP 15 -7.893 8.226 -4.844 127 H GLY 16 H GLY 16 -9.138 5.563 -2.957 128 1HA GLY 16 2HA GLY 16 -9.758 3.501 -4.025 129 2HA GLY 16 1HA GLY 16 -10.002 4.384 -5.542 130 H LYS 17 H LYS 17 -7.475 5.521 -3.706 131 HA LYS 17 HA LYS 17 -5.411 3.754 -4.734 132 1HB LYS 17 2HB LYS 17 -5.356 6.665 -5.467 133 2HB LYS 17 1HB LYS 17 -4.143 5.437 -5.798 134 1HG LYS 17 2HG LYS 17 -5.216 5.361 -7.832 135 2HG LYS 17 1HG LYS 17 -6.248 4.235 -6.962 136 1HD LYS 17 2HD LYS 17 -7.779 5.741 -7.939 137 2HD LYS 17 1HD LYS 17 -7.614 6.341 -6.285 138 1HE LYS 17 2HE LYS 17 -7.267 8.321 -7.429 139 2HE LYS 17 1HE LYS 17 -5.607 7.724 -7.394 140 1HZ LYS 17 1HZ LYS 17 -5.631 7.705 -9.592 141 2HZ LYS 17 2HZ LYS 17 -7.254 8.207 -9.622 142 3HZ LYS 17 3HZ LYS 17 -6.873 6.552 -9.578 143 H LEU 18 H LEU 18 -3.559 3.938 -3.676 144 HA LEU 18 HA LEU 18 -3.501 5.693 -1.274 145 1HB LEU 18 2HB LEU 18 -2.975 2.901 -1.663 146 2HB LEU 18 1HB LEU 18 -1.723 3.737 -0.827 147 HG LEU 18 HG LEU 18 -3.398 4.704 0.677 148 1HD1 LEU 18 1HD1 LEU 18 -5.306 4.357 -0.918 149 2HD1 LEU 18 2HD1 LEU 18 -5.594 3.915 0.766 150 3HD1 LEU 18 3HD1 LEU 18 -5.254 2.664 -0.422 151 1HD2 LEU 18 1HD2 LEU 18 -3.197 2.898 2.057 152 2HD2 LEU 18 2HD2 LEU 18 -2.078 2.399 0.796 153 3HD2 LEU 18 3HD2 LEU 18 -3.726 1.775 0.819 154 H SER 19 H SER 19 -1.465 6.388 -0.604 155 HA SER 19 HA SER 19 0.465 6.740 -2.839 156 1HB SER 19 2HB SER 19 0.385 8.260 -0.254 157 2HB SER 19 1HB SER 19 1.179 8.731 -1.757 158 HG SER 19 HG SER 19 -1.522 8.251 -1.976 159 H LEU 20 H LEU 20 2.723 6.440 -2.265 160 HA LEU 20 HA LEU 20 3.292 4.165 -0.750 161 1HB LEU 20 2HB LEU 20 4.804 5.479 -2.356 162 2HB LEU 20 1HB LEU 20 5.113 6.570 -1.013 163 HG LEU 20 HG LEU 20 6.651 4.472 -1.548 164 1HD1 LEU 20 1HD1 LEU 20 7.212 4.478 0.927 165 2HD1 LEU 20 2HD1 LEU 20 5.886 5.627 1.099 166 3HD1 LEU 20 3HD1 LEU 20 7.272 6.025 0.087 167 1HD2 LEU 20 1HD2 LEU 20 4.953 3.330 0.640 168 2HD2 LEU 20 2HD2 LEU 20 6.135 2.518 -0.382 169 3HD2 LEU 20 3HD2 LEU 20 4.587 2.981 -1.032 170 H ASP 21 H ASP 21 2.583 7.300 0.059 171 HA ASP 21 HA ASP 21 3.586 7.406 2.758 172 1HB ASP 21 2HB ASP 21 2.748 9.370 1.288 173 2HB ASP 21 1HB ASP 21 1.134 8.890 1.808 174 H GLU 22 H GLU 22 0.308 6.507 1.386 175 HA GLU 22 HA GLU 22 -0.710 5.897 4.001 176 1HB GLU 22 2HB GLU 22 -1.653 5.319 1.214 177 2HB GLU 22 1HB GLU 22 -2.502 4.730 2.642 178 1HG GLU 22 2HG GLU 22 -3.345 6.939 1.739 179 2HG GLU 22 1HG GLU 22 -2.889 6.939 3.440 180 H PHE 23 H PHE 23 0.629 3.956 1.367 181 HA PHE 23 HA PHE 23 0.233 1.421 2.630 182 1HB PHE 23 2HB PHE 23 0.546 1.571 0.238 183 2HB PHE 23 1HB PHE 23 2.108 2.306 0.496 184 HD1 PHE 23 1HD PHE 23 0.371 -0.707 1.872 185 HD2 PHE 23 2HD PHE 23 3.869 0.895 -0.018 186 HE1 PHE 23 1HE PHE 23 1.433 -2.943 1.955 187 HE2 PHE 23 2HE PHE 23 4.937 -1.342 0.063 188 HZ PHE 23 HZ PHE 23 3.718 -3.263 1.049 189 H ARG 24 H ARG 24 2.618 3.993 2.864 190 HA ARG 24 HA ARG 24 4.640 2.318 4.168 191 1HB ARG 24 2HB ARG 24 5.408 4.236 2.903 192 2HB ARG 24 1HB ARG 24 4.375 5.315 3.845 193 1HG ARG 24 2HG ARG 24 5.805 5.340 5.610 194 2HG ARG 24 1HG ARG 24 6.140 3.624 5.486 195 1HD ARG 24 2HD ARG 24 8.113 4.075 4.546 196 2HD ARG 24 1HD ARG 24 7.316 4.893 3.209 197 HE ARG 24 HE ARG 24 8.882 6.185 5.157 198 1HH1 ARG 24 1HH2 ARG 24 5.663 6.381 3.933 199 2HH1 ARG 24 2HH2 ARG 24 5.455 8.038 4.388 200 1HH2 ARG 24 1HH1 ARG 24 8.627 8.340 5.748 201 2HH2 ARG 24 2HH1 ARG 24 7.131 9.148 5.414 202 H GLU 25 H GLU 25 1.988 4.362 4.978 203 HA GLU 25 HA GLU 25 2.547 4.440 7.872 204 1HB GLU 25 2HB GLU 25 0.990 6.065 6.526 205 2HB GLU 25 1HB GLU 25 -0.200 4.766 6.627 206 1HG GLU 25 2HG GLU 25 -0.067 4.779 9.063 207 2HG GLU 25 1HG GLU 25 1.209 5.996 9.011 208 H VAL 26 H VAL 26 0.822 2.656 5.499 209 HA VAL 26 HA VAL 26 -0.555 0.700 7.077 210 HB VAL 26 HB VAL 26 0.333 1.206 4.307 211 1HG1 VAL 26 1HG1 VAL 26 -0.754 -1.074 3.678 212 2HG1 VAL 26 2HG1 VAL 26 -0.241 -1.532 5.298 213 3HG1 VAL 26 3HG1 VAL 26 0.954 -0.996 4.115 214 1HG2 VAL 26 1HG2 VAL 26 -2.245 0.511 5.579 215 2HG2 VAL 26 2HG2 VAL 26 -2.039 0.599 3.829 216 3HG2 VAL 26 3HG2 VAL 26 -1.778 2.028 4.828 217 H ALA 27 H ALA 27 2.551 0.900 5.469 218 HA ALA 27 HA ALA 27 3.323 -1.796 6.101 219 1HB ALA 27 1HB ALA 27 5.124 0.444 5.182 220 2HB ALA 27 2HB ALA 27 4.116 -0.495 4.084 221 3HB ALA 27 3HB ALA 27 5.394 -1.286 5.001 222 H LEU 28 H LEU 28 3.822 1.355 7.421 223 HA LEU 28 HA LEU 28 5.819 0.475 9.386 224 1HB LEU 28 2HB LEU 28 4.404 3.057 8.803 225 2HB LEU 28 1HB LEU 28 5.231 2.852 10.342 226 HG LEU 28 HG LEU 28 7.332 2.828 9.384 227 1HD1 LEU 28 1HD1 LEU 28 7.614 2.291 6.856 228 2HD1 LEU 28 2HD1 LEU 28 5.993 1.618 6.969 229 3HD1 LEU 28 3HD1 LEU 28 7.293 0.954 7.955 230 1HD2 LEU 28 1HD2 LEU 28 6.603 4.997 8.821 231 2HD2 LEU 28 2HD2 LEU 28 5.530 4.409 7.555 232 3HD2 LEU 28 3HD2 LEU 28 7.277 4.386 7.311 233 H ALA 29 H ALA 29 2.324 1.022 9.259 234 HA ALA 29 HA ALA 29 1.965 0.882 12.126 235 1HB ALA 29 1HB ALA 29 -0.441 0.755 11.456 236 2HB ALA 29 2HB ALA 29 0.074 0.665 9.771 237 3HB ALA 29 3HB ALA 29 0.412 2.111 10.721 238 H PHE 30 H PHE 30 0.901 -1.309 9.492 239 HA PHE 30 HA PHE 30 0.322 -3.443 11.372 240 1HB PHE 30 2HB PHE 30 -0.378 -2.825 8.730 241 2HB PHE 30 1HB PHE 30 0.571 -4.308 8.595 242 HD1 PHE 30 1HD PHE 30 -2.517 -2.795 9.856 243 HD2 PHE 30 2HD PHE 30 -0.134 -6.367 9.774 244 HE1 PHE 30 1HE PHE 30 -4.457 -4.106 10.671 245 HE2 PHE 30 2HE PHE 30 -2.073 -7.680 10.589 246 HZ PHE 30 HZ PHE 30 -4.235 -6.549 11.039 247 H SER 31 H SER 31 2.824 -3.045 8.841 248 HA SER 31 HA SER 31 4.369 -5.224 10.202 249 1HB SER 31 2HB SER 31 3.767 -4.671 7.382 250 2HB SER 31 1HB SER 31 5.476 -4.967 7.684 251 HG SER 31 HG SER 31 3.625 -6.630 8.940 252 HA PRO 32 HA PRO 32 6.431 -1.016 10.785 253 1HB PRO 32 2HB PRO 32 7.595 -2.011 13.178 254 2HB PRO 32 1HB PRO 32 6.217 -0.900 13.046 255 1HG PRO 32 2HG PRO 32 6.249 -3.825 13.501 256 2HG PRO 32 1HG PRO 32 5.087 -2.603 14.048 257 1HD PRO 32 2HD PRO 32 4.500 -4.320 12.052 258 2HD PRO 32 1HD PRO 32 3.888 -2.652 12.047 259 H TYR 33 H TYR 33 7.482 -4.340 10.626 260 HA TYR 33 HA TYR 33 10.321 -3.655 10.588 261 1HB TYR 33 2HB TYR 33 9.085 -6.257 9.680 262 2HB TYR 33 1HB TYR 33 10.699 -5.984 10.345 263 HD1 TYR 33 1HD TYR 33 10.768 -4.927 12.760 264 HD2 TYR 33 2HD TYR 33 7.379 -6.989 11.110 265 HE1 TYR 33 1HE TYR 33 9.902 -5.331 15.047 266 HE2 TYR 33 2HE TYR 33 6.513 -7.392 13.398 267 HH TYR 33 HH TYR 33 8.206 -7.296 16.050 268 H PHE 34 H PHE 34 7.924 -3.128 8.347 269 HA PHE 34 HA PHE 34 9.197 -4.128 5.950 270 1HB PHE 34 2HB PHE 34 6.976 -2.229 6.528 271 2HB PHE 34 1HB PHE 34 7.905 -1.848 5.101 272 HD1 PHE 34 1HD PHE 34 5.025 -3.372 6.010 273 HD2 PHE 34 2HD PHE 34 8.598 -4.242 3.794 274 HE1 PHE 34 1HE PHE 34 3.810 -5.126 4.745 275 HE2 PHE 34 2HE PHE 34 7.387 -6.003 2.535 276 HZ PHE 34 HZ PHE 34 4.993 -6.440 3.005 277 H THR 35 H THR 35 10.979 -3.471 5.032 278 HA THR 35 HA THR 35 12.337 -1.146 6.127 279 HB THR 35 HB THR 35 13.663 -1.984 3.774 280 HG1 THR 35 1HG THR 35 13.652 -4.314 4.920 281 1HG2 THR 35 1HG2 THR 35 14.012 -2.671 6.691 282 2HG2 THR 35 2HG2 THR 35 14.657 -1.251 5.867 283 3HG2 THR 35 3HG2 THR 35 15.250 -2.860 5.452 284 H GLN 36 H GLN 36 12.629 0.782 5.152 285 HA GLN 36 HA GLN 36 10.624 1.848 3.553 286 1HB GLN 36 2HB GLN 36 12.418 2.998 4.937 287 2HB GLN 36 1HB GLN 36 13.504 2.745 3.570 288 1HG GLN 36 2HG GLN 36 12.411 4.984 3.548 289 2HG GLN 36 1HG GLN 36 12.068 4.048 2.106 290 1HE2 GLN 36 1HE2 GLN 36 9.881 3.010 2.017 291 2HE2 GLN 36 2HE2 GLN 36 8.602 3.692 2.894 292 H GLU 37 H GLU 37 13.517 0.170 2.661 293 HA GLU 37 HA GLU 37 13.430 0.909 -0.168 294 1HB GLU 37 2HB GLU 37 14.896 -1.297 1.318 295 2HB GLU 37 1HB GLU 37 15.068 -1.015 -0.415 296 1HG GLU 37 2HG GLU 37 15.757 1.335 0.077 297 2HG GLU 37 1HG GLU 37 15.694 0.959 1.799 298 H ASP 38 H ASP 38 12.211 -1.813 1.773 299 HA ASP 38 HA ASP 38 11.348 -3.342 -0.541 300 1HB ASP 38 2HB ASP 38 10.297 -3.509 2.297 301 2HB ASP 38 1HB ASP 38 10.216 -4.764 1.055 302 H ILE 39 H ILE 39 9.878 -0.951 1.594 303 HA ILE 39 HA ILE 39 7.192 -1.240 0.546 304 HB ILE 39 HB ILE 39 8.395 1.217 1.840 305 1HG1 ILE 39 2HG1 ILE 39 6.974 -0.907 3.396 306 2HG1 ILE 39 1HG1 ILE 39 8.674 -1.152 2.998 307 1HG2 ILE 39 1HG2 ILE 39 5.838 0.674 0.859 308 2HG2 ILE 39 2HG2 ILE 39 6.268 1.970 1.971 309 3HG2 ILE 39 3HG2 ILE 39 5.690 0.426 2.596 310 1HD1 ILE 39 1HD1 ILE 39 8.295 1.562 3.956 311 2HD1 ILE 39 2HD1 ILE 39 9.285 0.282 4.652 312 3HD1 ILE 39 3HD1 ILE 39 7.593 0.431 5.110 313 H VAL 40 H VAL 40 9.820 1.065 -0.004 314 HA VAL 40 HA VAL 40 8.405 2.506 -2.080 315 HB VAL 40 HB VAL 40 10.510 3.672 -2.335 316 1HG1 VAL 40 1HG1 VAL 40 9.559 3.004 0.432 317 2HG1 VAL 40 2HG1 VAL 40 9.184 4.428 -0.533 318 3HG1 VAL 40 3HG1 VAL 40 10.796 4.228 0.155 319 1HG2 VAL 40 1HG2 VAL 40 12.249 2.201 -2.253 320 2HG2 VAL 40 2HG2 VAL 40 11.508 1.248 -0.972 321 3HG2 VAL 40 3HG2 VAL 40 12.301 2.782 -0.590 322 H LYS 41 H LYS 41 10.984 -0.004 -2.090 323 HA LYS 41 HA LYS 41 11.345 0.086 -4.926 324 1HB LYS 41 2HB LYS 41 12.855 -1.201 -3.418 325 2HB LYS 41 1HB LYS 41 11.528 -2.306 -3.050 326 1HG LYS 41 2HG LYS 41 11.408 -3.026 -5.362 327 2HG LYS 41 1HG LYS 41 12.594 -1.812 -5.844 328 1HD LYS 41 2HD LYS 41 14.348 -2.909 -4.654 329 2HD LYS 41 1HD LYS 41 13.211 -3.953 -3.800 330 1HE LYS 41 2HE LYS 41 12.629 -5.093 -5.871 331 2HE LYS 41 1HE LYS 41 13.638 -3.986 -6.801 332 1HZ LYS 41 1HZ LYS 41 14.588 -5.868 -4.710 333 2HZ LYS 41 2HZ LYS 41 15.567 -4.778 -5.569 334 3HZ LYS 41 3HZ LYS 41 14.794 -6.053 -6.383 335 H PHE 42 H PHE 42 9.389 -2.091 -2.882 336 HA PHE 42 HA PHE 42 7.904 -3.214 -5.009 337 1HB PHE 42 2HB PHE 42 8.141 -3.910 -2.502 338 2HB PHE 42 1HB PHE 42 6.725 -2.881 -2.249 339 HD1 PHE 42 1HD PHE 42 4.579 -3.805 -2.667 340 HD2 PHE 42 2HD PHE 42 8.037 -5.578 -4.499 341 HE1 PHE 42 1HE PHE 42 3.172 -5.630 -3.584 342 HE2 PHE 42 2HE PHE 42 6.624 -7.397 -5.413 343 HZ PHE 42 HZ PHE 42 4.188 -7.421 -4.956 344 H PHE 43 H PHE 43 7.029 -0.421 -2.855 345 HA PHE 43 HA PHE 43 4.476 0.027 -4.091 346 1HB PHE 43 2HB PHE 43 5.069 1.137 -2.032 347 2HB PHE 43 1HB PHE 43 6.446 1.920 -2.802 348 HD1 PHE 43 1HD PHE 43 5.974 3.536 -4.765 349 HD2 PHE 43 2HD PHE 43 2.963 2.168 -2.040 350 HE1 PHE 43 1HE PHE 43 4.553 5.461 -5.345 351 HE2 PHE 43 2HE PHE 43 1.563 4.117 -2.622 352 HZ PHE 43 HZ PHE 43 2.352 5.753 -4.290 353 H GLU 44 H GLU 44 7.633 1.415 -4.687 354 HA GLU 44 HA GLU 44 6.976 3.022 -6.966 355 1HB GLU 44 2HB GLU 44 9.552 1.531 -6.350 356 2HB GLU 44 1HB GLU 44 9.381 2.712 -7.641 357 1HG GLU 44 2HG GLU 44 8.550 3.495 -4.865 358 2HG GLU 44 1HG GLU 44 10.272 3.471 -5.268 359 H GLU 45 H GLU 45 7.722 -0.396 -6.595 360 HA GLU 45 HA GLU 45 7.643 -1.042 -9.419 361 1HB GLU 45 2HB GLU 45 8.677 -2.298 -7.299 362 2HB GLU 45 1HB GLU 45 7.089 -3.077 -7.299 363 1HG GLU 45 2HG GLU 45 9.003 -2.922 -9.639 364 2HG GLU 45 1HG GLU 45 8.712 -4.356 -8.654 365 H ILE 46 H ILE 46 5.329 -1.161 -6.727 366 HA ILE 46 HA ILE 46 3.349 -2.512 -8.413 367 HB ILE 46 HB ILE 46 3.773 -2.515 -5.717 368 1HG1 ILE 46 2HG1 ILE 46 1.356 -3.464 -5.663 369 2HG1 ILE 46 1HG1 ILE 46 1.343 -3.124 -7.397 370 1HG2 ILE 46 1HG2 ILE 46 1.291 -0.866 -6.100 371 2HG2 ILE 46 2HG2 ILE 46 2.846 -0.161 -5.649 372 3HG2 ILE 46 3HG2 ILE 46 2.065 -1.329 -4.586 373 1HD1 ILE 46 1HD1 ILE 46 2.770 -5.234 -5.904 374 2HD1 ILE 46 2HD1 ILE 46 3.756 -4.408 -7.110 375 3HD1 ILE 46 3HD1 ILE 46 2.255 -5.199 -7.589 376 H ASP 47 H ASP 47 3.849 0.791 -7.136 377 HA ASP 47 HA ASP 47 1.339 1.787 -8.182 378 1HB ASP 47 2HB ASP 47 2.624 3.091 -6.520 379 2HB ASP 47 1HB ASP 47 3.971 3.225 -7.656 380 H VAL 48 H VAL 48 1.391 0.606 -10.273 381 HA VAL 48 HA VAL 48 3.515 1.046 -12.172 382 HB VAL 48 HB VAL 48 2.149 -0.971 -12.107 383 1HG1 VAL 48 1HG1 VAL 48 -0.154 -0.996 -12.180 384 2HG1 VAL 48 2HG1 VAL 48 -0.239 0.446 -13.186 385 3HG1 VAL 48 3HG1 VAL 48 0.062 0.599 -11.459 386 1HG2 VAL 48 1HG2 VAL 48 3.026 0.070 -14.316 387 2HG2 VAL 48 2HG2 VAL 48 1.346 0.521 -14.604 388 3HG2 VAL 48 3HG2 VAL 48 1.787 -1.179 -14.445 389 H ASP 49 H ASP 49 0.466 2.623 -11.559 390 HA ASP 49 HA ASP 49 0.280 3.737 -14.231 391 1HB ASP 49 2HB ASP 49 -1.836 3.815 -13.468 392 2HB ASP 49 1HB ASP 49 -1.306 3.679 -11.793 393 H GLY 50 H GLY 50 2.073 4.458 -11.452 394 1HA GLY 50 2HA GLY 50 3.683 6.044 -11.155 395 2HA GLY 50 1HA GLY 50 3.361 6.651 -12.773 396 H ASN 51 H ASN 51 0.530 6.579 -10.840 397 HA ASN 51 HA ASN 51 0.488 9.494 -10.770 398 1HB ASN 51 2HB ASN 51 -1.680 9.205 -9.603 399 2HB ASN 51 1HB ASN 51 -1.614 8.226 -11.071 400 1HD2 ASN 51 1HD2 ASN 51 0.462 6.654 -9.060 401 2HD2 ASN 51 2HD2 ASN 51 -0.610 5.572 -8.310 402 H GLY 52 H GLY 52 2.114 7.259 -9.080 403 1HA GLY 52 2HA GLY 52 3.409 7.515 -7.125 404 2HA GLY 52 1HA GLY 52 2.632 9.079 -6.875 405 H GLU 53 H GLU 53 0.579 6.350 -7.434 406 HA GLU 53 HA GLU 53 0.144 5.940 -4.532 407 1HB GLU 53 2HB GLU 53 -2.316 6.359 -6.149 408 2HB GLU 53 1HB GLU 53 -2.009 6.798 -4.472 409 1HG GLU 53 2HG GLU 53 -0.548 8.653 -5.250 410 2HG GLU 53 1HG GLU 53 -0.949 8.240 -6.918 411 H LEU 54 H LEU 54 -1.110 4.053 -4.008 412 HA LEU 54 HA LEU 54 -0.688 1.887 -5.914 413 1HB LEU 54 2HB LEU 54 -2.102 2.020 -3.251 414 2HB LEU 54 1HB LEU 54 -1.800 0.579 -4.121 415 HG LEU 54 HG LEU 54 0.037 0.449 -2.846 416 1HD1 LEU 54 1HD1 LEU 54 0.886 1.035 -5.193 417 2HD1 LEU 54 2HD1 LEU 54 2.017 1.236 -3.872 418 3HD1 LEU 54 3HD1 LEU 54 1.200 2.641 -4.555 419 1HD2 LEU 54 1HD2 LEU 54 0.977 2.465 -1.768 420 2HD2 LEU 54 2HD2 LEU 54 -0.722 2.193 -1.452 421 3HD2 LEU 54 3HD2 LEU 54 -0.237 3.413 -2.620 422 H ASN 55 H ASN 55 -2.074 1.458 -7.456 423 HA ASN 55 HA ASN 55 -4.814 2.502 -7.390 424 1HB ASN 55 2HB ASN 55 -4.744 0.720 -9.515 425 2HB ASN 55 1HB ASN 55 -4.433 2.448 -9.615 426 1HD2 ASN 55 1HD2 ASN 55 -3.163 -0.254 -10.775 427 2HD2 ASN 55 2HD2 ASN 55 -1.506 0.081 -10.674 428 H ALA 56 H ALA 56 -6.551 0.821 -8.167 429 HA ALA 56 HA ALA 56 -7.041 -0.933 -5.981 430 1HB ALA 56 1HB ALA 56 -8.958 -1.710 -7.383 431 2HB ALA 56 2HB ALA 56 -8.320 -0.719 -8.698 432 3HB ALA 56 3HB ALA 56 -8.848 0.040 -7.197 433 H ASP 57 H ASP 57 -6.375 -1.980 -9.401 434 HA ASP 57 HA ASP 57 -6.120 -4.719 -8.688 435 1HB ASP 57 2HB ASP 57 -6.333 -3.927 -11.021 436 2HB ASP 57 1HB ASP 57 -4.717 -3.229 -10.927 437 H GLU 58 H GLU 58 -3.684 -2.142 -8.805 438 HA GLU 58 HA GLU 58 -1.476 -3.889 -8.156 439 1HB GLU 58 2HB GLU 58 -1.845 -0.886 -8.055 440 2HB GLU 58 1HB GLU 58 -0.353 -1.659 -7.536 441 1HG GLU 58 2HG GLU 58 -1.615 -1.977 -10.274 442 2HG GLU 58 1HG GLU 58 -0.253 -0.926 -9.900 443 H PHE 59 H PHE 59 -3.882 -2.109 -6.372 444 HA PHE 59 HA PHE 59 -2.761 -2.049 -3.782 445 1HB PHE 59 2HB PHE 59 -5.482 -2.176 -4.959 446 2HB PHE 59 1HB PHE 59 -5.368 -2.738 -3.314 447 HD1 PHE 59 1HD PHE 59 -3.561 -1.106 -1.933 448 HD2 PHE 59 2HD PHE 59 -6.233 -0.034 -5.083 449 HE1 PHE 59 1HE PHE 59 -3.583 1.230 -1.156 450 HE2 PHE 59 2HE PHE 59 -6.241 2.272 -4.338 451 HZ PHE 59 HZ PHE 59 -4.928 2.921 -2.385 452 H THR 60 H THR 60 -4.597 -4.621 -5.465 453 HA THR 60 HA THR 60 -4.531 -6.480 -3.277 454 HB THR 60 HB THR 60 -5.240 -8.121 -4.906 455 HG1 THR 60 1HG THR 60 -4.244 -8.008 -6.743 456 1HG2 THR 60 1HG2 THR 60 -6.798 -6.262 -4.257 457 2HG2 THR 60 2HG2 THR 60 -7.153 -6.970 -5.833 458 3HG2 THR 60 3HG2 THR 60 -6.321 -5.417 -5.730 459 H SER 61 H SER 61 -2.471 -6.040 -6.147 460 HA SER 61 HA SER 61 -0.640 -8.150 -5.368 461 1HB SER 61 2HB SER 61 -0.903 -7.113 -7.702 462 2HB SER 61 1HB SER 61 0.036 -5.755 -7.088 463 HG SER 61 HG SER 61 0.815 -8.490 -7.136 464 H CYS 62 H CYS 62 -1.215 -4.929 -4.303 465 HA CYS 62 HA CYS 62 1.474 -4.324 -3.352 466 1HB CYS 62 2HB CYS 62 -0.513 -2.674 -3.702 467 2HB CYS 62 1HB CYS 62 -1.078 -3.259 -2.138 468 HG CYS 62 HG CYS 62 1.281 -1.384 -2.575 469 H ILE 63 H ILE 63 -1.399 -5.952 -2.245 470 HA ILE 63 HA ILE 63 -0.211 -6.482 0.396 471 HB ILE 63 HB ILE 63 -2.787 -7.569 -0.770 472 1HG1 ILE 63 2HG1 ILE 63 -2.999 -5.186 -0.833 473 2HG1 ILE 63 1HG1 ILE 63 -3.798 -5.695 0.649 474 1HG2 ILE 63 1HG2 ILE 63 -3.360 -8.078 1.490 475 2HG2 ILE 63 2HG2 ILE 63 -2.035 -7.102 2.123 476 3HG2 ILE 63 3HG2 ILE 63 -1.695 -8.624 1.302 477 1HD1 ILE 63 1HD1 ILE 63 -2.448 -3.875 1.317 478 2HD1 ILE 63 2HD1 ILE 63 -1.090 -4.413 0.331 479 3HD1 ILE 63 3HD1 ILE 63 -1.524 -5.298 1.795 480 H GLU 64 H GLU 64 -0.833 -8.215 -2.734 481 HA GLU 64 HA GLU 64 -0.336 -10.794 -1.894 482 1HB GLU 64 2HB GLU 64 -0.802 -10.093 -4.256 483 2HB GLU 64 1HB GLU 64 0.850 -9.478 -4.357 484 1HG GLU 64 2HG GLU 64 1.756 -11.694 -3.950 485 2HG GLU 64 1HG GLU 64 0.140 -12.342 -3.668 486 H LYS 65 H LYS 65 1.814 -7.993 -1.883 487 HA LYS 65 HA LYS 65 4.334 -9.254 -1.864 488 1HB LYS 65 2HB LYS 65 3.861 -6.790 -1.541 489 2HB LYS 65 1HB LYS 65 3.385 -7.154 0.116 490 1HG LYS 65 2HG LYS 65 5.539 -7.306 0.796 491 2HG LYS 65 1HG LYS 65 5.934 -8.375 -0.547 492 1HD LYS 65 2HD LYS 65 6.406 -6.578 -2.000 493 2HD LYS 65 1HD LYS 65 5.587 -5.414 -0.960 494 1HE LYS 65 2HE LYS 65 7.791 -6.814 0.392 495 2HE LYS 65 1HE LYS 65 8.318 -5.867 -1.000 496 1HZ LYS 65 1HZ LYS 65 7.574 -3.922 -0.081 497 2HZ LYS 65 2HZ LYS 65 8.083 -4.751 1.311 498 3HZ LYS 65 3HZ LYS 65 6.432 -4.683 0.916 499 H MET 66 H MET 66 1.637 -9.718 0.113 500 HA MET 66 HA MET 66 2.843 -11.830 1.650 501 1HB MET 66 2HB MET 66 2.096 -10.775 3.855 502 2HB MET 66 1HB MET 66 3.530 -10.040 3.133 503 1HG MET 66 2HG MET 66 2.103 -8.283 2.120 504 2HG MET 66 1HG MET 66 0.689 -9.003 2.889 505 1HE MET 66 1HE MET 66 -0.071 -7.003 4.119 506 2HE MET 66 2HE MET 66 1.179 -6.043 3.331 507 3HE MET 66 3HE MET 66 0.944 -5.912 5.072 508 H LEU 67 H LEU 67 0.721 -12.083 3.470 509 HA LEU 67 HA LEU 67 -1.468 -12.878 3.537 510 1HB LEU 67 2HB LEU 67 -1.659 -10.276 3.014 511 2HB LEU 67 1HB LEU 67 -2.246 -10.858 1.459 512 HG LEU 67 HG LEU 67 -4.160 -10.544 2.910 513 1HD1 LEU 67 1HD1 LEU 67 -3.975 -12.623 1.436 514 2HD1 LEU 67 2HD1 LEU 67 -5.152 -12.704 2.748 515 3HD1 LEU 67 3HD1 LEU 67 -3.594 -13.516 2.910 516 1HD2 LEU 67 1HD2 LEU 67 -3.281 -12.600 4.887 517 2HD2 LEU 67 2HD2 LEU 67 -4.256 -11.151 5.125 518 3HD2 LEU 67 3HD2 LEU 67 -2.504 -11.021 5.000 Start of MODEL 9 1 HA SER 1 HA SER 1 -7.925 -11.085 -0.897 2 1HB SER 1 2HB SER 1 -9.438 -13.010 -0.716 3 2HB SER 1 1HB SER 1 -10.182 -12.310 0.718 4 HG SER 1 HG SER 1 -10.098 -11.117 -1.860 5 H SER 2 H SER 2 -8.007 -10.467 2.423 6 HA SER 2 HA SER 2 -9.843 -8.215 2.398 7 1HB SER 2 2HB SER 2 -7.791 -8.099 4.477 8 2HB SER 2 1HB SER 2 -9.537 -8.281 4.639 9 HG SER 2 HG SER 2 -7.713 -10.110 5.020 10 H ALA 3 H ALA 3 -7.752 -8.158 0.314 11 HA ALA 3 HA ALA 3 -5.810 -6.161 1.160 12 1HB ALA 3 1HB ALA 3 -5.433 -7.838 -0.691 13 2HB ALA 3 2HB ALA 3 -5.074 -6.169 -1.123 14 3HB ALA 3 3HB ALA 3 -6.575 -6.913 -1.666 15 H LYS 4 H LYS 4 -8.898 -6.165 -0.536 16 HA LYS 4 HA LYS 4 -8.754 -3.303 -1.132 17 1HB LYS 4 2HB LYS 4 -10.066 -4.791 -2.581 18 2HB LYS 4 1HB LYS 4 -11.065 -5.271 -1.216 19 1HG LYS 4 2HG LYS 4 -12.312 -3.603 -2.405 20 2HG LYS 4 1HG LYS 4 -11.690 -2.807 -0.962 21 1HD LYS 4 2HD LYS 4 -9.996 -1.677 -2.171 22 2HD LYS 4 1HD LYS 4 -10.168 -2.738 -3.569 23 1HE LYS 4 2HE LYS 4 -12.219 -0.730 -2.592 24 2HE LYS 4 1HE LYS 4 -11.213 -0.574 -4.032 25 1HZ LYS 4 1HZ LYS 4 -13.241 -1.398 -4.800 26 2HZ LYS 4 2HZ LYS 4 -13.393 -2.502 -3.517 27 3HZ LYS 4 3HZ LYS 4 -12.240 -2.766 -4.736 28 H ARG 5 H ARG 5 -10.100 -5.431 1.317 29 HA ARG 5 HA ARG 5 -11.665 -3.511 2.754 30 1HB ARG 5 2HB ARG 5 -11.597 -6.060 3.055 31 2HB ARG 5 1HB ARG 5 -10.110 -5.798 3.978 32 1HG ARG 5 2HG ARG 5 -11.430 -4.156 5.407 33 2HG ARG 5 1HG ARG 5 -12.884 -4.749 4.604 34 1HD ARG 5 2HD ARG 5 -12.469 -5.934 6.745 35 2HD ARG 5 1HD ARG 5 -12.401 -7.032 5.368 36 HE ARG 5 HE ARG 5 -9.768 -6.241 5.711 37 1HH1 ARG 5 1HH2 ARG 5 -12.260 -7.565 7.692 38 2HH1 ARG 5 2HH2 ARG 5 -11.167 -8.427 8.722 39 1HH2 ARG 5 1HH1 ARG 5 -8.326 -7.360 7.044 40 2HH2 ARG 5 2HH1 ARG 5 -8.940 -8.311 8.356 41 H VAL 6 H VAL 6 -8.338 -4.693 3.273 42 HA VAL 6 HA VAL 6 -7.704 -2.938 5.409 43 HB VAL 6 HB VAL 6 -6.415 -4.985 4.112 44 1HG1 VAL 6 1HG1 VAL 6 -5.579 -3.843 2.250 45 2HG1 VAL 6 2HG1 VAL 6 -4.216 -3.896 3.364 46 3HG1 VAL 6 3HG1 VAL 6 -5.151 -2.416 3.188 47 1HG2 VAL 6 1HG2 VAL 6 -5.827 -4.642 6.334 48 2HG2 VAL 6 2HG2 VAL 6 -5.517 -2.924 6.100 49 3HG2 VAL 6 3HG2 VAL 6 -4.356 -4.118 5.519 50 H PHE 7 H PHE 7 -7.561 -2.568 1.935 51 HA PHE 7 HA PHE 7 -6.246 0.000 1.935 52 1HB PHE 7 2HB PHE 7 -6.307 -1.131 -0.165 53 2HB PHE 7 1HB PHE 7 -8.054 -1.340 -0.083 54 HD1 PHE 7 1HD PHE 7 -7.918 -0.356 -2.458 55 HD2 PHE 7 2HD PHE 7 -6.946 1.942 1.039 56 HE1 PHE 7 1HE PHE 7 -8.252 1.745 -3.705 57 HE2 PHE 7 2HE PHE 7 -7.322 4.010 -0.218 58 HZ PHE 7 HZ PHE 7 -7.992 3.925 -2.571 59 H GLU 8 H GLU 8 -9.748 -0.875 1.873 60 HA GLU 8 HA GLU 8 -10.759 1.747 1.810 61 1HB GLU 8 2HB GLU 8 -12.765 0.760 2.254 62 2HB GLU 8 1HB GLU 8 -11.869 -0.750 2.143 63 1HG GLU 8 2HG GLU 8 -13.036 -0.917 4.187 64 2HG GLU 8 1HG GLU 8 -11.407 -0.447 4.670 65 H LYS 9 H LYS 9 -9.395 -0.067 4.501 66 HA LYS 9 HA LYS 9 -9.961 1.892 6.536 67 1HB LYS 9 2HB LYS 9 -7.693 -0.113 6.415 68 2HB LYS 9 1HB LYS 9 -8.250 0.737 7.849 69 1HG LYS 9 2HG LYS 9 -9.789 -1.295 6.214 70 2HG LYS 9 1HG LYS 9 -9.244 -1.464 7.885 71 1HD LYS 9 2HD LYS 9 -10.691 0.572 8.417 72 2HD LYS 9 1HD LYS 9 -11.389 0.374 6.810 73 1HE LYS 9 2HE LYS 9 -11.859 -2.053 7.469 74 2HE LYS 9 1HE LYS 9 -11.476 -1.570 9.122 75 1HZ LYS 9 1HZ LYS 9 -13.332 0.144 7.691 76 2HZ LYS 9 2HZ LYS 9 -13.357 -0.376 9.307 77 3HZ LYS 9 3HZ LYS 9 -13.910 -1.404 8.073 78 H PHE 10 H PHE 10 -7.152 1.424 4.393 79 HA PHE 10 HA PHE 10 -5.794 3.750 5.588 80 1HB PHE 10 2HB PHE 10 -4.994 2.247 3.104 81 2HB PHE 10 1HB PHE 10 -3.970 3.218 4.167 82 HD1 PHE 10 1HD PHE 10 -4.359 -0.027 3.325 83 HD2 PHE 10 2HD PHE 10 -4.643 2.429 6.842 84 HE1 PHE 10 1HE PHE 10 -3.877 -1.997 4.760 85 HE2 PHE 10 2HE PHE 10 -4.177 0.458 8.260 86 HZ PHE 10 HZ PHE 10 -3.796 -1.757 7.219 87 H ASP 11 H ASP 11 -8.112 3.214 3.101 88 HA ASP 11 HA ASP 11 -7.383 5.186 1.243 89 1HB ASP 11 2HB ASP 11 -9.722 5.366 0.672 90 2HB ASP 11 1HB ASP 11 -9.437 3.685 1.136 91 H LYS 12 H LYS 12 -6.211 6.607 2.616 92 HA LYS 12 HA LYS 12 -7.662 8.341 4.482 93 1HB LYS 12 2HB LYS 12 -5.552 8.419 5.284 94 2HB LYS 12 1HB LYS 12 -4.961 7.594 3.842 95 1HG LYS 12 2HG LYS 12 -4.791 9.724 2.653 96 2HG LYS 12 1HG LYS 12 -5.438 10.573 4.060 97 1HD LYS 12 2HD LYS 12 -3.485 10.401 5.236 98 2HD LYS 12 1HD LYS 12 -3.160 8.782 4.613 99 1HE LYS 12 2HE LYS 12 -2.157 9.600 2.654 100 2HE LYS 12 1HE LYS 12 -2.946 11.170 2.789 101 1HZ LYS 12 1HZ LYS 12 -0.909 11.732 3.558 102 2HZ LYS 12 2HZ LYS 12 -0.552 10.170 4.120 103 3HZ LYS 12 3HZ LYS 12 -1.563 11.189 5.026 104 H ASN 13 H ASN 13 -7.236 8.102 1.190 105 HA ASN 13 HA ASN 13 -7.850 11.002 0.767 106 1HB ASN 13 2HB ASN 13 -6.929 10.619 -1.566 107 2HB ASN 13 1HB ASN 13 -5.723 10.541 -0.277 108 1HD2 ASN 13 1HD2 ASN 13 -4.426 9.136 -1.780 109 2HD2 ASN 13 2HD2 ASN 13 -4.823 7.492 -1.927 110 H LYS 14 H LYS 14 -9.386 8.316 1.160 111 HA LYS 14 HA LYS 14 -11.115 7.075 -0.045 112 1HB LYS 14 2HB LYS 14 -12.237 9.885 -0.149 113 2HB LYS 14 1HB LYS 14 -13.103 8.372 0.097 114 1HG LYS 14 2HG LYS 14 -13.003 9.045 2.296 115 2HG LYS 14 1HG LYS 14 -11.452 8.214 2.208 116 1HD LYS 14 2HD LYS 14 -10.716 10.226 3.063 117 2HD LYS 14 1HD LYS 14 -10.647 10.633 1.351 118 1HE LYS 14 2HE LYS 14 -12.977 11.208 3.208 119 2HE LYS 14 1HE LYS 14 -11.810 12.395 2.628 120 1HZ LYS 14 1HZ LYS 14 -13.533 10.754 0.855 121 2HZ LYS 14 2HZ LYS 14 -12.528 12.046 0.397 122 3HZ LYS 14 3HZ LYS 14 -13.909 12.334 1.345 123 H ASP 15 H ASP 15 -9.209 7.454 -1.774 124 HA ASP 15 HA ASP 15 -10.415 8.701 -4.206 125 1HB ASP 15 2HB ASP 15 -8.117 9.451 -3.287 126 2HB ASP 15 1HB ASP 15 -7.515 7.927 -3.944 127 H GLY 16 H GLY 16 -9.078 5.596 -2.964 128 1HA GLY 16 2HA GLY 16 -9.727 3.529 -4.018 129 2HA GLY 16 1HA GLY 16 -9.976 4.415 -5.534 130 H LYS 17 H LYS 17 -7.420 5.512 -3.726 131 HA LYS 17 HA LYS 17 -5.385 3.725 -4.786 132 1HB LYS 17 2HB LYS 17 -5.334 6.647 -5.475 133 2HB LYS 17 1HB LYS 17 -4.099 5.441 -5.799 134 1HG LYS 17 2HG LYS 17 -5.131 5.318 -7.845 135 2HG LYS 17 1HG LYS 17 -6.212 4.231 -6.986 136 1HD LYS 17 2HD LYS 17 -7.679 5.761 -8.021 137 2HD LYS 17 1HD LYS 17 -7.542 6.375 -6.369 138 1HE LYS 17 2HE LYS 17 -7.156 8.322 -7.585 139 2HE LYS 17 1HE LYS 17 -5.506 7.731 -7.383 140 1HZ LYS 17 1HZ LYS 17 -6.734 8.283 -9.751 141 2HZ LYS 17 2HZ LYS 17 -6.806 6.587 -9.657 142 3HZ LYS 17 3HZ LYS 17 -5.310 7.384 -9.553 143 H LEU 18 H LEU 18 -3.530 3.860 -3.717 144 HA LEU 18 HA LEU 18 -3.472 5.588 -1.295 145 1HB LEU 18 2HB LEU 18 -2.939 2.799 -1.707 146 2HB LEU 18 1HB LEU 18 -1.672 3.635 -0.892 147 HG LEU 18 HG LEU 18 -3.275 4.577 0.655 148 1HD1 LEU 18 1HD1 LEU 18 -5.234 4.300 -0.926 149 2HD1 LEU 18 2HD1 LEU 18 -5.499 3.938 0.779 150 3HD1 LEU 18 3HD1 LEU 18 -5.249 2.629 -0.366 151 1HD2 LEU 18 1HD2 LEU 18 -2.247 1.981 0.442 152 2HD2 LEU 18 2HD2 LEU 18 -3.876 1.827 1.098 153 3HD2 LEU 18 3HD2 LEU 18 -2.688 2.839 1.913 154 H SER 19 H SER 19 -1.457 6.289 -0.615 155 HA SER 19 HA SER 19 0.479 6.693 -2.836 156 1HB SER 19 2HB SER 19 0.407 8.162 -0.228 157 2HB SER 19 1HB SER 19 1.155 8.676 -1.740 158 HG SER 19 HG SER 19 -0.959 9.639 -1.144 159 H LEU 20 H LEU 20 2.722 6.330 -2.287 160 HA LEU 20 HA LEU 20 3.258 4.064 -0.742 161 1HB LEU 20 2HB LEU 20 4.792 5.338 -2.365 162 2HB LEU 20 1HB LEU 20 5.124 6.430 -1.031 163 HG LEU 20 HG LEU 20 6.611 4.287 -1.553 164 1HD1 LEU 20 1HD1 LEU 20 7.323 5.806 0.051 165 2HD1 LEU 20 2HD1 LEU 20 7.132 4.304 0.956 166 3HD1 LEU 20 3HD1 LEU 20 5.893 5.555 1.048 167 1HD2 LEU 20 1HD2 LEU 20 6.050 2.359 -0.365 168 2HD2 LEU 20 2HD2 LEU 20 4.501 2.860 -0.990 169 3HD2 LEU 20 3HD2 LEU 20 4.912 3.214 0.668 170 H ASP 21 H ASP 21 2.580 7.210 0.008 171 HA ASP 21 HA ASP 21 3.586 7.371 2.701 172 1HB ASP 21 2HB ASP 21 1.118 8.861 1.853 173 2HB ASP 21 1HB ASP 21 2.470 9.414 2.842 174 H GLU 22 H GLU 22 0.301 6.459 1.346 175 HA GLU 22 HA GLU 22 -0.714 5.902 3.974 176 1HB GLU 22 2HB GLU 22 -1.665 5.112 1.233 177 2HB GLU 22 1HB GLU 22 -2.559 4.807 2.723 178 1HG GLU 22 2HG GLU 22 -2.580 7.224 3.197 179 2HG GLU 22 1HG GLU 22 -1.725 7.527 1.691 180 H PHE 23 H PHE 23 0.680 3.952 1.375 181 HA PHE 23 HA PHE 23 0.323 1.424 2.668 182 1HB PHE 23 2HB PHE 23 0.606 1.628 0.254 183 2HB PHE 23 1HB PHE 23 2.206 2.273 0.524 184 HD1 PHE 23 1HD PHE 23 3.945 0.791 0.157 185 HD2 PHE 23 2HD PHE 23 0.231 -0.671 1.724 186 HE1 PHE 23 1HE PHE 23 4.883 -1.505 0.226 187 HE2 PHE 23 2HE PHE 23 1.162 -2.967 1.798 188 HZ PHE 23 HZ PHE 23 3.489 -3.385 1.048 189 H ARG 24 H ARG 24 2.685 4.029 2.861 190 HA ARG 24 HA ARG 24 4.752 2.397 4.172 191 1HB ARG 24 2HB ARG 24 5.498 4.312 2.885 192 2HB ARG 24 1HB ARG 24 4.431 5.389 3.791 193 1HG ARG 24 2HG ARG 24 5.669 4.962 5.822 194 2HG ARG 24 1HG ARG 24 6.678 3.771 5.014 195 1HD ARG 24 2HD ARG 24 7.974 5.766 5.056 196 2HD ARG 24 1HD ARG 24 7.334 5.656 3.418 197 HE ARG 24 HE ARG 24 5.442 7.169 4.749 198 1HH1 ARG 24 1HH2 ARG 24 8.861 7.268 4.319 199 2HH1 ARG 24 2HH2 ARG 24 8.958 8.994 4.417 200 1HH2 ARG 24 1HH1 ARG 24 5.548 9.423 4.879 201 2HH2 ARG 24 2HH1 ARG 24 7.082 10.214 4.735 202 H GLU 25 H GLU 25 2.067 4.400 4.967 203 HA GLU 25 HA GLU 25 2.639 4.505 7.863 204 1HB GLU 25 2HB GLU 25 0.206 5.157 6.172 205 2HB GLU 25 1HB GLU 25 0.111 5.122 7.934 206 1HG GLU 25 2HG GLU 25 1.852 6.818 8.105 207 2HG GLU 25 1HG GLU 25 2.084 6.800 6.357 208 H VAL 26 H VAL 26 0.867 2.720 5.519 209 HA VAL 26 HA VAL 26 -0.533 0.798 7.104 210 HB VAL 26 HB VAL 26 0.412 1.243 4.346 211 1HG1 VAL 26 1HG1 VAL 26 -0.625 -1.030 3.702 212 2HG1 VAL 26 2HG1 VAL 26 -0.235 -1.479 5.358 213 3HG1 VAL 26 3HG1 VAL 26 1.047 -0.975 4.254 214 1HG2 VAL 26 1HG2 VAL 26 -1.719 2.068 4.846 215 2HG2 VAL 26 2HG2 VAL 26 -2.189 0.539 5.570 216 3HG2 VAL 26 3HG2 VAL 26 -1.947 0.649 3.827 217 H ALA 27 H ALA 27 2.574 0.861 5.482 218 HA ALA 27 HA ALA 27 3.282 -1.821 6.210 219 1HB ALA 27 1HB ALA 27 5.066 0.392 5.169 220 2HB ALA 27 2HB ALA 27 4.093 -0.665 4.146 221 3HB ALA 27 3HB ALA 27 5.403 -1.337 5.115 222 H LEU 28 H LEU 28 4.058 1.376 7.359 223 HA LEU 28 HA LEU 28 5.992 0.457 9.347 224 1HB LEU 28 2HB LEU 28 4.650 3.075 8.758 225 2HB LEU 28 1HB LEU 28 5.516 2.861 10.277 226 HG LEU 28 HG LEU 28 7.588 2.654 9.242 227 1HD1 LEU 28 1HD1 LEU 28 6.056 1.713 6.819 228 2HD1 LEU 28 2HD1 LEU 28 7.304 0.862 7.724 229 3HD1 LEU 28 3HD1 LEU 28 7.735 2.222 6.695 230 1HD2 LEU 28 1HD2 LEU 28 5.795 4.543 7.783 231 2HD2 LEU 28 2HD2 LEU 28 7.411 4.283 7.129 232 3HD2 LEU 28 3HD2 LEU 28 7.210 4.875 8.774 233 H ALA 29 H ALA 29 2.520 1.080 9.272 234 HA ALA 29 HA ALA 29 2.205 1.059 12.147 235 1HB ALA 29 1HB ALA 29 -0.220 0.891 11.529 236 2HB ALA 29 2HB ALA 29 0.268 0.754 9.841 237 3HB ALA 29 3HB ALA 29 0.617 2.229 10.742 238 H PHE 30 H PHE 30 1.094 -1.271 9.645 239 HA PHE 30 HA PHE 30 0.659 -3.303 11.711 240 1HB PHE 30 2HB PHE 30 0.080 -3.005 8.807 241 2HB PHE 30 1HB PHE 30 0.275 -4.658 9.400 242 HD1 PHE 30 1HD PHE 30 -1.535 -5.737 10.421 243 HD2 PHE 30 2HD PHE 30 -1.471 -1.445 10.240 244 HE1 PHE 30 1HE PHE 30 -3.819 -5.662 11.382 245 HE2 PHE 30 2HE PHE 30 -3.756 -1.371 11.201 246 HZ PHE 30 HZ PHE 30 -4.931 -3.479 11.772 247 H SER 31 H SER 31 2.857 -2.978 8.903 248 HA SER 31 HA SER 31 4.462 -5.238 10.045 249 1HB SER 31 2HB SER 31 3.561 -5.575 7.743 250 2HB SER 31 1HB SER 31 4.454 -4.151 7.216 251 HG SER 31 HG SER 31 5.322 -6.697 7.744 252 HA PRO 32 HA PRO 32 6.747 -1.142 10.615 253 1HB PRO 32 2HB PRO 32 7.936 -2.122 12.982 254 2HB PRO 32 1HB PRO 32 6.564 -1.003 12.881 255 1HG PRO 32 2HG PRO 32 6.590 -3.922 13.372 256 2HG PRO 32 1HG PRO 32 5.463 -2.682 13.953 257 1HD PRO 32 2HD PRO 32 4.803 -4.424 11.982 258 2HD PRO 32 1HD PRO 32 4.164 -2.766 12.026 259 H TYR 33 H TYR 33 7.614 -4.533 10.495 260 HA TYR 33 HA TYR 33 10.473 -4.086 10.410 261 1HB TYR 33 2HB TYR 33 9.432 -6.493 9.045 262 2HB TYR 33 1HB TYR 33 10.596 -6.363 10.367 263 HD1 TYR 33 1HD TYR 33 9.715 -5.869 12.718 264 HD2 TYR 33 2HD TYR 33 7.177 -7.065 9.467 265 HE1 TYR 33 1HE TYR 33 7.950 -6.518 14.335 266 HE2 TYR 33 2HE TYR 33 5.412 -7.715 11.083 267 HH TYR 33 HH TYR 33 5.995 -7.614 14.576 268 H PHE 34 H PHE 34 7.940 -3.511 8.194 269 HA PHE 34 HA PHE 34 9.348 -4.102 5.744 270 1HB PHE 34 2HB PHE 34 6.932 -2.477 6.465 271 2HB PHE 34 1HB PHE 34 7.752 -2.060 4.981 272 HD1 PHE 34 1HD PHE 34 7.599 -5.454 6.406 273 HD2 PHE 34 2HD PHE 34 6.079 -2.791 3.398 274 HE1 PHE 34 1HE PHE 34 6.517 -7.370 5.262 275 HE2 PHE 34 2HE PHE 34 4.998 -4.708 2.256 276 HZ PHE 34 HZ PHE 34 5.216 -6.994 3.187 277 H THR 35 H THR 35 11.152 -3.235 5.140 278 HA THR 35 HA THR 35 12.064 -0.749 6.335 279 HB THR 35 HB THR 35 13.742 -1.406 4.161 280 HG1 THR 35 1HG THR 35 12.338 -3.430 4.432 281 1HG2 THR 35 1HG2 THR 35 14.393 -0.569 6.345 282 2HG2 THR 35 2HG2 THR 35 15.223 -2.089 6.014 283 3HG2 THR 35 3HG2 THR 35 13.836 -2.060 7.102 284 H GLN 36 H GLN 36 12.249 1.200 5.366 285 HA GLN 36 HA GLN 36 10.321 2.040 3.556 286 1HB GLN 36 2HB GLN 36 11.877 3.400 5.047 287 2HB GLN 36 1HB GLN 36 13.083 3.233 3.771 288 1HG GLN 36 2HG GLN 36 11.697 5.347 3.641 289 2HG GLN 36 1HG GLN 36 11.695 4.381 2.179 290 1HE2 GLN 36 1HE2 GLN 36 9.606 4.984 1.424 291 2HE2 GLN 36 2HE2 GLN 36 8.181 4.606 2.258 292 H GLU 37 H GLU 37 13.427 0.591 2.932 293 HA GLU 37 HA GLU 37 13.460 1.270 0.087 294 1HB GLU 37 2HB GLU 37 14.998 -0.762 1.740 295 2HB GLU 37 1HB GLU 37 15.242 -0.555 0.004 296 1HG GLU 37 2HG GLU 37 16.888 0.798 1.150 297 2HG GLU 37 1HG GLU 37 15.696 1.884 0.433 298 H ASP 38 H ASP 38 12.378 -1.488 2.042 299 HA ASP 38 HA ASP 38 11.710 -3.136 -0.255 300 1HB ASP 38 2HB ASP 38 11.975 -3.635 2.423 301 2HB ASP 38 1HB ASP 38 10.218 -3.568 2.280 302 H ILE 39 H ILE 39 10.000 -0.840 1.803 303 HA ILE 39 HA ILE 39 7.377 -1.310 0.690 304 HB ILE 39 HB ILE 39 8.370 1.262 1.944 305 1HG1 ILE 39 2HG1 ILE 39 7.121 -0.986 3.486 306 2HG1 ILE 39 1HG1 ILE 39 8.858 -0.981 3.216 307 1HG2 ILE 39 1HG2 ILE 39 6.178 1.826 2.035 308 2HG2 ILE 39 2HG2 ILE 39 5.719 0.239 2.649 309 3HG2 ILE 39 3HG2 ILE 39 5.898 0.495 0.916 310 1HD1 ILE 39 1HD1 ILE 39 9.144 0.565 4.845 311 2HD1 ILE 39 2HD1 ILE 39 7.432 0.407 5.224 312 3HD1 ILE 39 3HD1 ILE 39 7.970 1.644 4.091 313 H VAL 40 H VAL 40 9.891 1.102 0.091 314 HA VAL 40 HA VAL 40 8.395 2.417 -2.010 315 HB VAL 40 HB VAL 40 10.456 3.669 -2.347 316 1HG1 VAL 40 1HG1 VAL 40 10.645 4.415 0.090 317 2HG1 VAL 40 2HG1 VAL 40 9.490 3.129 0.444 318 3HG1 VAL 40 3HG1 VAL 40 9.037 4.451 -0.629 319 1HG2 VAL 40 1HG2 VAL 40 12.287 2.345 -2.112 320 2HG2 VAL 40 2HG2 VAL 40 11.549 1.395 -0.826 321 3HG2 VAL 40 3HG2 VAL 40 12.224 2.990 -0.472 322 H LYS 41 H LYS 41 11.033 -0.019 -1.977 323 HA LYS 41 HA LYS 41 11.439 0.004 -4.810 324 1HB LYS 41 2HB LYS 41 12.808 -1.298 -3.078 325 2HB LYS 41 1HB LYS 41 11.474 -2.458 -3.014 326 1HG LYS 41 2HG LYS 41 12.771 -1.687 -5.638 327 2HG LYS 41 1HG LYS 41 13.445 -2.962 -4.625 328 1HD LYS 41 2HD LYS 41 10.971 -3.880 -4.629 329 2HD LYS 41 1HD LYS 41 10.817 -2.894 -6.082 330 1HE LYS 41 2HE LYS 41 11.494 -5.153 -6.709 331 2HE LYS 41 1HE LYS 41 12.821 -4.035 -7.029 332 1HZ LYS 41 1HZ LYS 41 14.093 -5.221 -5.685 333 2HZ LYS 41 2HZ LYS 41 12.813 -6.291 -5.371 334 3HZ LYS 41 3HZ LYS 41 13.041 -4.925 -4.388 335 H PHE 42 H PHE 42 9.447 -2.082 -2.746 336 HA PHE 42 HA PHE 42 7.961 -3.312 -4.780 337 1HB PHE 42 2HB PHE 42 8.105 -4.052 -2.424 338 2HB PHE 42 1HB PHE 42 7.103 -2.681 -1.946 339 HD1 PHE 42 1HD PHE 42 4.927 -3.327 -1.483 340 HD2 PHE 42 2HD PHE 42 6.996 -5.190 -4.757 341 HE1 PHE 42 1HE PHE 42 2.908 -4.640 -2.018 342 HE2 PHE 42 2HE PHE 42 4.968 -6.497 -5.296 343 HZ PHE 42 HZ PHE 42 2.925 -6.228 -3.928 344 H PHE 43 H PHE 43 7.062 -0.413 -2.810 345 HA PHE 43 HA PHE 43 4.538 -0.020 -4.134 346 1HB PHE 43 2HB PHE 43 5.024 1.066 -2.043 347 2HB PHE 43 1HB PHE 43 6.428 1.875 -2.734 348 HD1 PHE 43 1HD PHE 43 6.002 3.504 -4.730 349 HD2 PHE 43 2HD PHE 43 2.938 2.105 -2.081 350 HE1 PHE 43 1HE PHE 43 4.579 5.422 -5.334 351 HE2 PHE 43 2HE PHE 43 1.540 4.049 -2.683 352 HZ PHE 43 HZ PHE 43 2.357 5.695 -4.325 353 H GLU 44 H GLU 44 7.691 1.473 -4.620 354 HA GLU 44 HA GLU 44 6.980 3.046 -6.919 355 1HB GLU 44 2HB GLU 44 9.665 1.759 -6.288 356 2HB GLU 44 1HB GLU 44 9.402 3.031 -7.478 357 1HG GLU 44 2HG GLU 44 8.502 3.451 -4.637 358 2HG GLU 44 1HG GLU 44 10.201 3.685 -5.062 359 H GLU 45 H GLU 45 7.769 -0.320 -6.461 360 HA GLU 45 HA GLU 45 7.986 -0.993 -9.280 361 1HB GLU 45 2HB GLU 45 9.164 -2.325 -7.631 362 2HB GLU 45 1HB GLU 45 7.655 -2.592 -6.742 363 1HG GLU 45 2HG GLU 45 6.762 -3.946 -8.435 364 2HG GLU 45 1HG GLU 45 7.982 -3.459 -9.609 365 H ILE 46 H ILE 46 5.498 -1.136 -6.752 366 HA ILE 46 HA ILE 46 3.641 -2.490 -8.591 367 HB ILE 46 HB ILE 46 3.962 -2.606 -5.863 368 1HG1 ILE 46 2HG1 ILE 46 1.650 -3.744 -5.970 369 2HG1 ILE 46 1HG1 ILE 46 1.656 -3.291 -7.675 370 1HG2 ILE 46 1HG2 ILE 46 1.400 -1.104 -6.325 371 2HG2 ILE 46 2HG2 ILE 46 2.871 -0.340 -5.718 372 3HG2 ILE 46 3HG2 ILE 46 2.091 -1.619 -4.788 373 1HD1 ILE 46 1HD1 ILE 46 2.752 -5.248 -8.006 374 2HD1 ILE 46 2HD1 ILE 46 3.163 -5.405 -6.299 375 3HD1 ILE 46 3HD1 ILE 46 4.163 -4.410 -7.356 376 H ASP 47 H ASP 47 4.125 0.745 -7.223 377 HA ASP 47 HA ASP 47 1.585 1.788 -8.143 378 1HB ASP 47 2HB ASP 47 2.652 3.999 -7.876 379 2HB ASP 47 1HB ASP 47 3.034 2.989 -6.484 380 H VAL 48 H VAL 48 1.603 0.607 -10.282 381 HA VAL 48 HA VAL 48 3.636 1.147 -12.240 382 HB VAL 48 HB VAL 48 2.297 -0.883 -12.227 383 1HG1 VAL 48 1HG1 VAL 48 -0.037 -0.932 -12.312 384 2HG1 VAL 48 2HG1 VAL 48 -0.142 0.689 -12.997 385 3HG1 VAL 48 3HG1 VAL 48 0.251 0.478 -11.294 386 1HG2 VAL 48 1HG2 VAL 48 1.299 0.713 -14.585 387 2HG2 VAL 48 2HG2 VAL 48 1.814 -0.972 -14.547 388 3HG2 VAL 48 3HG2 VAL 48 3.010 0.318 -14.432 389 H ASP 49 H ASP 49 0.652 2.700 -11.399 390 HA ASP 49 HA ASP 49 0.287 3.888 -14.017 391 1HB ASP 49 2HB ASP 49 -1.767 4.142 -13.171 392 2HB ASP 49 1HB ASP 49 -1.189 3.661 -11.577 393 H GLY 50 H GLY 50 2.273 4.547 -11.342 394 1HA GLY 50 2HA GLY 50 3.861 6.143 -11.066 395 2HA GLY 50 1HA GLY 50 3.522 6.725 -12.692 396 H ASN 51 H ASN 51 0.711 6.699 -10.738 397 HA ASN 51 HA ASN 51 0.729 9.627 -10.668 398 1HB ASN 51 2HB ASN 51 -1.376 8.256 -11.032 399 2HB ASN 51 1HB ASN 51 -1.253 7.743 -9.345 400 1HD2 ASN 51 1HD2 ASN 51 -2.670 8.965 -8.099 401 2HD2 ASN 51 2HD2 ASN 51 -2.943 10.631 -8.283 402 H GLY 52 H GLY 52 2.250 7.334 -8.971 403 1HA GLY 52 2HA GLY 52 3.495 7.535 -6.979 404 2HA GLY 52 1HA GLY 52 2.720 9.093 -6.703 405 H GLU 53 H GLU 53 0.706 6.337 -7.392 406 HA GLU 53 HA GLU 53 0.182 5.886 -4.510 407 1HB GLU 53 2HB GLU 53 -2.247 6.301 -6.160 408 2HB GLU 53 1HB GLU 53 -1.957 6.761 -4.487 409 1HG GLU 53 2HG GLU 53 -0.533 8.632 -5.253 410 2HG GLU 53 1HG GLU 53 -0.848 8.180 -6.930 411 H LEU 54 H LEU 54 -1.085 3.996 -4.046 412 HA LEU 54 HA LEU 54 -0.625 1.852 -5.972 413 1HB LEU 54 2HB LEU 54 -2.096 1.957 -3.336 414 2HB LEU 54 1HB LEU 54 -1.804 0.529 -4.229 415 HG LEU 54 HG LEU 54 -0.024 0.350 -2.876 416 1HD1 LEU 54 1HD1 LEU 54 1.240 2.442 -4.642 417 2HD1 LEU 54 2HD1 LEU 54 0.926 0.799 -5.187 418 3HD1 LEU 54 3HD1 LEU 54 2.024 1.077 -3.849 419 1HD2 LEU 54 1HD2 LEU 54 -0.700 2.120 -1.505 420 2HD2 LEU 54 2HD2 LEU 54 -0.213 3.321 -2.692 421 3HD2 LEU 54 3HD2 LEU 54 0.999 2.366 -1.841 422 H ASN 55 H ASN 55 -2.016 1.429 -7.540 423 HA ASN 55 HA ASN 55 -4.724 2.564 -7.495 424 1HB ASN 55 2HB ASN 55 -4.666 0.760 -9.618 425 2HB ASN 55 1HB ASN 55 -4.359 2.488 -9.722 426 1HD2 ASN 55 1HD2 ASN 55 -3.085 -0.147 -10.943 427 2HD2 ASN 55 2HD2 ASN 55 -1.426 0.158 -10.799 428 H ALA 56 H ALA 56 -6.488 0.891 -8.333 429 HA ALA 56 HA ALA 56 -7.035 -0.829 -6.124 430 1HB ALA 56 1HB ALA 56 -8.325 -0.759 -8.847 431 2HB ALA 56 2HB ALA 56 -8.758 0.259 -7.473 432 3HB ALA 56 3HB ALA 56 -9.009 -1.485 -7.391 433 H ASP 57 H ASP 57 -6.392 -1.919 -9.543 434 HA ASP 57 HA ASP 57 -6.245 -4.649 -8.840 435 1HB ASP 57 2HB ASP 57 -6.294 -3.628 -11.178 436 2HB ASP 57 1HB ASP 57 -4.559 -3.362 -10.997 437 H GLU 58 H GLU 58 -3.604 -2.255 -9.025 438 HA GLU 58 HA GLU 58 -1.575 -4.129 -8.238 439 1HB GLU 58 2HB GLU 58 -1.646 -1.097 -8.122 440 2HB GLU 58 1HB GLU 58 -0.221 -2.057 -7.741 441 1HG GLU 58 2HG GLU 58 -1.663 -1.861 -10.395 442 2HG GLU 58 1HG GLU 58 -0.005 -1.392 -10.032 443 H PHE 59 H PHE 59 -3.869 -2.137 -6.548 444 HA PHE 59 HA PHE 59 -2.812 -2.031 -3.942 445 1HB PHE 59 2HB PHE 59 -5.455 -2.010 -5.216 446 2HB PHE 59 1HB PHE 59 -5.502 -2.702 -3.623 447 HD1 PHE 59 1HD PHE 59 -6.191 0.130 -5.194 448 HD2 PHE 59 2HD PHE 59 -3.680 -1.225 -2.017 449 HE1 PHE 59 1HE PHE 59 -6.207 2.363 -4.272 450 HE2 PHE 59 2HE PHE 59 -3.700 1.055 -1.067 451 HZ PHE 59 HZ PHE 59 -4.967 2.851 -2.237 452 H THR 60 H THR 60 -4.776 -4.588 -5.514 453 HA THR 60 HA THR 60 -4.767 -6.342 -3.238 454 HB THR 60 HB THR 60 -5.633 -8.010 -4.767 455 HG1 THR 60 1HG THR 60 -4.157 -6.546 -6.532 456 1HG2 THR 60 1HG2 THR 60 -7.094 -6.108 -4.138 457 2HG2 THR 60 2HG2 THR 60 -7.488 -6.745 -5.734 458 3HG2 THR 60 3HG2 THR 60 -6.567 -5.249 -5.585 459 H SER 61 H SER 61 -2.778 -6.147 -6.171 460 HA SER 61 HA SER 61 -1.077 -8.362 -5.421 461 1HB SER 61 2HB SER 61 -1.341 -7.149 -7.734 462 2HB SER 61 1HB SER 61 -0.132 -6.033 -7.092 463 HG SER 61 HG SER 61 1.067 -8.057 -6.580 464 H CYS 62 H CYS 62 -1.409 -5.098 -4.343 465 HA CYS 62 HA CYS 62 1.338 -4.723 -3.459 466 1HB CYS 62 2HB CYS 62 -0.476 -2.900 -3.826 467 2HB CYS 62 1HB CYS 62 -1.087 -3.391 -2.247 468 HG CYS 62 HG CYS 62 1.875 -2.872 -2.053 469 H ILE 63 H ILE 63 -1.676 -5.961 -2.191 470 HA ILE 63 HA ILE 63 -0.464 -6.527 0.419 471 HB ILE 63 HB ILE 63 -3.159 -7.403 -0.651 472 1HG1 ILE 63 2HG1 ILE 63 -3.174 -5.026 -0.805 473 2HG1 ILE 63 1HG1 ILE 63 -3.917 -5.373 0.752 474 1HG2 ILE 63 1HG2 ILE 63 -3.706 -7.484 1.780 475 2HG2 ILE 63 2HG2 ILE 63 -2.026 -7.086 2.146 476 3HG2 ILE 63 3HG2 ILE 63 -2.418 -8.608 1.346 477 1HD1 ILE 63 1HD1 ILE 63 -2.355 -3.662 1.212 478 2HD1 ILE 63 2HD1 ILE 63 -1.121 -4.399 0.193 479 3HD1 ILE 63 3HD1 ILE 63 -1.552 -5.140 1.736 480 H GLU 64 H GLU 64 -1.300 -8.327 -2.615 481 HA GLU 64 HA GLU 64 -0.993 -10.899 -1.685 482 1HB GLU 64 2HB GLU 64 -1.472 -10.188 -4.058 483 2HB GLU 64 1HB GLU 64 0.237 -9.784 -4.224 484 1HG GLU 64 2HG GLU 64 -0.663 -12.520 -3.315 485 2HG GLU 64 1HG GLU 64 -0.483 -12.118 -5.021 486 H LYS 65 H LYS 65 1.436 -8.308 -1.960 487 HA LYS 65 HA LYS 65 3.792 -9.871 -1.935 488 1HB LYS 65 2HB LYS 65 3.496 -7.291 -1.736 489 2HB LYS 65 1HB LYS 65 3.399 -7.583 0.000 490 1HG LYS 65 2HG LYS 65 5.594 -8.423 0.112 491 2HG LYS 65 1HG LYS 65 5.649 -8.740 -1.622 492 1HD LYS 65 2HD LYS 65 5.986 -6.510 -2.166 493 2HD LYS 65 1HD LYS 65 5.277 -5.927 -0.663 494 1HE LYS 65 2HE LYS 65 7.815 -7.548 -0.597 495 2HE LYS 65 1HE LYS 65 7.889 -5.823 -0.976 496 1HZ LYS 65 1HZ LYS 65 7.240 -7.153 1.524 497 2HZ LYS 65 2HZ LYS 65 6.279 -5.806 1.142 498 3HZ LYS 65 3HZ LYS 65 7.967 -5.644 1.250 499 H MET 66 H MET 66 1.179 -9.908 0.175 500 HA MET 66 HA MET 66 2.317 -11.957 1.859 501 1HB MET 66 2HB MET 66 1.520 -10.612 3.946 502 2HB MET 66 1HB MET 66 3.087 -10.191 3.257 503 1HG MET 66 2HG MET 66 2.089 -8.334 2.024 504 2HG MET 66 1HG MET 66 0.483 -8.785 2.597 505 1HE MET 66 1HE MET 66 2.452 -6.119 2.745 506 2HE MET 66 2HE MET 66 1.967 -5.395 4.276 507 3HE MET 66 3HE MET 66 0.738 -5.984 3.159 508 H LEU 67 H LEU 67 0.234 -12.074 3.675 509 HA LEU 67 HA LEU 67 -2.000 -12.707 3.849 510 1HB LEU 67 2HB LEU 67 -2.104 -10.182 3.043 511 2HB LEU 67 1HB LEU 67 -2.688 -10.904 1.546 512 HG LEU 67 HG LEU 67 -4.611 -10.377 2.916 513 1HD1 LEU 67 1HD1 LEU 67 -4.477 -12.612 1.683 514 2HD1 LEU 67 2HD1 LEU 67 -5.675 -12.508 2.972 515 3HD1 LEU 67 3HD1 LEU 67 -4.150 -13.347 3.253 516 1HD2 LEU 67 1HD2 LEU 67 -3.813 -12.229 5.119 517 2HD2 LEU 67 2HD2 LEU 67 -4.776 -10.755 5.181 518 3HD2 LEU 67 3HD2 LEU 67 -3.020 -10.655 5.078 Start of MODEL 10 1 HA SER 1 HA SER 1 -7.999 -11.504 0.073 2 1HB SER 1 2HB SER 1 -9.722 -12.876 -1.010 3 2HB SER 1 1HB SER 1 -10.907 -12.365 0.189 4 HG SER 1 HG SER 1 -9.588 -10.289 -1.012 5 H SER 2 H SER 2 -7.835 -9.435 0.782 6 HA SER 2 HA SER 2 -9.978 -8.025 2.073 7 1HB SER 2 2HB SER 2 -7.900 -7.982 4.090 8 2HB SER 2 1HB SER 2 -9.604 -8.394 4.270 9 HG SER 2 HG SER 2 -8.486 -10.221 4.759 10 H ALA 3 H ALA 3 -7.793 -7.824 -0.020 11 HA ALA 3 HA ALA 3 -6.011 -5.741 0.947 12 1HB ALA 3 1HB ALA 3 -5.447 -5.493 -1.485 13 2HB ALA 3 2HB ALA 3 -6.668 -6.713 -1.841 14 3HB ALA 3 3HB ALA 3 -5.256 -7.136 -0.876 15 H LYS 4 H LYS 4 -9.105 -5.849 -0.717 16 HA LYS 4 HA LYS 4 -9.077 -2.974 -1.274 17 1HB LYS 4 2HB LYS 4 -10.405 -4.238 -2.782 18 2HB LYS 4 1HB LYS 4 -11.159 -5.156 -1.485 19 1HG LYS 4 2HG LYS 4 -12.682 -3.498 -1.012 20 2HG LYS 4 1HG LYS 4 -11.543 -2.204 -1.383 21 1HD LYS 4 2HD LYS 4 -12.588 -3.956 -3.599 22 2HD LYS 4 1HD LYS 4 -13.569 -2.621 -2.996 23 1HE LYS 4 2HE LYS 4 -10.687 -2.143 -3.721 24 2HE LYS 4 1HE LYS 4 -11.917 -2.185 -4.984 25 1HZ LYS 4 1HZ LYS 4 -12.532 -0.595 -2.628 26 2HZ LYS 4 2HZ LYS 4 -12.856 -0.284 -4.266 27 3HZ LYS 4 3HZ LYS 4 -11.306 0.006 -3.634 28 H ARG 5 H ARG 5 -10.165 -5.184 1.201 29 HA ARG 5 HA ARG 5 -11.783 -3.330 2.710 30 1HB ARG 5 2HB ARG 5 -11.707 -5.884 2.921 31 2HB ARG 5 1HB ARG 5 -10.195 -5.657 3.811 32 1HG ARG 5 2HG ARG 5 -11.408 -4.156 5.399 33 2HG ARG 5 1HG ARG 5 -12.911 -4.519 4.551 34 1HD ARG 5 2HD ARG 5 -12.881 -6.783 5.217 35 2HD ARG 5 1HD ARG 5 -11.170 -6.729 5.639 36 HE ARG 5 HE ARG 5 -12.337 -4.897 7.361 37 1HH1 ARG 5 1HH2 ARG 5 -12.845 -8.194 6.491 38 2HH1 ARG 5 2HH2 ARG 5 -13.446 -8.652 8.050 39 1HH2 ARG 5 1HH1 ARG 5 -13.118 -5.475 9.402 40 2HH2 ARG 5 2HH1 ARG 5 -13.600 -7.113 9.697 41 H VAL 6 H VAL 6 -8.437 -4.516 3.119 42 HA VAL 6 HA VAL 6 -7.768 -2.806 5.291 43 HB VAL 6 HB VAL 6 -6.506 -4.843 3.957 44 1HG1 VAL 6 1HG1 VAL 6 -5.222 -2.272 3.045 45 2HG1 VAL 6 2HG1 VAL 6 -5.704 -3.666 2.086 46 3HG1 VAL 6 3HG1 VAL 6 -4.318 -3.778 3.168 47 1HG2 VAL 6 1HG2 VAL 6 -4.416 -3.985 5.334 48 2HG2 VAL 6 2HG2 VAL 6 -5.874 -4.519 6.169 49 3HG2 VAL 6 3HG2 VAL 6 -5.570 -2.800 5.946 50 H PHE 7 H PHE 7 -7.588 -2.402 1.820 51 HA PHE 7 HA PHE 7 -6.316 0.187 1.853 52 1HB PHE 7 2HB PHE 7 -6.312 -0.968 -0.241 53 2HB PHE 7 1HB PHE 7 -8.057 -1.187 -0.200 54 HD1 PHE 7 1HD PHE 7 -7.899 -0.232 -2.568 55 HD2 PHE 7 2HD PHE 7 -6.969 2.114 0.910 56 HE1 PHE 7 1HE PHE 7 -8.215 1.848 -3.847 57 HE2 PHE 7 2HE PHE 7 -7.326 4.164 -0.387 58 HZ PHE 7 HZ PHE 7 -7.968 4.044 -2.744 59 H GLU 8 H GLU 8 -9.762 -0.813 1.780 60 HA GLU 8 HA GLU 8 -10.916 1.752 1.698 61 1HB GLU 8 2HB GLU 8 -12.765 0.460 1.906 62 2HB GLU 8 1HB GLU 8 -11.763 -0.910 2.365 63 1HG GLU 8 2HG GLU 8 -13.409 -0.500 4.110 64 2HG GLU 8 1HG GLU 8 -11.808 -0.101 4.734 65 H LYS 9 H LYS 9 -9.518 -0.020 4.415 66 HA LYS 9 HA LYS 9 -10.142 1.946 6.402 67 1HB LYS 9 2HB LYS 9 -9.596 -0.111 7.342 68 2HB LYS 9 1HB LYS 9 -8.275 -0.391 6.217 69 1HG LYS 9 2HG LYS 9 -7.415 0.051 8.478 70 2HG LYS 9 1HG LYS 9 -6.923 1.329 7.371 71 1HD LYS 9 2HD LYS 9 -7.690 2.608 9.136 72 2HD LYS 9 1HD LYS 9 -9.183 2.463 8.228 73 1HE LYS 9 2HE LYS 9 -9.738 1.919 10.488 74 2HE LYS 9 1HE LYS 9 -9.683 0.384 9.621 75 1HZ LYS 9 1HZ LYS 9 -7.414 0.071 10.405 76 2HZ LYS 9 2HZ LYS 9 -8.491 0.241 11.708 77 3HZ LYS 9 3HZ LYS 9 -7.488 1.535 11.256 78 H PHE 10 H PHE 10 -7.358 1.537 4.204 79 HA PHE 10 HA PHE 10 -5.996 3.857 5.416 80 1HB PHE 10 2HB PHE 10 -5.177 2.361 2.937 81 2HB PHE 10 1HB PHE 10 -4.178 3.345 3.997 82 HD1 PHE 10 1HD PHE 10 -4.459 0.106 3.161 83 HD2 PHE 10 2HD PHE 10 -4.863 2.548 6.674 84 HE1 PHE 10 1HE PHE 10 -3.925 -1.849 4.597 85 HE2 PHE 10 2HE PHE 10 -4.344 0.592 8.096 86 HZ PHE 10 HZ PHE 10 -3.876 -1.608 7.058 87 H ASP 11 H ASP 11 -8.195 3.269 2.768 88 HA ASP 11 HA ASP 11 -7.479 5.331 1.024 89 1HB ASP 11 2HB ASP 11 -9.821 5.445 0.374 90 2HB ASP 11 1HB ASP 11 -9.438 3.759 0.726 91 H LYS 12 H LYS 12 -6.462 6.746 2.481 92 HA LYS 12 HA LYS 12 -8.051 8.382 4.318 93 1HB LYS 12 2HB LYS 12 -5.963 8.433 5.193 94 2HB LYS 12 1HB LYS 12 -5.278 7.803 3.694 95 1HG LYS 12 2HG LYS 12 -5.202 10.039 2.736 96 2HG LYS 12 1HG LYS 12 -6.003 10.702 4.163 97 1HD LYS 12 2HD LYS 12 -4.103 10.631 5.419 98 2HD LYS 12 1HD LYS 12 -3.644 9.060 4.758 99 1HE LYS 12 2HE LYS 12 -2.108 11.032 4.171 100 2HE LYS 12 1HE LYS 12 -2.666 10.048 2.819 101 1HZ LYS 12 1HZ LYS 12 -2.913 12.381 2.320 102 2HZ LYS 12 2HZ LYS 12 -3.849 12.618 3.718 103 3HZ LYS 12 3HZ LYS 12 -4.442 11.660 2.447 104 H ASN 13 H ASN 13 -7.462 8.245 1.037 105 HA ASN 13 HA ASN 13 -8.175 11.127 0.660 106 1HB ASN 13 2HB ASN 13 -7.176 10.558 -1.745 107 2HB ASN 13 1HB ASN 13 -6.116 11.045 -0.419 108 1HD2 ASN 13 1HD2 ASN 13 -5.991 8.966 -2.848 109 2HD2 ASN 13 2HD2 ASN 13 -5.280 7.613 -2.109 110 H LYS 14 H LYS 14 -9.598 8.383 0.922 111 HA LYS 14 HA LYS 14 -11.238 7.102 -0.354 112 1HB LYS 14 2HB LYS 14 -12.470 9.853 -0.544 113 2HB LYS 14 1HB LYS 14 -13.264 8.308 -0.236 114 1HG LYS 14 2HG LYS 14 -11.891 8.200 1.924 115 2HG LYS 14 1HG LYS 14 -11.514 9.901 1.641 116 1HD LYS 14 2HD LYS 14 -13.861 10.495 1.693 117 2HD LYS 14 1HD LYS 14 -14.334 8.798 1.769 118 1HE LYS 14 2HE LYS 14 -12.937 8.685 3.932 119 2HE LYS 14 1HE LYS 14 -12.957 10.449 3.888 120 1HZ LYS 14 1HZ LYS 14 -14.780 9.436 5.207 121 2HZ LYS 14 2HZ LYS 14 -15.398 8.767 3.772 122 3HZ LYS 14 3HZ LYS 14 -15.318 10.453 3.962 123 H ASP 15 H ASP 15 -9.275 7.539 -2.005 124 HA ASP 15 HA ASP 15 -10.413 8.754 -4.485 125 1HB ASP 15 2HB ASP 15 -7.594 8.329 -3.522 126 2HB ASP 15 1HB ASP 15 -7.925 8.549 -5.243 127 H GLY 16 H GLY 16 -9.074 5.669 -3.180 128 1HA GLY 16 2HA GLY 16 -9.685 3.595 -4.224 129 2HA GLY 16 1HA GLY 16 -9.914 4.462 -5.753 130 H LYS 17 H LYS 17 -7.386 5.590 -3.898 131 HA LYS 17 HA LYS 17 -5.337 3.796 -4.903 132 1HB LYS 17 2HB LYS 17 -5.235 6.700 -5.663 133 2HB LYS 17 1HB LYS 17 -4.043 5.451 -5.981 134 1HG LYS 17 2HG LYS 17 -5.111 5.385 -8.018 135 2HG LYS 17 1HG LYS 17 -6.158 4.272 -7.147 136 1HD LYS 17 2HD LYS 17 -7.673 5.789 -8.131 137 2HD LYS 17 1HD LYS 17 -7.503 6.397 -6.481 138 1HE LYS 17 2HE LYS 17 -7.144 8.364 -7.645 139 2HE LYS 17 1HE LYS 17 -5.486 7.761 -7.581 140 1HZ LYS 17 1HZ LYS 17 -5.720 8.180 -9.801 141 2HZ LYS 17 2HZ LYS 17 -7.375 7.793 -9.828 142 3HZ LYS 17 3HZ LYS 17 -6.212 6.557 -9.759 143 H LEU 18 H LEU 18 -3.482 3.983 -3.846 144 HA LEU 18 HA LEU 18 -3.416 5.772 -1.470 145 1HB LEU 18 2HB LEU 18 -2.908 2.961 -1.794 146 2HB LEU 18 1HB LEU 18 -1.663 3.816 -0.966 147 HG LEU 18 HG LEU 18 -3.329 4.830 0.497 148 1HD1 LEU 18 1HD1 LEU 18 -5.544 4.089 0.590 149 2HD1 LEU 18 2HD1 LEU 18 -5.219 2.792 -0.552 150 3HD1 LEU 18 3HD1 LEU 18 -5.240 4.470 -1.105 151 1HD2 LEU 18 1HD2 LEU 18 -3.788 1.956 0.804 152 2HD2 LEU 18 2HD2 LEU 18 -3.035 3.098 1.910 153 3HD2 LEU 18 3HD2 LEU 18 -2.102 2.416 0.583 154 H SER 19 H SER 19 -1.382 6.456 -0.809 155 HA SER 19 HA SER 19 0.554 6.754 -3.045 156 1HB SER 19 2HB SER 19 0.498 8.303 -0.483 157 2HB SER 19 1HB SER 19 1.273 8.755 -2.002 158 HG SER 19 HG SER 19 -0.791 9.001 -2.902 159 H LEU 20 H LEU 20 2.816 6.441 -2.460 160 HA LEU 20 HA LEU 20 3.342 4.192 -0.881 161 1HB LEU 20 2HB LEU 20 4.880 5.413 -2.526 162 2HB LEU 20 1HB LEU 20 5.193 6.561 -1.235 163 HG LEU 20 HG LEU 20 6.715 4.427 -1.657 164 1HD1 LEU 20 1HD1 LEU 20 7.223 4.535 0.843 165 2HD1 LEU 20 2HD1 LEU 20 5.933 5.735 0.913 166 3HD1 LEU 20 3HD1 LEU 20 7.354 6.027 -0.086 167 1HD2 LEU 20 1HD2 LEU 20 5.015 3.381 0.573 168 2HD2 LEU 20 2HD2 LEU 20 6.146 2.516 -0.463 169 3HD2 LEU 20 3HD2 LEU 20 4.591 3.004 -1.078 170 H ASP 21 H ASP 21 2.708 7.378 -0.193 171 HA ASP 21 HA ASP 21 3.697 7.570 2.498 172 1HB ASP 21 2HB ASP 21 1.241 9.039 1.548 173 2HB ASP 21 1HB ASP 21 2.502 9.590 2.650 174 H GLU 22 H GLU 22 0.419 6.628 1.154 175 HA GLU 22 HA GLU 22 -0.576 6.131 3.800 176 1HB GLU 22 2HB GLU 22 -1.906 6.617 1.623 177 2HB GLU 22 1HB GLU 22 -1.720 4.885 1.358 178 1HG GLU 22 2HG GLU 22 -3.795 5.194 2.569 179 2HG GLU 22 1HG GLU 22 -2.610 4.533 3.698 180 H PHE 23 H PHE 23 0.777 4.098 1.252 181 HA PHE 23 HA PHE 23 0.336 1.610 2.585 182 1HB PHE 23 2HB PHE 23 0.682 1.679 0.195 183 2HB PHE 23 1HB PHE 23 2.243 2.411 0.448 184 HD1 PHE 23 1HD PHE 23 4.024 0.974 0.059 185 HD2 PHE 23 2HD PHE 23 0.440 -0.550 1.848 186 HE1 PHE 23 1HE PHE 23 5.064 -1.273 0.226 187 HE2 PHE 23 2HE PHE 23 1.474 -2.795 2.023 188 HZ PHE 23 HZ PHE 23 3.788 -3.158 1.210 189 H ARG 24 H ARG 24 2.640 4.209 2.826 190 HA ARG 24 HA ARG 24 4.734 2.681 4.189 191 1HB ARG 24 2HB ARG 24 5.400 4.618 2.904 192 2HB ARG 24 1HB ARG 24 4.221 5.634 3.731 193 1HG ARG 24 2HG ARG 24 6.320 6.122 4.705 194 2HG ARG 24 1HG ARG 24 5.492 5.119 5.875 195 1HD ARG 24 2HD ARG 24 6.692 3.148 5.069 196 2HD ARG 24 1HD ARG 24 7.497 4.115 3.844 197 HE ARG 24 HE ARG 24 8.467 3.743 6.448 198 1HH1 ARG 24 1HH2 ARG 24 7.664 6.423 4.406 199 2HH1 ARG 24 2HH2 ARG 24 8.611 7.548 5.315 200 1HH2 ARG 24 1HH1 ARG 24 9.706 5.202 7.608 201 2HH2 ARG 24 2HH1 ARG 24 9.767 6.862 7.114 202 H GLU 25 H GLU 25 1.958 4.592 4.921 203 HA GLU 25 HA GLU 25 2.439 4.665 7.837 204 1HB GLU 25 2HB GLU 25 0.072 5.364 6.075 205 2HB GLU 25 1HB GLU 25 -0.096 5.279 7.829 206 1HG GLU 25 2HG GLU 25 1.951 6.994 6.390 207 2HG GLU 25 1HG GLU 25 0.410 7.590 7.006 208 H VAL 26 H VAL 26 0.717 2.902 5.425 209 HA VAL 26 HA VAL 26 -0.723 0.978 6.967 210 HB VAL 26 HB VAL 26 0.293 1.419 4.230 211 1HG1 VAL 26 1HG1 VAL 26 -0.773 -0.863 3.587 212 2HG1 VAL 26 2HG1 VAL 26 -0.357 -1.296 5.243 213 3HG1 VAL 26 3HG1 VAL 26 0.908 -0.793 4.119 214 1HG2 VAL 26 1HG2 VAL 26 -2.342 0.795 5.415 215 2HG2 VAL 26 2HG2 VAL 26 -2.073 0.782 3.671 216 3HG2 VAL 26 3HG2 VAL 26 -1.831 2.265 4.595 217 H ALA 27 H ALA 27 2.425 1.092 5.458 218 HA ALA 27 HA ALA 27 3.172 -1.584 6.156 219 1HB ALA 27 1HB ALA 27 5.385 -0.955 5.269 220 2HB ALA 27 2HB ALA 27 4.889 0.735 5.243 221 3HB ALA 27 3HB ALA 27 4.103 -0.431 4.179 222 H LEU 28 H LEU 28 3.487 1.545 7.524 223 HA LEU 28 HA LEU 28 5.419 0.740 9.594 224 1HB LEU 28 2HB LEU 28 3.941 3.249 8.894 225 2HB LEU 28 1HB LEU 28 4.610 3.089 10.515 226 HG LEU 28 HG LEU 28 6.801 3.147 9.781 227 1HD1 LEU 28 1HD1 LEU 28 7.320 2.681 7.254 228 2HD1 LEU 28 2HD1 LEU 28 5.759 1.876 7.259 229 3HD1 LEU 28 3HD1 LEU 28 7.039 1.322 8.334 230 1HD2 LEU 28 1HD2 LEU 28 6.147 5.292 9.172 231 2HD2 LEU 28 2HD2 LEU 28 5.074 4.725 7.899 232 3HD2 LEU 28 3HD2 LEU 28 6.818 4.705 7.656 233 H ALA 29 H ALA 29 1.911 1.116 9.265 234 HA ALA 29 HA ALA 29 1.388 1.006 12.097 235 1HB ALA 29 1HB ALA 29 -0.936 0.855 11.344 236 2HB ALA 29 2HB ALA 29 -0.397 0.513 9.701 237 3HB ALA 29 3HB ALA 29 -0.081 2.091 10.423 238 H PHE 30 H PHE 30 0.608 -1.324 9.474 239 HA PHE 30 HA PHE 30 0.108 -3.420 11.450 240 1HB PHE 30 2HB PHE 30 -1.134 -3.093 9.237 241 2HB PHE 30 1HB PHE 30 0.293 -3.787 8.457 242 HD1 PHE 30 1HD PHE 30 -2.716 -4.473 10.354 243 HD2 PHE 30 2HD PHE 30 1.074 -6.096 9.148 244 HE1 PHE 30 1HE PHE 30 -3.513 -6.753 10.917 245 HE2 PHE 30 2HE PHE 30 0.276 -8.375 9.713 246 HZ PHE 30 HZ PHE 30 -2.017 -8.704 10.597 247 H SER 31 H SER 31 2.536 -2.931 8.870 248 HA SER 31 HA SER 31 4.163 -5.103 10.146 249 1HB SER 31 2HB SER 31 3.899 -5.849 7.973 250 2HB SER 31 1HB SER 31 3.752 -4.220 7.323 251 HG SER 31 HG SER 31 5.759 -5.203 6.797 252 HA PRO 32 HA PRO 32 6.083 -0.857 10.946 253 1HB PRO 32 2HB PRO 32 7.203 -1.890 13.344 254 2HB PRO 32 1HB PRO 32 5.810 -0.799 13.199 255 1HG PRO 32 2HG PRO 32 5.885 -3.722 13.619 256 2HG PRO 32 1HG PRO 32 4.665 -2.533 14.112 257 1HD PRO 32 2HD PRO 32 4.255 -4.272 12.071 258 2HD PRO 32 1HD PRO 32 3.540 -2.646 12.083 259 H TYR 33 H TYR 33 7.253 -4.154 10.766 260 HA TYR 33 HA TYR 33 10.061 -3.367 10.823 261 1HB TYR 33 2HB TYR 33 9.005 -5.999 9.804 262 2HB TYR 33 1HB TYR 33 10.533 -5.664 10.627 263 HD1 TYR 33 1HD TYR 33 10.488 -4.969 13.068 264 HD2 TYR 33 2HD TYR 33 7.043 -6.533 11.034 265 HE1 TYR 33 1HE TYR 33 9.424 -5.465 15.252 266 HE2 TYR 33 2HE TYR 33 5.979 -7.031 13.218 267 HH TYR 33 HH TYR 33 7.326 -7.431 15.868 268 H PHE 34 H PHE 34 7.703 -2.976 8.466 269 HA PHE 34 HA PHE 34 9.178 -3.871 6.146 270 1HB PHE 34 2HB PHE 34 6.712 -2.348 6.580 271 2HB PHE 34 1HB PHE 34 7.701 -1.586 5.367 272 HD1 PHE 34 1HD PHE 34 8.993 -3.678 3.906 273 HD2 PHE 34 2HD PHE 34 5.034 -3.616 5.568 274 HE1 PHE 34 1HE PHE 34 8.267 -5.366 2.245 275 HE2 PHE 34 2HE PHE 34 4.309 -5.305 3.905 276 HZ PHE 34 HZ PHE 34 5.927 -6.180 2.241 277 H THR 35 H THR 35 10.991 -3.102 5.383 278 HA THR 35 HA THR 35 12.046 -0.631 6.497 279 HB THR 35 HB THR 35 13.669 -1.440 4.334 280 HG1 THR 35 1HG THR 35 12.901 -3.427 4.133 281 1HG2 THR 35 1HG2 THR 35 13.759 -1.992 7.298 282 2HG2 THR 35 2HG2 THR 35 14.374 -0.553 6.483 283 3HG2 THR 35 3HG2 THR 35 15.136 -2.120 6.203 284 H GLN 36 H GLN 36 12.291 1.262 5.474 285 HA GLN 36 HA GLN 36 10.375 2.121 3.671 286 1HB GLN 36 2HB GLN 36 11.898 3.502 5.101 287 2HB GLN 36 1HB GLN 36 13.176 3.207 3.923 288 1HG GLN 36 2HG GLN 36 11.910 5.379 3.604 289 2HG GLN 36 1HG GLN 36 12.002 4.349 2.191 290 1HE2 GLN 36 1HE2 GLN 36 9.977 2.839 1.939 291 2HE2 GLN 36 2HE2 GLN 36 8.477 3.523 2.348 292 H GLU 37 H GLU 37 13.419 0.572 3.030 293 HA GLU 37 HA GLU 37 13.478 1.244 0.181 294 1HB GLU 37 2HB GLU 37 15.510 0.591 1.557 295 2HB GLU 37 1HB GLU 37 14.898 -1.064 1.557 296 1HG GLU 37 2HG GLU 37 16.433 -0.930 -0.273 297 2HG GLU 37 1HG GLU 37 14.821 -0.895 -0.988 298 H ASP 38 H ASP 38 12.324 -1.527 2.106 299 HA ASP 38 HA ASP 38 11.631 -3.098 -0.242 300 1HB ASP 38 2HB ASP 38 10.895 -3.267 2.685 301 2HB ASP 38 1HB ASP 38 10.219 -4.374 1.485 302 H ILE 39 H ILE 39 9.987 -0.788 1.845 303 HA ILE 39 HA ILE 39 7.333 -1.185 0.780 304 HB ILE 39 HB ILE 39 8.494 1.341 1.994 305 1HG1 ILE 39 2HG1 ILE 39 7.021 -0.780 3.536 306 2HG1 ILE 39 1HG1 ILE 39 8.764 -0.909 3.301 307 1HG2 ILE 39 1HG2 ILE 39 6.376 2.124 1.990 308 2HG2 ILE 39 2HG2 ILE 39 5.758 0.632 2.697 309 3HG2 ILE 39 3HG2 ILE 39 5.955 0.764 0.952 310 1HD1 ILE 39 1HD1 ILE 39 8.164 1.791 4.092 311 2HD1 ILE 39 2HD1 ILE 39 9.100 0.584 4.968 312 3HD1 ILE 39 3HD1 ILE 39 7.358 0.695 5.211 313 H VAL 40 H VAL 40 9.894 1.160 0.131 314 HA VAL 40 HA VAL 40 8.451 2.464 -2.021 315 HB VAL 40 HB VAL 40 10.545 3.661 -2.349 316 1HG1 VAL 40 1HG1 VAL 40 9.569 4.825 -0.678 317 2HG1 VAL 40 2HG1 VAL 40 10.708 4.012 0.390 318 3HG1 VAL 40 3HG1 VAL 40 9.093 3.351 0.159 319 1HG2 VAL 40 1HG2 VAL 40 11.554 1.391 -0.759 320 2HG2 VAL 40 2HG2 VAL 40 12.288 2.970 -0.467 321 3HG2 VAL 40 3HG2 VAL 40 12.320 2.262 -2.082 322 H LYS 41 H LYS 41 11.059 -0.002 -1.893 323 HA LYS 41 HA LYS 41 11.495 -0.020 -4.720 324 1HB LYS 41 2HB LYS 41 12.887 -1.288 -3.022 325 2HB LYS 41 1HB LYS 41 11.538 -2.416 -2.838 326 1HG LYS 41 2HG LYS 41 11.740 -3.197 -5.062 327 2HG LYS 41 1HG LYS 41 12.726 -1.819 -5.550 328 1HD LYS 41 2HD LYS 41 14.609 -2.603 -4.292 329 2HD LYS 41 1HD LYS 41 13.634 -3.825 -3.475 330 1HE LYS 41 2HE LYS 41 13.857 -3.851 -6.476 331 2HE LYS 41 1HE LYS 41 15.147 -4.542 -5.491 332 1HZ LYS 41 1HZ LYS 41 12.299 -5.265 -5.126 333 2HZ LYS 41 2HZ LYS 41 13.669 -6.065 -4.519 334 3HZ LYS 41 3HZ LYS 41 13.324 -6.106 -6.182 335 H PHE 42 H PHE 42 9.483 -2.091 -2.650 336 HA PHE 42 HA PHE 42 8.007 -3.332 -4.689 337 1HB PHE 42 2HB PHE 42 8.127 -4.056 -2.322 338 2HB PHE 42 1HB PHE 42 7.136 -2.669 -1.861 339 HD1 PHE 42 1HD PHE 42 7.052 -5.285 -4.569 340 HD2 PHE 42 2HD PHE 42 4.913 -3.201 -1.480 341 HE1 PHE 42 1HE PHE 42 5.013 -6.575 -5.116 342 HE2 PHE 42 2HE PHE 42 2.879 -4.496 -2.020 343 HZ PHE 42 HZ PHE 42 2.931 -6.188 -3.841 344 H PHE 43 H PHE 43 7.053 -0.436 -2.717 345 HA PHE 43 HA PHE 43 4.558 -0.039 -4.065 346 1HB PHE 43 2HB PHE 43 5.076 1.131 -2.022 347 2HB PHE 43 1HB PHE 43 6.482 1.894 -2.761 348 HD1 PHE 43 1HD PHE 43 2.985 2.173 -2.112 349 HD2 PHE 43 2HD PHE 43 6.067 3.440 -4.806 350 HE1 PHE 43 1HE PHE 43 1.608 4.107 -2.787 351 HE2 PHE 43 2HE PHE 43 4.666 5.343 -5.490 352 HZ PHE 43 HZ PHE 43 2.443 5.682 -4.493 353 H GLU 44 H GLU 44 7.742 1.326 -4.610 354 HA GLU 44 HA GLU 44 7.143 2.855 -6.960 355 1HB GLU 44 2HB GLU 44 9.698 1.373 -6.238 356 2HB GLU 44 1HB GLU 44 9.560 2.517 -7.568 357 1HG GLU 44 2HG GLU 44 8.671 3.387 -4.836 358 2HG GLU 44 1HG GLU 44 10.400 3.337 -5.193 359 H GLU 45 H GLU 45 7.807 -0.552 -6.433 360 HA GLU 45 HA GLU 45 7.823 -1.313 -9.230 361 1HB GLU 45 2HB GLU 45 8.751 -2.498 -7.016 362 2HB GLU 45 1HB GLU 45 7.159 -3.261 -7.064 363 1HG GLU 45 2HG GLU 45 9.179 -3.206 -9.317 364 2HG GLU 45 1HG GLU 45 8.825 -4.600 -8.298 365 H ILE 46 H ILE 46 5.398 -1.319 -6.625 366 HA ILE 46 HA ILE 46 3.467 -2.665 -8.385 367 HB ILE 46 HB ILE 46 3.809 -2.684 -5.669 368 1HG1 ILE 46 2HG1 ILE 46 1.445 -3.692 -5.679 369 2HG1 ILE 46 1HG1 ILE 46 1.405 -3.278 -7.394 370 1HG2 ILE 46 1HG2 ILE 46 2.034 -1.533 -4.602 371 2HG2 ILE 46 2HG2 ILE 46 1.335 -1.050 -6.146 372 3HG2 ILE 46 3HG2 ILE 46 2.863 -0.348 -5.610 373 1HD1 ILE 46 1HD1 ILE 46 2.405 -5.272 -7.759 374 2HD1 ILE 46 2HD1 ILE 46 2.787 -5.475 -6.052 375 3HD1 ILE 46 3HD1 ILE 46 3.868 -4.549 -7.090 376 H ASP 47 H ASP 47 4.017 0.621 -7.126 377 HA ASP 47 HA ASP 47 1.514 1.655 -8.176 378 1HB ASP 47 2HB ASP 47 2.804 2.923 -6.485 379 2HB ASP 47 1HB ASP 47 4.157 3.062 -7.611 380 H VAL 48 H VAL 48 1.656 0.415 -10.277 381 HA VAL 48 HA VAL 48 3.773 0.906 -12.148 382 HB VAL 48 HB VAL 48 2.379 -1.100 -12.134 383 1HG1 VAL 48 1HG1 VAL 48 0.031 0.398 -13.205 384 2HG1 VAL 48 2HG1 VAL 48 0.311 0.473 -11.468 385 3HG1 VAL 48 3HG1 VAL 48 0.073 -1.086 -12.256 386 1HG2 VAL 48 1HG2 VAL 48 2.044 -1.254 -14.482 387 2HG2 VAL 48 2HG2 VAL 48 3.294 -0.020 -14.317 388 3HG2 VAL 48 3HG2 VAL 48 1.620 0.453 -14.610 389 H ASP 49 H ASP 49 0.755 2.505 -11.501 390 HA ASP 49 HA ASP 49 0.551 3.639 -14.158 391 1HB ASP 49 2HB ASP 49 -1.549 3.853 -13.421 392 2HB ASP 49 1HB ASP 49 -1.044 3.491 -11.773 393 H GLY 50 H GLY 50 2.395 4.348 -11.396 394 1HA GLY 50 2HA GLY 50 3.977 5.941 -11.080 395 2HA GLY 50 1HA GLY 50 3.715 6.497 -12.729 396 H ASN 51 H ASN 51 0.827 6.503 -10.902 397 HA ASN 51 HA ASN 51 0.791 9.421 -10.911 398 1HB ASN 51 2HB ASN 51 -1.292 8.079 -11.249 399 2HB ASN 51 1HB ASN 51 -1.135 7.469 -9.596 400 1HD2 ASN 51 1HD2 ASN 51 -3.098 8.527 -8.853 401 2HD2 ASN 51 2HD2 ASN 51 -3.192 10.214 -8.686 402 H GLY 52 H GLY 52 2.381 7.252 -9.153 403 1HA GLY 52 2HA GLY 52 3.606 7.520 -7.158 404 2HA GLY 52 1HA GLY 52 2.818 9.084 -6.946 405 H GLU 53 H GLU 53 0.786 6.348 -7.545 406 HA GLU 53 HA GLU 53 0.270 5.950 -4.652 407 1HB GLU 53 2HB GLU 53 -2.152 6.356 -6.322 408 2HB GLU 53 1HB GLU 53 -1.879 6.823 -4.648 409 1HG GLU 53 2HG GLU 53 -0.409 8.670 -5.431 410 2HG GLU 53 1HG GLU 53 -0.778 8.225 -7.099 411 H LEU 54 H LEU 54 -1.017 4.082 -4.159 412 HA LEU 54 HA LEU 54 -0.575 1.902 -6.051 413 1HB LEU 54 2HB LEU 54 -2.077 2.091 -3.430 414 2HB LEU 54 1HB LEU 54 -1.809 0.637 -4.288 415 HG LEU 54 HG LEU 54 -0.031 0.436 -2.941 416 1HD1 LEU 54 1HD1 LEU 54 1.277 2.534 -4.666 417 2HD1 LEU 54 2HD1 LEU 54 0.952 0.906 -5.237 418 3HD1 LEU 54 3HD1 LEU 54 2.033 1.149 -3.880 419 1HD2 LEU 54 1HD2 LEU 54 -0.696 2.193 -1.552 420 2HD2 LEU 54 2HD2 LEU 54 -0.213 3.404 -2.734 421 3HD2 LEU 54 3HD2 LEU 54 1.004 2.448 -1.893 422 H ASN 55 H ASN 55 -2.078 1.140 -7.459 423 HA ASN 55 HA ASN 55 -4.713 2.500 -7.507 424 1HB ASN 55 2HB ASN 55 -4.673 0.693 -9.624 425 2HB ASN 55 1HB ASN 55 -4.310 2.411 -9.729 426 1HD2 ASN 55 1HD2 ASN 55 -3.083 -0.397 -10.772 427 2HD2 ASN 55 2HD2 ASN 55 -1.421 -0.082 -10.667 428 H ALA 56 H ALA 56 -6.501 0.846 -8.348 429 HA ALA 56 HA ALA 56 -7.080 -0.870 -6.144 430 1HB ALA 56 1HB ALA 56 -8.742 0.240 -7.617 431 2HB ALA 56 2HB ALA 56 -9.049 -1.481 -7.387 432 3HB ALA 56 3HB ALA 56 -8.327 -0.907 -8.889 433 H ASP 57 H ASP 57 -6.387 -1.948 -9.556 434 HA ASP 57 HA ASP 57 -6.176 -4.677 -8.841 435 1HB ASP 57 2HB ASP 57 -6.290 -3.701 -11.182 436 2HB ASP 57 1HB ASP 57 -4.574 -3.325 -11.024 437 H GLU 58 H GLU 58 -3.649 -2.173 -8.990 438 HA GLU 58 HA GLU 58 -1.519 -3.974 -8.255 439 1HB GLU 58 2HB GLU 58 -1.778 -0.960 -8.219 440 2HB GLU 58 1HB GLU 58 -0.338 -1.768 -7.613 441 1HG GLU 58 2HG GLU 58 -1.478 -2.101 -10.403 442 2HG GLU 58 1HG GLU 58 -0.104 -1.086 -9.980 443 H PHE 59 H PHE 59 -3.880 -2.089 -6.528 444 HA PHE 59 HA PHE 59 -2.801 -2.014 -3.921 445 1HB PHE 59 2HB PHE 59 -5.491 -2.056 -5.147 446 2HB PHE 59 1HB PHE 59 -5.444 -2.651 -3.513 447 HD1 PHE 59 1HD PHE 59 -6.222 0.094 -5.225 448 HD2 PHE 59 2HD PHE 59 -3.595 -1.079 -2.068 449 HE1 PHE 59 1HE PHE 59 -6.193 2.385 -4.440 450 HE2 PHE 59 2HE PHE 59 -3.575 1.250 -1.257 451 HZ PHE 59 HZ PHE 59 -4.876 2.980 -2.475 452 H THR 60 H THR 60 -4.684 -4.582 -5.572 453 HA THR 60 HA THR 60 -4.641 -6.382 -3.321 454 HB THR 60 HB THR 60 -5.437 -8.047 -4.905 455 HG1 THR 60 1HG THR 60 -4.233 -6.282 -6.688 456 1HG2 THR 60 1HG2 THR 60 -7.399 -6.893 -5.680 457 2HG2 THR 60 2HG2 THR 60 -6.550 -5.347 -5.690 458 3HG2 THR 60 3HG2 THR 60 -6.917 -6.141 -4.158 459 H SER 61 H SER 61 -2.736 -6.254 -6.338 460 HA SER 61 HA SER 61 -0.972 -8.385 -5.624 461 1HB SER 61 2HB SER 61 -1.225 -7.082 -7.882 462 2HB SER 61 1HB SER 61 -0.054 -5.965 -7.178 463 HG SER 61 HG SER 61 0.239 -8.769 -7.567 464 H CYS 62 H CYS 62 -1.324 -5.139 -4.448 465 HA CYS 62 HA CYS 62 1.385 -4.789 -3.497 466 1HB CYS 62 2HB CYS 62 -0.518 -3.003 -3.771 467 2HB CYS 62 1HB CYS 62 -1.023 -3.559 -2.178 468 HG CYS 62 HG CYS 62 1.576 -2.007 -2.798 469 H ILE 63 H ILE 63 -1.636 -6.101 -2.306 470 HA ILE 63 HA ILE 63 -0.453 -6.778 0.285 471 HB ILE 63 HB ILE 63 -3.085 -7.757 -0.828 472 1HG1 ILE 63 2HG1 ILE 63 -3.212 -5.392 -1.062 473 2HG1 ILE 63 1HG1 ILE 63 -3.971 -5.728 0.487 474 1HG2 ILE 63 1HG2 ILE 63 -1.953 -8.652 1.348 475 2HG2 ILE 63 2HG2 ILE 63 -3.647 -8.169 1.421 476 3HG2 ILE 63 3HG2 ILE 63 -2.395 -7.087 2.030 477 1HD1 ILE 63 1HD1 ILE 63 -1.643 -5.355 1.516 478 2HD1 ILE 63 2HD1 ILE 63 -2.499 -3.929 0.932 479 3HD1 ILE 63 3HD1 ILE 63 -1.209 -4.636 -0.036 480 H GLU 64 H GLU 64 -1.230 -8.558 -2.809 481 HA GLU 64 HA GLU 64 -0.874 -11.121 -1.867 482 1HB GLU 64 2HB GLU 64 0.158 -9.870 -4.431 483 2HB GLU 64 1HB GLU 64 0.098 -11.605 -4.123 484 1HG GLU 64 2HG GLU 64 -2.320 -11.536 -3.880 485 2HG GLU 64 1HG GLU 64 -2.318 -9.777 -4.024 486 H LYS 65 H LYS 65 1.521 -8.496 -2.135 487 HA LYS 65 HA LYS 65 3.867 -10.092 -2.108 488 1HB LYS 65 2HB LYS 65 3.690 -7.526 -2.016 489 2HB LYS 65 1HB LYS 65 3.493 -7.712 -0.274 490 1HG LYS 65 2HG LYS 65 5.679 -8.315 0.044 491 2HG LYS 65 1HG LYS 65 5.725 -9.249 -1.449 492 1HD LYS 65 2HD LYS 65 6.255 -7.398 -2.761 493 2HD LYS 65 1HD LYS 65 5.580 -6.261 -1.596 494 1HE LYS 65 2HE LYS 65 8.065 -7.917 -1.085 495 2HE LYS 65 1HE LYS 65 8.102 -6.255 -1.679 496 1HZ LYS 65 1HZ LYS 65 8.192 -5.837 0.524 497 2HZ LYS 65 2HZ LYS 65 7.401 -7.277 0.961 498 3HZ LYS 65 3HZ LYS 65 6.505 -5.950 0.394 499 H MET 66 H MET 66 1.268 -10.085 -0.013 500 HA MET 66 HA MET 66 2.395 -12.086 1.722 501 1HB MET 66 2HB MET 66 1.307 -10.364 3.639 502 2HB MET 66 1HB MET 66 3.027 -10.650 3.390 503 1HG MET 66 2HG MET 66 3.241 -8.739 1.971 504 2HG MET 66 1HG MET 66 1.492 -8.565 1.825 505 1HE MET 66 1HE MET 66 4.610 -8.347 3.816 506 2HE MET 66 2HE MET 66 3.790 -9.239 5.094 507 3HE MET 66 3HE MET 66 4.217 -7.549 5.346 508 H LEU 67 H LEU 67 0.305 -12.182 3.531 509 HA LEU 67 HA LEU 67 -1.887 -12.976 3.619 510 1HB LEU 67 2HB LEU 67 -2.006 -10.348 3.270 511 2HB LEU 67 1HB LEU 67 -2.664 -10.802 1.700 512 HG LEU 67 HG LEU 67 -4.512 -10.518 3.239 513 1HD1 LEU 67 1HD1 LEU 67 -4.466 -12.483 1.609 514 2HD1 LEU 67 2HD1 LEU 67 -5.597 -12.623 2.955 515 3HD1 LEU 67 3HD1 LEU 67 -4.067 -13.499 2.994 516 1HD2 LEU 67 1HD2 LEU 67 -2.807 -11.225 5.226 517 2HD2 LEU 67 2HD2 LEU 67 -3.669 -12.750 5.026 518 3HD2 LEU 67 3HD2 LEU 67 -4.560 -11.279 5.405 Start of MODEL 11 1 HA SER 1 HA SER 1 -8.366 -11.857 0.709 2 1HB SER 1 2HB SER 1 -6.249 -11.104 -0.034 3 2HB SER 1 1HB SER 1 -7.018 -11.719 -1.495 4 HG SER 1 HG SER 1 -6.758 -9.033 -0.625 5 H SER 2 H SER 2 -7.620 -10.343 2.336 6 HA SER 2 HA SER 2 -9.397 -8.072 2.675 7 1HB SER 2 2HB SER 2 -6.981 -8.144 4.368 8 2HB SER 2 1HB SER 2 -8.679 -8.101 4.831 9 HG SER 2 HG SER 2 -7.021 -10.186 4.759 10 H ALA 3 H ALA 3 -7.523 -8.011 0.322 11 HA ALA 3 HA ALA 3 -5.552 -5.977 1.000 12 1HB ALA 3 1HB ALA 3 -5.162 -5.881 -1.424 13 2HB ALA 3 2HB ALA 3 -6.549 -6.937 -1.688 14 3HB ALA 3 3HB ALA 3 -5.129 -7.542 -0.833 15 H LYS 4 H LYS 4 -8.771 -6.039 -0.446 16 HA LYS 4 HA LYS 4 -8.700 -3.167 -1.028 17 1HB LYS 4 2HB LYS 4 -10.096 -4.429 -2.484 18 2HB LYS 4 1HB LYS 4 -10.850 -5.291 -1.150 19 1HG LYS 4 2HG LYS 4 -12.286 -3.561 -0.659 20 2HG LYS 4 1HG LYS 4 -11.119 -2.321 -1.107 21 1HD LYS 4 2HD LYS 4 -12.598 -4.086 -3.085 22 2HD LYS 4 1HD LYS 4 -13.068 -2.438 -2.672 23 1HE LYS 4 2HE LYS 4 -10.856 -3.391 -4.396 24 2HE LYS 4 1HE LYS 4 -11.745 -1.870 -4.447 25 1HZ LYS 4 1HZ LYS 4 -10.479 -1.125 -2.514 26 2HZ LYS 4 2HZ LYS 4 -9.460 -1.494 -3.824 27 3HZ LYS 4 3HZ LYS 4 -9.599 -2.575 -2.520 28 H ARG 5 H ARG 5 -9.897 -5.342 1.459 29 HA ARG 5 HA ARG 5 -11.415 -3.479 2.999 30 1HB ARG 5 2HB ARG 5 -11.188 -6.042 3.271 31 2HB ARG 5 1HB ARG 5 -9.696 -5.682 4.152 32 1HG ARG 5 2HG ARG 5 -11.196 -5.684 5.920 33 2HG ARG 5 1HG ARG 5 -11.297 -3.986 5.455 34 1HD ARG 5 2HD ARG 5 -13.553 -4.895 5.715 35 2HD ARG 5 1HD ARG 5 -13.257 -4.534 4.013 36 HE ARG 5 HE ARG 5 -12.519 -7.191 4.253 37 1HH1 ARG 5 1HH2 ARG 5 -15.282 -5.286 5.043 38 2HH1 ARG 5 2HH2 ARG 5 -16.407 -6.583 4.810 39 1HH2 ARG 5 1HH1 ARG 5 -13.971 -8.894 3.948 40 2HH2 ARG 5 2HH1 ARG 5 -15.665 -8.625 4.190 41 H VAL 6 H VAL 6 -8.032 -4.554 3.327 42 HA VAL 6 HA VAL 6 -7.320 -2.778 5.416 43 HB VAL 6 HB VAL 6 -6.083 -4.800 3.968 44 1HG1 VAL 6 1HG1 VAL 6 -3.908 -3.690 3.266 45 2HG1 VAL 6 2HG1 VAL 6 -4.811 -2.179 3.242 46 3HG1 VAL 6 3HG1 VAL 6 -5.291 -3.507 2.191 47 1HG2 VAL 6 1HG2 VAL 6 -5.188 -2.898 6.105 48 2HG2 VAL 6 2HG2 VAL 6 -4.014 -4.021 5.420 49 3HG2 VAL 6 3HG2 VAL 6 -5.469 -4.633 6.199 50 H PHE 7 H PHE 7 -7.306 -2.425 1.928 51 HA PHE 7 HA PHE 7 -6.024 0.167 1.906 52 1HB PHE 7 2HB PHE 7 -6.034 -0.947 -0.187 53 2HB PHE 7 1HB PHE 7 -7.765 -1.254 -0.107 54 HD1 PHE 7 1HD PHE 7 -6.727 2.079 0.967 55 HD2 PHE 7 2HD PHE 7 -7.821 -0.280 -2.449 56 HE1 PHE 7 1HE PHE 7 -7.242 4.122 -0.283 57 HE2 PHE 7 2HE PHE 7 -8.274 1.800 -3.696 58 HZ PHE 7 HZ PHE 7 -8.028 3.994 -2.592 59 H GLU 8 H GLU 8 -9.511 -0.758 1.854 60 HA GLU 8 HA GLU 8 -10.605 1.818 1.714 61 1HB GLU 8 2HB GLU 8 -11.484 -0.549 3.395 62 2HB GLU 8 1HB GLU 8 -12.461 0.900 3.163 63 1HG GLU 8 2HG GLU 8 -11.371 -0.514 0.746 64 2HG GLU 8 1HG GLU 8 -12.782 -1.187 1.566 65 H LYS 9 H LYS 9 -9.568 0.069 4.626 66 HA LYS 9 HA LYS 9 -10.017 2.142 6.503 67 1HB LYS 9 2HB LYS 9 -7.781 0.100 6.541 68 2HB LYS 9 1HB LYS 9 -8.408 0.991 7.921 69 1HG LYS 9 2HG LYS 9 -9.845 -1.099 6.271 70 2HG LYS 9 1HG LYS 9 -9.437 -1.180 7.984 71 1HD LYS 9 2HD LYS 9 -10.918 0.910 8.258 72 2HD LYS 9 1HD LYS 9 -11.512 0.553 6.634 73 1HE LYS 9 2HE LYS 9 -13.002 -0.483 8.254 74 2HE LYS 9 1HE LYS 9 -12.110 -1.751 7.413 75 1HZ LYS 9 1HZ LYS 9 -11.665 -0.698 10.142 76 2HZ LYS 9 2HZ LYS 9 -10.480 -1.597 9.322 77 3HZ LYS 9 3HZ LYS 9 -11.988 -2.295 9.671 78 H PHE 10 H PHE 10 -7.161 1.525 4.455 79 HA PHE 10 HA PHE 10 -5.773 3.858 5.587 80 1HB PHE 10 2HB PHE 10 -5.033 2.279 3.144 81 2HB PHE 10 1HB PHE 10 -3.978 3.281 4.144 82 HD1 PHE 10 1HD PHE 10 -4.827 2.503 6.876 83 HD2 PHE 10 2HD PHE 10 -4.126 0.082 3.393 84 HE1 PHE 10 1HE PHE 10 -4.287 0.576 8.327 85 HE2 PHE 10 2HE PHE 10 -3.570 -1.842 4.861 86 HZ PHE 10 HZ PHE 10 -3.661 -1.598 7.320 87 H ASP 11 H ASP 11 -8.034 3.229 3.055 88 HA ASP 11 HA ASP 11 -7.231 5.264 1.247 89 1HB ASP 11 2HB ASP 11 -9.200 3.530 1.093 90 2HB ASP 11 1HB ASP 11 -10.131 4.783 1.909 91 H LYS 12 H LYS 12 -6.334 6.722 2.676 92 HA LYS 12 HA LYS 12 -7.989 8.263 4.537 93 1HB LYS 12 2HB LYS 12 -5.919 8.489 5.418 94 2HB LYS 12 1HB LYS 12 -5.225 7.731 3.982 95 1HG LYS 12 2HG LYS 12 -5.218 9.910 2.831 96 2HG LYS 12 1HG LYS 12 -5.885 10.669 4.278 97 1HD LYS 12 2HD LYS 12 -3.916 10.469 5.464 98 2HD LYS 12 1HD LYS 12 -3.443 8.996 4.610 99 1HE LYS 12 2HE LYS 12 -2.656 10.194 2.738 100 2HE LYS 12 1HE LYS 12 -3.554 11.643 3.173 101 1HZ LYS 12 1HZ LYS 12 -1.954 11.198 5.326 102 2HZ LYS 12 2HZ LYS 12 -1.662 12.329 4.091 103 3HZ LYS 12 3HZ LYS 12 -0.955 10.786 4.017 104 H ASN 13 H ASN 13 -7.469 8.179 1.258 105 HA ASN 13 HA ASN 13 -8.217 11.061 0.919 106 1HB ASN 13 2HB ASN 13 -7.249 10.768 -1.421 107 2HB ASN 13 1HB ASN 13 -6.064 10.755 -0.110 108 1HD2 ASN 13 1HD2 ASN 13 -4.953 9.509 -2.112 109 2HD2 ASN 13 2HD2 ASN 13 -5.112 7.821 -2.064 110 H LYS 14 H LYS 14 -9.617 8.308 1.212 111 HA LYS 14 HA LYS 14 -11.285 7.022 -0.039 112 1HB LYS 14 2HB LYS 14 -12.549 9.760 -0.154 113 2HB LYS 14 1HB LYS 14 -13.314 8.205 0.168 114 1HG LYS 14 2HG LYS 14 -12.016 8.059 2.302 115 2HG LYS 14 1HG LYS 14 -11.407 9.687 1.997 116 1HD LYS 14 2HD LYS 14 -13.598 10.636 2.144 117 2HD LYS 14 1HD LYS 14 -14.361 9.047 2.101 118 1HE LYS 14 2HE LYS 14 -12.426 9.771 4.297 119 2HE LYS 14 1HE LYS 14 -14.128 10.217 4.405 120 1HZ LYS 14 1HZ LYS 14 -14.055 8.153 5.411 121 2HZ LYS 14 2HZ LYS 14 -12.922 7.529 4.309 122 3HZ LYS 14 3HZ LYS 14 -14.535 7.764 3.831 123 H ASP 15 H ASP 15 -9.358 7.530 -1.725 124 HA ASP 15 HA ASP 15 -10.569 8.764 -4.159 125 1HB ASP 15 2HB ASP 15 -7.725 8.372 -3.255 126 2HB ASP 15 1HB ASP 15 -8.093 8.617 -4.965 127 H GLY 16 H GLY 16 -9.119 5.694 -2.944 128 1HA GLY 16 2HA GLY 16 -9.735 3.619 -4.004 129 2HA GLY 16 1HA GLY 16 -9.991 4.504 -5.518 130 H LYS 17 H LYS 17 -7.451 5.665 -3.707 131 HA LYS 17 HA LYS 17 -5.390 3.892 -4.746 132 1HB LYS 17 2HB LYS 17 -5.322 6.798 -5.496 133 2HB LYS 17 1HB LYS 17 -4.148 5.544 -5.865 134 1HG LYS 17 2HG LYS 17 -5.291 5.525 -7.867 135 2HG LYS 17 1HG LYS 17 -6.288 4.383 -6.978 136 1HD LYS 17 2HD LYS 17 -7.857 5.902 -7.877 137 2HD LYS 17 1HD LYS 17 -7.635 6.472 -6.218 138 1HE LYS 17 2HE LYS 17 -7.310 8.477 -7.303 139 2HE LYS 17 1HE LYS 17 -5.657 7.865 -7.400 140 1HZ LYS 17 1HZ LYS 17 -7.738 7.488 -9.487 141 2HZ LYS 17 2HZ LYS 17 -6.115 6.993 -9.582 142 3HZ LYS 17 3HZ LYS 17 -6.502 8.648 -9.548 143 H LEU 18 H LEU 18 -3.503 4.109 -3.717 144 HA LEU 18 HA LEU 18 -3.413 5.934 -1.372 145 1HB LEU 18 2HB LEU 18 -2.938 3.112 -1.632 146 2HB LEU 18 1HB LEU 18 -1.673 3.967 -0.838 147 HG LEU 18 HG LEU 18 -3.362 5.044 0.605 148 1HD1 LEU 18 1HD1 LEU 18 -5.536 4.093 0.766 149 2HD1 LEU 18 2HD1 LEU 18 -5.141 2.920 -0.478 150 3HD1 LEU 18 3HD1 LEU 18 -5.280 4.629 -0.897 151 1HD2 LEU 18 1HD2 LEU 18 -3.354 3.215 2.064 152 2HD2 LEU 18 2HD2 LEU 18 -1.959 2.943 1.030 153 3HD2 LEU 18 3HD2 LEU 18 -3.459 2.063 0.745 154 H SER 19 H SER 19 -1.352 6.612 -0.735 155 HA SER 19 HA SER 19 0.584 6.804 -2.985 156 1HB SER 19 2HB SER 19 0.628 8.423 -0.473 157 2HB SER 19 1HB SER 19 1.328 8.829 -2.039 158 HG SER 19 HG SER 19 -1.417 8.723 -1.303 159 H LEU 20 H LEU 20 2.820 6.398 -2.433 160 HA LEU 20 HA LEU 20 3.303 4.195 -0.789 161 1HB LEU 20 2HB LEU 20 4.849 5.327 -2.496 162 2HB LEU 20 1HB LEU 20 5.238 6.479 -1.227 163 HG LEU 20 HG LEU 20 6.648 4.263 -1.662 164 1HD1 LEU 20 1HD1 LEU 20 7.409 5.892 -0.175 165 2HD1 LEU 20 2HD1 LEU 20 7.278 4.427 0.797 166 3HD1 LEU 20 3HD1 LEU 20 6.030 5.668 0.899 167 1HD2 LEU 20 1HD2 LEU 20 5.006 3.362 0.671 168 2HD2 LEU 20 2HD2 LEU 20 6.052 2.414 -0.382 169 3HD2 LEU 20 3HD2 LEU 20 4.492 2.951 -0.946 170 H ASP 21 H ASP 21 2.748 7.396 -0.166 171 HA ASP 21 HA ASP 21 3.797 7.612 2.512 172 1HB ASP 21 2HB ASP 21 1.410 9.171 1.530 173 2HB ASP 21 1HB ASP 21 2.691 9.688 2.625 174 H GLU 22 H GLU 22 0.463 6.807 1.198 175 HA GLU 22 HA GLU 22 -0.594 6.380 3.829 176 1HB GLU 22 2HB GLU 22 -1.497 5.576 1.076 177 2HB GLU 22 1HB GLU 22 -2.384 5.142 2.535 178 1HG GLU 22 2HG GLU 22 -3.179 7.261 1.416 179 2HG GLU 22 1HG GLU 22 -2.733 7.438 3.110 180 H PHE 23 H PHE 23 0.754 4.263 1.340 181 HA PHE 23 HA PHE 23 0.311 1.824 2.772 182 1HB PHE 23 2HB PHE 23 0.618 1.856 0.354 183 2HB PHE 23 1HB PHE 23 2.234 2.466 0.587 184 HD1 PHE 23 1HD PHE 23 3.881 1.081 1.930 185 HD2 PHE 23 2HD PHE 23 0.189 -0.475 0.422 186 HE1 PHE 23 1HE PHE 23 4.759 -1.224 2.193 187 HE2 PHE 23 2HE PHE 23 1.053 -2.785 0.684 188 HZ PHE 23 HZ PHE 23 3.339 -3.161 1.571 189 H ARG 24 H ARG 24 2.761 4.356 2.846 190 HA ARG 24 HA ARG 24 4.761 2.711 4.227 191 1HB ARG 24 2HB ARG 24 5.589 4.520 2.863 192 2HB ARG 24 1HB ARG 24 4.538 5.679 3.681 193 1HG ARG 24 2HG ARG 24 5.745 5.432 5.731 194 2HG ARG 24 1HG ARG 24 6.634 4.050 5.121 195 1HD ARG 24 2HD ARG 24 8.241 5.433 4.379 196 2HD ARG 24 1HD ARG 24 7.086 6.190 3.303 197 HE ARG 24 HE ARG 24 8.268 7.465 5.502 198 1HH1 ARG 24 1HH2 ARG 24 5.065 6.734 4.451 199 2HH1 ARG 24 2HH2 ARG 24 4.346 8.050 5.312 200 1HH2 ARG 24 1HH1 ARG 24 7.346 9.180 6.616 201 2HH2 ARG 24 2HH1 ARG 24 5.635 9.433 6.535 202 H GLU 25 H GLU 25 2.127 4.829 4.960 203 HA GLU 25 HA GLU 25 2.743 5.029 7.838 204 1HB GLU 25 2HB GLU 25 1.187 6.615 6.433 205 2HB GLU 25 1HB GLU 25 -0.023 5.349 6.641 206 1HG GLU 25 2HG GLU 25 0.300 5.478 9.103 207 2HG GLU 25 1HG GLU 25 1.446 6.797 8.864 208 H VAL 26 H VAL 26 0.902 3.203 5.587 209 HA VAL 26 HA VAL 26 -0.529 1.356 7.215 210 HB VAL 26 HB VAL 26 0.415 1.750 4.468 211 1HG1 VAL 26 1HG1 VAL 26 -0.394 -0.544 3.757 212 2HG1 VAL 26 2HG1 VAL 26 -0.191 -1.013 5.445 213 3HG1 VAL 26 3HG1 VAL 26 1.199 -0.461 4.505 214 1HG2 VAL 26 1HG2 VAL 26 -1.758 2.458 4.950 215 2HG2 VAL 26 2HG2 VAL 26 -2.152 0.904 5.680 216 3HG2 VAL 26 3HG2 VAL 26 -1.899 1.022 3.936 217 H ALA 27 H ALA 27 2.583 1.268 5.612 218 HA ALA 27 HA ALA 27 3.230 -1.391 6.486 219 1HB ALA 27 1HB ALA 27 5.071 0.696 5.301 220 2HB ALA 27 2HB ALA 27 4.023 -0.346 4.341 221 3HB ALA 27 3HB ALA 27 5.318 -1.048 5.310 222 H LEU 28 H LEU 28 4.163 1.856 7.413 223 HA LEU 28 HA LEU 28 6.098 0.993 9.405 224 1HB LEU 28 2HB LEU 28 4.779 3.606 8.736 225 2HB LEU 28 1HB LEU 28 5.695 3.443 10.230 226 HG LEU 28 HG LEU 28 7.725 3.113 9.123 227 1HD1 LEU 28 1HD1 LEU 28 6.065 2.234 6.756 228 2HD1 LEU 28 2HD1 LEU 28 7.279 1.314 7.638 229 3HD1 LEU 28 3HD1 LEU 28 7.768 2.641 6.592 230 1HD2 LEU 28 1HD2 LEU 28 7.344 5.355 8.675 231 2HD2 LEU 28 2HD2 LEU 28 5.945 5.028 7.661 232 3HD2 LEU 28 3HD2 LEU 28 7.570 4.743 7.040 233 H ALA 29 H ALA 29 2.639 1.753 9.399 234 HA ALA 29 HA ALA 29 2.414 1.776 12.290 235 1HB ALA 29 1HB ALA 29 0.900 3.047 10.830 236 2HB ALA 29 2HB ALA 29 -0.001 1.875 11.790 237 3HB ALA 29 3HB ALA 29 0.343 1.545 10.091 238 H PHE 30 H PHE 30 1.052 -0.430 9.818 239 HA PHE 30 HA PHE 30 0.412 -2.434 11.821 240 1HB PHE 30 2HB PHE 30 -0.819 -1.960 9.614 241 2HB PHE 30 1HB PHE 30 0.473 -2.880 8.836 242 HD1 PHE 30 1HD PHE 30 -2.621 -3.069 10.657 243 HD2 PHE 30 2HD PHE 30 0.960 -5.247 9.714 244 HE1 PHE 30 1HE PHE 30 -3.742 -5.187 11.294 245 HE2 PHE 30 2HE PHE 30 -0.162 -7.366 10.353 246 HZ PHE 30 HZ PHE 30 -2.512 -7.336 11.143 247 H SER 31 H SER 31 2.736 -2.380 9.098 248 HA SER 31 HA SER 31 4.188 -4.627 10.453 249 1HB SER 31 2HB SER 31 3.599 -4.002 7.602 250 2HB SER 31 1HB SER 31 5.175 -4.706 7.950 251 HG SER 31 HG SER 31 3.837 -6.414 7.714 252 HA PRO 32 HA PRO 32 6.660 -0.598 10.619 253 1HB PRO 32 2HB PRO 32 7.792 -1.402 13.081 254 2HB PRO 32 1HB PRO 32 6.472 -0.236 12.863 255 1HG PRO 32 2HG PRO 32 6.361 -3.104 13.607 256 2HG PRO 32 1HG PRO 32 5.301 -1.766 14.086 257 1HD PRO 32 2HD PRO 32 4.527 -3.616 12.277 258 2HD PRO 32 1HD PRO 32 4.008 -1.921 12.154 259 H TYR 33 H TYR 33 7.370 -4.022 10.814 260 HA TYR 33 HA TYR 33 10.247 -3.697 10.724 261 1HB TYR 33 2HB TYR 33 8.710 -6.131 9.807 262 2HB TYR 33 1HB TYR 33 10.321 -6.057 10.530 263 HD1 TYR 33 1HD TYR 33 10.565 -5.377 12.948 264 HD2 TYR 33 2HD TYR 33 6.752 -6.240 11.169 265 HE1 TYR 33 1HE TYR 33 9.573 -5.647 15.204 266 HE2 TYR 33 2HE TYR 33 5.760 -6.509 13.426 267 HH TYR 33 HH TYR 33 7.261 -5.459 16.229 268 H PHE 34 H PHE 34 7.798 -3.174 8.435 269 HA PHE 34 HA PHE 34 9.140 -4.168 6.073 270 1HB PHE 34 2HB PHE 34 6.778 -2.498 6.602 271 2HB PHE 34 1HB PHE 34 7.747 -1.842 5.320 272 HD1 PHE 34 1HD PHE 34 5.025 -3.812 5.823 273 HD2 PHE 34 2HD PHE 34 8.785 -3.900 3.756 274 HE1 PHE 34 1HE PHE 34 4.114 -5.499 4.251 275 HE2 PHE 34 2HE PHE 34 7.878 -5.590 2.180 276 HZ PHE 34 HZ PHE 34 5.540 -6.387 2.429 277 H THR 35 H THR 35 10.940 -3.485 5.226 278 HA THR 35 HA THR 35 12.182 -1.083 6.291 279 HB THR 35 HB THR 35 13.601 -1.973 4.002 280 HG1 THR 35 1HG THR 35 13.674 -4.235 5.246 281 1HG2 THR 35 1HG2 THR 35 15.188 -2.674 5.749 282 2HG2 THR 35 2HG2 THR 35 13.912 -2.495 6.956 283 3HG2 THR 35 3HG2 THR 35 14.504 -1.084 6.081 284 H GLN 36 H GLN 36 12.470 0.827 5.256 285 HA GLN 36 HA GLN 36 10.482 1.742 3.531 286 1HB GLN 36 2HB GLN 36 12.169 3.038 4.946 287 2HB GLN 36 1HB GLN 36 13.296 2.814 3.607 288 1HG GLN 36 2HG GLN 36 11.973 4.984 3.553 289 2HG GLN 36 1HG GLN 36 11.888 4.022 2.087 290 1HE2 GLN 36 1HE2 GLN 36 9.783 4.678 1.412 291 2HE2 GLN 36 2HE2 GLN 36 8.381 4.344 2.307 292 H GLU 37 H GLU 37 13.519 0.196 2.823 293 HA GLU 37 HA GLU 37 13.483 0.803 -0.032 294 1HB GLU 37 2HB GLU 37 15.521 0.052 1.368 295 2HB GLU 37 1HB GLU 37 14.862 -1.579 1.241 296 1HG GLU 37 2HG GLU 37 14.815 -1.279 -1.263 297 2HG GLU 37 1HG GLU 37 15.685 0.240 -1.039 298 H ASP 38 H ASP 38 12.286 -1.815 2.032 299 HA ASP 38 HA ASP 38 11.433 -3.475 -0.195 300 1HB ASP 38 2HB ASP 38 10.834 -3.454 2.764 301 2HB ASP 38 1HB ASP 38 10.023 -4.574 1.664 302 H ILE 39 H ILE 39 9.932 -1.018 1.863 303 HA ILE 39 HA ILE 39 7.239 -1.362 0.844 304 HB ILE 39 HB ILE 39 8.519 1.080 2.111 305 1HG1 ILE 39 2HG1 ILE 39 6.826 -0.883 3.593 306 2HG1 ILE 39 1HG1 ILE 39 8.505 -1.310 3.265 307 1HG2 ILE 39 1HG2 ILE 39 5.855 0.549 1.133 308 2HG2 ILE 39 2HG2 ILE 39 6.480 2.022 1.878 309 3HG2 ILE 39 3HG2 ILE 39 5.812 0.740 2.888 310 1HD1 ILE 39 1HD1 ILE 39 9.221 0.108 4.908 311 2HD1 ILE 39 2HD1 ILE 39 7.535 0.357 5.349 312 3HD1 ILE 39 3HD1 ILE 39 8.314 1.449 4.213 313 H VAL 40 H VAL 40 9.900 0.847 0.099 314 HA VAL 40 HA VAL 40 8.398 2.209 -1.973 315 HB VAL 40 HB VAL 40 10.544 3.288 -2.451 316 1HG1 VAL 40 1HG1 VAL 40 10.802 4.213 -0.114 317 2HG1 VAL 40 2HG1 VAL 40 9.685 2.955 0.414 318 3HG1 VAL 40 3HG1 VAL 40 9.148 4.188 -0.724 319 1HG2 VAL 40 1HG2 VAL 40 11.514 1.003 -0.882 320 2HG2 VAL 40 2HG2 VAL 40 12.272 2.557 -0.521 321 3HG2 VAL 40 3HG2 VAL 40 12.316 1.909 -2.159 322 H LYS 41 H LYS 41 10.788 -0.457 -1.906 323 HA LYS 41 HA LYS 41 10.986 -0.630 -4.781 324 1HB LYS 41 2HB LYS 41 12.425 -1.927 -3.079 325 2HB LYS 41 1HB LYS 41 11.024 -2.982 -2.847 326 1HG LYS 41 2HG LYS 41 11.023 -3.493 -5.267 327 2HG LYS 41 1HG LYS 41 12.434 -2.459 -5.485 328 1HD LYS 41 2HD LYS 41 13.801 -3.890 -4.125 329 2HD LYS 41 1HD LYS 41 12.399 -4.811 -3.581 330 1HE LYS 41 2HE LYS 41 12.027 -5.646 -5.850 331 2HE LYS 41 1HE LYS 41 13.364 -4.666 -6.453 332 1HZ LYS 41 1HZ LYS 41 13.666 -6.735 -4.349 333 2HZ LYS 41 2HZ LYS 41 14.903 -5.911 -5.174 334 3HZ LYS 41 3HZ LYS 41 13.927 -7.032 -5.999 335 H PHE 42 H PHE 42 9.080 -2.368 -2.347 336 HA PHE 42 HA PHE 42 7.275 -3.752 -3.897 337 1HB PHE 42 2HB PHE 42 7.291 -2.448 -1.206 338 2HB PHE 42 1HB PHE 42 5.762 -3.063 -1.758 339 HD1 PHE 42 1HD PHE 42 5.513 -4.916 -0.255 340 HD2 PHE 42 2HD PHE 42 9.087 -4.498 -2.605 341 HE1 PHE 42 1HE PHE 42 6.214 -7.203 0.396 342 HE2 PHE 42 2HE PHE 42 9.783 -6.783 -1.953 343 HZ PHE 42 HZ PHE 42 8.347 -8.136 -0.452 344 H PHE 43 H PHE 43 6.757 -0.499 -2.549 345 HA PHE 43 HA PHE 43 4.298 -0.027 -3.955 346 1HB PHE 43 2HB PHE 43 4.876 1.128 -1.920 347 2HB PHE 43 1HB PHE 43 6.306 1.827 -2.676 348 HD1 PHE 43 1HD PHE 43 2.842 2.242 -2.003 349 HD2 PHE 43 2HD PHE 43 5.927 3.340 -4.761 350 HE1 PHE 43 1HE PHE 43 1.520 4.199 -2.706 351 HE2 PHE 43 2HE PHE 43 4.582 5.274 -5.472 352 HZ PHE 43 HZ PHE 43 2.382 5.707 -4.458 353 H GLU 44 H GLU 44 7.559 1.217 -4.491 354 HA GLU 44 HA GLU 44 6.980 2.684 -6.887 355 1HB GLU 44 2HB GLU 44 9.559 1.238 -6.177 356 2HB GLU 44 1HB GLU 44 9.388 2.467 -7.427 357 1HG GLU 44 2HG GLU 44 8.514 3.104 -4.620 358 2HG GLU 44 1HG GLU 44 10.232 3.165 -5.029 359 H GLU 45 H GLU 45 7.521 -0.692 -6.225 360 HA GLU 45 HA GLU 45 7.720 -1.554 -8.988 361 1HB GLU 45 2HB GLU 45 8.768 -2.887 -7.266 362 2HB GLU 45 1HB GLU 45 7.254 -2.956 -6.350 363 1HG GLU 45 2HG GLU 45 6.226 -4.346 -7.930 364 2HG GLU 45 1HG GLU 45 7.454 -4.040 -9.157 365 H ILE 46 H ILE 46 5.194 -1.367 -6.509 366 HA ILE 46 HA ILE 46 3.260 -2.665 -8.311 367 HB ILE 46 HB ILE 46 3.557 -2.713 -5.599 368 1HG1 ILE 46 2HG1 ILE 46 1.119 -3.571 -5.652 369 2HG1 ILE 46 1HG1 ILE 46 1.173 -3.201 -7.374 370 1HG2 ILE 46 1HG2 ILE 46 2.730 -0.314 -5.571 371 2HG2 ILE 46 2HG2 ILE 46 1.890 -1.452 -4.519 372 3HG2 ILE 46 3HG2 ILE 46 1.164 -0.966 -6.048 373 1HD1 ILE 46 1HD1 ILE 46 3.535 -4.582 -7.009 374 2HD1 ILE 46 2HD1 ILE 46 2.033 -5.290 -7.602 375 3HD1 ILE 46 3HD1 ILE 46 2.442 -5.402 -5.891 376 H ASP 47 H ASP 47 4.009 0.601 -7.156 377 HA ASP 47 HA ASP 47 1.521 1.756 -8.117 378 1HB ASP 47 2HB ASP 47 2.845 3.033 -6.522 379 2HB ASP 47 1HB ASP 47 4.260 2.962 -7.578 380 H VAL 48 H VAL 48 1.490 0.508 -10.200 381 HA VAL 48 HA VAL 48 3.565 0.883 -12.168 382 HB VAL 48 HB VAL 48 2.126 -1.098 -12.034 383 1HG1 VAL 48 1HG1 VAL 48 -0.180 -1.031 -12.110 384 2HG1 VAL 48 2HG1 VAL 48 -0.207 0.416 -13.117 385 3HG1 VAL 48 3HG1 VAL 48 0.110 0.554 -11.390 386 1HG2 VAL 48 1HG2 VAL 48 3.023 -0.122 -14.269 387 2HG2 VAL 48 2HG2 VAL 48 1.358 0.390 -14.547 388 3HG2 VAL 48 3HG2 VAL 48 1.736 -1.322 -14.368 389 H ASP 49 H ASP 49 0.578 2.535 -11.468 390 HA ASP 49 HA ASP 49 0.320 3.614 -14.143 391 1HB ASP 49 2HB ASP 49 -1.764 3.825 -13.357 392 2HB ASP 49 1HB ASP 49 -1.215 3.534 -11.709 393 H GLY 50 H GLY 50 2.226 4.363 -11.443 394 1HA GLY 50 2HA GLY 50 3.834 5.951 -11.207 395 2HA GLY 50 1HA GLY 50 3.498 6.504 -12.843 396 H ASN 51 H ASN 51 0.686 6.509 -10.895 397 HA ASN 51 HA ASN 51 0.673 9.433 -10.895 398 1HB ASN 51 2HB ASN 51 -1.433 8.144 -11.211 399 2HB ASN 51 1HB ASN 51 -1.247 7.473 -9.586 400 1HD2 ASN 51 1HD2 ASN 51 -3.433 8.626 -9.254 401 2HD2 ASN 51 2HD2 ASN 51 -3.394 10.265 -8.814 402 H GLY 52 H GLY 52 2.221 7.184 -9.148 403 1HA GLY 52 2HA GLY 52 3.486 7.433 -7.175 404 2HA GLY 52 1HA GLY 52 2.745 9.016 -6.953 405 H GLU 53 H GLU 53 0.635 6.316 -7.513 406 HA GLU 53 HA GLU 53 0.158 5.972 -4.606 407 1HB GLU 53 2HB GLU 53 -2.275 6.396 -6.261 408 2HB GLU 53 1HB GLU 53 -1.984 6.861 -4.591 409 1HG GLU 53 2HG GLU 53 -0.483 8.679 -5.384 410 2HG GLU 53 1HG GLU 53 -0.867 8.242 -7.050 411 H LEU 54 H LEU 54 -1.125 4.125 -4.047 412 HA LEU 54 HA LEU 54 -0.732 1.896 -5.881 413 1HB LEU 54 2HB LEU 54 -2.165 2.167 -3.238 414 2HB LEU 54 1HB LEU 54 -1.930 0.685 -4.056 415 HG LEU 54 HG LEU 54 -0.113 0.512 -2.758 416 1HD1 LEU 54 1HD1 LEU 54 1.922 1.182 -3.776 417 2HD1 LEU 54 2HD1 LEU 54 1.162 2.569 -4.555 418 3HD1 LEU 54 3HD1 LEU 54 0.801 0.940 -5.101 419 1HD2 LEU 54 1HD2 LEU 54 0.929 2.544 -1.772 420 2HD2 LEU 54 2HD2 LEU 54 -0.767 2.312 -1.413 421 3HD2 LEU 54 3HD2 LEU 54 -0.284 3.485 -2.630 422 H ASN 55 H ASN 55 -2.115 1.524 -7.460 423 HA ASN 55 HA ASN 55 -4.835 2.620 -7.411 424 1HB ASN 55 2HB ASN 55 -4.775 0.799 -9.513 425 2HB ASN 55 1HB ASN 55 -4.462 2.524 -9.639 426 1HD2 ASN 55 1HD2 ASN 55 -3.185 -0.214 -10.731 427 2HD2 ASN 55 2HD2 ASN 55 -1.529 0.129 -10.636 428 H ALA 56 H ALA 56 -6.592 0.928 -8.213 429 HA ALA 56 HA ALA 56 -7.096 -0.794 -5.993 430 1HB ALA 56 1HB ALA 56 -9.012 -1.583 -7.420 431 2HB ALA 56 2HB ALA 56 -8.384 -0.545 -8.702 432 3HB ALA 56 3HB ALA 56 -8.921 0.162 -7.180 433 H ASP 57 H ASP 57 -6.506 -1.871 -9.419 434 HA ASP 57 HA ASP 57 -6.268 -4.599 -8.728 435 1HB ASP 57 2HB ASP 57 -6.399 -3.637 -11.062 436 2HB ASP 57 1HB ASP 57 -4.696 -3.204 -10.910 437 H GLU 58 H GLU 58 -3.802 -2.064 -8.797 438 HA GLU 58 HA GLU 58 -1.629 -3.846 -8.120 439 1HB GLU 58 2HB GLU 58 -1.932 -0.838 -8.039 440 2HB GLU 58 1HB GLU 58 -0.468 -1.640 -7.487 441 1HG GLU 58 2HG GLU 58 -1.687 -1.954 -10.244 442 2HG GLU 58 1HG GLU 58 -0.314 -0.924 -9.852 443 H PHE 59 H PHE 59 -4.001 -2.011 -6.339 444 HA PHE 59 HA PHE 59 -2.863 -1.978 -3.753 445 1HB PHE 59 2HB PHE 59 -5.603 -2.056 -4.901 446 2HB PHE 59 1HB PHE 59 -5.472 -2.598 -3.253 447 HD1 PHE 59 1HD PHE 59 -3.610 -0.991 -1.916 448 HD2 PHE 59 2HD PHE 59 -6.301 0.109 -5.044 449 HE1 PHE 59 1HE PHE 59 -3.556 1.355 -1.173 450 HE2 PHE 59 2HE PHE 59 -6.234 2.426 -4.326 451 HZ PHE 59 HZ PHE 59 -4.874 3.068 -2.403 452 H THR 60 H THR 60 -4.692 -4.540 -5.476 453 HA THR 60 HA THR 60 -4.609 -6.403 -3.276 454 HB THR 60 HB THR 60 -5.470 -7.999 -4.858 455 HG1 THR 60 1HG THR 60 -5.299 -6.411 -7.067 456 1HG2 THR 60 1HG2 THR 60 -6.958 -6.140 -4.160 457 2HG2 THR 60 2HG2 THR 60 -7.348 -6.732 -5.775 458 3HG2 THR 60 3HG2 THR 60 -6.449 -5.227 -5.580 459 H SER 61 H SER 61 -2.728 -6.120 -6.288 460 HA SER 61 HA SER 61 -0.963 -8.293 -5.679 461 1HB SER 61 2HB SER 61 -1.229 -7.062 -7.916 462 2HB SER 61 1HB SER 61 -0.203 -5.803 -7.229 463 HG SER 61 HG SER 61 0.480 -8.186 -8.269 464 H CYS 62 H CYS 62 -1.273 -5.102 -4.354 465 HA CYS 62 HA CYS 62 1.510 -4.894 -3.464 466 1HB CYS 62 2HB CYS 62 -0.119 -2.938 -3.839 467 2HB CYS 62 1HB CYS 62 -0.871 -3.421 -2.322 468 HG CYS 62 HG CYS 62 0.911 -1.893 -1.425 469 H ILE 63 H ILE 63 -1.631 -5.489 -1.881 470 HA ILE 63 HA ILE 63 -0.406 -6.239 0.618 471 HB ILE 63 HB ILE 63 -3.165 -6.406 -0.539 472 1HG1 ILE 63 2HG1 ILE 63 -3.682 -4.991 1.348 473 2HG1 ILE 63 1HG1 ILE 63 -2.122 -5.332 2.093 474 1HG2 ILE 63 1HG2 ILE 63 -2.100 -7.986 1.791 475 2HG2 ILE 63 2HG2 ILE 63 -3.212 -8.499 0.521 476 3HG2 ILE 63 3HG2 ILE 63 -3.770 -7.417 1.796 477 1HD1 ILE 63 1HD1 ILE 63 -2.366 -3.110 0.804 478 2HD1 ILE 63 2HD1 ILE 63 -2.309 -4.105 -0.650 479 3HD1 ILE 63 3HD1 ILE 63 -0.944 -4.093 0.468 480 H GLU 64 H GLU 64 -1.516 -8.162 -2.263 481 HA GLU 64 HA GLU 64 -1.137 -10.662 -1.011 482 1HB GLU 64 2HB GLU 64 -2.249 -10.132 -3.268 483 2HB GLU 64 1HB GLU 64 -0.615 -10.050 -3.927 484 1HG GLU 64 2HG GLU 64 -0.200 -12.353 -3.011 485 2HG GLU 64 1HG GLU 64 -1.904 -12.426 -2.561 486 H LYS 65 H LYS 65 1.126 -8.217 -2.163 487 HA LYS 65 HA LYS 65 3.351 -9.915 -2.689 488 1HB LYS 65 2HB LYS 65 2.996 -7.195 -2.553 489 2HB LYS 65 1HB LYS 65 3.959 -7.473 -1.107 490 1HG LYS 65 2HG LYS 65 5.836 -7.772 -2.334 491 2HG LYS 65 1HG LYS 65 5.056 -9.010 -3.308 492 1HD LYS 65 2HD LYS 65 5.494 -7.450 -4.954 493 2HD LYS 65 1HD LYS 65 3.901 -6.891 -4.455 494 1HE LYS 65 2HE LYS 65 5.085 -5.354 -2.810 495 2HE LYS 65 1HE LYS 65 6.595 -5.792 -3.615 496 1HZ LYS 65 1HZ LYS 65 6.068 -4.609 -5.438 497 2HZ LYS 65 2HZ LYS 65 5.060 -3.756 -4.370 498 3HZ LYS 65 3HZ LYS 65 4.416 -4.982 -5.354 499 H MET 66 H MET 66 1.498 -9.910 -0.090 500 HA MET 66 HA MET 66 2.881 -11.787 1.457 501 1HB MET 66 2HB MET 66 3.952 -9.063 1.848 502 2HB MET 66 1HB MET 66 3.651 -9.951 3.336 503 1HG MET 66 2HG MET 66 4.934 -11.703 1.420 504 2HG MET 66 1HG MET 66 5.858 -10.220 1.595 505 1HE MET 66 1HE MET 66 5.122 -13.554 4.584 506 2HE MET 66 2HE MET 66 5.029 -13.567 2.824 507 3HE MET 66 3HE MET 66 3.767 -12.770 3.760 508 H LEU 67 H LEU 67 0.083 -10.249 1.143 509 HA LEU 67 HA LEU 67 -1.041 -9.328 3.388 510 1HB LEU 67 2HB LEU 67 -2.196 -10.377 1.318 511 2HB LEU 67 1HB LEU 67 -2.196 -11.875 2.244 512 HG LEU 67 HG LEU 67 -3.387 -9.255 3.222 513 1HD1 LEU 67 1HD1 LEU 67 -4.769 -9.986 1.430 514 2HD1 LEU 67 2HD1 LEU 67 -5.558 -10.581 2.891 515 3HD1 LEU 67 3HD1 LEU 67 -4.605 -11.680 1.892 516 1HD2 LEU 67 1HD2 LEU 67 -2.910 -10.484 5.156 517 2HD2 LEU 67 2HD2 LEU 67 -3.141 -12.037 4.351 518 3HD2 LEU 67 3HD2 LEU 67 -4.536 -11.046 4.777 Start of MODEL 12 1 HA SER 1 HA SER 1 -6.375 -11.819 1.383 2 1HB SER 1 2HB SER 1 -7.428 -10.283 -1.011 3 2HB SER 1 1HB SER 1 -5.756 -10.282 -0.457 4 HG SER 1 HG SER 1 -5.512 -12.069 -1.514 5 H SER 2 H SER 2 -9.317 -9.990 1.363 6 HA SER 2 HA SER 2 -9.893 -7.949 2.383 7 1HB SER 2 2HB SER 2 -7.810 -7.968 4.413 8 2HB SER 2 1HB SER 2 -9.547 -8.193 4.602 9 HG SER 2 HG SER 2 -8.836 -10.380 3.523 10 H ALA 3 H ALA 3 -7.705 -7.936 0.301 11 HA ALA 3 HA ALA 3 -5.852 -5.886 1.244 12 1HB ALA 3 1HB ALA 3 -5.137 -7.524 -0.441 13 2HB ALA 3 2HB ALA 3 -5.034 -5.876 -1.067 14 3HB ALA 3 3HB ALA 3 -6.370 -6.921 -1.549 15 H LYS 4 H LYS 4 -8.871 -6.008 -0.545 16 HA LYS 4 HA LYS 4 -8.687 -3.189 -1.325 17 1HB LYS 4 2HB LYS 4 -9.999 -4.573 -2.779 18 2HB LYS 4 1HB LYS 4 -10.892 -5.269 -1.433 19 1HG LYS 4 2HG LYS 4 -12.381 -3.692 -2.402 20 2HG LYS 4 1HG LYS 4 -11.741 -2.868 -0.985 21 1HD LYS 4 2HD LYS 4 -10.048 -1.748 -2.420 22 2HD LYS 4 1HD LYS 4 -10.743 -2.544 -3.832 23 1HE LYS 4 2HE LYS 4 -11.928 -0.387 -2.104 24 2HE LYS 4 1HE LYS 4 -11.813 -0.461 -3.862 25 1HZ LYS 4 1HZ LYS 4 -13.714 -1.794 -2.064 26 2HZ LYS 4 2HZ LYS 4 -13.322 -2.535 -3.541 27 3HZ LYS 4 3HZ LYS 4 -14.003 -0.979 -3.524 28 H ARG 5 H ARG 5 -10.063 -5.184 1.200 29 HA ARG 5 HA ARG 5 -11.614 -3.178 2.536 30 1HB ARG 5 2HB ARG 5 -11.412 -5.811 2.866 31 2HB ARG 5 1HB ARG 5 -10.202 -5.342 4.064 32 1HG ARG 5 2HG ARG 5 -11.866 -3.881 5.165 33 2HG ARG 5 1HG ARG 5 -13.072 -4.358 3.968 34 1HD ARG 5 2HD ARG 5 -12.119 -6.795 4.888 35 2HD ARG 5 1HD ARG 5 -12.130 -5.808 6.347 36 HE ARG 5 HE ARG 5 -14.416 -6.981 5.258 37 1HH1 ARG 5 1HH2 ARG 5 -13.334 -3.772 5.943 38 2HH1 ARG 5 2HH2 ARG 5 -14.933 -3.132 6.093 39 1HH2 ARG 5 1HH1 ARG 5 -16.496 -6.158 5.460 40 2HH2 ARG 5 2HH1 ARG 5 -16.721 -4.479 5.824 41 H VAL 6 H VAL 6 -8.295 -4.392 3.121 42 HA VAL 6 HA VAL 6 -7.670 -2.570 5.216 43 HB VAL 6 HB VAL 6 -6.349 -4.670 4.201 44 1HG1 VAL 6 1HG1 VAL 6 -5.897 -3.489 2.060 45 2HG1 VAL 6 2HG1 VAL 6 -4.455 -4.073 2.884 46 3HG1 VAL 6 3HG1 VAL 6 -4.872 -2.365 2.948 47 1HG2 VAL 6 1HG2 VAL 6 -5.812 -3.486 6.309 48 2HG2 VAL 6 2HG2 VAL 6 -4.955 -2.252 5.387 49 3HG2 VAL 6 3HG2 VAL 6 -4.350 -3.908 5.416 50 H PHE 7 H PHE 7 -7.360 -2.332 1.720 51 HA PHE 7 HA PHE 7 -6.032 0.173 1.548 52 1HB PHE 7 2HB PHE 7 -6.403 -1.012 -0.509 53 2HB PHE 7 1HB PHE 7 -8.147 -1.043 -0.240 54 HD1 PHE 7 1HD PHE 7 -5.346 0.902 -1.478 55 HD2 PHE 7 2HD PHE 7 -9.466 1.095 -0.286 56 HE1 PHE 7 1HE PHE 7 -5.574 3.090 -2.584 57 HE2 PHE 7 2HE PHE 7 -9.685 3.288 -1.399 58 HZ PHE 7 HZ PHE 7 -7.744 4.288 -2.546 59 H GLU 8 H GLU 8 -9.531 -0.525 1.780 60 HA GLU 8 HA GLU 8 -10.491 2.123 1.728 61 1HB GLU 8 2HB GLU 8 -11.495 -0.248 3.332 62 2HB GLU 8 1HB GLU 8 -12.402 1.244 3.084 63 1HG GLU 8 2HG GLU 8 -11.317 -0.188 0.680 64 2HG GLU 8 1HG GLU 8 -12.757 -0.834 1.469 65 H LYS 9 H LYS 9 -9.503 0.185 4.551 66 HA LYS 9 HA LYS 9 -9.955 2.084 6.554 67 1HB LYS 9 2HB LYS 9 -8.248 -0.281 6.231 68 2HB LYS 9 1HB LYS 9 -7.546 0.908 7.327 69 1HG LYS 9 2HG LYS 9 -8.972 -0.637 8.585 70 2HG LYS 9 1HG LYS 9 -9.680 0.981 8.593 71 1HD LYS 9 2HD LYS 9 -11.583 -0.047 7.886 72 2HD LYS 9 1HD LYS 9 -10.793 -0.119 6.311 73 1HE LYS 9 2HE LYS 9 -10.705 -2.270 8.450 74 2HE LYS 9 1HE LYS 9 -11.613 -2.340 6.940 75 1HZ LYS 9 1HZ LYS 9 -9.631 -3.505 6.553 76 2HZ LYS 9 2HZ LYS 9 -8.676 -2.317 7.301 77 3HZ LYS 9 3HZ LYS 9 -9.410 -2.001 5.802 78 H PHE 10 H PHE 10 -7.178 1.870 4.320 79 HA PHE 10 HA PHE 10 -6.034 4.309 5.563 80 1HB PHE 10 2HB PHE 10 -5.017 2.486 3.413 81 2HB PHE 10 1HB PHE 10 -4.191 3.955 3.925 82 HD1 PHE 10 1HD PHE 10 -5.062 0.522 4.863 83 HD2 PHE 10 2HD PHE 10 -3.353 4.217 6.230 84 HE1 PHE 10 1HE PHE 10 -4.118 -0.644 6.839 85 HE2 PHE 10 2HE PHE 10 -2.402 3.048 8.198 86 HZ PHE 10 HZ PHE 10 -2.786 0.618 8.505 87 H ASP 11 H ASP 11 -8.201 3.618 2.961 88 HA ASP 11 HA ASP 11 -7.478 5.477 1.029 89 1HB ASP 11 2HB ASP 11 -9.863 5.814 0.591 90 2HB ASP 11 1HB ASP 11 -9.592 4.114 0.989 91 H LYS 12 H LYS 12 -6.204 6.862 2.401 92 HA LYS 12 HA LYS 12 -7.535 8.762 4.195 93 1HB LYS 12 2HB LYS 12 -5.432 8.742 5.014 94 2HB LYS 12 1HB LYS 12 -4.884 7.827 3.615 95 1HG LYS 12 2HG LYS 12 -4.578 9.897 2.344 96 2HG LYS 12 1HG LYS 12 -5.166 10.834 3.719 97 1HD LYS 12 2HD LYS 12 -3.277 10.404 5.004 98 2HD LYS 12 1HD LYS 12 -2.923 8.903 4.142 99 1HE LYS 12 2HE LYS 12 -1.271 10.590 3.515 100 2HE LYS 12 1HE LYS 12 -2.311 10.265 2.129 101 1HZ LYS 12 1HZ LYS 12 -2.769 12.417 2.081 102 2HZ LYS 12 2HZ LYS 12 -1.910 12.694 3.521 103 3HZ LYS 12 3HZ LYS 12 -3.552 12.263 3.578 104 H ASN 13 H ASN 13 -7.111 8.417 0.909 105 HA ASN 13 HA ASN 13 -7.516 11.348 0.432 106 1HB ASN 13 2HB ASN 13 -6.687 10.744 -1.940 107 2HB ASN 13 1HB ASN 13 -5.471 10.804 -0.658 108 1HD2 ASN 13 1HD2 ASN 13 -7.792 8.140 -0.850 109 2HD2 ASN 13 2HD2 ASN 13 -6.666 6.956 -1.307 110 H LYS 14 H LYS 14 -9.215 8.791 0.907 111 HA LYS 14 HA LYS 14 -11.053 7.646 -0.229 112 1HB LYS 14 2HB LYS 14 -12.042 10.479 -0.496 113 2HB LYS 14 1HB LYS 14 -12.923 9.035 0.005 114 1HG LYS 14 2HG LYS 14 -11.346 8.985 2.039 115 2HG LYS 14 1HG LYS 14 -10.906 10.631 1.585 116 1HD LYS 14 2HD LYS 14 -12.674 11.138 2.972 117 2HD LYS 14 1HD LYS 14 -13.579 10.890 1.480 118 1HE LYS 14 2HE LYS 14 -14.034 8.565 2.110 119 2HE LYS 14 1HE LYS 14 -13.073 8.757 3.576 120 1HZ LYS 14 1HZ LYS 14 -15.750 9.257 3.308 121 2HZ LYS 14 2HZ LYS 14 -15.041 10.801 3.324 122 3HZ LYS 14 3HZ LYS 14 -14.765 9.723 4.607 123 H ASP 15 H ASP 15 -9.132 7.860 -2.000 124 HA ASP 15 HA ASP 15 -10.327 9.062 -4.460 125 1HB ASP 15 2HB ASP 15 -7.481 8.550 -3.622 126 2HB ASP 15 1HB ASP 15 -7.894 8.744 -5.329 127 H GLY 16 H GLY 16 -9.082 5.957 -3.102 128 1HA GLY 16 2HA GLY 16 -9.809 3.893 -4.042 129 2HA GLY 16 1HA GLY 16 -10.074 4.705 -5.594 130 H LYS 17 H LYS 17 -7.411 5.708 -3.809 131 HA LYS 17 HA LYS 17 -5.485 3.837 -4.919 132 1HB LYS 17 2HB LYS 17 -5.387 6.766 -5.622 133 2HB LYS 17 1HB LYS 17 -4.119 5.580 -5.895 134 1HG LYS 17 2HG LYS 17 -5.095 5.425 -7.967 135 2HG LYS 17 1HG LYS 17 -6.170 4.314 -7.128 136 1HD LYS 17 2HD LYS 17 -7.663 5.792 -8.193 137 2HD LYS 17 1HD LYS 17 -7.558 6.446 -6.554 138 1HE LYS 17 2HE LYS 17 -7.177 8.382 -7.766 139 2HE LYS 17 1HE LYS 17 -5.518 7.802 -7.615 140 1HZ LYS 17 1HZ LYS 17 -5.391 7.506 -9.795 141 2HZ LYS 17 2HZ LYS 17 -6.884 8.303 -9.947 142 3HZ LYS 17 3HZ LYS 17 -6.830 6.607 -9.836 143 H LEU 18 H LEU 18 -3.542 3.973 -3.932 144 HA LEU 18 HA LEU 18 -3.494 5.619 -1.453 145 1HB LEU 18 2HB LEU 18 -3.145 2.809 -1.884 146 2HB LEU 18 1HB LEU 18 -1.778 3.542 -1.085 147 HG LEU 18 HG LEU 18 -3.199 4.550 0.521 148 1HD1 LEU 18 1HD1 LEU 18 -5.624 3.071 0.014 149 2HD1 LEU 18 2HD1 LEU 18 -5.288 4.281 -1.223 150 3HD1 LEU 18 3HD1 LEU 18 -5.407 4.755 0.454 151 1HD2 LEU 18 1HD2 LEU 18 -3.639 1.639 0.065 152 2HD2 LEU 18 2HD2 LEU 18 -3.816 2.454 1.618 153 3HD2 LEU 18 3HD2 LEU 18 -2.237 2.373 0.842 154 H SER 19 H SER 19 -1.512 6.264 -0.718 155 HA SER 19 HA SER 19 0.502 6.676 -2.862 156 1HB SER 19 2HB SER 19 0.302 8.161 -0.267 157 2HB SER 19 1HB SER 19 1.140 8.662 -1.735 158 HG SER 19 HG SER 19 -0.677 9.438 -2.462 159 H LEU 20 H LEU 20 2.710 6.379 -2.239 160 HA LEU 20 HA LEU 20 3.271 4.110 -0.718 161 1HB LEU 20 2HB LEU 20 4.825 5.450 -2.256 162 2HB LEU 20 1HB LEU 20 5.068 6.539 -0.898 163 HG LEU 20 HG LEU 20 6.654 4.471 -1.370 164 1HD1 LEU 20 1HD1 LEU 20 5.776 5.724 1.172 165 2HD1 LEU 20 2HD1 LEU 20 7.301 5.889 0.309 166 3HD1 LEU 20 3HD1 LEU 20 6.955 4.418 1.216 167 1HD2 LEU 20 1HD2 LEU 20 4.885 3.270 0.723 168 2HD2 LEU 20 2HD2 LEU 20 6.108 2.490 -0.276 169 3HD2 LEU 20 3HD2 LEU 20 4.578 2.953 -0.965 170 H ASP 21 H ASP 21 2.429 7.191 0.097 171 HA ASP 21 HA ASP 21 3.357 7.311 2.823 172 1HB ASP 21 2HB ASP 21 0.861 8.712 1.887 173 2HB ASP 21 1HB ASP 21 2.088 9.272 3.022 174 H GLU 22 H GLU 22 0.137 6.293 1.356 175 HA GLU 22 HA GLU 22 -0.888 5.607 3.950 176 1HB GLU 22 2HB GLU 22 -1.752 5.195 1.132 177 2HB GLU 22 1HB GLU 22 -2.556 4.315 2.433 178 1HG GLU 22 2HG GLU 22 -3.764 6.388 2.018 179 2HG GLU 22 1HG GLU 22 -2.959 6.503 3.584 180 H PHE 23 H PHE 23 0.562 3.771 1.290 181 HA PHE 23 HA PHE 23 0.224 1.220 2.516 182 1HB PHE 23 2HB PHE 23 0.526 1.373 0.137 183 2HB PHE 23 1HB PHE 23 2.064 2.159 0.374 184 HD1 PHE 23 1HD PHE 23 3.894 0.804 -0.079 185 HD2 PHE 23 2HD PHE 23 0.402 -0.908 1.720 186 HE1 PHE 23 1HE PHE 23 5.021 -1.404 0.002 187 HE2 PHE 23 2HE PHE 23 1.523 -3.116 1.809 188 HZ PHE 23 HZ PHE 23 3.835 -3.366 0.948 189 H ARG 24 H ARG 24 2.537 3.853 2.812 190 HA ARG 24 HA ARG 24 4.629 2.244 4.107 191 1HB ARG 24 2HB ARG 24 5.330 4.224 2.889 192 2HB ARG 24 1HB ARG 24 4.226 5.236 3.827 193 1HG ARG 24 2HG ARG 24 5.468 4.881 5.825 194 2HG ARG 24 1HG ARG 24 6.436 3.610 5.088 195 1HD ARG 24 2HD ARG 24 7.863 5.480 5.018 196 2HD ARG 24 1HD ARG 24 7.150 5.462 3.407 197 HE ARG 24 HE ARG 24 5.435 7.077 4.858 198 1HH1 ARG 24 1HH2 ARG 24 8.828 6.925 4.270 199 2HH1 ARG 24 2HH2 ARG 24 9.063 8.637 4.399 200 1HH2 ARG 24 1HH1 ARG 24 5.721 9.314 5.029 201 2HH2 ARG 24 2HH1 ARG 24 7.303 9.989 4.828 202 H GLU 25 H GLU 25 1.875 4.142 4.932 203 HA GLU 25 HA GLU 25 2.416 4.179 7.834 204 1HB GLU 25 2HB GLU 25 0.451 5.352 6.061 205 2HB GLU 25 1HB GLU 25 -0.397 4.440 7.308 206 1HG GLU 25 2HG GLU 25 -0.087 6.664 8.162 207 2HG GLU 25 1HG GLU 25 1.055 5.626 9.015 208 H VAL 26 H VAL 26 0.679 2.436 5.425 209 HA VAL 26 HA VAL 26 -0.686 0.427 6.912 210 HB VAL 26 HB VAL 26 0.349 0.968 4.200 211 1HG1 VAL 26 1HG1 VAL 26 -0.260 -1.776 5.135 212 2HG1 VAL 26 2HG1 VAL 26 0.962 -1.219 3.990 213 3HG1 VAL 26 3HG1 VAL 26 -0.731 -1.306 3.505 214 1HG2 VAL 26 1HG2 VAL 26 -1.836 0.994 3.525 215 2HG2 VAL 26 2HG2 VAL 26 -1.931 1.581 5.183 216 3HG2 VAL 26 3HG2 VAL 26 -2.341 -0.094 4.817 217 H ALA 27 H ALA 27 2.439 0.619 5.345 218 HA ALA 27 HA ALA 27 3.223 -2.056 6.010 219 1HB ALA 27 1HB ALA 27 4.936 0.234 5.029 220 2HB ALA 27 2HB ALA 27 4.008 -0.835 3.980 221 3HB ALA 27 3HB ALA 27 5.333 -1.481 4.943 222 H LEU 28 H LEU 28 3.816 1.119 7.280 223 HA LEU 28 HA LEU 28 5.793 0.211 9.243 224 1HB LEU 28 2HB LEU 28 4.409 2.809 8.683 225 2HB LEU 28 1HB LEU 28 5.242 2.588 10.219 226 HG LEU 28 HG LEU 28 7.342 2.446 9.236 227 1HD1 LEU 28 1HD1 LEU 28 5.886 1.469 6.785 228 2HD1 LEU 28 2HD1 LEU 28 7.187 0.690 7.681 229 3HD1 LEU 28 3HD1 LEU 28 7.530 2.081 6.660 230 1HD2 LEU 28 1HD2 LEU 28 6.898 4.668 8.804 231 2HD2 LEU 28 2HD2 LEU 28 5.546 4.308 7.739 232 3HD2 LEU 28 3HD2 LEU 28 7.199 4.114 7.160 233 H ALA 29 H ALA 29 2.309 0.777 9.156 234 HA ALA 29 HA ALA 29 1.974 0.685 12.027 235 1HB ALA 29 1HB ALA 29 0.402 1.878 10.602 236 2HB ALA 29 2HB ALA 29 -0.437 0.545 11.397 237 3HB ALA 29 3HB ALA 29 0.049 0.400 9.706 238 H PHE 30 H PHE 30 0.889 -1.572 9.453 239 HA PHE 30 HA PHE 30 0.331 -3.661 11.385 240 1HB PHE 30 2HB PHE 30 -0.799 -3.303 9.114 241 2HB PHE 30 1HB PHE 30 0.638 -4.047 8.405 242 HD1 PHE 30 1HD PHE 30 -2.432 -4.609 10.290 243 HD2 PHE 30 2HD PHE 30 1.263 -6.390 9.014 244 HE1 PHE 30 1HE PHE 30 -3.330 -6.857 10.826 245 HE2 PHE 30 2HE PHE 30 0.364 -8.639 9.549 246 HZ PHE 30 HZ PHE 30 -1.932 -8.872 10.456 247 H SER 31 H SER 31 2.859 -3.264 8.892 248 HA SER 31 HA SER 31 4.436 -5.369 10.332 249 1HB SER 31 2HB SER 31 4.260 -6.385 8.289 250 2HB SER 31 1HB SER 31 3.907 -4.876 7.457 251 HG SER 31 HG SER 31 5.976 -5.732 6.924 252 HA PRO 32 HA PRO 32 6.377 -1.079 10.726 253 1HB PRO 32 2HB PRO 32 7.553 -1.952 13.166 254 2HB PRO 32 1HB PRO 32 6.165 -0.864 12.980 255 1HG PRO 32 2HG PRO 32 6.228 -3.759 13.581 256 2HG PRO 32 1HG PRO 32 5.037 -2.527 14.043 257 1HD PRO 32 2HD PRO 32 4.517 -4.367 12.132 258 2HD PRO 32 1HD PRO 32 3.865 -2.716 12.037 259 H TYR 33 H TYR 33 7.502 -4.372 10.672 260 HA TYR 33 HA TYR 33 10.327 -3.661 10.674 261 1HB TYR 33 2HB TYR 33 9.439 -6.269 9.540 262 2HB TYR 33 1HB TYR 33 10.707 -5.926 10.723 263 HD1 TYR 33 1HD TYR 33 7.446 -7.235 10.285 264 HD2 TYR 33 2HD TYR 33 9.847 -4.984 13.048 265 HE1 TYR 33 1HE TYR 33 5.897 -7.840 12.124 266 HE2 TYR 33 2HE TYR 33 8.298 -5.592 14.886 267 HH TYR 33 HH TYR 33 5.357 -7.499 14.258 268 H PHE 34 H PHE 34 7.929 -3.182 8.406 269 HA PHE 34 HA PHE 34 9.277 -4.066 6.006 270 1HB PHE 34 2HB PHE 34 6.990 -2.228 6.596 271 2HB PHE 34 1HB PHE 34 7.892 -1.879 5.146 272 HD1 PHE 34 1HD PHE 34 8.598 -4.253 3.867 273 HD2 PHE 34 2HD PHE 34 5.074 -3.460 6.184 274 HE1 PHE 34 1HE PHE 34 7.405 -6.067 2.677 275 HE2 PHE 34 2HE PHE 34 3.878 -5.279 4.993 276 HZ PHE 34 HZ PHE 34 5.045 -6.581 3.235 277 H THR 35 H THR 35 11.045 -3.328 5.151 278 HA THR 35 HA THR 35 12.247 -0.921 6.257 279 HB THR 35 HB THR 35 13.644 -1.732 3.922 280 HG1 THR 35 1HG THR 35 12.271 -3.653 4.227 281 1HG2 THR 35 1HG2 THR 35 15.289 -2.404 5.625 282 2HG2 THR 35 2HG2 THR 35 14.036 -2.284 6.861 283 3HG2 THR 35 3HG2 THR 35 14.561 -0.840 5.994 284 H GLN 36 H GLN 36 12.423 1.010 5.274 285 HA GLN 36 HA GLN 36 10.387 1.886 3.578 286 1HB GLN 36 2HB GLN 36 12.032 3.207 5.027 287 2HB GLN 36 1HB GLN 36 13.151 3.081 3.668 288 1HG GLN 36 2HG GLN 36 11.720 5.188 3.716 289 2HG GLN 36 1HG GLN 36 11.680 4.286 2.213 290 1HE2 GLN 36 1HE2 GLN 36 9.554 4.803 1.545 291 2HE2 GLN 36 2HE2 GLN 36 8.172 4.383 2.427 292 H GLU 37 H GLU 37 13.436 0.415 2.825 293 HA GLU 37 HA GLU 37 13.422 1.139 -0.005 294 1HB GLU 37 2HB GLU 37 15.529 0.529 1.094 295 2HB GLU 37 1HB GLU 37 14.898 -1.077 1.468 296 1HG GLU 37 2HG GLU 37 14.798 -1.673 -0.853 297 2HG GLU 37 1HG GLU 37 15.109 -0.011 -1.357 298 H ASP 38 H ASP 38 12.282 -1.647 1.895 299 HA ASP 38 HA ASP 38 11.542 -3.197 -0.450 300 1HB ASP 38 2HB ASP 38 10.476 -3.434 2.381 301 2HB ASP 38 1HB ASP 38 10.421 -4.673 1.121 302 H ILE 39 H ILE 39 9.926 -0.889 1.670 303 HA ILE 39 HA ILE 39 7.277 -1.296 0.567 304 HB ILE 39 HB ILE 39 8.340 1.191 1.929 305 1HG1 ILE 39 2HG1 ILE 39 6.961 -1.049 3.372 306 2HG1 ILE 39 1HG1 ILE 39 8.695 -1.156 3.072 307 1HG2 ILE 39 1HG2 ILE 39 5.638 0.263 2.565 308 2HG2 ILE 39 2HG2 ILE 39 5.843 0.592 0.849 309 3HG2 ILE 39 3HG2 ILE 39 6.177 1.853 2.031 310 1HD1 ILE 39 1HD1 ILE 39 7.337 0.334 5.117 311 2HD1 ILE 39 2HD1 ILE 39 8.125 1.492 4.048 312 3HD1 ILE 39 3HD1 ILE 39 9.073 0.228 4.830 313 H VAL 40 H VAL 40 9.835 1.101 0.046 314 HA VAL 40 HA VAL 40 8.375 2.495 -2.038 315 HB VAL 40 HB VAL 40 10.464 3.709 -2.321 316 1HG1 VAL 40 1HG1 VAL 40 9.028 4.445 -0.573 317 2HG1 VAL 40 2HG1 VAL 40 10.655 4.421 0.107 318 3HG1 VAL 40 3HG1 VAL 40 9.525 3.117 0.472 319 1HG2 VAL 40 1HG2 VAL 40 12.200 2.919 -0.451 320 2HG2 VAL 40 2HG2 VAL 40 12.262 2.343 -2.115 321 3HG2 VAL 40 3HG2 VAL 40 11.492 1.360 -0.875 322 H LYS 41 H LYS 41 11.001 0.041 -2.022 323 HA LYS 41 HA LYS 41 11.369 0.113 -4.859 324 1HB LYS 41 2HB LYS 41 12.860 -1.144 -3.264 325 2HB LYS 41 1HB LYS 41 11.553 -2.302 -3.013 326 1HG LYS 41 2HG LYS 41 12.740 -3.379 -4.696 327 2HG LYS 41 1HG LYS 41 11.608 -2.441 -5.667 328 1HD LYS 41 2HD LYS 41 13.610 -1.883 -6.705 329 2HD LYS 41 1HD LYS 41 13.503 -0.590 -5.512 330 1HE LYS 41 2HE LYS 41 15.714 -1.431 -5.296 331 2HE LYS 41 1HE LYS 41 14.829 -2.150 -3.952 332 1HZ LYS 41 1HZ LYS 41 15.349 -3.454 -6.568 333 2HZ LYS 41 2HZ LYS 41 14.513 -4.147 -5.261 334 3HZ LYS 41 3HZ LYS 41 16.168 -3.790 -5.121 335 H PHE 42 H PHE 42 9.434 -2.075 -2.803 336 HA PHE 42 HA PHE 42 7.960 -3.230 -4.923 337 1HB PHE 42 2HB PHE 42 8.214 -3.919 -2.418 338 2HB PHE 42 1HB PHE 42 6.798 -2.895 -2.157 339 HD1 PHE 42 1HD PHE 42 4.685 -3.915 -2.404 340 HD2 PHE 42 2HD PHE 42 8.051 -5.513 -4.544 341 HE1 PHE 42 1HE PHE 42 3.265 -5.743 -3.294 342 HE2 PHE 42 2HE PHE 42 6.625 -7.334 -5.432 343 HZ PHE 42 HZ PHE 42 4.229 -7.448 -4.806 344 H PHE 43 H PHE 43 7.078 -0.445 -2.786 345 HA PHE 43 HA PHE 43 4.504 -0.008 -3.965 346 1HB PHE 43 2HB PHE 43 5.131 1.153 -1.950 347 2HB PHE 43 1HB PHE 43 6.515 1.890 -2.749 348 HD1 PHE 43 1HD PHE 43 6.100 3.520 -4.677 349 HD2 PHE 43 2HD PHE 43 3.011 2.178 -2.027 350 HE1 PHE 43 1HE PHE 43 4.710 5.466 -5.288 351 HE2 PHE 43 2HE PHE 43 1.639 4.135 -2.642 352 HZ PHE 43 HZ PHE 43 2.482 5.776 -4.288 353 H GLU 44 H GLU 44 7.650 1.338 -4.648 354 HA GLU 44 HA GLU 44 6.966 2.903 -6.949 355 1HB GLU 44 2HB GLU 44 9.521 1.378 -6.324 356 2HB GLU 44 1HB GLU 44 9.357 2.496 -7.668 357 1HG GLU 44 2HG GLU 44 8.570 3.459 -4.943 358 2HG GLU 44 1HG GLU 44 10.290 3.334 -5.325 359 H GLU 45 H GLU 45 7.570 -0.507 -6.450 360 HA GLU 45 HA GLU 45 7.427 -1.294 -9.238 361 1HB GLU 45 2HB GLU 45 8.456 -2.462 -7.060 362 2HB GLU 45 1HB GLU 45 6.854 -3.209 -7.019 363 1HG GLU 45 2HG GLU 45 8.762 -3.200 -9.371 364 2HG GLU 45 1HG GLU 45 8.446 -4.579 -8.321 365 H ILE 46 H ILE 46 5.161 -1.287 -6.485 366 HA ILE 46 HA ILE 46 3.116 -2.631 -8.091 367 HB ILE 46 HB ILE 46 3.587 -2.545 -5.404 368 1HG1 ILE 46 2HG1 ILE 46 1.208 -3.499 -5.250 369 2HG1 ILE 46 1HG1 ILE 46 1.077 -3.137 -6.974 370 1HG2 ILE 46 1HG2 ILE 46 2.712 -0.190 -5.375 371 2HG2 ILE 46 2HG2 ILE 46 1.899 -1.311 -4.285 372 3HG2 ILE 46 3HG2 ILE 46 1.137 -0.851 -5.805 373 1HD1 ILE 46 1HD1 ILE 46 3.548 -4.463 -6.692 374 2HD1 ILE 46 2HD1 ILE 46 2.065 -5.124 -7.380 375 3HD1 ILE 46 3HD1 ILE 46 2.421 -5.356 -5.670 376 H ASP 47 H ASP 47 3.727 0.694 -6.954 377 HA ASP 47 HA ASP 47 1.225 1.733 -7.964 378 1HB ASP 47 2HB ASP 47 2.687 3.032 -6.413 379 2HB ASP 47 1HB ASP 47 3.920 3.122 -7.675 380 H VAL 48 H VAL 48 1.170 0.433 -10.038 381 HA VAL 48 HA VAL 48 3.207 0.708 -12.020 382 HB VAL 48 HB VAL 48 1.697 -1.196 -11.825 383 1HG1 VAL 48 1HG1 VAL 48 -0.651 0.342 -12.796 384 2HG1 VAL 48 2HG1 VAL 48 -0.214 0.560 -11.104 385 3HG1 VAL 48 3HG1 VAL 48 -0.583 -1.051 -11.717 386 1HG2 VAL 48 1HG2 VAL 48 1.155 -1.426 -14.135 387 2HG2 VAL 48 2HG2 VAL 48 2.505 -0.291 -14.122 388 3HG2 VAL 48 3HG2 VAL 48 0.854 0.302 -14.312 389 H ASP 49 H ASP 49 0.342 2.526 -11.264 390 HA ASP 49 HA ASP 49 0.069 3.614 -13.940 391 1HB ASP 49 2HB ASP 49 -1.978 3.955 -13.102 392 2HB ASP 49 1HB ASP 49 -1.409 3.620 -11.468 393 H GLY 50 H GLY 50 2.077 4.263 -11.278 394 1HA GLY 50 2HA GLY 50 3.749 5.782 -11.037 395 2HA GLY 50 1HA GLY 50 3.485 6.286 -12.701 396 H ASN 51 H ASN 51 0.647 6.554 -10.807 397 HA ASN 51 HA ASN 51 0.821 9.471 -10.938 398 1HB ASN 51 2HB ASN 51 -1.345 8.209 -11.239 399 2HB ASN 51 1HB ASN 51 -1.263 7.772 -9.527 400 1HD2 ASN 51 1HD2 ASN 51 -2.515 9.150 -8.274 401 2HD2 ASN 51 2HD2 ASN 51 -2.750 10.804 -8.574 402 H GLY 52 H GLY 52 2.381 7.393 -9.141 403 1HA GLY 52 2HA GLY 52 3.595 7.720 -7.146 404 2HA GLY 52 1HA GLY 52 2.749 9.254 -6.945 405 H GLU 53 H GLU 53 0.747 6.524 -7.543 406 HA GLU 53 HA GLU 53 0.304 6.043 -4.651 407 1HB GLU 53 2HB GLU 53 -2.181 6.422 -6.224 408 2HB GLU 53 1HB GLU 53 -1.844 6.899 -4.563 409 1HG GLU 53 2HG GLU 53 -0.448 8.777 -5.415 410 2HG GLU 53 1HG GLU 53 -0.881 8.321 -7.064 411 H LEU 54 H LEU 54 -0.943 4.148 -4.198 412 HA LEU 54 HA LEU 54 -0.508 2.028 -6.159 413 1HB LEU 54 2HB LEU 54 -1.958 2.111 -3.508 414 2HB LEU 54 1HB LEU 54 -1.639 0.685 -4.415 415 HG LEU 54 HG LEU 54 0.199 0.487 -3.170 416 1HD1 LEU 54 1HD1 LEU 54 1.293 2.898 -4.590 417 2HD1 LEU 54 2HD1 LEU 54 1.133 1.334 -5.371 418 3HD1 LEU 54 3HD1 LEU 54 2.176 1.505 -3.976 419 1HD2 LEU 54 1HD2 LEU 54 1.021 2.389 -1.823 420 2HD2 LEU 54 2HD2 LEU 54 -0.685 2.041 -1.616 421 3HD2 LEU 54 3HD2 LEU 54 -0.183 3.399 -2.620 422 H ASN 55 H ASN 55 -2.094 1.164 -7.461 423 HA ASN 55 HA ASN 55 -4.728 2.533 -7.404 424 1HB ASN 55 2HB ASN 55 -4.869 0.595 -9.407 425 2HB ASN 55 1HB ASN 55 -4.516 2.301 -9.648 426 1HD2 ASN 55 1HD2 ASN 55 -3.469 -0.304 -10.934 427 2HD2 ASN 55 2HD2 ASN 55 -1.788 -0.130 -10.878 428 H ALA 56 H ALA 56 -6.573 0.859 -7.948 429 HA ALA 56 HA ALA 56 -6.940 -0.667 -5.610 430 1HB ALA 56 1HB ALA 56 -8.457 -1.130 -8.150 431 2HB ALA 56 2HB ALA 56 -8.674 0.325 -7.179 432 3HB ALA 56 3HB ALA 56 -9.040 -1.256 -6.490 433 H ASP 57 H ASP 57 -6.504 -2.067 -8.897 434 HA ASP 57 HA ASP 57 -6.289 -4.747 -7.944 435 1HB ASP 57 2HB ASP 57 -6.596 -4.277 -10.321 436 2HB ASP 57 1HB ASP 57 -5.036 -3.456 -10.388 437 H GLU 58 H GLU 58 -4.021 -2.137 -8.047 438 HA GLU 58 HA GLU 58 -1.700 -3.808 -7.552 439 1HB GLU 58 2HB GLU 58 -2.121 -0.809 -7.473 440 2HB GLU 58 1HB GLU 58 -0.595 -1.554 -7.030 441 1HG GLU 58 2HG GLU 58 -2.010 -1.877 -9.686 442 2HG GLU 58 1HG GLU 58 -0.595 -0.872 -9.394 443 H PHE 59 H PHE 59 -4.135 -2.174 -5.655 444 HA PHE 59 HA PHE 59 -2.836 -2.214 -3.104 445 1HB PHE 59 2HB PHE 59 -5.713 -3.089 -3.561 446 2HB PHE 59 1HB PHE 59 -5.005 -2.478 -2.099 447 HD1 PHE 59 1HD PHE 59 -7.514 -1.539 -3.385 448 HD2 PHE 59 2HD PHE 59 -3.454 -0.216 -3.706 449 HE1 PHE 59 1HE PHE 59 -8.305 0.727 -3.969 450 HE2 PHE 59 2HE PHE 59 -4.243 2.037 -4.290 451 HZ PHE 59 HZ PHE 59 -6.673 2.493 -4.459 452 H THR 60 H THR 60 -4.608 -4.673 -4.994 453 HA THR 60 HA THR 60 -4.530 -6.723 -2.999 454 HB THR 60 HB THR 60 -5.262 -8.172 -4.738 455 HG1 THR 60 1HG THR 60 -5.022 -6.831 -6.943 456 1HG2 THR 60 1HG2 THR 60 -6.150 -5.398 -5.551 457 2HG2 THR 60 2HG2 THR 60 -6.741 -6.223 -4.108 458 3HG2 THR 60 3HG2 THR 60 -7.061 -6.901 -5.705 459 H SER 61 H SER 61 -2.391 -6.008 -5.754 460 HA SER 61 HA SER 61 -0.590 -8.190 -5.046 461 1HB SER 61 2HB SER 61 -0.776 -7.283 -7.366 462 2HB SER 61 1HB SER 61 -0.086 -5.765 -6.798 463 HG SER 61 HG SER 61 1.106 -8.342 -6.812 464 H CYS 62 H CYS 62 -1.127 -4.976 -3.933 465 HA CYS 62 HA CYS 62 1.595 -4.486 -2.967 466 1HB CYS 62 2HB CYS 62 -0.051 -2.643 -3.459 467 2HB CYS 62 1HB CYS 62 -1.010 -3.206 -2.092 468 HG CYS 62 HG CYS 62 0.699 -1.301 -1.325 469 H ILE 63 H ILE 63 -1.476 -5.695 -1.774 470 HA ILE 63 HA ILE 63 -0.399 -6.215 0.900 471 HB ILE 63 HB ILE 63 -3.022 -6.661 -0.498 472 1HG1 ILE 63 2HG1 ILE 63 -3.876 -5.228 1.135 473 2HG1 ILE 63 1HG1 ILE 63 -2.600 -5.601 2.288 474 1HG2 ILE 63 1HG2 ILE 63 -2.041 -8.064 1.987 475 2HG2 ILE 63 2HG2 ILE 63 -2.821 -8.768 0.570 476 3HG2 ILE 63 3HG2 ILE 63 -3.759 -7.786 1.697 477 1HD1 ILE 63 1HD1 ILE 63 -1.035 -4.243 1.153 478 2HD1 ILE 63 2HD1 ILE 63 -2.526 -3.306 1.124 479 3HD1 ILE 63 3HD1 ILE 63 -2.019 -4.193 -0.309 480 H GLU 64 H GLU 64 -1.088 -8.062 -2.132 481 HA GLU 64 HA GLU 64 -0.722 -10.621 -1.182 482 1HB GLU 64 2HB GLU 64 -1.210 -9.839 -3.578 483 2HB GLU 64 1HB GLU 64 0.533 -9.619 -3.741 484 1HG GLU 64 2HG GLU 64 0.837 -12.005 -3.022 485 2HG GLU 64 1HG GLU 64 -0.917 -12.192 -3.072 486 H LYS 65 H LYS 65 1.707 -8.004 -1.514 487 HA LYS 65 HA LYS 65 4.034 -9.598 -1.516 488 1HB LYS 65 2HB LYS 65 3.843 -7.039 -1.395 489 2HB LYS 65 1HB LYS 65 3.639 -7.243 0.345 490 1HG LYS 65 2HG LYS 65 5.825 -7.775 0.667 491 2HG LYS 65 1HG LYS 65 5.888 -8.762 -0.791 492 1HD LYS 65 2HD LYS 65 6.159 -6.845 -2.191 493 2HD LYS 65 1HD LYS 65 5.818 -5.749 -0.857 494 1HE LYS 65 2HE LYS 65 8.303 -7.324 -1.445 495 2HE LYS 65 1HE LYS 65 8.148 -5.654 -0.906 496 1HZ LYS 65 1HZ LYS 65 8.824 -6.642 1.010 497 2HZ LYS 65 2HZ LYS 65 8.087 -8.131 0.653 498 3HZ LYS 65 3HZ LYS 65 7.149 -6.823 1.194 499 H MET 66 H MET 66 1.461 -9.581 0.642 500 HA MET 66 HA MET 66 2.605 -11.617 2.335 501 1HB MET 66 2HB MET 66 2.436 -8.801 3.225 502 2HB MET 66 1HB MET 66 1.577 -9.917 4.287 503 1HG MET 66 2HG MET 66 4.398 -10.471 3.362 504 2HG MET 66 1HG MET 66 4.066 -9.504 4.799 505 1HE MET 66 1HE MET 66 5.824 -11.892 5.145 506 2HE MET 66 2HE MET 66 5.164 -12.700 3.727 507 3HE MET 66 3HE MET 66 5.104 -13.500 5.295 508 H LEU 67 H LEU 67 0.542 -11.696 4.181 509 HA LEU 67 HA LEU 67 -1.681 -12.377 4.348 510 1HB LEU 67 2HB LEU 67 -1.768 -9.796 3.754 511 2HB LEU 67 1HB LEU 67 -2.404 -10.381 2.220 512 HG LEU 67 HG LEU 67 -4.282 -9.944 3.681 513 1HD1 LEU 67 1HD1 LEU 67 -5.377 -12.057 3.601 514 2HD1 LEU 67 2HD1 LEU 67 -3.858 -12.937 3.770 515 3HD1 LEU 67 3HD1 LEU 67 -4.218 -12.075 2.273 516 1HD2 LEU 67 1HD2 LEU 67 -2.634 -10.416 5.767 517 2HD2 LEU 67 2HD2 LEU 67 -3.453 -11.976 5.709 518 3HD2 LEU 67 3HD2 LEU 67 -4.389 -10.497 5.914 Start of MODEL 13 1 HA SER 1 HA SER 1 -7.537 -11.368 0.171 2 1HB SER 1 2HB SER 1 -10.078 -10.933 -1.420 3 2HB SER 1 1HB SER 1 -8.427 -10.569 -1.918 4 HG SER 1 HG SER 1 -9.760 -13.021 -1.716 5 H SER 2 H SER 2 -8.054 -10.338 2.442 6 HA SER 2 HA SER 2 -9.932 -8.104 2.422 7 1HB SER 2 2HB SER 2 -7.830 -7.986 4.464 8 2HB SER 2 1HB SER 2 -9.578 -8.106 4.662 9 HG SER 2 HG SER 2 -8.116 -9.957 5.313 10 H ALA 3 H ALA 3 -7.928 -8.035 0.286 11 HA ALA 3 HA ALA 3 -5.943 -6.060 1.093 12 1HB ALA 3 1HB ALA 3 -5.253 -6.063 -1.214 13 2HB ALA 3 2HB ALA 3 -6.756 -6.832 -1.716 14 3HB ALA 3 3HB ALA 3 -5.582 -7.731 -0.752 15 H LYS 4 H LYS 4 -9.083 -6.009 -0.524 16 HA LYS 4 HA LYS 4 -8.869 -3.144 -1.116 17 1HB LYS 4 2HB LYS 4 -10.255 -4.361 -2.624 18 2HB LYS 4 1HB LYS 4 -11.108 -5.171 -1.314 19 1HG LYS 4 2HG LYS 4 -12.483 -3.371 -0.911 20 2HG LYS 4 1HG LYS 4 -11.232 -2.194 -1.307 21 1HD LYS 4 2HD LYS 4 -12.383 -3.915 -3.490 22 2HD LYS 4 1HD LYS 4 -13.280 -2.506 -2.930 23 1HE LYS 4 2HE LYS 4 -10.371 -2.341 -3.738 24 2HE LYS 4 1HE LYS 4 -11.683 -2.115 -4.893 25 1HZ LYS 4 1HZ LYS 4 -11.402 0.014 -4.199 26 2HZ LYS 4 2HZ LYS 4 -10.863 -0.427 -2.649 27 3HZ LYS 4 3HZ LYS 4 -12.519 -0.489 -3.026 28 H ARG 5 H ARG 5 -10.266 -5.252 1.327 29 HA ARG 5 HA ARG 5 -11.777 -3.319 2.787 30 1HB ARG 5 2HB ARG 5 -11.716 -5.863 3.107 31 2HB ARG 5 1HB ARG 5 -10.200 -5.609 3.984 32 1HG ARG 5 2HG ARG 5 -11.743 -3.775 5.240 33 2HG ARG 5 1HG ARG 5 -12.996 -4.927 4.782 34 1HD ARG 5 2HD ARG 5 -12.231 -5.637 6.928 35 2HD ARG 5 1HD ARG 5 -11.487 -6.743 5.772 36 HE ARG 5 HE ARG 5 -9.607 -4.728 6.058 37 1HH1 ARG 5 1HH2 ARG 5 -11.383 -6.807 8.158 38 2HH1 ARG 5 2HH2 ARG 5 -10.142 -6.868 9.366 39 1HH2 ARG 5 1HH1 ARG 5 -7.978 -4.794 7.623 40 2HH2 ARG 5 2HH1 ARG 5 -8.214 -5.727 9.062 41 H VAL 6 H VAL 6 -8.451 -4.510 3.258 42 HA VAL 6 HA VAL 6 -7.772 -2.744 5.370 43 HB VAL 6 HB VAL 6 -6.541 -4.826 4.057 44 1HG1 VAL 6 1HG1 VAL 6 -4.327 -3.820 3.307 45 2HG1 VAL 6 2HG1 VAL 6 -5.172 -2.280 3.203 46 3HG1 VAL 6 3HG1 VAL 6 -5.693 -3.637 2.210 47 1HG2 VAL 6 1HG2 VAL 6 -5.611 -2.812 6.079 48 2HG2 VAL 6 2HG2 VAL 6 -4.466 -4.014 5.484 49 3HG2 VAL 6 3HG2 VAL 6 -5.950 -4.528 6.285 50 H PHE 7 H PHE 7 -7.510 -2.430 1.875 51 HA PHE 7 HA PHE 7 -6.184 0.105 1.820 52 1HB PHE 7 2HB PHE 7 -6.367 -1.046 -0.263 53 2HB PHE 7 1HB PHE 7 -8.113 -1.189 -0.114 54 HD1 PHE 7 1HD PHE 7 -6.921 2.081 0.919 55 HD2 PHE 7 2HD PHE 7 -7.966 -0.266 -2.523 56 HE1 PHE 7 1HE PHE 7 -7.285 4.133 -0.373 57 HE2 PHE 7 2HE PHE 7 -8.273 1.816 -3.806 58 HZ PHE 7 HZ PHE 7 -7.973 4.011 -2.718 59 H GLU 8 H GLU 8 -9.706 -0.655 1.902 60 HA GLU 8 HA GLU 8 -10.681 1.979 1.866 61 1HB GLU 8 2HB GLU 8 -11.614 -0.448 3.418 62 2HB GLU 8 1HB GLU 8 -12.500 1.078 3.429 63 1HG GLU 8 2HG GLU 8 -12.882 0.982 1.071 64 2HG GLU 8 1HG GLU 8 -11.727 -0.340 0.870 65 H LYS 9 H LYS 9 -9.637 0.085 4.695 66 HA LYS 9 HA LYS 9 -9.958 2.064 6.669 67 1HB LYS 9 2HB LYS 9 -8.144 -0.288 6.329 68 2HB LYS 9 1HB LYS 9 -7.753 0.866 7.602 69 1HG LYS 9 2HG LYS 9 -9.252 -1.035 8.340 70 2HG LYS 9 1HG LYS 9 -9.919 0.575 8.631 71 1HD LYS 9 2HD LYS 9 -11.505 0.378 6.944 72 2HD LYS 9 1HD LYS 9 -10.539 -0.776 6.026 73 1HE LYS 9 2HE LYS 9 -11.051 -2.551 7.569 74 2HE LYS 9 1HE LYS 9 -11.795 -1.425 8.704 75 1HZ LYS 9 1HZ LYS 9 -12.777 -2.087 5.981 76 2HZ LYS 9 2HZ LYS 9 -13.465 -0.917 7.003 77 3HZ LYS 9 3HZ LYS 9 -13.486 -2.557 7.448 78 H PHE 10 H PHE 10 -7.295 1.599 4.368 79 HA PHE 10 HA PHE 10 -5.860 3.931 5.477 80 1HB PHE 10 2HB PHE 10 -5.141 2.324 3.047 81 2HB PHE 10 1HB PHE 10 -4.076 3.309 4.058 82 HD1 PHE 10 1HD PHE 10 -4.434 0.068 3.316 83 HD2 PHE 10 2HD PHE 10 -4.817 2.589 6.777 84 HE1 PHE 10 1HE PHE 10 -3.958 -1.869 4.796 85 HE2 PHE 10 2HE PHE 10 -4.356 0.649 8.243 86 HZ PHE 10 HZ PHE 10 -3.929 -1.580 7.252 87 H ASP 11 H ASP 11 -8.145 3.282 2.899 88 HA ASP 11 HA ASP 11 -7.307 5.311 1.125 89 1HB ASP 11 2HB ASP 11 -9.437 5.198 0.149 90 2HB ASP 11 1HB ASP 11 -9.333 3.631 0.947 91 H LYS 12 H LYS 12 -6.372 6.756 2.504 92 HA LYS 12 HA LYS 12 -7.957 8.355 4.374 93 1HB LYS 12 2HB LYS 12 -5.867 8.491 5.227 94 2HB LYS 12 1HB LYS 12 -5.208 7.758 3.762 95 1HG LYS 12 2HG LYS 12 -5.132 9.948 2.670 96 2HG LYS 12 1HG LYS 12 -5.835 10.699 4.105 97 1HD LYS 12 2HD LYS 12 -3.911 10.425 5.367 98 2HD LYS 12 1HD LYS 12 -3.399 9.009 4.446 99 1HE LYS 12 2HE LYS 12 -2.377 10.276 2.814 100 2HE LYS 12 1HE LYS 12 -3.530 11.600 2.971 101 1HZ LYS 12 1HZ LYS 12 -1.002 11.515 4.013 102 2HZ LYS 12 2HZ LYS 12 -2.008 11.229 5.352 103 3HZ LYS 12 3HZ LYS 12 -2.217 12.628 4.413 104 H ASN 13 H ASN 13 -7.443 8.286 1.071 105 HA ASN 13 HA ASN 13 -8.156 11.150 0.759 106 1HB ASN 13 2HB ASN 13 -5.904 10.588 -0.159 107 2HB ASN 13 1HB ASN 13 -6.660 9.361 -1.187 108 1HD2 ASN 13 1HD2 ASN 13 -8.834 11.845 -0.754 109 2HD2 ASN 13 2HD2 ASN 13 -8.524 12.706 -2.163 110 H LYS 14 H LYS 14 -9.575 8.388 1.013 111 HA LYS 14 HA LYS 14 -11.213 7.109 -0.281 112 1HB LYS 14 2HB LYS 14 -12.527 9.810 -0.503 113 2HB LYS 14 1HB LYS 14 -13.241 8.257 -0.076 114 1HG LYS 14 2HG LYS 14 -11.887 8.321 2.058 115 2HG LYS 14 1HG LYS 14 -11.437 9.975 1.644 116 1HD LYS 14 2HD LYS 14 -13.804 10.630 1.604 117 2HD LYS 14 1HD LYS 14 -14.281 8.973 1.970 118 1HE LYS 14 2HE LYS 14 -12.728 9.237 4.051 119 2HE LYS 14 1HE LYS 14 -12.887 10.967 3.744 120 1HZ LYS 14 1HZ LYS 14 -15.432 9.987 3.536 121 2HZ LYS 14 2HZ LYS 14 -14.790 10.843 4.855 122 3HZ LYS 14 3HZ LYS 14 -14.779 9.144 4.856 123 H ASP 15 H ASP 15 -9.244 7.598 -1.909 124 HA ASP 15 HA ASP 15 -10.356 8.873 -4.364 125 1HB ASP 15 2HB ASP 15 -8.089 9.579 -3.332 126 2HB ASP 15 1HB ASP 15 -7.475 8.063 -4.002 127 H GLY 16 H GLY 16 -9.033 5.757 -3.128 128 1HA GLY 16 2HA GLY 16 -9.678 3.703 -4.205 129 2HA GLY 16 1HA GLY 16 -9.887 4.598 -5.720 130 H LYS 17 H LYS 17 -7.344 5.672 -3.856 131 HA LYS 17 HA LYS 17 -5.323 3.848 -4.877 132 1HB LYS 17 2HB LYS 17 -5.184 6.758 -5.598 133 2HB LYS 17 1HB LYS 17 -4.004 5.498 -5.924 134 1HG LYS 17 2HG LYS 17 -5.061 5.448 -7.965 135 2HG LYS 17 1HG LYS 17 -6.140 4.361 -7.104 136 1HD LYS 17 2HD LYS 17 -7.605 5.920 -8.102 137 2HD LYS 17 1HD LYS 17 -7.442 6.510 -6.443 138 1HE LYS 17 2HE LYS 17 -7.035 8.474 -7.613 139 2HE LYS 17 1HE LYS 17 -5.390 7.845 -7.482 140 1HZ LYS 17 1HZ LYS 17 -5.288 7.777 -9.676 141 2HZ LYS 17 2HZ LYS 17 -6.884 8.350 -9.801 142 3HZ LYS 17 3HZ LYS 17 -6.582 6.679 -9.719 143 H LEU 18 H LEU 18 -3.490 3.949 -3.782 144 HA LEU 18 HA LEU 18 -3.389 5.738 -1.409 145 1HB LEU 18 2HB LEU 18 -2.941 2.917 -1.728 146 2HB LEU 18 1HB LEU 18 -1.665 3.739 -0.914 147 HG LEU 18 HG LEU 18 -3.321 4.802 0.553 148 1HD1 LEU 18 1HD1 LEU 18 -5.232 4.457 -1.023 149 2HD1 LEU 18 2HD1 LEU 18 -5.534 4.026 0.661 150 3HD1 LEU 18 3HD1 LEU 18 -5.200 2.766 -0.518 151 1HD2 LEU 18 1HD2 LEU 18 -3.270 2.993 1.984 152 2HD2 LEU 18 2HD2 LEU 18 -2.019 2.555 0.832 153 3HD2 LEU 18 3HD2 LEU 18 -3.629 1.850 0.702 154 H SER 19 H SER 19 -1.342 6.374 -0.733 155 HA SER 19 HA SER 19 0.612 6.654 -2.954 156 1HB SER 19 2HB SER 19 0.716 8.161 -0.383 157 2HB SER 19 1HB SER 19 1.288 8.664 -1.974 158 HG SER 19 HG SER 19 -1.341 8.190 -2.075 159 H LEU 20 H LEU 20 2.837 6.173 -2.401 160 HA LEU 20 HA LEU 20 3.256 3.927 -0.791 161 1HB LEU 20 2HB LEU 20 4.855 5.029 -2.457 162 2HB LEU 20 1HB LEU 20 5.229 6.191 -1.196 163 HG LEU 20 HG LEU 20 6.647 3.987 -1.570 164 1HD1 LEU 20 1HD1 LEU 20 5.920 5.363 0.977 165 2HD1 LEU 20 2HD1 LEU 20 7.337 5.605 -0.034 166 3HD1 LEU 20 3HD1 LEU 20 7.172 4.126 0.916 167 1HD2 LEU 20 1HD2 LEU 20 4.478 2.650 -0.984 168 2HD2 LEU 20 2HD2 LEU 20 4.876 3.061 0.664 169 3HD2 LEU 20 3HD2 LEU 20 6.003 2.127 -0.316 170 H ASP 21 H ASP 21 2.773 7.144 -0.148 171 HA ASP 21 HA ASP 21 3.777 7.331 2.542 172 1HB ASP 21 2HB ASP 21 1.381 8.920 1.686 173 2HB ASP 21 1HB ASP 21 2.795 9.436 2.604 174 H GLU 22 H GLU 22 0.452 6.547 1.199 175 HA GLU 22 HA GLU 22 -0.593 6.099 3.835 176 1HB GLU 22 2HB GLU 22 -1.550 5.444 1.069 177 2HB GLU 22 1HB GLU 22 -2.416 4.910 2.508 178 1HG GLU 22 2HG GLU 22 -3.253 7.089 1.601 179 2HG GLU 22 1HG GLU 22 -2.685 7.182 3.267 180 H PHE 23 H PHE 23 0.734 4.016 1.306 181 HA PHE 23 HA PHE 23 0.234 1.567 2.703 182 1HB PHE 23 2HB PHE 23 0.563 1.570 0.295 183 2HB PHE 23 1HB PHE 23 2.185 2.168 0.533 184 HD1 PHE 23 1HD PHE 23 0.029 -0.754 0.644 185 HD2 PHE 23 2HD PHE 23 3.880 0.796 1.693 186 HE1 PHE 23 1HE PHE 23 0.863 -3.063 0.990 187 HE2 PHE 23 2HE PHE 23 4.726 -1.513 2.034 188 HZ PHE 23 HZ PHE 23 3.212 -3.446 1.685 189 H ARG 24 H ARG 24 2.712 4.053 2.827 190 HA ARG 24 HA ARG 24 4.704 2.375 4.184 191 1HB ARG 24 2HB ARG 24 5.503 4.232 2.849 192 2HB ARG 24 1HB ARG 24 4.473 5.363 3.726 193 1HG ARG 24 2HG ARG 24 5.704 4.901 5.779 194 2HG ARG 24 1HG ARG 24 6.722 3.740 4.936 195 1HD ARG 24 2HD ARG 24 7.930 5.831 5.051 196 2HD ARG 24 1HD ARG 24 7.403 5.597 3.388 197 HE ARG 24 HE ARG 24 5.356 7.077 4.514 198 1HH1 ARG 24 1HH2 ARG 24 8.786 7.336 4.274 199 2HH1 ARG 24 2HH2 ARG 24 8.787 9.068 4.266 200 1HH2 ARG 24 1HH1 ARG 24 5.338 9.336 4.503 201 2HH2 ARG 24 2HH1 ARG 24 6.836 10.201 4.395 202 H GLU 25 H GLU 25 2.090 4.491 4.927 203 HA GLU 25 HA GLU 25 2.635 4.642 7.813 204 1HB GLU 25 2HB GLU 25 1.257 6.415 6.870 205 2HB GLU 25 1HB GLU 25 0.164 5.238 6.137 206 1HG GLU 25 2HG GLU 25 -0.746 4.600 8.213 207 2HG GLU 25 1HG GLU 25 0.612 5.278 9.109 208 H VAL 26 H VAL 26 0.828 2.855 5.493 209 HA VAL 26 HA VAL 26 -0.656 1.019 7.103 210 HB VAL 26 HB VAL 26 0.294 1.418 4.355 211 1HG1 VAL 26 1HG1 VAL 26 0.983 -0.822 4.368 212 2HG1 VAL 26 2HG1 VAL 26 -0.616 -0.833 3.628 213 3HG1 VAL 26 3HG1 VAL 26 -0.423 -1.321 5.311 214 1HG2 VAL 26 1HG2 VAL 26 -2.064 0.753 3.840 215 2HG2 VAL 26 2HG2 VAL 26 -1.840 2.217 4.798 216 3HG2 VAL 26 3HG2 VAL 26 -2.302 0.712 5.585 217 H ALA 27 H ALA 27 2.477 0.934 5.531 218 HA ALA 27 HA ALA 27 3.073 -1.763 6.319 219 1HB ALA 27 1HB ALA 27 3.940 -0.683 4.239 220 2HB ALA 27 2HB ALA 27 5.216 -1.386 5.232 221 3HB ALA 27 3HB ALA 27 4.946 0.356 5.246 222 H LEU 28 H LEU 28 4.098 1.426 7.336 223 HA LEU 28 HA LEU 28 5.940 0.479 9.366 224 1HB LEU 28 2HB LEU 28 4.693 3.134 8.732 225 2HB LEU 28 1HB LEU 28 5.579 2.916 10.239 226 HG LEU 28 HG LEU 28 7.620 2.581 9.164 227 1HD1 LEU 28 1HD1 LEU 28 7.720 2.111 6.642 228 2HD1 LEU 28 2HD1 LEU 28 6.000 1.759 6.747 229 3HD1 LEU 28 3HD1 LEU 28 7.154 0.792 7.660 230 1HD2 LEU 28 1HD2 LEU 28 7.356 4.817 8.692 231 2HD2 LEU 28 2HD2 LEU 28 5.893 4.563 7.750 232 3HD2 LEU 28 3HD2 LEU 28 7.469 4.212 7.044 233 H ALA 29 H ALA 29 2.498 1.278 9.300 234 HA ALA 29 HA ALA 29 2.212 1.264 12.186 235 1HB ALA 29 1HB ALA 29 0.692 2.543 10.757 236 2HB ALA 29 2HB ALA 29 -0.211 1.303 11.628 237 3HB ALA 29 3HB ALA 29 0.199 1.065 9.929 238 H PHE 30 H PHE 30 0.945 -0.931 9.653 239 HA PHE 30 HA PHE 30 0.220 -2.964 11.564 240 1HB PHE 30 2HB PHE 30 -0.552 -2.456 9.042 241 2HB PHE 30 1HB PHE 30 0.661 -3.694 8.701 242 HD1 PHE 30 1HD PHE 30 -2.730 -3.227 9.331 243 HD2 PHE 30 2HD PHE 30 0.549 -5.743 10.506 244 HE1 PHE 30 1HE PHE 30 -4.330 -4.990 10.020 245 HE2 PHE 30 2HE PHE 30 -1.053 -7.506 11.195 246 HZ PHE 30 HZ PHE 30 -3.493 -7.130 10.953 247 H SER 31 H SER 31 2.870 -2.806 9.158 248 HA SER 31 HA SER 31 4.295 -4.884 10.782 249 1HB SER 31 2HB SER 31 3.742 -5.976 8.762 250 2HB SER 31 1HB SER 31 4.063 -4.537 7.798 251 HG SER 31 HG SER 31 5.863 -6.311 9.048 252 HA PRO 32 HA PRO 32 6.728 -0.918 10.723 253 1HB PRO 32 2HB PRO 32 7.982 -1.508 13.142 254 2HB PRO 32 1HB PRO 32 6.502 -0.543 12.966 255 1HG PRO 32 2HG PRO 32 6.823 -3.401 13.721 256 2HG PRO 32 1HG PRO 32 5.655 -2.197 14.301 257 1HD PRO 32 2HD PRO 32 4.972 -4.124 12.523 258 2HD PRO 32 1HD PRO 32 4.228 -2.509 12.489 259 H TYR 33 H TYR 33 7.562 -4.279 10.779 260 HA TYR 33 HA TYR 33 10.434 -3.867 10.742 261 1HB TYR 33 2HB TYR 33 8.955 -6.294 9.714 262 2HB TYR 33 1HB TYR 33 10.586 -6.214 10.389 263 HD1 TYR 33 1HD TYR 33 10.683 -5.126 12.844 264 HD2 TYR 33 2HD TYR 33 7.253 -7.057 11.118 265 HE1 TYR 33 1HE TYR 33 9.773 -5.540 15.113 266 HE2 TYR 33 2HE TYR 33 6.346 -7.470 13.387 267 HH TYR 33 HH TYR 33 7.937 -7.533 16.020 268 H PHE 34 H PHE 34 7.974 -3.391 8.415 269 HA PHE 34 HA PHE 34 9.439 -4.209 6.061 270 1HB PHE 34 2HB PHE 34 6.966 -2.679 6.574 271 2HB PHE 34 1HB PHE 34 7.910 -2.012 5.270 272 HD1 PHE 34 1HD PHE 34 8.559 -3.444 3.307 273 HD2 PHE 34 2HD PHE 34 5.790 -4.735 6.319 274 HE1 PHE 34 1HE PHE 34 7.739 -5.226 1.791 275 HE2 PHE 34 2HE PHE 34 4.971 -6.523 4.808 276 HZ PHE 34 HZ PHE 34 5.946 -6.768 2.544 277 H THR 35 H THR 35 11.202 -3.380 5.278 278 HA THR 35 HA THR 35 12.223 -0.901 6.404 279 HB THR 35 HB THR 35 13.775 -1.647 4.151 280 HG1 THR 35 1HG THR 35 12.868 -3.819 5.736 281 1HG2 THR 35 1HG2 THR 35 14.539 -0.715 6.270 282 2HG2 THR 35 2HG2 THR 35 15.361 -2.241 5.936 283 3HG2 THR 35 3HG2 THR 35 14.042 -2.186 7.107 284 H GLN 36 H GLN 36 12.350 1.026 5.429 285 HA GLN 36 HA GLN 36 10.370 1.830 3.643 286 1HB GLN 36 2HB GLN 36 11.903 3.228 5.125 287 2HB GLN 36 1HB GLN 36 13.096 3.101 3.832 288 1HG GLN 36 2HG GLN 36 11.638 5.169 3.719 289 2HG GLN 36 1HG GLN 36 11.649 4.201 2.258 290 1HE2 GLN 36 1HE2 GLN 36 9.535 4.669 1.510 291 2HE2 GLN 36 2HE2 GLN 36 8.132 4.281 2.377 292 H GLU 37 H GLU 37 13.482 0.430 2.998 293 HA GLU 37 HA GLU 37 13.501 1.143 0.156 294 1HB GLU 37 2HB GLU 37 15.379 0.091 1.960 295 2HB GLU 37 1HB GLU 37 15.072 -1.240 0.848 296 1HG GLU 37 2HG GLU 37 16.845 0.021 -0.132 297 2HG GLU 37 1HG GLU 37 15.398 0.452 -1.044 298 H ASP 38 H ASP 38 12.460 -1.635 2.096 299 HA ASP 38 HA ASP 38 11.817 -3.285 -0.209 300 1HB ASP 38 2HB ASP 38 10.834 -3.439 2.662 301 2HB ASP 38 1HB ASP 38 10.621 -4.697 1.437 302 H ILE 39 H ILE 39 10.047 -1.045 1.881 303 HA ILE 39 HA ILE 39 7.432 -1.543 0.772 304 HB ILE 39 HB ILE 39 8.460 1.030 2.005 305 1HG1 ILE 39 2HG1 ILE 39 7.115 -1.205 3.505 306 2HG1 ILE 39 1HG1 ILE 39 8.866 -1.176 3.307 307 1HG2 ILE 39 1HG2 ILE 39 5.910 0.215 1.016 308 2HG2 ILE 39 2HG2 ILE 39 6.315 1.704 1.869 309 3HG2 ILE 39 3HG2 ILE 39 5.798 0.288 2.774 310 1HD1 ILE 39 1HD1 ILE 39 7.352 0.206 5.257 311 2HD1 ILE 39 2HD1 ILE 39 7.906 1.444 4.133 312 3HD1 ILE 39 3HD1 ILE 39 9.074 0.391 4.933 313 H VAL 40 H VAL 40 9.894 0.898 0.149 314 HA VAL 40 HA VAL 40 8.403 2.171 -1.984 315 HB VAL 40 HB VAL 40 10.452 3.445 -2.315 316 1HG1 VAL 40 1HG1 VAL 40 10.574 4.268 0.075 317 2HG1 VAL 40 2HG1 VAL 40 9.513 2.922 0.493 318 3HG1 VAL 40 3HG1 VAL 40 8.955 4.172 -0.615 319 1HG2 VAL 40 1HG2 VAL 40 12.285 2.126 -2.041 320 2HG2 VAL 40 2HG2 VAL 40 11.549 1.212 -0.730 321 3HG2 VAL 40 3HG2 VAL 40 12.210 2.823 -0.425 322 H LYS 41 H LYS 41 11.046 -0.253 -1.895 323 HA LYS 41 HA LYS 41 11.504 -0.221 -4.714 324 1HB LYS 41 2HB LYS 41 12.899 -1.531 -3.088 325 2HB LYS 41 1HB LYS 41 11.530 -2.622 -2.837 326 1HG LYS 41 2HG LYS 41 11.553 -3.210 -5.231 327 2HG LYS 41 1HG LYS 41 12.910 -2.114 -5.492 328 1HD LYS 41 2HD LYS 41 14.365 -3.438 -4.133 329 2HD LYS 41 1HD LYS 41 13.020 -4.393 -3.507 330 1HE LYS 41 2HE LYS 41 13.619 -4.329 -6.461 331 2HE LYS 41 1HE LYS 41 14.480 -5.432 -5.389 332 1HZ LYS 41 1HZ LYS 41 11.652 -5.426 -4.939 333 2HZ LYS 41 2HZ LYS 41 12.703 -6.733 -5.205 334 3HZ LYS 41 3HZ LYS 41 12.050 -5.884 -6.522 335 H PHE 42 H PHE 42 9.451 -2.337 -2.723 336 HA PHE 42 HA PHE 42 8.003 -3.511 -4.837 337 1HB PHE 42 2HB PHE 42 7.499 -4.688 -2.967 338 2HB PHE 42 1HB PHE 42 7.776 -3.299 -1.907 339 HD1 PHE 42 1HD PHE 42 5.375 -4.630 -4.430 340 HD2 PHE 42 2HD PHE 42 5.954 -2.168 -0.965 341 HE1 PHE 42 1HE PHE 42 2.944 -4.241 -4.305 342 HE2 PHE 42 2HE PHE 42 3.510 -1.780 -0.831 343 HZ PHE 42 HZ PHE 42 2.010 -2.816 -2.501 344 H PHE 43 H PHE 43 7.011 -0.667 -2.780 345 HA PHE 43 HA PHE 43 4.533 -0.223 -4.146 346 1HB PHE 43 2HB PHE 43 5.051 0.885 -2.067 347 2HB PHE 43 1HB PHE 43 6.459 1.668 -2.780 348 HD1 PHE 43 1HD PHE 43 6.021 3.242 -4.829 349 HD2 PHE 43 2HD PHE 43 2.981 1.963 -2.089 350 HE1 PHE 43 1HE PHE 43 4.619 5.163 -5.457 351 HE2 PHE 43 2HE PHE 43 1.609 3.913 -2.715 352 HZ PHE 43 HZ PHE 43 2.418 5.500 -4.418 353 H GLU 44 H GLU 44 7.731 1.162 -4.623 354 HA GLU 44 HA GLU 44 7.131 2.715 -6.964 355 1HB GLU 44 2HB GLU 44 9.717 1.271 -6.257 356 2HB GLU 44 1HB GLU 44 9.558 2.491 -7.515 357 1HG GLU 44 2HG GLU 44 8.609 3.182 -4.757 358 2HG GLU 44 1HG GLU 44 10.349 3.164 -5.065 359 H GLU 45 H GLU 45 7.716 -0.685 -6.420 360 HA GLU 45 HA GLU 45 7.881 -1.448 -9.220 361 1HB GLU 45 2HB GLU 45 8.623 -2.663 -6.926 362 2HB GLU 45 1HB GLU 45 7.039 -3.413 -7.142 363 1HG GLU 45 2HG GLU 45 9.285 -3.334 -9.173 364 2HG GLU 45 1HG GLU 45 8.782 -4.748 -8.248 365 H ILE 46 H ILE 46 5.350 -1.350 -6.736 366 HA ILE 46 HA ILE 46 3.433 -2.604 -8.592 367 HB ILE 46 HB ILE 46 3.732 -2.715 -5.861 368 1HG1 ILE 46 2HG1 ILE 46 1.374 -3.737 -5.957 369 2HG1 ILE 46 1HG1 ILE 46 1.373 -3.274 -7.659 370 1HG2 ILE 46 1HG2 ILE 46 1.904 -1.614 -4.811 371 2HG2 ILE 46 2HG2 ILE 46 1.268 -1.066 -6.360 372 3HG2 ILE 46 3HG2 ILE 46 2.776 -0.394 -5.736 373 1HD1 ILE 46 1HD1 ILE 46 2.229 -5.678 -6.882 374 2HD1 ILE 46 2HD1 ILE 46 3.736 -4.800 -6.635 375 3HD1 ILE 46 3HD1 ILE 46 2.985 -4.830 -8.229 376 H ASP 47 H ASP 47 4.140 0.604 -7.273 377 HA ASP 47 HA ASP 47 1.664 1.804 -8.183 378 1HB ASP 47 2HB ASP 47 2.882 3.940 -7.956 379 2HB ASP 47 1HB ASP 47 3.212 2.924 -6.554 380 H VAL 48 H VAL 48 1.590 0.583 -10.306 381 HA VAL 48 HA VAL 48 3.645 0.986 -12.286 382 HB VAL 48 HB VAL 48 2.200 -0.987 -12.190 383 1HG1 VAL 48 1HG1 VAL 48 -0.141 0.620 -13.136 384 2HG1 VAL 48 2HG1 VAL 48 0.210 0.599 -11.412 385 3HG1 VAL 48 3HG1 VAL 48 -0.118 -0.911 -12.263 386 1HG2 VAL 48 1HG2 VAL 48 1.750 -1.138 -14.520 387 2HG2 VAL 48 2HG2 VAL 48 3.042 0.058 -14.419 388 3HG2 VAL 48 3HG2 VAL 48 1.371 0.581 -14.635 389 H ASP 49 H ASP 49 0.677 2.632 -11.502 390 HA ASP 49 HA ASP 49 0.384 3.789 -14.141 391 1HB ASP 49 2HB ASP 49 -1.678 4.018 -13.303 392 2HB ASP 49 1HB ASP 49 -1.101 3.676 -11.674 393 H GLY 50 H GLY 50 2.352 4.433 -11.458 394 1HA GLY 50 2HA GLY 50 3.997 5.979 -11.207 395 2HA GLY 50 1HA GLY 50 3.651 6.578 -12.826 396 H ASN 51 H ASN 51 0.860 6.605 -10.855 397 HA ASN 51 HA ASN 51 0.940 9.530 -10.764 398 1HB ASN 51 2HB ASN 51 -1.202 8.279 -11.120 399 2HB ASN 51 1HB ASN 51 -1.047 7.615 -9.488 400 1HD2 ASN 51 1HD2 ASN 51 -2.948 8.734 -8.678 401 2HD2 ASN 51 2HD2 ASN 51 -2.968 10.417 -8.463 402 H GLY 52 H GLY 52 2.334 7.113 -9.055 403 1HA GLY 52 2HA GLY 52 3.623 7.272 -7.088 404 2HA GLY 52 1HA GLY 52 2.947 8.869 -6.804 405 H GLU 53 H GLU 53 0.821 6.197 -7.473 406 HA GLU 53 HA GLU 53 0.255 5.824 -4.588 407 1HB GLU 53 2HB GLU 53 -2.149 6.260 -6.249 408 2HB GLU 53 1HB GLU 53 -1.816 6.837 -4.618 409 1HG GLU 53 2HG GLU 53 -0.437 8.010 -7.043 410 2HG GLU 53 1HG GLU 53 -1.973 8.611 -6.469 411 H LEU 54 H LEU 54 -1.049 3.985 -4.086 412 HA LEU 54 HA LEU 54 -0.670 1.784 -5.961 413 1HB LEU 54 2HB LEU 54 -2.125 2.016 -3.324 414 2HB LEU 54 1HB LEU 54 -1.904 0.551 -4.177 415 HG LEU 54 HG LEU 54 -0.096 0.321 -2.875 416 1HD1 LEU 54 1HD1 LEU 54 0.842 0.761 -5.189 417 2HD1 LEU 54 2HD1 LEU 54 1.958 1.020 -3.865 418 3HD1 LEU 54 3HD1 LEU 54 1.186 2.397 -4.649 419 1HD2 LEU 54 1HD2 LEU 54 -0.191 3.298 -2.685 420 2HD2 LEU 54 2HD2 LEU 54 0.989 2.294 -1.838 421 3HD2 LEU 54 3HD2 LEU 54 -0.719 2.115 -1.496 422 H ASN 55 H ASN 55 -2.028 1.467 -7.557 423 HA ASN 55 HA ASN 55 -4.714 2.635 -7.556 424 1HB ASN 55 2HB ASN 55 -4.644 0.830 -9.677 425 2HB ASN 55 1HB ASN 55 -4.301 2.552 -9.774 426 1HD2 ASN 55 1HD2 ASN 55 -3.037 -0.180 -10.883 427 2HD2 ASN 55 2HD2 ASN 55 -1.379 0.125 -10.729 428 H ALA 56 H ALA 56 -6.495 0.996 -8.441 429 HA ALA 56 HA ALA 56 -7.120 -0.719 -6.246 430 1HB ALA 56 1HB ALA 56 -9.113 -1.231 -7.441 431 2HB ALA 56 2HB ALA 56 -8.378 -0.778 -8.980 432 3HB ALA 56 3HB ALA 56 -8.725 0.457 -7.770 433 H ASP 57 H ASP 57 -6.452 -1.800 -9.662 434 HA ASP 57 HA ASP 57 -6.323 -4.535 -8.958 435 1HB ASP 57 2HB ASP 57 -6.304 -3.391 -11.301 436 2HB ASP 57 1HB ASP 57 -4.553 -3.362 -11.099 437 H GLU 58 H GLU 58 -3.722 -2.110 -9.066 438 HA GLU 58 HA GLU 58 -1.651 -3.960 -8.302 439 1HB GLU 58 2HB GLU 58 -1.834 -0.936 -8.165 440 2HB GLU 58 1HB GLU 58 -0.403 -1.827 -7.665 441 1HG GLU 58 2HG GLU 58 -1.662 -1.937 -10.420 442 2HG GLU 58 1HG GLU 58 -0.214 -1.035 -9.991 443 H PHE 59 H PHE 59 -4.011 -2.036 -6.606 444 HA PHE 59 HA PHE 59 -2.971 -1.986 -3.997 445 1HB PHE 59 2HB PHE 59 -5.627 -1.934 -5.262 446 2HB PHE 59 1HB PHE 59 -5.649 -2.578 -3.647 447 HD1 PHE 59 1HD PHE 59 -6.333 0.229 -5.259 448 HD2 PHE 59 2HD PHE 59 -3.730 -1.109 -2.148 449 HE1 PHE 59 1HE PHE 59 -6.241 2.489 -4.399 450 HE2 PHE 59 2HE PHE 59 -3.642 1.191 -1.270 451 HZ PHE 59 HZ PHE 59 -4.903 2.993 -2.428 452 H THR 60 H THR 60 -4.907 -4.530 -5.641 453 HA THR 60 HA THR 60 -4.914 -6.297 -3.362 454 HB THR 60 HB THR 60 -5.789 -7.954 -4.890 455 HG1 THR 60 1HG THR 60 -4.103 -7.048 -6.537 456 1HG2 THR 60 1HG2 THR 60 -6.690 -5.189 -5.732 457 2HG2 THR 60 2HG2 THR 60 -7.258 -6.054 -4.304 458 3HG2 THR 60 3HG2 THR 60 -7.616 -6.679 -5.914 459 H SER 61 H SER 61 -2.922 -6.086 -6.300 460 HA SER 61 HA SER 61 -1.203 -8.289 -5.542 461 1HB SER 61 2HB SER 61 -1.482 -7.101 -7.864 462 2HB SER 61 1HB SER 61 -0.288 -5.965 -7.235 463 HG SER 61 HG SER 61 0.600 -7.792 -8.390 464 H CYS 62 H CYS 62 -1.588 -5.051 -4.482 465 HA CYS 62 HA CYS 62 1.149 -4.622 -3.581 466 1HB CYS 62 2HB CYS 62 0.106 -2.566 -3.745 467 2HB CYS 62 1HB CYS 62 -1.464 -3.232 -3.350 468 HG CYS 62 HG CYS 62 0.044 -1.755 -1.397 469 H ILE 63 H ILE 63 -1.821 -5.982 -2.396 470 HA ILE 63 HA ILE 63 -0.619 -6.472 0.255 471 HB ILE 63 HB ILE 63 -3.321 -7.328 -0.820 472 1HG1 ILE 63 2HG1 ILE 63 -3.309 -4.944 -0.883 473 2HG1 ILE 63 1HG1 ILE 63 -4.069 -5.350 0.650 474 1HG2 ILE 63 1HG2 ILE 63 -2.266 -8.482 1.237 475 2HG2 ILE 63 2HG2 ILE 63 -3.883 -7.811 1.435 476 3HG2 ILE 63 3HG2 ILE 63 -2.484 -6.937 2.057 477 1HD1 ILE 63 1HD1 ILE 63 -1.248 -4.409 0.168 478 2HD1 ILE 63 2HD1 ILE 63 -1.737 -5.172 1.681 479 3HD1 ILE 63 3HD1 ILE 63 -2.488 -3.662 1.170 480 H GLU 64 H GLU 64 -1.446 -8.272 -2.775 481 HA GLU 64 HA GLU 64 -1.114 -10.845 -1.826 482 1HB GLU 64 2HB GLU 64 -1.648 -10.116 -4.198 483 2HB GLU 64 1HB GLU 64 0.069 -9.763 -4.397 484 1HG GLU 64 2HG GLU 64 -0.912 -12.465 -3.465 485 2HG GLU 64 1HG GLU 64 -0.714 -12.071 -5.171 486 H LYS 65 H LYS 65 1.262 -8.225 -2.150 487 HA LYS 65 HA LYS 65 3.632 -9.797 -2.185 488 1HB LYS 65 2HB LYS 65 3.254 -7.175 -2.023 489 2HB LYS 65 1HB LYS 65 3.403 -7.470 -0.291 490 1HG LYS 65 2HG LYS 65 5.583 -8.435 -0.559 491 2HG LYS 65 1HG LYS 65 5.415 -8.464 -2.313 492 1HD LYS 65 2HD LYS 65 5.752 -6.183 -2.533 493 2HD LYS 65 1HD LYS 65 5.139 -5.834 -0.918 494 1HE LYS 65 2HE LYS 65 7.824 -7.064 -1.625 495 2HE LYS 65 1HE LYS 65 7.547 -5.476 -0.906 496 1HZ LYS 65 1HZ LYS 65 7.302 -8.137 0.311 497 2HZ LYS 65 2HZ LYS 65 6.335 -6.870 0.896 498 3HZ LYS 65 3HZ LYS 65 8.028 -6.734 0.926 499 H MET 66 H MET 66 1.083 -9.771 -0.042 500 HA MET 66 HA MET 66 2.261 -11.728 1.729 501 1HB MET 66 2HB MET 66 1.887 -8.893 2.540 502 2HB MET 66 1HB MET 66 1.137 -10.063 3.627 503 1HG MET 66 2HG MET 66 3.996 -10.360 2.694 504 2HG MET 66 1HG MET 66 3.574 -9.425 4.128 505 1HE MET 66 1HE MET 66 4.189 -12.010 6.600 506 2HE MET 66 2HE MET 66 3.743 -10.336 6.282 507 3HE MET 66 3HE MET 66 5.174 -11.020 5.516 508 H LEU 67 H LEU 67 0.163 -11.907 3.502 509 HA LEU 67 HA LEU 67 -2.035 -12.666 3.624 510 1HB LEU 67 2HB LEU 67 -2.206 -10.087 3.001 511 2HB LEU 67 1HB LEU 67 -2.804 -10.719 1.470 512 HG LEU 67 HG LEU 67 -4.709 -10.332 2.917 513 1HD1 LEU 67 1HD1 LEU 67 -4.180 -13.308 3.015 514 2HD1 LEU 67 2HD1 LEU 67 -4.549 -12.464 1.511 515 3HD1 LEU 67 3HD1 LEU 67 -5.727 -12.483 2.824 516 1HD2 LEU 67 1HD2 LEU 67 -3.047 -10.770 5.016 517 2HD2 LEU 67 2HD2 LEU 67 -3.856 -12.336 4.955 518 3HD2 LEU 67 3HD2 LEU 67 -4.802 -10.861 5.150 Start of MODEL 14 1 HA SER 1 HA SER 1 -8.293 -11.983 -0.469 2 1HB SER 1 2HB SER 1 -8.536 -12.460 2.507 3 2HB SER 1 1HB SER 1 -9.656 -12.957 1.240 4 HG SER 1 HG SER 1 -7.549 -14.262 2.210 5 H SER 2 H SER 2 -7.546 -10.355 2.630 6 HA SER 2 HA SER 2 -9.652 -8.354 2.090 7 1HB SER 2 2HB SER 2 -8.316 -7.488 4.346 8 2HB SER 2 1HB SER 2 -9.707 -8.571 4.350 9 HG SER 2 HG SER 2 -8.401 -10.277 4.600 10 H ALA 3 H ALA 3 -7.758 -8.168 0.102 11 HA ALA 3 HA ALA 3 -5.717 -6.223 0.862 12 1HB ALA 3 1HB ALA 3 -5.326 -6.088 -1.603 13 2HB ALA 3 2HB ALA 3 -6.651 -7.230 -1.832 14 3HB ALA 3 3HB ALA 3 -5.200 -7.724 -0.957 15 H LYS 4 H LYS 4 -8.883 -6.175 -0.704 16 HA LYS 4 HA LYS 4 -8.715 -3.297 -1.244 17 1HB LYS 4 2HB LYS 4 -10.075 -4.522 -2.775 18 2HB LYS 4 1HB LYS 4 -10.924 -5.352 -1.478 19 1HG LYS 4 2HG LYS 4 -12.294 -3.551 -1.026 20 2HG LYS 4 1HG LYS 4 -11.071 -2.369 -1.478 21 1HD LYS 4 2HD LYS 4 -12.589 -4.121 -3.438 22 2HD LYS 4 1HD LYS 4 -12.982 -2.440 -3.085 23 1HE LYS 4 2HE LYS 4 -10.805 -3.551 -4.749 24 2HE LYS 4 1HE LYS 4 -11.591 -1.976 -4.834 25 1HZ LYS 4 1HZ LYS 4 -9.206 -1.937 -4.160 26 2HZ LYS 4 2HZ LYS 4 -9.650 -2.718 -2.718 27 3HZ LYS 4 3HZ LYS 4 -10.257 -1.171 -3.072 28 H ARG 5 H ARG 5 -10.061 -5.474 1.163 29 HA ARG 5 HA ARG 5 -11.624 -3.615 2.655 30 1HB ARG 5 2HB ARG 5 -11.432 -6.165 2.951 31 2HB ARG 5 1HB ARG 5 -9.946 -5.829 3.852 32 1HG ARG 5 2HG ARG 5 -11.239 -4.357 5.385 33 2HG ARG 5 1HG ARG 5 -12.707 -4.739 4.499 34 1HD ARG 5 2HD ARG 5 -12.977 -6.652 5.654 35 2HD ARG 5 1HD ARG 5 -11.363 -7.200 5.217 36 HE ARG 5 HE ARG 5 -12.132 -6.372 7.797 37 1HH1 ARG 5 1HH2 ARG 5 -9.742 -5.507 5.460 38 2HH1 ARG 5 2HH2 ARG 5 -8.638 -4.879 6.638 39 1HH2 ARG 5 1HH1 ARG 5 -10.706 -5.563 9.330 40 2HH2 ARG 5 2HH1 ARG 5 -9.184 -4.911 8.824 41 H VAL 6 H VAL 6 -8.247 -4.662 3.062 42 HA VAL 6 HA VAL 6 -7.604 -2.901 5.187 43 HB VAL 6 HB VAL 6 -6.304 -4.891 3.773 44 1HG1 VAL 6 1HG1 VAL 6 -4.163 -3.757 3.036 45 2HG1 VAL 6 2HG1 VAL 6 -5.074 -2.251 3.023 46 3HG1 VAL 6 3HG1 VAL 6 -5.556 -3.581 1.975 47 1HG2 VAL 6 1HG2 VAL 6 -5.431 -2.916 5.861 48 2HG2 VAL 6 2HG2 VAL 6 -4.256 -4.060 5.213 49 3HG2 VAL 6 3HG2 VAL 6 -5.713 -4.649 6.013 50 H PHE 7 H PHE 7 -7.360 -2.525 1.685 51 HA PHE 7 HA PHE 7 -6.179 0.085 1.713 52 1HB PHE 7 2HB PHE 7 -6.172 -1.048 -0.381 53 2HB PHE 7 1HB PHE 7 -7.910 -1.310 -0.328 54 HD1 PHE 7 1HD PHE 7 -6.868 2.010 0.773 55 HD2 PHE 7 2HD PHE 7 -7.837 -0.347 -2.684 56 HE1 PHE 7 1HE PHE 7 -7.303 4.053 -0.508 57 HE2 PHE 7 2HE PHE 7 -8.219 1.732 -3.955 58 HZ PHE 7 HZ PHE 7 -7.991 3.925 -2.848 59 H GLU 8 H GLU 8 -9.667 -0.857 1.588 60 HA GLU 8 HA GLU 8 -10.718 1.749 1.510 61 1HB GLU 8 2HB GLU 8 -12.717 0.732 1.913 62 2HB GLU 8 1HB GLU 8 -11.798 -0.765 1.818 63 1HG GLU 8 2HG GLU 8 -13.056 -0.900 3.838 64 2HG GLU 8 1HG GLU 8 -11.410 -0.524 4.340 65 H LYS 9 H LYS 9 -9.591 -0.106 4.313 66 HA LYS 9 HA LYS 9 -10.178 1.848 6.284 67 1HB LYS 9 2HB LYS 9 -9.628 -0.212 7.213 68 2HB LYS 9 1HB LYS 9 -8.301 -0.480 6.091 69 1HG LYS 9 2HG LYS 9 -7.451 -0.060 8.359 70 2HG LYS 9 1HG LYS 9 -6.956 1.228 7.267 71 1HD LYS 9 2HD LYS 9 -7.734 2.508 9.019 72 2HD LYS 9 1HD LYS 9 -9.239 2.335 8.132 73 1HE LYS 9 2HE LYS 9 -9.794 1.770 10.369 74 2HE LYS 9 1HE LYS 9 -9.637 0.221 9.541 75 1HZ LYS 9 1HZ LYS 9 -8.440 0.596 11.785 76 2HZ LYS 9 2HZ LYS 9 -7.291 1.423 10.845 77 3HZ LYS 9 3HZ LYS 9 -7.629 -0.213 10.536 78 H PHE 10 H PHE 10 -7.343 1.443 4.159 79 HA PHE 10 HA PHE 10 -6.028 3.793 5.372 80 1HB PHE 10 2HB PHE 10 -5.155 2.294 2.917 81 2HB PHE 10 1HB PHE 10 -4.181 3.294 3.987 82 HD1 PHE 10 1HD PHE 10 -4.373 0.058 3.148 83 HD2 PHE 10 2HD PHE 10 -4.917 2.479 6.659 84 HE1 PHE 10 1HE PHE 10 -3.811 -1.883 4.591 85 HE2 PHE 10 2HE PHE 10 -4.376 0.534 8.087 86 HZ PHE 10 HZ PHE 10 -3.822 -1.648 7.053 87 H ASP 11 H ASP 11 -8.161 3.127 2.680 88 HA ASP 11 HA ASP 11 -7.388 5.247 0.987 89 1HB ASP 11 2HB ASP 11 -9.315 3.456 0.748 90 2HB ASP 11 1HB ASP 11 -10.293 4.698 1.522 91 H LYS 12 H LYS 12 -6.587 6.698 2.466 92 HA LYS 12 HA LYS 12 -8.331 8.133 4.326 93 1HB LYS 12 2HB LYS 12 -6.276 8.368 5.240 94 2HB LYS 12 1HB LYS 12 -5.531 7.751 3.764 95 1HG LYS 12 2HG LYS 12 -5.584 9.985 2.770 96 2HG LYS 12 1HG LYS 12 -6.385 10.620 4.208 97 1HD LYS 12 2HD LYS 12 -4.467 10.604 5.447 98 2HD LYS 12 1HD LYS 12 -3.925 9.084 4.732 99 1HE LYS 12 2HE LYS 12 -2.954 10.150 2.882 100 2HE LYS 12 1HE LYS 12 -3.931 11.605 3.085 101 1HZ LYS 12 1HZ LYS 12 -1.874 10.724 5.031 102 2HZ LYS 12 2HZ LYS 12 -2.697 12.210 5.002 103 3HZ LYS 12 3HZ LYS 12 -1.571 11.834 3.785 104 H ASN 13 H ASN 13 -7.726 8.183 1.050 105 HA ASN 13 HA ASN 13 -8.616 11.035 0.798 106 1HB ASN 13 2HB ASN 13 -7.572 10.843 -1.544 107 2HB ASN 13 1HB ASN 13 -6.443 10.938 -0.188 108 1HD2 ASN 13 1HD2 ASN 13 -4.758 9.485 -0.513 109 2HD2 ASN 13 2HD2 ASN 13 -4.926 7.922 -1.154 110 H LYS 14 H LYS 14 -9.898 8.216 0.944 111 HA LYS 14 HA LYS 14 -11.453 6.899 -0.406 112 1HB LYS 14 2HB LYS 14 -12.819 9.588 -0.578 113 2HB LYS 14 1HB LYS 14 -13.536 8.000 -0.312 114 1HG LYS 14 2HG LYS 14 -12.424 7.887 1.906 115 2HG LYS 14 1HG LYS 14 -11.788 9.512 1.647 116 1HD LYS 14 2HD LYS 14 -13.955 10.485 1.676 117 2HD LYS 14 1HD LYS 14 -14.747 8.919 1.488 118 1HE LYS 14 2HE LYS 14 -13.023 9.529 3.890 119 2HE LYS 14 1HE LYS 14 -14.734 9.957 3.852 120 1HZ LYS 14 1HZ LYS 14 -13.649 7.233 3.383 121 2HZ LYS 14 2HZ LYS 14 -15.292 7.667 3.431 122 3HZ LYS 14 3HZ LYS 14 -14.342 7.767 4.836 123 H ASP 15 H ASP 15 -9.450 7.484 -1.963 124 HA ASP 15 HA ASP 15 -10.517 8.762 -4.432 125 1HB ASP 15 2HB ASP 15 -8.312 9.523 -3.346 126 2HB ASP 15 1HB ASP 15 -7.635 8.005 -3.948 127 H GLY 16 H GLY 16 -9.133 5.660 -3.204 128 1HA GLY 16 2HA GLY 16 -9.702 3.605 -4.309 129 2HA GLY 16 1HA GLY 16 -9.927 4.508 -5.817 130 H LYS 17 H LYS 17 -7.431 5.644 -3.924 131 HA LYS 17 HA LYS 17 -5.345 3.893 -4.948 132 1HB LYS 17 2HB LYS 17 -5.288 6.809 -5.659 133 2HB LYS 17 1HB LYS 17 -4.076 5.582 -5.993 134 1HG LYS 17 2HG LYS 17 -5.136 5.528 -8.033 135 2HG LYS 17 1HG LYS 17 -6.169 4.388 -7.180 136 1HD LYS 17 2HD LYS 17 -7.708 5.893 -8.140 137 2HD LYS 17 1HD LYS 17 -7.541 6.491 -6.485 138 1HE LYS 17 2HE LYS 17 -7.252 8.455 -7.714 139 2HE LYS 17 1HE LYS 17 -5.581 7.924 -7.511 140 1HZ LYS 17 1HZ LYS 17 -5.904 6.718 -9.692 141 2HZ LYS 17 2HZ LYS 17 -5.815 8.413 -9.772 142 3HZ LYS 17 3HZ LYS 17 -7.320 7.632 -9.888 143 H LEU 18 H LEU 18 -3.499 4.065 -3.868 144 HA LEU 18 HA LEU 18 -3.436 5.849 -1.487 145 1HB LEU 18 2HB LEU 18 -2.937 3.032 -1.801 146 2HB LEU 18 1HB LEU 18 -1.699 3.886 -0.964 147 HG LEU 18 HG LEU 18 -3.395 4.914 0.469 148 1HD1 LEU 18 1HD1 LEU 18 -5.296 4.555 -1.107 149 2HD1 LEU 18 2HD1 LEU 18 -5.600 4.070 0.563 150 3HD1 LEU 18 3HD1 LEU 18 -5.227 2.854 -0.646 151 1HD2 LEU 18 1HD2 LEU 18 -3.161 3.180 1.912 152 2HD2 LEU 18 2HD2 LEU 18 -2.110 2.564 0.641 153 3HD2 LEU 18 3HD2 LEU 18 -3.781 2.011 0.752 154 H SER 19 H SER 19 -1.394 6.520 -0.817 155 HA SER 19 HA SER 19 0.555 6.792 -3.048 156 1HB SER 19 2HB SER 19 0.494 8.342 -0.483 157 2HB SER 19 1HB SER 19 1.309 8.779 -1.985 158 HG SER 19 HG SER 19 -1.501 8.568 -1.581 159 H LEU 20 H LEU 20 2.808 6.456 -2.463 160 HA LEU 20 HA LEU 20 3.323 4.202 -0.885 161 1HB LEU 20 2HB LEU 20 4.863 5.424 -2.533 162 2HB LEU 20 1HB LEU 20 5.187 6.563 -1.234 163 HG LEU 20 HG LEU 20 6.697 4.422 -1.679 164 1HD1 LEU 20 1HD1 LEU 20 7.223 4.519 0.817 165 2HD1 LEU 20 2HD1 LEU 20 5.939 5.724 0.900 166 3HD1 LEU 20 3HD1 LEU 20 7.355 6.013 -0.108 167 1HD2 LEU 20 1HD2 LEU 20 4.566 3.011 -1.077 168 2HD2 LEU 20 2HD2 LEU 20 5.022 3.375 0.565 169 3HD2 LEU 20 3HD2 LEU 20 6.134 2.510 -0.493 170 H ASP 21 H ASP 21 2.713 7.394 -0.195 171 HA ASP 21 HA ASP 21 3.704 7.575 2.497 172 1HB ASP 21 2HB ASP 21 2.846 9.474 0.902 173 2HB ASP 21 1HB ASP 21 1.261 9.070 1.560 174 H GLU 22 H GLU 22 0.411 6.681 1.155 175 HA GLU 22 HA GLU 22 -0.611 6.196 3.790 176 1HB GLU 22 2HB GLU 22 -1.881 6.658 1.553 177 2HB GLU 22 1HB GLU 22 -1.741 4.912 1.367 178 1HG GLU 22 2HG GLU 22 -3.823 5.302 2.521 179 2HG GLU 22 1HG GLU 22 -2.678 4.707 3.723 180 H PHE 23 H PHE 23 0.753 4.149 1.262 181 HA PHE 23 HA PHE 23 0.305 1.664 2.604 182 1HB PHE 23 2HB PHE 23 0.644 1.741 0.207 183 2HB PHE 23 1HB PHE 23 2.217 2.444 0.462 184 HD1 PHE 23 1HD PHE 23 3.976 0.980 0.077 185 HD2 PHE 23 2HD PHE 23 0.361 -0.486 1.853 186 HE1 PHE 23 1HE PHE 23 4.976 -1.284 0.242 187 HE2 PHE 23 2HE PHE 23 1.355 -2.750 2.024 188 HZ PHE 23 HZ PHE 23 3.665 -3.150 1.217 189 H ARG 24 H ARG 24 2.621 4.260 2.836 190 HA ARG 24 HA ARG 24 4.717 2.716 4.182 191 1HB ARG 24 2HB ARG 24 5.366 4.646 2.868 192 2HB ARG 24 1HB ARG 24 4.222 5.674 3.726 193 1HG ARG 24 2HG ARG 24 6.386 6.115 4.628 194 2HG ARG 24 1HG ARG 24 5.525 5.176 5.829 195 1HD ARG 24 2HD ARG 24 6.677 3.179 5.232 196 2HD ARG 24 1HD ARG 24 7.342 3.912 3.777 197 HE ARG 24 HE ARG 24 8.533 3.959 6.374 198 1HH1 ARG 24 1HH2 ARG 24 7.798 6.103 3.766 199 2HH1 ARG 24 2HH2 ARG 24 8.928 7.310 4.280 200 1HH2 ARG 24 1HH1 ARG 24 10.008 5.515 7.036 201 2HH2 ARG 24 2HH1 ARG 24 10.180 6.976 6.123 202 H GLU 25 H GLU 25 1.962 4.674 4.939 203 HA GLU 25 HA GLU 25 2.468 4.765 7.840 204 1HB GLU 25 2HB GLU 25 1.056 6.528 6.951 205 2HB GLU 25 1HB GLU 25 0.013 5.356 6.142 206 1HG GLU 25 2HG GLU 25 -0.983 4.661 8.136 207 2HG GLU 25 1HG GLU 25 0.379 5.202 9.115 208 H VAL 26 H VAL 26 0.731 2.988 5.457 209 HA VAL 26 HA VAL 26 -0.717 1.079 7.010 210 HB VAL 26 HB VAL 26 0.306 1.503 4.276 211 1HG1 VAL 26 1HG1 VAL 26 0.946 -0.698 4.167 212 2HG1 VAL 26 2HG1 VAL 26 -0.738 -0.803 3.657 213 3HG1 VAL 26 3HG1 VAL 26 -0.295 -1.216 5.310 214 1HG2 VAL 26 1HG2 VAL 26 -2.328 0.821 5.441 215 2HG2 VAL 26 2HG2 VAL 26 -2.042 0.862 3.701 216 3HG2 VAL 26 3HG2 VAL 26 -1.837 2.322 4.668 217 H ALA 27 H ALA 27 2.417 1.115 5.459 218 HA ALA 27 HA ALA 27 3.140 -1.546 6.208 219 1HB ALA 27 1HB ALA 27 5.351 -0.958 5.286 220 2HB ALA 27 2HB ALA 27 4.879 0.739 5.246 221 3HB ALA 27 3HB ALA 27 4.062 -0.426 4.207 222 H LEU 28 H LEU 28 3.616 1.618 7.517 223 HA LEU 28 HA LEU 28 5.520 0.744 9.580 224 1HB LEU 28 2HB LEU 28 4.124 3.309 8.899 225 2HB LEU 28 1HB LEU 28 4.841 3.126 10.496 226 HG LEU 28 HG LEU 28 7.006 3.106 9.689 227 1HD1 LEU 28 1HD1 LEU 28 7.027 1.214 8.254 228 2HD1 LEU 28 2HD1 LEU 28 7.504 2.555 7.222 229 3HD1 LEU 28 3HD1 LEU 28 5.859 1.935 7.149 230 1HD2 LEU 28 1HD2 LEU 28 5.265 4.744 7.885 231 2HD2 LEU 28 2HD2 LEU 28 6.980 4.624 7.513 232 3HD2 LEU 28 3HD2 LEU 28 6.460 5.264 9.066 233 H ALA 29 H ALA 29 2.027 1.250 9.295 234 HA ALA 29 HA ALA 29 1.538 1.207 12.130 235 1HB ALA 29 1HB ALA 29 -0.827 0.985 11.352 236 2HB ALA 29 2HB ALA 29 -0.225 0.816 9.703 237 3HB ALA 29 3HB ALA 29 0.034 2.320 10.587 238 H PHE 30 H PHE 30 0.647 -1.179 9.585 239 HA PHE 30 HA PHE 30 0.199 -3.188 11.690 240 1HB PHE 30 2HB PHE 30 -0.898 -2.683 9.158 241 2HB PHE 30 1HB PHE 30 -0.013 -4.199 8.966 242 HD1 PHE 30 1HD PHE 30 -2.306 -2.505 11.414 243 HD2 PHE 30 2HD PHE 30 -1.095 -6.183 9.556 244 HE1 PHE 30 1HE PHE 30 -4.117 -3.703 12.609 245 HE2 PHE 30 2HE PHE 30 -2.907 -7.382 10.751 246 HZ PHE 30 HZ PHE 30 -4.418 -6.142 12.278 247 H SER 31 H SER 31 2.349 -2.883 8.843 248 HA SER 31 HA SER 31 3.937 -5.170 9.951 249 1HB SER 31 2HB SER 31 4.598 -5.696 7.753 250 2HB SER 31 1HB SER 31 2.899 -5.264 7.585 251 HG SER 31 HG SER 31 3.908 -3.027 7.273 252 HA PRO 32 HA PRO 32 6.312 -1.150 10.551 253 1HB PRO 32 2HB PRO 32 7.456 -2.076 12.931 254 2HB PRO 32 1HB PRO 32 6.026 -1.034 12.809 255 1HG PRO 32 2HG PRO 32 6.200 -3.969 13.235 256 2HG PRO 32 1HG PRO 32 5.048 -2.793 13.896 257 1HD PRO 32 2HD PRO 32 4.377 -4.468 11.883 258 2HD PRO 32 1HD PRO 32 3.717 -2.820 11.985 259 H TYR 33 H TYR 33 7.174 -4.550 10.434 260 HA TYR 33 HA TYR 33 10.034 -4.089 10.444 261 1HB TYR 33 2HB TYR 33 8.543 -6.484 9.344 262 2HB TYR 33 1HB TYR 33 10.215 -6.427 9.913 263 HD1 TYR 33 1HD TYR 33 10.678 -5.970 12.353 264 HD2 TYR 33 2HD TYR 33 6.732 -6.789 10.864 265 HE1 TYR 33 1HE TYR 33 9.916 -6.484 14.656 266 HE2 TYR 33 2HE TYR 33 5.971 -7.305 13.168 267 HH TYR 33 HH TYR 33 8.145 -7.751 15.765 268 H PHE 34 H PHE 34 7.653 -3.442 8.112 269 HA PHE 34 HA PHE 34 9.111 -4.221 5.744 270 1HB PHE 34 2HB PHE 34 6.704 -2.607 6.304 271 2HB PHE 34 1HB PHE 34 7.677 -1.940 5.023 272 HD1 PHE 34 1HD PHE 34 6.073 -5.080 6.158 273 HD2 PHE 34 2HD PHE 34 7.637 -2.869 2.833 274 HE1 PHE 34 1HE PHE 34 5.174 -6.793 4.606 275 HE2 PHE 34 2HE PHE 34 6.742 -4.577 1.277 276 HZ PHE 34 HZ PHE 34 5.509 -6.539 2.162 277 H THR 35 H THR 35 10.941 -3.461 5.061 278 HA THR 35 HA THR 35 12.048 -1.056 6.257 279 HB THR 35 HB THR 35 13.636 -1.829 4.048 280 HG1 THR 35 1HG THR 35 12.061 -3.766 4.512 281 1HG2 THR 35 1HG2 THR 35 13.755 -2.475 6.992 282 2HG2 THR 35 2HG2 THR 35 14.380 -1.018 6.218 283 3HG2 THR 35 3HG2 THR 35 15.113 -2.585 5.872 284 H GLN 36 H GLN 36 12.353 0.888 5.282 285 HA GLN 36 HA GLN 36 10.448 1.841 3.507 286 1HB GLN 36 2HB GLN 36 12.092 3.108 4.982 287 2HB GLN 36 1HB GLN 36 13.277 2.872 3.698 288 1HG GLN 36 2HG GLN 36 12.000 5.074 3.608 289 2HG GLN 36 1HG GLN 36 11.982 4.131 2.127 290 1HE2 GLN 36 1HE2 GLN 36 9.927 5.140 1.480 291 2HE2 GLN 36 2HE2 GLN 36 8.472 4.701 2.236 292 H GLU 37 H GLU 37 13.476 0.270 2.821 293 HA GLU 37 HA GLU 37 13.486 0.962 -0.021 294 1HB GLU 37 2HB GLU 37 14.948 -1.133 1.616 295 2HB GLU 37 1HB GLU 37 15.118 -1.035 -0.137 296 1HG GLU 37 2HG GLU 37 15.554 1.357 1.663 297 2HG GLU 37 1HG GLU 37 16.858 0.250 1.230 298 H ASP 38 H ASP 38 12.261 -1.723 1.943 299 HA ASP 38 HA ASP 38 11.423 -3.307 -0.348 300 1HB ASP 38 2HB ASP 38 10.640 -3.382 2.582 301 2HB ASP 38 1HB ASP 38 10.078 -4.552 1.385 302 H ILE 39 H ILE 39 9.921 -0.908 1.775 303 HA ILE 39 HA ILE 39 7.242 -1.207 0.732 304 HB ILE 39 HB ILE 39 8.469 1.279 1.964 305 1HG1 ILE 39 2HG1 ILE 39 6.988 -0.849 3.486 306 2HG1 ILE 39 1HG1 ILE 39 8.733 -0.971 3.249 307 1HG2 ILE 39 1HG2 ILE 39 5.917 0.749 0.940 308 2HG2 ILE 39 2HG2 ILE 39 6.358 2.086 1.998 309 3HG2 ILE 39 3HG2 ILE 39 5.730 0.587 2.683 310 1HD1 ILE 39 1HD1 ILE 39 8.043 1.710 4.104 311 2HD1 ILE 39 2HD1 ILE 39 9.094 0.538 4.892 312 3HD1 ILE 39 3HD1 ILE 39 7.364 0.530 5.223 313 H VAL 40 H VAL 40 9.862 1.074 0.108 314 HA VAL 40 HA VAL 40 8.447 2.446 -2.017 315 HB VAL 40 HB VAL 40 10.535 3.627 -2.301 316 1HG1 VAL 40 1HG1 VAL 40 10.785 4.322 0.127 317 2HG1 VAL 40 2HG1 VAL 40 9.653 3.028 0.513 318 3HG1 VAL 40 3HG1 VAL 40 9.144 4.365 -0.515 319 1HG2 VAL 40 1HG2 VAL 40 11.566 1.243 -0.910 320 2HG2 VAL 40 2HG2 VAL 40 12.317 2.788 -0.494 321 3HG2 VAL 40 3HG2 VAL 40 12.317 2.226 -2.163 322 H LYS 41 H LYS 41 11.013 -0.077 -1.952 323 HA LYS 41 HA LYS 41 11.419 -0.057 -4.785 324 1HB LYS 41 2HB LYS 41 12.844 -1.375 -3.188 325 2HB LYS 41 1HB LYS 41 11.470 -2.450 -2.895 326 1HG LYS 41 2HG LYS 41 11.487 -3.243 -5.140 327 2HG LYS 41 1HG LYS 41 12.555 -1.945 -5.674 328 1HD LYS 41 2HD LYS 41 14.421 -2.866 -4.499 329 2HD LYS 41 1HD LYS 41 13.393 -3.991 -3.611 330 1HE LYS 41 2HE LYS 41 13.575 -4.057 -6.625 331 2HE LYS 41 1HE LYS 41 14.707 -4.947 -5.608 332 1HZ LYS 41 1HZ LYS 41 13.175 -6.536 -5.569 333 2HZ LYS 41 2HZ LYS 41 11.978 -5.528 -6.228 334 3HZ LYS 41 3HZ LYS 41 12.263 -5.529 -4.554 335 H PHE 42 H PHE 42 9.413 -2.129 -2.722 336 HA PHE 42 HA PHE 42 7.900 -3.335 -4.749 337 1HB PHE 42 2HB PHE 42 8.034 -4.067 -2.385 338 2HB PHE 42 1HB PHE 42 7.065 -2.669 -1.914 339 HD1 PHE 42 1HD PHE 42 4.843 -3.163 -1.520 340 HD2 PHE 42 2HD PHE 42 6.929 -5.283 -4.618 341 HE1 PHE 42 1HE PHE 42 2.788 -4.425 -2.042 342 HE2 PHE 42 2HE PHE 42 4.866 -6.541 -5.149 343 HZ PHE 42 HZ PHE 42 2.801 -6.121 -3.859 344 H PHE 43 H PHE 43 6.988 -0.445 -2.743 345 HA PHE 43 HA PHE 43 4.496 -0.013 -4.083 346 1HB PHE 43 2HB PHE 43 5.035 1.139 -2.033 347 2HB PHE 43 1HB PHE 43 6.440 1.900 -2.780 348 HD1 PHE 43 1HD PHE 43 2.948 2.189 -2.109 349 HD2 PHE 43 2HD PHE 43 6.020 3.450 -4.817 350 HE1 PHE 43 1HE PHE 43 1.574 4.127 -2.778 351 HE2 PHE 43 2HE PHE 43 4.621 5.358 -5.493 352 HZ PHE 43 HZ PHE 43 2.402 5.699 -4.486 353 H GLU 44 H GLU 44 7.691 1.315 -4.627 354 HA GLU 44 HA GLU 44 7.105 2.860 -6.971 355 1HB GLU 44 2HB GLU 44 9.652 1.369 -6.248 356 2HB GLU 44 1HB GLU 44 9.522 2.521 -7.570 357 1HG GLU 44 2HG GLU 44 8.626 3.376 -4.836 358 2HG GLU 44 1HG GLU 44 10.356 3.326 -5.191 359 H GLU 45 H GLU 45 7.752 -0.552 -6.450 360 HA GLU 45 HA GLU 45 7.778 -1.303 -9.251 361 1HB GLU 45 2HB GLU 45 8.678 -2.508 -7.028 362 2HB GLU 45 1HB GLU 45 7.083 -3.265 -7.110 363 1HG GLU 45 2HG GLU 45 9.149 -3.196 -9.323 364 2HG GLU 45 1HG GLU 45 8.756 -4.603 -8.333 365 H ILE 46 H ILE 46 5.351 -1.304 -6.651 366 HA ILE 46 HA ILE 46 3.407 -2.613 -8.425 367 HB ILE 46 HB ILE 46 3.744 -2.661 -5.706 368 1HG1 ILE 46 2HG1 ILE 46 1.359 -3.640 -5.744 369 2HG1 ILE 46 1HG1 ILE 46 1.357 -3.230 -7.462 370 1HG2 ILE 46 1HG2 ILE 46 2.812 -0.318 -5.627 371 2HG2 ILE 46 2HG2 ILE 46 1.973 -1.508 -4.633 372 3HG2 ILE 46 3HG2 ILE 46 1.283 -1.005 -6.174 373 1HD1 ILE 46 1HD1 ILE 46 2.729 -5.418 -6.068 374 2HD1 ILE 46 2HD1 ILE 46 3.794 -4.515 -7.146 375 3HD1 ILE 46 3HD1 ILE 46 2.322 -5.257 -7.775 376 H ASP 47 H ASP 47 4.015 0.649 -7.145 377 HA ASP 47 HA ASP 47 1.531 1.745 -8.168 378 1HB ASP 47 2HB ASP 47 2.730 3.064 -6.534 379 2HB ASP 47 1HB ASP 47 4.218 2.988 -7.482 380 H VAL 48 H VAL 48 1.596 0.526 -10.277 381 HA VAL 48 HA VAL 48 3.716 0.961 -12.172 382 HB VAL 48 HB VAL 48 2.296 -1.025 -12.141 383 1HG1 VAL 48 1HG1 VAL 48 0.255 0.593 -11.462 384 2HG1 VAL 48 2HG1 VAL 48 -0.006 -0.981 -12.211 385 3HG1 VAL 48 3HG1 VAL 48 -0.051 0.481 -13.193 386 1HG2 VAL 48 1HG2 VAL 48 1.521 0.533 -14.609 387 2HG2 VAL 48 2HG2 VAL 48 1.930 -1.177 -14.484 388 3HG2 VAL 48 3HG2 VAL 48 3.194 0.044 -14.339 389 H ASP 49 H ASP 49 0.728 2.609 -11.503 390 HA ASP 49 HA ASP 49 0.516 3.734 -14.163 391 1HB ASP 49 2HB ASP 49 -1.569 4.058 -13.437 392 2HB ASP 49 1HB ASP 49 -1.089 3.576 -11.810 393 H GLY 50 H GLY 50 2.390 4.425 -11.430 394 1HA GLY 50 2HA GLY 50 3.996 6.006 -11.128 395 2HA GLY 50 1HA GLY 50 3.711 6.572 -12.770 396 H ASN 51 H ASN 51 0.835 6.599 -10.925 397 HA ASN 51 HA ASN 51 0.863 9.522 -10.893 398 1HB ASN 51 2HB ASN 51 -1.241 8.167 -11.265 399 2HB ASN 51 1HB ASN 51 -1.137 7.649 -9.577 400 1HD2 ASN 51 1HD2 ASN 51 -3.324 8.857 -9.480 401 2HD2 ASN 51 2HD2 ASN 51 -3.277 10.528 -9.184 402 H GLY 52 H GLY 52 2.359 7.265 -9.141 403 1HA GLY 52 2HA GLY 52 3.573 7.484 -7.135 404 2HA GLY 52 1HA GLY 52 2.818 9.059 -6.904 405 H GLU 53 H GLU 53 0.742 6.351 -7.552 406 HA GLU 53 HA GLU 53 0.200 5.963 -4.662 407 1HB GLU 53 2HB GLU 53 -2.197 6.396 -6.364 408 2HB GLU 53 1HB GLU 53 -1.944 6.847 -4.684 409 1HG GLU 53 2HG GLU 53 -0.444 8.682 -5.425 410 2HG GLU 53 1HG GLU 53 -0.778 8.254 -7.103 411 H LEU 54 H LEU 54 -1.072 4.102 -4.152 412 HA LEU 54 HA LEU 54 -0.644 1.904 -6.017 413 1HB LEU 54 2HB LEU 54 -2.126 2.115 -3.393 414 2HB LEU 54 1HB LEU 54 -1.863 0.654 -4.238 415 HG LEU 54 HG LEU 54 -0.075 0.469 -2.903 416 1HD1 LEU 54 1HD1 LEU 54 0.889 0.918 -5.216 417 2HD1 LEU 54 2HD1 LEU 54 1.980 1.171 -3.869 418 3HD1 LEU 54 3HD1 LEU 54 1.218 2.551 -4.658 419 1HD2 LEU 54 1HD2 LEU 54 0.958 2.494 -1.886 420 2HD2 LEU 54 2HD2 LEU 54 -0.741 2.245 -1.539 421 3HD2 LEU 54 3HD2 LEU 54 -0.256 3.439 -2.738 422 H ASN 55 H ASN 55 -2.003 1.518 -7.606 423 HA ASN 55 HA ASN 55 -4.711 2.647 -7.613 424 1HB ASN 55 2HB ASN 55 -4.630 0.850 -9.729 425 2HB ASN 55 1HB ASN 55 -4.269 2.568 -9.829 426 1HD2 ASN 55 1HD2 ASN 55 -3.033 -0.203 -10.903 427 2HD2 ASN 55 2HD2 ASN 55 -1.370 0.098 -10.765 428 H ALA 56 H ALA 56 -6.467 0.989 -8.464 429 HA ALA 56 HA ALA 56 -7.070 -0.736 -6.279 430 1HB ALA 56 1HB ALA 56 -8.655 0.404 -7.896 431 2HB ALA 56 2HB ALA 56 -9.048 -1.258 -7.456 432 3HB ALA 56 3HB ALA 56 -8.300 -0.913 -9.016 433 H ASP 57 H ASP 57 -6.336 -1.814 -9.675 434 HA ASP 57 HA ASP 57 -6.163 -4.548 -8.970 435 1HB ASP 57 2HB ASP 57 -6.225 -3.621 -11.309 436 2HB ASP 57 1HB ASP 57 -4.533 -3.160 -11.115 437 H GLU 58 H GLU 58 -3.633 -2.060 -9.009 438 HA GLU 58 HA GLU 58 -1.522 -3.876 -8.263 439 1HB GLU 58 2HB GLU 58 -1.777 -0.861 -8.144 440 2HB GLU 58 1HB GLU 58 -0.334 -1.705 -7.594 441 1HG GLU 58 2HG GLU 58 -1.526 -1.955 -10.369 442 2HG GLU 58 1HG GLU 58 -0.156 -0.933 -9.948 443 H PHE 59 H PHE 59 -3.916 -2.010 -6.551 444 HA PHE 59 HA PHE 59 -2.878 -2.012 -3.922 445 1HB PHE 59 2HB PHE 59 -5.559 -1.996 -5.193 446 2HB PHE 59 1HB PHE 59 -5.533 -2.579 -3.555 447 HD1 PHE 59 1HD PHE 59 -6.237 0.167 -5.299 448 HD2 PHE 59 2HD PHE 59 -3.667 -1.036 -2.107 449 HE1 PHE 59 1HE PHE 59 -6.175 2.463 -4.524 450 HE2 PHE 59 2HE PHE 59 -3.605 1.298 -1.311 451 HZ PHE 59 HZ PHE 59 -4.863 3.047 -2.551 452 H THR 60 H THR 60 -4.768 -4.512 -5.693 453 HA THR 60 HA THR 60 -4.858 -6.364 -3.502 454 HB THR 60 HB THR 60 -5.667 -7.945 -5.127 455 HG1 THR 60 1HG THR 60 -5.423 -6.537 -7.374 456 1HG2 THR 60 1HG2 THR 60 -7.081 -5.955 -4.524 457 2HG2 THR 60 2HG2 THR 60 -7.472 -6.667 -6.089 458 3HG2 THR 60 3HG2 THR 60 -6.524 -5.182 -6.008 459 H SER 61 H SER 61 -2.727 -6.016 -6.310 460 HA SER 61 HA SER 61 -1.060 -8.268 -5.545 461 1HB SER 61 2HB SER 61 -1.277 -7.062 -7.863 462 2HB SER 61 1HB SER 61 -0.093 -5.934 -7.196 463 HG SER 61 HG SER 61 0.996 -7.593 -8.227 464 H CYS 62 H CYS 62 -1.426 -5.005 -4.482 465 HA CYS 62 HA CYS 62 1.295 -4.617 -3.540 466 1HB CYS 62 2HB CYS 62 -0.288 -2.724 -3.965 467 2HB CYS 62 1HB CYS 62 -1.260 -3.283 -2.605 468 HG CYS 62 HG CYS 62 1.102 -1.536 -2.304 469 H ILE 63 H ILE 63 -1.808 -5.541 -2.112 470 HA ILE 63 HA ILE 63 -0.569 -6.184 0.441 471 HB ILE 63 HB ILE 63 -3.313 -6.425 -0.738 472 1HG1 ILE 63 2HG1 ILE 63 -3.904 -5.026 1.105 473 2HG1 ILE 63 1HG1 ILE 63 -2.412 -5.406 1.962 474 1HG2 ILE 63 1HG2 ILE 63 -3.205 -8.561 0.273 475 2HG2 ILE 63 2HG2 ILE 63 -3.933 -7.538 1.511 476 3HG2 ILE 63 3HG2 ILE 63 -2.225 -7.968 1.614 477 1HD1 ILE 63 1HD1 ILE 63 -1.100 -4.112 0.486 478 2HD1 ILE 63 2HD1 ILE 63 -2.545 -3.136 0.736 479 3HD1 ILE 63 3HD1 ILE 63 -2.365 -4.079 -0.741 480 H GLU 64 H GLU 64 -1.491 -8.010 -2.545 481 HA GLU 64 HA GLU 64 -1.300 -10.576 -1.575 482 1HB GLU 64 2HB GLU 64 -1.737 -9.785 -3.969 483 2HB GLU 64 1HB GLU 64 0.014 -9.646 -4.136 484 1HG GLU 64 2HG GLU 64 -1.344 -12.190 -3.217 485 2HG GLU 64 1HG GLU 64 -0.986 -11.852 -4.909 486 H LYS 65 H LYS 65 1.306 -8.149 -1.983 487 HA LYS 65 HA LYS 65 3.513 -9.923 -1.923 488 1HB LYS 65 2HB LYS 65 3.505 -7.328 -1.875 489 2HB LYS 65 1HB LYS 65 3.390 -7.494 -0.124 490 1HG LYS 65 2HG LYS 65 5.527 -8.324 0.078 491 2HG LYS 65 1HG LYS 65 5.456 -9.149 -1.475 492 1HD LYS 65 2HD LYS 65 6.077 -7.262 -2.674 493 2HD LYS 65 1HD LYS 65 5.476 -6.157 -1.442 494 1HE LYS 65 2HE LYS 65 7.941 -7.909 -1.193 495 2HE LYS 65 1HE LYS 65 7.949 -6.165 -1.478 496 1HZ LYS 65 1HZ LYS 65 6.426 -6.245 0.663 497 2HZ LYS 65 2HZ LYS 65 8.120 -6.172 0.766 498 3HZ LYS 65 3HZ LYS 65 7.318 -7.658 0.953 499 H MET 66 H MET 66 0.958 -9.650 0.223 500 HA MET 66 HA MET 66 1.956 -11.696 1.990 501 1HB MET 66 2HB MET 66 1.986 -8.846 2.787 502 2HB MET 66 1HB MET 66 1.063 -9.868 3.887 503 1HG MET 66 2HG MET 66 3.836 -10.636 2.971 504 2HG MET 66 1HG MET 66 3.577 -9.604 4.376 505 1HE MET 66 1HE MET 66 5.136 -11.568 5.195 506 2HE MET 66 2HE MET 66 4.837 -12.832 4.003 507 3HE MET 66 3HE MET 66 4.554 -13.157 5.711 508 H LEU 67 H LEU 67 -0.100 -11.571 3.838 509 HA LEU 67 HA LEU 67 -2.356 -12.145 4.006 510 1HB LEU 67 2HB LEU 67 -2.189 -9.516 3.394 511 2HB LEU 67 1HB LEU 67 -3.076 -10.079 1.981 512 HG LEU 67 HG LEU 67 -4.765 -11.125 3.473 513 1HD1 LEU 67 1HD1 LEU 67 -2.793 -10.265 5.525 514 2HD1 LEU 67 2HD1 LEU 67 -3.934 -11.609 5.553 515 3HD1 LEU 67 3HD1 LEU 67 -4.486 -9.980 5.932 516 1HD2 LEU 67 1HD2 LEU 67 -5.345 -8.956 2.711 517 2HD2 LEU 67 2HD2 LEU 67 -4.147 -8.181 3.748 518 3HD2 LEU 67 3HD2 LEU 67 -5.599 -8.887 4.454 Start of MODEL 15 1 HA SER 1 HA SER 1 -8.482 -12.126 0.633 2 1HB SER 1 2HB SER 1 -9.524 -10.003 -1.227 3 2HB SER 1 1HB SER 1 -7.889 -10.640 -1.078 4 HG SER 1 HG SER 1 -10.178 -11.828 -2.240 5 H SER 2 H SER 2 -8.004 -9.326 0.635 6 HA SER 2 HA SER 2 -9.950 -7.909 2.222 7 1HB SER 2 2HB SER 2 -8.014 -7.977 4.188 8 2HB SER 2 1HB SER 2 -9.506 -8.912 4.206 9 HG SER 2 HG SER 2 -8.064 -10.374 2.769 10 H ALA 3 H ALA 3 -7.649 -7.822 0.080 11 HA ALA 3 HA ALA 3 -5.887 -5.760 1.133 12 1HB ALA 3 1HB ALA 3 -4.993 -7.118 -0.613 13 2HB ALA 3 2HB ALA 3 -5.263 -5.526 -1.324 14 3HB ALA 3 3HB ALA 3 -6.399 -6.839 -1.639 15 H LYS 4 H LYS 4 -8.930 -5.867 -0.564 16 HA LYS 4 HA LYS 4 -8.842 -3.022 -1.264 17 1HB LYS 4 2HB LYS 4 -10.124 -4.471 -2.709 18 2HB LYS 4 1HB LYS 4 -11.021 -5.130 -1.351 19 1HG LYS 4 2HG LYS 4 -12.519 -3.565 -2.289 20 2HG LYS 4 1HG LYS 4 -11.798 -2.666 -0.959 21 1HD LYS 4 2HD LYS 4 -10.189 -1.632 -2.506 22 2HD LYS 4 1HD LYS 4 -10.871 -2.558 -3.843 23 1HE LYS 4 2HE LYS 4 -12.221 -0.392 -2.219 24 2HE LYS 4 1HE LYS 4 -11.879 -0.389 -3.949 25 1HZ LYS 4 1HZ LYS 4 -13.945 -1.160 -4.153 26 2HZ LYS 4 2HZ LYS 4 -14.063 -1.589 -2.513 27 3HZ LYS 4 3HZ LYS 4 -13.327 -2.647 -3.620 28 H ARG 5 H ARG 5 -10.206 -5.121 1.214 29 HA ARG 5 HA ARG 5 -11.734 -3.141 2.620 30 1HB ARG 5 2HB ARG 5 -11.623 -5.756 2.890 31 2HB ARG 5 1HB ARG 5 -10.294 -5.402 3.998 32 1HG ARG 5 2HG ARG 5 -12.095 -5.364 5.472 33 2HG ARG 5 1HG ARG 5 -12.027 -3.663 5.010 34 1HD ARG 5 2HD ARG 5 -13.764 -4.026 3.318 35 2HD ARG 5 1HD ARG 5 -13.800 -5.748 3.700 36 HE ARG 5 HE ARG 5 -14.319 -4.528 6.128 37 1HH1 ARG 5 1HH2 ARG 5 -15.584 -4.362 2.926 38 2HH1 ARG 5 2HH2 ARG 5 -17.193 -3.977 3.438 39 1HH2 ARG 5 1HH1 ARG 5 -16.414 -4.026 6.816 40 2HH2 ARG 5 2HH1 ARG 5 -17.663 -3.787 5.641 41 H VAL 6 H VAL 6 -8.457 -4.439 3.173 42 HA VAL 6 HA VAL 6 -7.782 -2.665 5.293 43 HB VAL 6 HB VAL 6 -6.579 -4.820 4.096 44 1HG1 VAL 6 1HG1 VAL 6 -4.494 -4.170 3.096 45 2HG1 VAL 6 2HG1 VAL 6 -4.844 -2.463 3.357 46 3HG1 VAL 6 3HG1 VAL 6 -5.807 -3.396 2.211 47 1HG2 VAL 6 1HG2 VAL 6 -5.736 -2.797 6.109 48 2HG2 VAL 6 2HG2 VAL 6 -4.467 -3.849 5.486 49 3HG2 VAL 6 3HG2 VAL 6 -5.887 -4.546 6.261 50 H PHE 7 H PHE 7 -7.520 -2.402 1.805 51 HA PHE 7 HA PHE 7 -6.053 0.044 1.647 52 1HB PHE 7 2HB PHE 7 -6.454 -1.122 -0.418 53 2HB PHE 7 1HB PHE 7 -8.197 -1.085 -0.164 54 HD1 PHE 7 1HD PHE 7 -5.326 0.732 -1.434 55 HD2 PHE 7 2HD PHE 7 -9.418 1.127 -0.189 56 HE1 PHE 7 1HE PHE 7 -5.474 2.917 -2.561 57 HE2 PHE 7 2HE PHE 7 -9.556 3.312 -1.323 58 HZ PHE 7 HZ PHE 7 -7.587 4.209 -2.507 59 H GLU 8 H GLU 8 -9.572 -0.541 1.892 60 HA GLU 8 HA GLU 8 -10.430 2.148 1.847 61 1HB GLU 8 2HB GLU 8 -11.514 -0.270 3.312 62 2HB GLU 8 1HB GLU 8 -12.333 1.293 3.324 63 1HG GLU 8 2HG GLU 8 -12.530 1.270 0.901 64 2HG GLU 8 1HG GLU 8 -11.574 -0.213 0.805 65 H LYS 9 H LYS 9 -9.439 0.149 4.624 66 HA LYS 9 HA LYS 9 -9.811 2.035 6.665 67 1HB LYS 9 2HB LYS 9 -8.599 -0.469 6.454 68 2HB LYS 9 1HB LYS 9 -7.268 0.580 6.937 69 1HG LYS 9 2HG LYS 9 -9.947 0.581 8.355 70 2HG LYS 9 1HG LYS 9 -8.606 -0.458 8.845 71 1HD LYS 9 2HD LYS 9 -7.348 1.298 9.646 72 2HD LYS 9 1HD LYS 9 -7.983 2.435 8.461 73 1HE LYS 9 2HE LYS 9 -8.801 3.008 10.701 74 2HE LYS 9 1HE LYS 9 -10.141 2.483 9.680 75 1HZ LYS 9 1HZ LYS 9 -10.573 1.114 11.378 76 2HZ LYS 9 2HZ LYS 9 -9.007 1.237 12.027 77 3HZ LYS 9 3HZ LYS 9 -9.316 0.167 10.745 78 H PHE 10 H PHE 10 -7.135 1.742 4.343 79 HA PHE 10 HA PHE 10 -5.817 4.113 5.526 80 1HB PHE 10 2HB PHE 10 -4.989 2.476 3.149 81 2HB PHE 10 1HB PHE 10 -3.994 3.618 4.059 82 HD1 PHE 10 1HD PHE 10 -4.056 3.201 6.713 83 HD2 PHE 10 2HD PHE 10 -4.751 0.210 3.708 84 HE1 PHE 10 1HE PHE 10 -3.481 1.430 8.347 85 HE2 PHE 10 2HE PHE 10 -4.160 -1.557 5.341 86 HZ PHE 10 HZ PHE 10 -3.535 -0.954 7.661 87 H ASP 11 H ASP 11 -8.086 3.498 2.949 88 HA ASP 11 HA ASP 11 -7.385 5.421 1.066 89 1HB ASP 11 2HB ASP 11 -9.764 5.714 0.615 90 2HB ASP 11 1HB ASP 11 -9.464 4.013 0.979 91 H LYS 12 H LYS 12 -6.149 6.835 2.438 92 HA LYS 12 HA LYS 12 -7.532 8.643 4.289 93 1HB LYS 12 2HB LYS 12 -5.430 8.746 5.095 94 2HB LYS 12 1HB LYS 12 -4.879 7.778 3.731 95 1HG LYS 12 2HG LYS 12 -4.619 9.815 2.373 96 2HG LYS 12 1HG LYS 12 -5.158 10.789 3.744 97 1HD LYS 12 2HD LYS 12 -3.236 10.355 4.989 98 2HD LYS 12 1HD LYS 12 -2.905 8.851 4.125 99 1HE LYS 12 2HE LYS 12 -1.272 10.491 3.410 100 2HE LYS 12 1HE LYS 12 -2.395 10.240 2.076 101 1HZ LYS 12 1HZ LYS 12 -2.438 12.471 4.032 102 2HZ LYS 12 2HZ LYS 12 -3.637 12.201 2.858 103 3HZ LYS 12 3HZ LYS 12 -2.047 12.574 2.385 104 H ASN 13 H ASN 13 -7.127 8.376 0.998 105 HA ASN 13 HA ASN 13 -7.636 11.298 0.579 106 1HB ASN 13 2HB ASN 13 -6.779 10.792 -1.798 107 2HB ASN 13 1HB ASN 13 -5.567 10.847 -0.515 108 1HD2 ASN 13 1HD2 ASN 13 -7.870 8.168 -1.088 109 2HD2 ASN 13 2HD2 ASN 13 -6.681 7.016 -1.461 110 H LYS 14 H LYS 14 -9.247 8.673 0.998 111 HA LYS 14 HA LYS 14 -11.024 7.478 -0.165 112 1HB LYS 14 2HB LYS 14 -11.741 10.394 0.194 113 2HB LYS 14 1HB LYS 14 -12.898 9.232 -0.440 114 1HG LYS 14 2HG LYS 14 -12.436 7.803 1.603 115 2HG LYS 14 1HG LYS 14 -11.537 9.174 2.256 116 1HD LYS 14 2HD LYS 14 -13.502 10.576 2.207 117 2HD LYS 14 1HD LYS 14 -14.416 9.349 1.331 118 1HE LYS 14 2HE LYS 14 -13.982 7.807 3.329 119 2HE LYS 14 1HE LYS 14 -13.442 9.248 4.190 120 1HZ LYS 14 1HZ LYS 14 -16.118 8.482 3.339 121 2HZ LYS 14 2HZ LYS 14 -15.728 10.132 3.200 122 3HZ LYS 14 3HZ LYS 14 -15.621 9.352 4.707 123 H ASP 15 H ASP 15 -9.103 7.784 -1.914 124 HA ASP 15 HA ASP 15 -10.289 9.027 -4.354 125 1HB ASP 15 2HB ASP 15 -7.977 9.740 -3.513 126 2HB ASP 15 1HB ASP 15 -7.418 8.147 -4.035 127 H GLY 16 H GLY 16 -9.040 5.899 -3.050 128 1HA GLY 16 2HA GLY 16 -9.783 3.849 -4.006 129 2HA GLY 16 1HA GLY 16 -10.056 4.677 -5.548 130 H LYS 17 H LYS 17 -7.372 5.651 -3.780 131 HA LYS 17 HA LYS 17 -5.465 3.778 -4.914 132 1HB LYS 17 2HB LYS 17 -5.369 6.711 -5.607 133 2HB LYS 17 1HB LYS 17 -4.102 5.527 -5.896 134 1HG LYS 17 2HG LYS 17 -5.099 5.377 -7.960 135 2HG LYS 17 1HG LYS 17 -6.163 4.262 -7.113 136 1HD LYS 17 2HD LYS 17 -7.686 5.730 -8.134 137 2HD LYS 17 1HD LYS 17 -7.531 6.416 -6.509 138 1HE LYS 17 2HE LYS 17 -7.208 8.311 -7.828 139 2HE LYS 17 1HE LYS 17 -5.544 7.770 -7.599 140 1HZ LYS 17 1HZ LYS 17 -6.923 8.086 -9.996 141 2HZ LYS 17 2HZ LYS 17 -6.666 6.418 -9.794 142 3HZ LYS 17 3HZ LYS 17 -5.350 7.492 -9.771 143 H LEU 18 H LEU 18 -3.509 3.915 -3.951 144 HA LEU 18 HA LEU 18 -3.445 5.540 -1.461 145 1HB LEU 18 2HB LEU 18 -3.062 2.747 -1.929 146 2HB LEU 18 1HB LEU 18 -1.694 3.488 -1.138 147 HG LEU 18 HG LEU 18 -3.106 4.454 0.497 148 1HD1 LEU 18 1HD1 LEU 18 -5.315 4.660 0.432 149 2HD1 LEU 18 2HD1 LEU 18 -5.529 2.974 0.013 150 3HD1 LEU 18 3HD1 LEU 18 -5.210 4.167 -1.242 151 1HD2 LEU 18 1HD2 LEU 18 -3.653 2.357 1.590 152 2HD2 LEU 18 2HD2 LEU 18 -2.118 2.260 0.735 153 3HD2 LEU 18 3HD2 LEU 18 -3.572 1.551 0.028 154 H SER 19 H SER 19 -1.476 6.208 -0.735 155 HA SER 19 HA SER 19 0.518 6.684 -2.887 156 1HB SER 19 2HB SER 19 0.236 8.137 -0.278 157 2HB SER 19 1HB SER 19 1.143 8.656 -1.697 158 HG SER 19 HG SER 19 -0.872 8.803 -2.797 159 H LEU 20 H LEU 20 2.737 6.468 -2.262 160 HA LEU 20 HA LEU 20 3.397 4.196 -0.782 161 1HB LEU 20 2HB LEU 20 4.869 5.657 -2.308 162 2HB LEU 20 1HB LEU 20 5.093 6.698 -0.908 163 HG LEU 20 HG LEU 20 6.745 4.704 -1.498 164 1HD1 LEU 20 1HD1 LEU 20 7.254 6.202 0.225 165 2HD1 LEU 20 2HD1 LEU 20 7.250 4.611 0.987 166 3HD1 LEU 20 3HD1 LEU 20 5.867 5.687 1.182 167 1HD2 LEU 20 1HD2 LEU 20 5.145 3.354 0.627 168 2HD2 LEU 20 2HD2 LEU 20 6.282 2.663 -0.529 169 3HD2 LEU 20 3HD2 LEU 20 4.685 3.126 -1.042 170 H ASP 21 H ASP 21 2.450 7.233 0.085 171 HA ASP 21 HA ASP 21 3.384 7.317 2.813 172 1HB ASP 21 2HB ASP 21 0.907 8.731 1.831 173 2HB ASP 21 1HB ASP 21 2.056 9.253 3.060 174 H GLU 22 H GLU 22 0.154 6.305 1.341 175 HA GLU 22 HA GLU 22 -0.856 5.608 3.938 176 1HB GLU 22 2HB GLU 22 -1.719 5.169 1.121 177 2HB GLU 22 1HB GLU 22 -2.546 4.348 2.448 178 1HG GLU 22 2HG GLU 22 -3.689 6.451 1.946 179 2HG GLU 22 1HG GLU 22 -2.922 6.559 3.529 180 H PHE 23 H PHE 23 0.574 3.791 1.257 181 HA PHE 23 HA PHE 23 0.262 1.218 2.440 182 1HB PHE 23 2HB PHE 23 0.633 1.414 0.076 183 2HB PHE 23 1HB PHE 23 2.134 2.249 0.365 184 HD1 PHE 23 1HD PHE 23 0.527 -0.909 1.557 185 HD2 PHE 23 2HD PHE 23 4.037 0.983 -0.011 186 HE1 PHE 23 1HE PHE 23 1.721 -3.080 1.624 187 HE2 PHE 23 2HE PHE 23 5.238 -1.184 0.051 188 HZ PHE 23 HZ PHE 23 4.078 -3.218 0.868 189 H ARG 24 H ARG 24 2.513 3.890 2.820 190 HA ARG 24 HA ARG 24 4.586 2.293 4.150 191 1HB ARG 24 2HB ARG 24 5.270 4.294 2.950 192 2HB ARG 24 1HB ARG 24 4.164 5.280 3.909 193 1HG ARG 24 2HG ARG 24 5.645 5.426 5.607 194 2HG ARG 24 1HG ARG 24 5.885 3.690 5.625 195 1HD ARG 24 2HD ARG 24 7.936 4.038 4.831 196 2HD ARG 24 1HD ARG 24 7.220 4.569 3.317 197 HE ARG 24 HE ARG 24 8.698 6.227 5.034 198 1HH1 ARG 24 1HH2 ARG 24 5.536 6.178 3.657 199 2HH1 ARG 24 2HH2 ARG 24 5.312 7.887 3.788 200 1HH2 ARG 24 1HH1 ARG 24 8.423 8.452 5.202 201 2HH2 ARG 24 2HH1 ARG 24 6.945 9.174 4.659 202 H GLU 25 H GLU 25 1.792 4.166 4.933 203 HA GLU 25 HA GLU 25 2.280 4.212 7.835 204 1HB GLU 25 2HB GLU 25 0.710 5.847 6.722 205 2HB GLU 25 1HB GLU 25 -0.349 4.495 6.316 206 1HG GLU 25 2HG GLU 25 -1.225 5.434 8.334 207 2HG GLU 25 1HG GLU 25 -0.394 3.951 8.804 208 H VAL 26 H VAL 26 0.696 2.399 5.387 209 HA VAL 26 HA VAL 26 -0.575 0.301 6.851 210 HB VAL 26 HB VAL 26 0.412 0.943 4.137 211 1HG1 VAL 26 1HG1 VAL 26 -0.076 -1.840 5.028 212 2HG1 VAL 26 2HG1 VAL 26 1.134 -1.212 3.906 213 3HG1 VAL 26 3HG1 VAL 26 -0.549 -1.365 3.400 214 1HG2 VAL 26 1HG2 VAL 26 -2.052 0.988 5.402 215 2HG2 VAL 26 2HG2 VAL 26 -2.145 -0.278 4.178 216 3HG2 VAL 26 3HG2 VAL 26 -1.696 1.362 3.718 217 H ALA 27 H ALA 27 2.549 0.750 5.337 218 HA ALA 27 HA ALA 27 3.495 -1.895 5.939 219 1HB ALA 27 1HB ALA 27 5.506 -1.262 4.841 220 2HB ALA 27 2HB ALA 27 5.202 0.448 5.126 221 3HB ALA 27 3HB ALA 27 4.215 -0.443 3.970 222 H LEU 28 H LEU 28 3.701 1.239 7.363 223 HA LEU 28 HA LEU 28 5.752 0.465 9.324 224 1HB LEU 28 2HB LEU 28 4.140 2.941 8.784 225 2HB LEU 28 1HB LEU 28 4.941 2.759 10.340 226 HG LEU 28 HG LEU 28 7.060 2.944 9.443 227 1HD1 LEU 28 1HD1 LEU 28 7.233 1.123 7.963 228 2HD1 LEU 28 2HD1 LEU 28 7.449 2.511 6.904 229 3HD1 LEU 28 3HD1 LEU 28 5.899 1.686 6.962 230 1HD2 LEU 28 1HD2 LEU 28 6.935 4.560 7.426 231 2HD2 LEU 28 2HD2 LEU 28 6.147 5.056 8.922 232 3HD2 LEU 28 3HD2 LEU 28 5.185 4.419 7.594 233 H ALA 29 H ALA 29 2.227 0.729 9.151 234 HA ALA 29 HA ALA 29 1.826 0.493 11.998 235 1HB ALA 29 1HB ALA 29 0.200 1.606 10.580 236 2HB ALA 29 2HB ALA 29 -0.546 0.162 11.266 237 3HB ALA 29 3HB ALA 29 0.017 0.156 9.594 238 H PHE 30 H PHE 30 1.017 -1.744 9.306 239 HA PHE 30 HA PHE 30 0.659 -3.945 11.194 240 1HB PHE 30 2HB PHE 30 -0.730 -3.699 9.147 241 2HB PHE 30 1HB PHE 30 0.707 -4.001 8.166 242 HD1 PHE 30 1HD PHE 30 1.797 -6.210 8.166 243 HD2 PHE 30 2HD PHE 30 -1.791 -5.481 10.413 244 HE1 PHE 30 1HE PHE 30 1.463 -8.653 8.425 245 HE2 PHE 30 2HE PHE 30 -2.125 -7.924 10.671 246 HZ PHE 30 HZ PHE 30 -0.498 -9.510 9.677 247 H SER 31 H SER 31 3.004 -3.244 8.586 248 HA SER 31 HA SER 31 4.737 -5.408 9.725 249 1HB SER 31 2HB SER 31 5.634 -5.741 7.559 250 2HB SER 31 1HB SER 31 3.905 -5.546 7.292 251 HG SER 31 HG SER 31 5.572 -3.289 7.287 252 HA PRO 32 HA PRO 32 6.564 -1.128 10.607 253 1HB PRO 32 2HB PRO 32 7.701 -2.165 12.994 254 2HB PRO 32 1HB PRO 32 6.291 -1.096 12.864 255 1HG PRO 32 2HG PRO 32 6.411 -4.019 13.263 256 2HG PRO 32 1HG PRO 32 5.171 -2.853 13.762 257 1HD PRO 32 2HD PRO 32 4.801 -4.590 11.704 258 2HD PRO 32 1HD PRO 32 4.044 -2.983 11.736 259 H TYR 33 H TYR 33 7.745 -4.417 10.443 260 HA TYR 33 HA TYR 33 10.554 -3.649 10.462 261 1HB TYR 33 2HB TYR 33 9.870 -6.242 9.238 262 2HB TYR 33 1HB TYR 33 10.939 -5.886 10.598 263 HD1 TYR 33 1HD TYR 33 7.775 -7.220 9.629 264 HD2 TYR 33 2HD TYR 33 9.788 -5.195 12.838 265 HE1 TYR 33 1HE TYR 33 6.018 -7.974 11.207 266 HE2 TYR 33 2HE TYR 33 8.030 -5.951 14.417 267 HH TYR 33 HH TYR 33 5.094 -7.427 13.325 268 H PHE 34 H PHE 34 8.132 -3.221 8.186 269 HA PHE 34 HA PHE 34 9.539 -4.002 5.789 270 1HB PHE 34 2HB PHE 34 7.144 -2.328 6.390 271 2HB PHE 34 1HB PHE 34 8.026 -1.883 4.948 272 HD1 PHE 34 1HD PHE 34 6.637 -2.648 3.158 273 HD2 PHE 34 2HD PHE 34 7.619 -5.241 6.434 274 HE1 PHE 34 1HE PHE 34 5.623 -4.562 1.952 275 HE2 PHE 34 2HE PHE 34 6.603 -7.159 5.229 276 HZ PHE 34 HZ PHE 34 5.604 -6.815 2.985 277 H THR 35 H THR 35 11.312 -3.189 5.023 278 HA THR 35 HA THR 35 12.396 -0.749 6.171 279 HB THR 35 HB THR 35 13.941 -1.482 3.926 280 HG1 THR 35 1HG THR 35 12.469 -3.434 4.224 281 1HG2 THR 35 1HG2 THR 35 15.471 -2.244 5.711 282 2HG2 THR 35 2HG2 THR 35 14.136 -2.150 6.862 283 3HG2 THR 35 3HG2 THR 35 14.732 -0.685 6.081 284 H GLN 36 H GLN 36 12.643 1.187 5.188 285 HA GLN 36 HA GLN 36 10.677 2.136 3.475 286 1HB GLN 36 2HB GLN 36 12.370 3.409 4.887 287 2HB GLN 36 1HB GLN 36 13.513 3.162 3.567 288 1HG GLN 36 2HG GLN 36 12.265 5.356 3.471 289 2HG GLN 36 1HG GLN 36 12.130 4.382 2.018 290 1HE2 GLN 36 1HE2 GLN 36 10.045 5.153 1.374 291 2HE2 GLN 36 2HE2 GLN 36 8.645 4.865 2.282 292 H GLU 37 H GLU 37 13.679 0.548 2.704 293 HA GLU 37 HA GLU 37 13.598 1.229 -0.144 294 1HB GLU 37 2HB GLU 37 15.072 -1.052 1.230 295 2HB GLU 37 1HB GLU 37 15.394 -0.422 -0.386 296 1HG GLU 37 2HG GLU 37 15.825 1.835 0.709 297 2HG GLU 37 1HG GLU 37 15.788 0.995 2.259 298 H ASP 38 H ASP 38 12.456 -1.426 1.893 299 HA ASP 38 HA ASP 38 11.626 -3.099 -0.333 300 1HB ASP 38 2HB ASP 38 11.981 -3.565 2.321 301 2HB ASP 38 1HB ASP 38 10.230 -3.356 2.287 302 H ILE 39 H ILE 39 10.063 -0.693 1.745 303 HA ILE 39 HA ILE 39 7.408 -1.079 0.675 304 HB ILE 39 HB ILE 39 8.456 1.494 1.872 305 1HG1 ILE 39 2HG1 ILE 39 7.271 -0.721 3.507 306 2HG1 ILE 39 1HG1 ILE 39 8.997 -0.722 3.177 307 1HG2 ILE 39 1HG2 ILE 39 5.789 0.254 2.438 308 2HG2 ILE 39 2HG2 ILE 39 6.038 1.020 0.874 309 3HG2 ILE 39 3HG2 ILE 39 6.235 1.958 2.352 310 1HD1 ILE 39 1HD1 ILE 39 8.192 1.922 4.008 311 2HD1 ILE 39 2HD1 ILE 39 9.316 0.819 4.797 312 3HD1 ILE 39 3HD1 ILE 39 7.597 0.742 5.174 313 H VAL 40 H VAL 40 9.987 1.247 0.026 314 HA VAL 40 HA VAL 40 8.526 2.600 -2.083 315 HB VAL 40 HB VAL 40 10.594 3.804 -2.402 316 1HG1 VAL 40 1HG1 VAL 40 9.244 4.557 -0.602 317 2HG1 VAL 40 2HG1 VAL 40 10.887 4.487 0.033 318 3HG1 VAL 40 3HG1 VAL 40 9.739 3.209 0.419 319 1HG2 VAL 40 1HG2 VAL 40 12.378 2.400 -2.287 320 2HG2 VAL 40 2HG2 VAL 40 11.667 1.448 -0.988 321 3HG2 VAL 40 3HG2 VAL 40 12.416 3.011 -0.634 322 H LYS 41 H LYS 41 11.140 0.113 -2.067 323 HA LYS 41 HA LYS 41 11.474 0.150 -4.910 324 1HB LYS 41 2HB LYS 41 12.942 -1.141 -3.303 325 2HB LYS 41 1HB LYS 41 11.600 -2.269 -3.058 326 1HG LYS 41 2HG LYS 41 11.679 -3.014 -5.309 327 2HG LYS 41 1HG LYS 41 12.672 -1.648 -5.816 328 1HD LYS 41 2HD LYS 41 14.033 -3.695 -5.628 329 2HD LYS 41 1HD LYS 41 14.541 -2.492 -4.440 330 1HE LYS 41 2HE LYS 41 12.491 -4.586 -3.728 331 2HE LYS 41 1HE LYS 41 14.215 -4.941 -3.635 332 1HZ LYS 41 1HZ LYS 41 12.604 -3.423 -1.861 333 2HZ LYS 41 2HZ LYS 41 13.897 -2.483 -2.439 334 3HZ LYS 41 3HZ LYS 41 14.199 -3.963 -1.662 335 H PHE 42 H PHE 42 9.572 -1.977 -2.802 336 HA PHE 42 HA PHE 42 8.025 -3.205 -4.789 337 1HB PHE 42 2HB PHE 42 8.278 -3.917 -2.418 338 2HB PHE 42 1HB PHE 42 7.252 -2.569 -1.930 339 HD1 PHE 42 1HD PHE 42 5.166 -3.355 -1.304 340 HD2 PHE 42 2HD PHE 42 7.073 -5.047 -4.763 341 HE1 PHE 42 1HE PHE 42 3.173 -4.750 -1.725 342 HE2 PHE 42 2HE PHE 42 5.070 -6.433 -5.191 343 HZ PHE 42 HZ PHE 42 3.125 -6.290 -3.671 344 H PHE 43 H PHE 43 7.126 -0.355 -2.733 345 HA PHE 43 HA PHE 43 4.578 0.059 -3.953 346 1HB PHE 43 2HB PHE 43 5.199 1.235 -1.950 347 2HB PHE 43 1HB PHE 43 6.579 1.977 -2.756 348 HD1 PHE 43 1HD PHE 43 3.068 2.222 -2.051 349 HD2 PHE 43 2HD PHE 43 6.159 3.589 -4.681 350 HE1 PHE 43 1HE PHE 43 1.678 4.163 -2.679 351 HE2 PHE 43 2HE PHE 43 4.754 5.514 -5.313 352 HZ PHE 43 HZ PHE 43 2.517 5.807 -4.326 353 H GLU 44 H GLU 44 7.734 1.368 -4.667 354 HA GLU 44 HA GLU 44 7.033 2.902 -6.993 355 1HB GLU 44 2HB GLU 44 9.599 1.404 -6.344 356 2HB GLU 44 1HB GLU 44 9.424 2.492 -7.714 357 1HG GLU 44 2HG GLU 44 8.649 3.501 -5.000 358 2HG GLU 44 1HG GLU 44 10.366 3.391 -5.402 359 H GLU 45 H GLU 45 7.619 -0.493 -6.410 360 HA GLU 45 HA GLU 45 7.510 -1.348 -9.182 361 1HB GLU 45 2HB GLU 45 8.491 -2.469 -6.946 362 2HB GLU 45 1HB GLU 45 6.894 -3.224 -6.948 363 1HG GLU 45 2HG GLU 45 8.887 -3.240 -9.229 364 2HG GLU 45 1HG GLU 45 8.515 -4.610 -8.182 365 H ILE 46 H ILE 46 5.203 -1.321 -6.454 366 HA ILE 46 HA ILE 46 3.181 -2.670 -8.085 367 HB ILE 46 HB ILE 46 3.608 -2.562 -5.388 368 1HG1 ILE 46 2HG1 ILE 46 1.273 -3.556 -5.242 369 2HG1 ILE 46 1HG1 ILE 46 1.080 -3.137 -6.945 370 1HG2 ILE 46 1HG2 ILE 46 1.873 -1.333 -4.320 371 2HG2 ILE 46 2HG2 ILE 46 1.174 -0.862 -5.867 372 3HG2 ILE 46 3HG2 ILE 46 2.740 -0.217 -5.373 373 1HD1 ILE 46 1HD1 ILE 46 2.283 -4.929 -7.602 374 2HD1 ILE 46 2HD1 ILE 46 2.209 -5.492 -5.934 375 3HD1 ILE 46 3HD1 ILE 46 3.592 -4.548 -6.484 376 H ASP 47 H ASP 47 3.770 0.669 -6.969 377 HA ASP 47 HA ASP 47 1.273 1.692 -7.999 378 1HB ASP 47 2HB ASP 47 2.750 2.996 -6.455 379 2HB ASP 47 1HB ASP 47 3.959 3.101 -7.738 380 H VAL 48 H VAL 48 1.212 0.385 -10.068 381 HA VAL 48 HA VAL 48 3.253 0.659 -12.051 382 HB VAL 48 HB VAL 48 1.748 -1.248 -11.868 383 1HG1 VAL 48 1HG1 VAL 48 -0.605 0.292 -12.825 384 2HG1 VAL 48 2HG1 VAL 48 -0.166 0.500 -11.134 385 3HG1 VAL 48 3HG1 VAL 48 -0.535 -1.107 -11.755 386 1HG2 VAL 48 1HG2 VAL 48 1.204 -1.470 -14.178 387 2HG2 VAL 48 2HG2 VAL 48 2.550 -0.329 -14.161 388 3HG2 VAL 48 3HG2 VAL 48 0.897 0.258 -14.345 389 H ASP 49 H ASP 49 0.375 2.463 -11.298 390 HA ASP 49 HA ASP 49 0.113 3.565 -13.971 391 1HB ASP 49 2HB ASP 49 -1.938 3.941 -13.162 392 2HB ASP 49 1HB ASP 49 -1.402 3.526 -11.535 393 H GLY 50 H GLY 50 2.097 4.219 -11.290 394 1HA GLY 50 2HA GLY 50 3.744 5.757 -11.018 395 2HA GLY 50 1HA GLY 50 3.505 6.255 -12.687 396 H ASN 51 H ASN 51 0.630 6.515 -10.834 397 HA ASN 51 HA ASN 51 0.783 9.429 -10.983 398 1HB ASN 51 2HB ASN 51 -1.379 8.149 -11.261 399 2HB ASN 51 1HB ASN 51 -1.285 7.733 -9.545 400 1HD2 ASN 51 1HD2 ASN 51 -3.198 9.004 -9.005 401 2HD2 ASN 51 2HD2 ASN 51 -3.168 10.701 -9.027 402 H GLY 52 H GLY 52 2.379 7.396 -9.186 403 1HA GLY 52 2HA GLY 52 3.598 7.752 -7.198 404 2HA GLY 52 1HA GLY 52 2.725 9.271 -6.999 405 H GLU 53 H GLU 53 0.753 6.527 -7.585 406 HA GLU 53 HA GLU 53 0.335 6.025 -4.694 407 1HB GLU 53 2HB GLU 53 -2.166 6.390 -6.244 408 2HB GLU 53 1HB GLU 53 -1.817 6.872 -4.587 409 1HG GLU 53 2HG GLU 53 -0.444 8.759 -5.452 410 2HG GLU 53 1HG GLU 53 -0.885 8.297 -7.097 411 H LEU 54 H LEU 54 -0.894 4.115 -4.244 412 HA LEU 54 HA LEU 54 -0.460 2.013 -6.227 413 1HB LEU 54 2HB LEU 54 -1.898 2.047 -3.568 414 2HB LEU 54 1HB LEU 54 -1.545 0.640 -4.488 415 HG LEU 54 HG LEU 54 0.293 0.468 -3.240 416 1HD1 LEU 54 1HD1 LEU 54 1.219 1.355 -5.433 417 2HD1 LEU 54 2HD1 LEU 54 2.253 1.531 -4.030 418 3HD1 LEU 54 3HD1 LEU 54 1.345 2.915 -4.635 419 1HD2 LEU 54 1HD2 LEU 54 1.075 2.382 -1.885 420 2HD2 LEU 54 2HD2 LEU 54 -0.622 1.991 -1.678 421 3HD2 LEU 54 3HD2 LEU 54 -0.153 3.365 -2.673 422 H ASN 55 H ASN 55 -2.055 1.146 -7.520 423 HA ASN 55 HA ASN 55 -4.693 2.506 -7.438 424 1HB ASN 55 2HB ASN 55 -4.836 0.568 -9.446 425 2HB ASN 55 1HB ASN 55 -4.493 2.278 -9.684 426 1HD2 ASN 55 1HD2 ASN 55 -3.418 -0.417 -10.875 427 2HD2 ASN 55 2HD2 ASN 55 -1.742 -0.190 -10.860 428 H ALA 56 H ALA 56 -6.546 0.843 -7.965 429 HA ALA 56 HA ALA 56 -6.893 -0.698 -5.632 430 1HB ALA 56 1HB ALA 56 -8.378 -0.672 -8.239 431 2HB ALA 56 2HB ALA 56 -8.792 0.177 -6.751 432 3HB ALA 56 3HB ALA 56 -8.927 -1.579 -6.828 433 H ASP 57 H ASP 57 -6.526 -2.069 -8.940 434 HA ASP 57 HA ASP 57 -6.325 -4.760 -8.038 435 1HB ASP 57 2HB ASP 57 -6.622 -4.127 -10.420 436 2HB ASP 57 1HB ASP 57 -4.974 -3.501 -10.447 437 H GLU 58 H GLU 58 -4.024 -2.175 -8.117 438 HA GLU 58 HA GLU 58 -1.720 -3.878 -7.643 439 1HB GLU 58 2HB GLU 58 -2.123 -0.882 -7.581 440 2HB GLU 58 1HB GLU 58 -0.612 -1.616 -7.066 441 1HG GLU 58 2HG GLU 58 -1.920 -1.983 -9.774 442 2HG GLU 58 1HG GLU 58 -0.529 -0.958 -9.440 443 H PHE 59 H PHE 59 -4.117 -2.215 -5.717 444 HA PHE 59 HA PHE 59 -2.806 -2.273 -3.178 445 1HB PHE 59 2HB PHE 59 -5.688 -3.147 -3.618 446 2HB PHE 59 1HB PHE 59 -4.966 -2.549 -2.157 447 HD1 PHE 59 1HD PHE 59 -7.486 -1.588 -3.299 448 HD2 PHE 59 2HD PHE 59 -3.445 -0.288 -3.865 449 HE1 PHE 59 1HE PHE 59 -8.300 0.679 -3.841 450 HE2 PHE 59 2HE PHE 59 -4.258 1.966 -4.408 451 HZ PHE 59 HZ PHE 59 -6.690 2.438 -4.430 452 H THR 60 H THR 60 -4.632 -4.732 -5.032 453 HA THR 60 HA THR 60 -4.498 -6.762 -3.010 454 HB THR 60 HB THR 60 -5.246 -8.255 -4.744 455 HG1 THR 60 1HG THR 60 -5.109 -7.642 -6.906 456 1HG2 THR 60 1HG2 THR 60 -7.144 -6.976 -5.614 457 2HG2 THR 60 2HG2 THR 60 -6.308 -5.464 -5.257 458 3HG2 THR 60 3HG2 THR 60 -6.825 -6.519 -3.941 459 H SER 61 H SER 61 -2.527 -6.239 -5.941 460 HA SER 61 HA SER 61 -0.710 -8.382 -5.304 461 1HB SER 61 2HB SER 61 -1.000 -7.095 -7.544 462 2HB SER 61 1HB SER 61 0.071 -5.892 -6.827 463 HG SER 61 HG SER 61 1.647 -7.451 -6.633 464 H CYS 62 H CYS 62 -1.182 -5.195 -4.025 465 HA CYS 62 HA CYS 62 1.536 -4.791 -3.084 466 1HB CYS 62 2HB CYS 62 -0.262 -2.979 -3.354 467 2HB CYS 62 1HB CYS 62 -0.981 -3.624 -1.881 468 HG CYS 62 HG CYS 62 1.535 -3.181 -0.822 469 H ILE 63 H ILE 63 -1.507 -6.014 -1.749 470 HA ILE 63 HA ILE 63 -0.237 -6.738 0.768 471 HB ILE 63 HB ILE 63 -2.867 -7.781 -0.305 472 1HG1 ILE 63 2HG1 ILE 63 -3.154 -5.436 -0.444 473 2HG1 ILE 63 1HG1 ILE 63 -3.768 -5.828 1.154 474 1HG2 ILE 63 1HG2 ILE 63 -2.056 -7.200 2.546 475 2HG2 ILE 63 2HG2 ILE 63 -1.716 -8.752 1.784 476 3HG2 ILE 63 3HG2 ILE 63 -3.383 -8.209 1.972 477 1HD1 ILE 63 1HD1 ILE 63 -1.407 -5.342 2.015 478 2HD1 ILE 63 2HD1 ILE 63 -2.353 -3.954 1.485 479 3HD1 ILE 63 3HD1 ILE 63 -1.099 -4.615 0.439 480 H GLU 64 H GLU 64 -1.015 -8.438 -2.345 481 HA GLU 64 HA GLU 64 -0.584 -11.030 -1.551 482 1HB GLU 64 2HB GLU 64 -1.101 -10.166 -3.887 483 2HB GLU 64 1HB GLU 64 0.614 -9.785 -4.038 484 1HG GLU 64 2HG GLU 64 0.363 -11.956 -4.990 485 2HG GLU 64 1HG GLU 64 1.060 -12.222 -3.392 486 H LYS 65 H LYS 65 1.739 -8.329 -1.716 487 HA LYS 65 HA LYS 65 4.145 -9.828 -1.765 488 1HB LYS 65 2HB LYS 65 3.748 -7.253 -1.461 489 2HB LYS 65 1HB LYS 65 3.733 -7.628 0.262 490 1HG LYS 65 2HG LYS 65 5.963 -8.350 0.260 491 2HG LYS 65 1HG LYS 65 5.954 -8.664 -1.475 492 1HD LYS 65 2HD LYS 65 6.159 -6.410 -2.026 493 2HD LYS 65 1HD LYS 65 5.544 -5.869 -0.466 494 1HE LYS 65 2HE LYS 65 8.125 -7.416 -0.612 495 2HE LYS 65 1HE LYS 65 8.122 -5.684 -0.958 496 1HZ LYS 65 1HZ LYS 65 7.455 -5.173 1.170 497 2HZ LYS 65 2HZ LYS 65 8.477 -6.503 1.450 498 3HZ LYS 65 3HZ LYS 65 6.790 -6.706 1.463 499 H MET 66 H MET 66 1.541 -10.004 0.344 500 HA MET 66 HA MET 66 2.728 -12.079 1.959 501 1HB MET 66 2HB MET 66 2.043 -10.910 4.112 502 2HB MET 66 1HB MET 66 3.452 -10.201 3.326 503 1HG MET 66 2HG MET 66 2.115 -8.428 2.375 504 2HG MET 66 1HG MET 66 0.623 -9.196 2.917 505 1HE MET 66 1HE MET 66 3.320 -6.761 3.532 506 2HE MET 66 2HE MET 66 4.150 -8.116 4.293 507 3HE MET 66 3HE MET 66 3.646 -6.739 5.270 508 H LEU 67 H LEU 67 0.632 -12.275 3.780 509 HA LEU 67 HA LEU 67 -1.570 -13.048 3.880 510 1HB LEU 67 2HB LEU 67 -1.740 -10.453 3.379 511 2HB LEU 67 1HB LEU 67 -2.317 -11.001 1.808 512 HG LEU 67 HG LEU 67 -4.244 -10.682 3.237 513 1HD1 LEU 67 1HD1 LEU 67 -3.725 -13.661 3.209 514 2HD1 LEU 67 2HD1 LEU 67 -4.073 -12.747 1.740 515 3HD1 LEU 67 3HD1 LEU 67 -5.266 -12.824 3.037 516 1HD2 LEU 67 1HD2 LEU 67 -2.634 -11.192 5.345 517 2HD2 LEU 67 2HD2 LEU 67 -3.400 -12.773 5.197 518 3HD2 LEU 67 3HD2 LEU 67 -4.388 -11.334 5.440 Start of MODEL 16 1 HA SER 1 HA SER 1 -7.443 -10.890 -0.546 2 1HB SER 1 2HB SER 1 -7.696 -13.093 0.292 3 2HB SER 1 1HB SER 1 -6.758 -12.739 1.740 4 HG SER 1 HG SER 1 -9.396 -12.039 1.075 5 H SER 2 H SER 2 -8.957 -9.930 1.275 6 HA SER 2 HA SER 2 -9.350 -8.067 2.660 7 1HB SER 2 2HB SER 2 -6.655 -8.596 3.894 8 2HB SER 2 1HB SER 2 -8.114 -7.990 4.664 9 HG SER 2 HG SER 2 -8.988 -10.001 4.605 10 H ALA 3 H ALA 3 -7.522 -7.847 0.160 11 HA ALA 3 HA ALA 3 -5.694 -5.707 0.912 12 1HB ALA 3 1HB ALA 3 -5.264 -5.540 -1.495 13 2HB ALA 3 2HB ALA 3 -6.587 -6.664 -1.807 14 3HB ALA 3 3HB ALA 3 -5.153 -7.211 -0.940 15 H LYS 4 H LYS 4 -8.897 -5.936 -0.540 16 HA LYS 4 HA LYS 4 -8.966 -3.058 -1.094 17 1HB LYS 4 2HB LYS 4 -10.275 -4.363 -2.580 18 2HB LYS 4 1HB LYS 4 -10.991 -5.295 -1.271 19 1HG LYS 4 2HG LYS 4 -12.580 -3.701 -0.840 20 2HG LYS 4 1HG LYS 4 -11.456 -2.369 -1.105 21 1HD LYS 4 2HD LYS 4 -12.421 -4.034 -3.428 22 2HD LYS 4 1HD LYS 4 -13.403 -2.708 -2.807 23 1HE LYS 4 2HE LYS 4 -10.497 -2.219 -3.397 24 2HE LYS 4 1HE LYS 4 -11.652 -2.253 -4.730 25 1HZ LYS 4 1HZ LYS 4 -12.955 -0.714 -3.012 26 2HZ LYS 4 2HZ LYS 4 -11.876 -0.098 -4.173 27 3HZ LYS 4 3HZ LYS 4 -11.364 -0.330 -2.569 28 H ARG 5 H ARG 5 -10.053 -5.315 1.373 29 HA ARG 5 HA ARG 5 -11.640 -3.485 2.917 30 1HB ARG 5 2HB ARG 5 -11.453 -6.052 3.127 31 2HB ARG 5 1HB ARG 5 -9.967 -5.742 4.035 32 1HG ARG 5 2HG ARG 5 -11.331 -5.599 5.853 33 2HG ARG 5 1HG ARG 5 -11.749 -4.001 5.236 34 1HD ARG 5 2HD ARG 5 -13.802 -5.233 5.663 35 2HD ARG 5 1HD ARG 5 -13.605 -5.055 3.920 36 HE ARG 5 HE ARG 5 -12.410 -7.491 4.469 37 1HH1 ARG 5 1HH2 ARG 5 -15.449 -5.997 5.116 38 2HH1 ARG 5 2HH2 ARG 5 -16.334 -7.485 5.095 39 1HH2 ARG 5 1HH1 ARG 5 -13.551 -9.443 4.437 40 2HH2 ARG 5 2HH1 ARG 5 -15.262 -9.435 4.711 41 H VAL 6 H VAL 6 -8.269 -4.593 3.292 42 HA VAL 6 HA VAL 6 -7.606 -2.851 5.434 43 HB VAL 6 HB VAL 6 -6.351 -4.884 4.051 44 1HG1 VAL 6 1HG1 VAL 6 -4.143 -3.822 3.359 45 2HG1 VAL 6 2HG1 VAL 6 -5.019 -2.297 3.286 46 3HG1 VAL 6 3HG1 VAL 6 -5.501 -3.638 2.254 47 1HG2 VAL 6 1HG2 VAL 6 -4.292 -4.086 5.518 48 2HG2 VAL 6 2HG2 VAL 6 -5.764 -4.681 6.282 49 3HG2 VAL 6 3HG2 VAL 6 -5.476 -2.949 6.165 50 H PHE 7 H PHE 7 -7.479 -2.465 1.960 51 HA PHE 7 HA PHE 7 -6.177 0.110 1.964 52 1HB PHE 7 2HB PHE 7 -6.195 -1.020 -0.128 53 2HB PHE 7 1HB PHE 7 -7.935 -1.273 -0.064 54 HD1 PHE 7 1HD PHE 7 -6.839 2.044 1.011 55 HD2 PHE 7 2HD PHE 7 -7.894 -0.315 -2.419 56 HE1 PHE 7 1HE PHE 7 -7.266 4.088 -0.274 57 HE2 PHE 7 2HE PHE 7 -8.266 1.761 -3.692 58 HZ PHE 7 HZ PHE 7 -7.993 3.958 -2.604 59 H GLU 8 H GLU 8 -9.663 -0.797 1.896 60 HA GLU 8 HA GLU 8 -10.749 1.791 1.784 61 1HB GLU 8 2HB GLU 8 -11.623 -0.671 3.313 62 2HB GLU 8 1HB GLU 8 -12.569 0.818 3.328 63 1HG GLU 8 2HG GLU 8 -13.001 0.713 1.010 64 2HG GLU 8 1HG GLU 8 -11.686 -0.432 0.728 65 H LYS 9 H LYS 9 -9.755 -0.020 4.681 66 HA LYS 9 HA LYS 9 -10.202 2.007 6.588 67 1HB LYS 9 2HB LYS 9 -8.957 -0.548 6.530 68 2HB LYS 9 1HB LYS 9 -7.788 0.559 7.247 69 1HG LYS 9 2HG LYS 9 -10.677 0.269 8.122 70 2HG LYS 9 1HG LYS 9 -9.289 -0.436 8.956 71 1HD LYS 9 2HD LYS 9 -8.830 1.518 9.998 72 2HD LYS 9 1HD LYS 9 -8.847 2.400 8.473 73 1HE LYS 9 2HE LYS 9 -11.168 2.823 8.609 74 2HE LYS 9 1HE LYS 9 -11.416 1.568 9.822 75 1HZ LYS 9 1HZ LYS 9 -11.459 3.623 10.950 76 2HZ LYS 9 2HZ LYS 9 -10.058 4.180 10.164 77 3HZ LYS 9 3HZ LYS 9 -9.953 2.928 11.309 78 H PHE 10 H PHE 10 -7.402 1.503 4.437 79 HA PHE 10 HA PHE 10 -6.001 3.803 5.628 80 1HB PHE 10 2HB PHE 10 -5.245 2.223 3.201 81 2HB PHE 10 1HB PHE 10 -4.199 3.219 4.207 82 HD1 PHE 10 1HD PHE 10 -5.066 2.460 6.935 83 HD2 PHE 10 2HD PHE 10 -4.370 0.021 3.463 84 HE1 PHE 10 1HE PHE 10 -4.552 0.533 8.394 85 HE2 PHE 10 2HE PHE 10 -3.842 -1.904 4.939 86 HZ PHE 10 HZ PHE 10 -3.942 -1.651 7.398 87 H ASP 11 H ASP 11 -8.150 3.214 2.942 88 HA ASP 11 HA ASP 11 -7.301 5.224 1.188 89 1HB ASP 11 2HB ASP 11 -9.363 3.595 1.065 90 2HB ASP 11 1HB ASP 11 -10.214 4.934 1.825 91 H LYS 12 H LYS 12 -6.331 6.702 2.507 92 HA LYS 12 HA LYS 12 -7.843 8.340 4.409 93 1HB LYS 12 2HB LYS 12 -5.744 8.922 5.076 94 2HB LYS 12 1HB LYS 12 -5.229 7.655 3.965 95 1HG LYS 12 2HG LYS 12 -5.378 9.579 2.162 96 2HG LYS 12 1HG LYS 12 -5.196 10.624 3.566 97 1HD LYS 12 2HD LYS 12 -3.022 9.991 3.916 98 2HD LYS 12 1HD LYS 12 -3.323 8.321 3.440 99 1HE LYS 12 2HE LYS 12 -2.912 10.706 1.620 100 2HE LYS 12 1HE LYS 12 -1.902 9.270 1.758 101 1HZ LYS 12 1HZ LYS 12 -4.565 9.537 0.536 102 2HZ LYS 12 2HZ LYS 12 -4.031 8.027 1.105 103 3HZ LYS 12 3HZ LYS 12 -3.160 8.839 -0.108 104 H ASN 13 H ASN 13 -7.452 8.227 1.086 105 HA ASN 13 HA ASN 13 -8.274 11.096 0.786 106 1HB ASN 13 2HB ASN 13 -7.319 10.905 -1.546 107 2HB ASN 13 1HB ASN 13 -6.111 10.813 -0.260 108 1HD2 ASN 13 1HD2 ASN 13 -4.597 9.449 -1.365 109 2HD2 ASN 13 2HD2 ASN 13 -4.959 7.853 -1.817 110 H LYS 14 H LYS 14 -9.696 8.361 1.085 111 HA LYS 14 HA LYS 14 -11.348 7.077 -0.179 112 1HB LYS 14 2HB LYS 14 -12.501 9.878 -0.265 113 2HB LYS 14 1HB LYS 14 -13.377 8.353 -0.168 114 1HG LYS 14 2HG LYS 14 -12.156 7.956 2.047 115 2HG LYS 14 1HG LYS 14 -11.684 9.652 1.965 116 1HD LYS 14 2HD LYS 14 -13.657 9.962 3.095 117 2HD LYS 14 1HD LYS 14 -14.337 9.902 1.469 118 1HE LYS 14 2HE LYS 14 -14.178 7.654 3.489 119 2HE LYS 14 1HE LYS 14 -15.628 8.377 2.792 120 1HZ LYS 14 1HZ LYS 14 -14.953 7.541 0.625 121 2HZ LYS 14 2HZ LYS 14 -15.114 6.271 1.741 122 3HZ LYS 14 3HZ LYS 14 -13.571 6.834 1.305 123 H ASP 15 H ASP 15 -9.365 7.557 -1.815 124 HA ASP 15 HA ASP 15 -10.506 8.773 -4.289 125 1HB ASP 15 2HB ASP 15 -8.216 9.485 -3.179 126 2HB ASP 15 1HB ASP 15 -7.602 8.068 -4.037 127 H GLY 16 H GLY 16 -9.096 5.704 -3.011 128 1HA GLY 16 2HA GLY 16 -9.672 3.634 -4.086 129 2HA GLY 16 1HA GLY 16 -9.886 4.516 -5.609 130 H LYS 17 H LYS 17 -7.387 5.646 -3.697 131 HA LYS 17 HA LYS 17 -5.318 3.865 -4.706 132 1HB LYS 17 2HB LYS 17 -5.173 6.775 -5.418 133 2HB LYS 17 1HB LYS 17 -4.024 5.497 -5.779 134 1HG LYS 17 2HG LYS 17 -5.120 5.532 -7.804 135 2HG LYS 17 1HG LYS 17 -6.168 4.406 -6.955 136 1HD LYS 17 2HD LYS 17 -7.676 5.976 -7.864 137 2HD LYS 17 1HD LYS 17 -7.472 6.525 -6.197 138 1HE LYS 17 2HE LYS 17 -7.067 8.530 -7.258 139 2HE LYS 17 1HE LYS 17 -5.432 7.869 -7.333 140 1HZ LYS 17 1HZ LYS 17 -7.259 8.416 -9.450 141 2HZ LYS 17 2HZ LYS 17 -6.729 6.803 -9.497 142 3HZ LYS 17 3HZ LYS 17 -5.600 8.073 -9.523 143 H LEU 18 H LEU 18 -3.473 4.020 -3.634 144 HA LEU 18 HA LEU 18 -3.370 5.806 -1.248 145 1HB LEU 18 2HB LEU 18 -2.941 2.983 -1.574 146 2HB LEU 18 1HB LEU 18 -1.669 3.791 -0.745 147 HG LEU 18 HG LEU 18 -3.341 4.869 0.703 148 1HD1 LEU 18 1HD1 LEU 18 -5.257 4.528 -0.851 149 2HD1 LEU 18 2HD1 LEU 18 -5.554 4.003 0.809 150 3HD1 LEU 18 3HD1 LEU 18 -5.181 2.817 -0.430 151 1HD2 LEU 18 1HD2 LEU 18 -3.690 2.794 1.986 152 2HD2 LEU 18 2HD2 LEU 18 -2.045 2.959 1.381 153 3HD2 LEU 18 3HD2 LEU 18 -3.180 1.882 0.579 154 H SER 19 H SER 19 -1.319 6.448 -0.598 155 HA SER 19 HA SER 19 0.635 6.653 -2.832 156 1HB SER 19 2HB SER 19 0.684 8.206 -0.278 157 2HB SER 19 1HB SER 19 1.412 8.639 -1.824 158 HG SER 19 HG SER 19 -1.017 9.239 -0.879 159 H LEU 20 H LEU 20 2.865 6.178 -2.269 160 HA LEU 20 HA LEU 20 3.260 3.944 -0.634 161 1HB LEU 20 2HB LEU 20 4.885 5.020 -2.294 162 2HB LEU 20 1HB LEU 20 5.256 6.191 -1.040 163 HG LEU 20 HG LEU 20 6.686 4.006 -1.354 164 1HD1 LEU 20 1HD1 LEU 20 5.900 5.507 1.062 165 2HD1 LEU 20 2HD1 LEU 20 7.477 5.333 0.304 166 3HD1 LEU 20 3HD1 LEU 20 6.830 4.031 1.300 167 1HD2 LEU 20 1HD2 LEU 20 6.006 2.128 -0.155 168 2HD2 LEU 20 2HD2 LEU 20 4.533 2.632 -0.936 169 3HD2 LEU 20 3HD2 LEU 20 4.792 3.023 0.747 170 H ASP 21 H ASP 21 2.832 7.182 -0.045 171 HA ASP 21 HA ASP 21 3.840 7.399 2.630 172 1HB ASP 21 2HB ASP 21 1.459 9.001 1.751 173 2HB ASP 21 1HB ASP 21 2.874 9.516 2.670 174 H GLU 22 H GLU 22 0.485 6.628 1.348 175 HA GLU 22 HA GLU 22 -0.478 6.270 4.028 176 1HB GLU 22 2HB GLU 22 -1.992 6.852 2.197 177 2HB GLU 22 1HB GLU 22 -1.627 5.305 1.431 178 1HG GLU 22 2HG GLU 22 -3.760 5.312 2.811 179 2HG GLU 22 1HG GLU 22 -2.582 4.085 3.265 180 H PHE 23 H PHE 23 0.771 4.141 1.525 181 HA PHE 23 HA PHE 23 0.212 1.689 2.892 182 1HB PHE 23 2HB PHE 23 0.541 1.807 0.471 183 2HB PHE 23 1HB PHE 23 2.187 2.309 0.755 184 HD1 PHE 23 1HD PHE 23 3.835 0.685 0.627 185 HD2 PHE 23 2HD PHE 23 -0.119 -0.409 1.864 186 HE1 PHE 23 1HE PHE 23 4.550 -1.684 0.800 187 HE2 PHE 23 2HE PHE 23 0.591 -2.775 2.046 188 HZ PHE 23 HZ PHE 23 2.925 -3.417 1.512 189 H ARG 24 H ARG 24 2.805 4.095 2.996 190 HA ARG 24 HA ARG 24 4.670 2.320 4.417 191 1HB ARG 24 2HB ARG 24 5.237 4.434 2.942 192 2HB ARG 24 1HB ARG 24 4.915 5.319 4.430 193 1HG ARG 24 2HG ARG 24 6.508 3.582 5.526 194 2HG ARG 24 1HG ARG 24 7.029 3.242 3.880 195 1HD ARG 24 2HD ARG 24 8.516 4.920 4.725 196 2HD ARG 24 1HD ARG 24 7.423 5.734 3.610 197 HE ARG 24 HE ARG 24 6.188 6.003 6.082 198 1HH1 ARG 24 1HH2 ARG 24 9.287 6.670 4.727 199 2HH1 ARG 24 2HH2 ARG 24 9.601 8.021 5.764 200 1HH2 ARG 24 1HH1 ARG 24 6.580 7.764 7.448 201 2HH2 ARG 24 2HH1 ARG 24 8.068 8.639 7.307 202 H GLU 25 H GLU 25 2.154 4.574 5.077 203 HA GLU 25 HA GLU 25 2.715 4.771 7.971 204 1HB GLU 25 2HB GLU 25 0.486 5.659 6.145 205 2HB GLU 25 1HB GLU 25 0.139 5.499 7.866 206 1HG GLU 25 2HG GLU 25 0.869 7.799 7.282 207 2HG GLU 25 1HG GLU 25 1.984 7.022 8.405 208 H VAL 26 H VAL 26 0.807 3.042 5.684 209 HA VAL 26 HA VAL 26 -0.765 1.315 7.319 210 HB VAL 26 HB VAL 26 0.216 1.597 4.573 211 1HG1 VAL 26 1HG1 VAL 26 -0.420 -1.119 5.634 212 2HG1 VAL 26 2HG1 VAL 26 0.938 -0.616 4.626 213 3HG1 VAL 26 3HG1 VAL 26 -0.684 -0.707 3.944 214 1HG2 VAL 26 1HG2 VAL 26 -2.390 0.843 5.773 215 2HG2 VAL 26 2HG2 VAL 26 -2.111 0.906 4.031 216 3HG2 VAL 26 3HG2 VAL 26 -1.950 2.366 5.008 217 H ALA 27 H ALA 27 2.362 1.011 5.759 218 HA ALA 27 HA ALA 27 2.854 -1.650 6.716 219 1HB ALA 27 1HB ALA 27 4.829 0.311 5.528 220 2HB ALA 27 2HB ALA 27 3.729 -0.671 4.562 221 3HB ALA 27 3HB ALA 27 4.966 -1.447 5.550 222 H LEU 28 H LEU 28 4.195 1.529 7.465 223 HA LEU 28 HA LEU 28 5.977 0.659 9.541 224 1HB LEU 28 2HB LEU 28 4.705 3.299 8.862 225 2HB LEU 28 1HB LEU 28 5.600 3.121 10.366 226 HG LEU 28 HG LEU 28 7.639 2.836 9.299 227 1HD1 LEU 28 1HD1 LEU 28 7.768 2.221 6.811 228 2HD1 LEU 28 2HD1 LEU 28 6.059 1.813 6.931 229 3HD1 LEU 28 3HD1 LEU 28 7.245 0.947 7.904 230 1HD2 LEU 28 1HD2 LEU 28 6.964 5.073 8.777 231 2HD2 LEU 28 2HD2 LEU 28 5.929 4.527 7.459 232 3HD2 LEU 28 3HD2 LEU 28 7.683 4.417 7.307 233 H ALA 29 H ALA 29 2.536 1.448 9.510 234 HA ALA 29 HA ALA 29 2.285 1.507 12.397 235 1HB ALA 29 1HB ALA 29 0.728 2.733 10.980 236 2HB ALA 29 2HB ALA 29 -0.153 1.492 11.871 237 3HB ALA 29 3HB ALA 29 0.247 1.243 10.171 238 H PHE 30 H PHE 30 0.998 -0.802 9.963 239 HA PHE 30 HA PHE 30 0.560 -2.782 12.090 240 1HB PHE 30 2HB PHE 30 -0.762 -2.217 9.765 241 2HB PHE 30 1HB PHE 30 0.195 -3.616 9.272 242 HD1 PHE 30 1HD PHE 30 -0.608 -5.765 9.751 243 HD2 PHE 30 2HD PHE 30 -1.986 -2.432 12.086 244 HE1 PHE 30 1HE PHE 30 -2.193 -7.253 10.944 245 HE2 PHE 30 2HE PHE 30 -3.571 -3.921 13.279 246 HZ PHE 30 HZ PHE 30 -3.674 -6.331 12.708 247 H SER 31 H SER 31 2.539 -2.620 9.109 248 HA SER 31 HA SER 31 4.085 -4.974 10.130 249 1HB SER 31 2HB SER 31 3.043 -5.163 7.859 250 2HB SER 31 1HB SER 31 4.032 -3.802 7.336 251 HG SER 31 HG SER 31 5.769 -5.299 8.382 252 HA PRO 32 HA PRO 32 6.725 -1.132 10.654 253 1HB PRO 32 2HB PRO 32 7.863 -2.010 13.026 254 2HB PRO 32 1HB PRO 32 6.418 -0.985 12.921 255 1HG PRO 32 2HG PRO 32 6.627 -3.922 13.358 256 2HG PRO 32 1HG PRO 32 5.508 -2.747 14.075 257 1HD PRO 32 2HD PRO 32 4.754 -4.415 12.074 258 2HD PRO 32 1HD PRO 32 4.086 -2.776 12.237 259 H TYR 33 H TYR 33 7.365 -4.588 10.619 260 HA TYR 33 HA TYR 33 10.239 -4.341 10.579 261 1HB TYR 33 2HB TYR 33 8.755 -6.640 9.330 262 2HB TYR 33 1HB TYR 33 10.256 -6.656 10.264 263 HD1 TYR 33 1HD TYR 33 9.728 -5.250 12.683 264 HD2 TYR 33 2HD TYR 33 7.077 -7.803 10.465 265 HE1 TYR 33 1HE TYR 33 8.440 -5.708 14.750 266 HE2 TYR 33 2HE TYR 33 5.790 -8.260 12.534 267 HH TYR 33 HH TYR 33 5.697 -7.980 14.740 268 H PHE 34 H PHE 34 7.761 -3.876 8.171 269 HA PHE 34 HA PHE 34 9.401 -4.509 5.881 270 1HB PHE 34 2HB PHE 34 6.784 -3.183 6.285 271 2HB PHE 34 1HB PHE 34 7.732 -2.456 5.021 272 HD1 PHE 34 1HD PHE 34 9.125 -4.459 3.642 273 HD2 PHE 34 2HD PHE 34 5.232 -4.702 5.437 274 HE1 PHE 34 1HE PHE 34 8.544 -6.328 2.122 275 HE2 PHE 34 2HE PHE 34 4.645 -6.571 3.913 276 HZ PHE 34 HZ PHE 34 6.302 -7.382 2.253 277 H THR 35 H THR 35 11.103 -3.525 5.183 278 HA THR 35 HA THR 35 11.892 -1.005 6.399 279 HB THR 35 HB THR 35 13.599 -1.580 4.214 280 HG1 THR 35 1HG THR 35 12.436 -3.811 5.419 281 1HG2 THR 35 1HG2 THR 35 14.204 -0.675 6.392 282 2HG2 THR 35 2HG2 THR 35 15.131 -2.141 6.065 283 3HG2 THR 35 3HG2 THR 35 13.751 -2.195 7.164 284 H GLN 36 H GLN 36 11.962 0.947 5.449 285 HA GLN 36 HA GLN 36 9.997 1.694 3.622 286 1HB GLN 36 2HB GLN 36 11.438 3.151 5.127 287 2HB GLN 36 1HB GLN 36 12.679 3.046 3.879 288 1HG GLN 36 2HG GLN 36 9.977 3.754 2.872 289 2HG GLN 36 1HG GLN 36 10.720 4.951 3.899 290 1HE2 GLN 36 1HE2 GLN 36 10.231 5.111 0.974 291 2HE2 GLN 36 2HE2 GLN 36 11.763 5.372 0.272 292 H GLU 37 H GLU 37 13.215 0.486 3.038 293 HA GLU 37 HA GLU 37 13.262 1.276 0.237 294 1HB GLU 37 2HB GLU 37 14.884 -0.890 1.632 295 2HB GLU 37 1HB GLU 37 15.247 -0.165 0.066 296 1HG GLU 37 2HG GLU 37 14.996 1.495 2.578 297 2HG GLU 37 1HG GLU 37 16.527 0.779 2.076 298 H ASP 38 H ASP 38 12.352 -1.687 1.995 299 HA ASP 38 HA ASP 38 11.877 -3.215 -0.432 300 1HB ASP 38 2HB ASP 38 10.870 -3.621 2.402 301 2HB ASP 38 1HB ASP 38 10.726 -4.804 1.097 302 H ILE 39 H ILE 39 9.963 -1.171 1.692 303 HA ILE 39 HA ILE 39 7.392 -1.786 0.524 304 HB ILE 39 HB ILE 39 8.276 0.724 1.978 305 1HG1 ILE 39 2HG1 ILE 39 6.876 -1.615 3.239 306 2HG1 ILE 39 1HG1 ILE 39 8.630 -1.633 3.065 307 1HG2 ILE 39 1HG2 ILE 39 6.095 1.329 2.015 308 2HG2 ILE 39 2HG2 ILE 39 5.563 -0.309 2.393 309 3HG2 ILE 39 3HG2 ILE 39 5.877 0.152 0.722 310 1HD1 ILE 39 1HD1 ILE 39 7.836 0.945 4.096 311 2HD1 ILE 39 2HD1 ILE 39 8.826 -0.283 4.879 312 3HD1 ILE 39 3HD1 ILE 39 7.075 -0.309 5.070 313 H VAL 40 H VAL 40 9.739 0.816 0.064 314 HA VAL 40 HA VAL 40 8.186 2.108 -2.019 315 HB VAL 40 HB VAL 40 10.203 3.470 -2.317 316 1HG1 VAL 40 1HG1 VAL 40 8.474 3.293 -0.163 317 2HG1 VAL 40 2HG1 VAL 40 9.533 4.654 -0.516 318 3HG1 VAL 40 3HG1 VAL 40 10.057 3.386 0.588 319 1HG2 VAL 40 1HG2 VAL 40 11.912 2.886 -0.344 320 2HG2 VAL 40 2HG2 VAL 40 12.097 2.270 -1.986 321 3HG2 VAL 40 3HG2 VAL 40 11.354 1.261 -0.750 322 H LYS 41 H LYS 41 10.904 -0.195 -1.986 323 HA LYS 41 HA LYS 41 11.389 -0.071 -4.799 324 1HB LYS 41 2HB LYS 41 12.765 -1.385 -3.109 325 2HB LYS 41 1HB LYS 41 11.460 -2.571 -3.065 326 1HG LYS 41 2HG LYS 41 12.454 -1.827 -5.775 327 2HG LYS 41 1HG LYS 41 13.573 -2.741 -4.769 328 1HD LYS 41 2HD LYS 41 11.807 -4.450 -4.388 329 2HD LYS 41 1HD LYS 41 10.734 -3.552 -5.462 330 1HE LYS 41 2HE LYS 41 12.604 -3.746 -7.218 331 2HE LYS 41 1HE LYS 41 13.309 -4.966 -6.157 332 1HZ LYS 41 1HZ LYS 41 10.494 -5.325 -6.606 333 2HZ LYS 41 2HZ LYS 41 11.763 -6.448 -6.719 334 3HZ LYS 41 3HZ LYS 41 11.410 -5.425 -8.030 335 H PHE 42 H PHE 42 9.365 -2.289 -2.888 336 HA PHE 42 HA PHE 42 7.976 -3.417 -5.094 337 1HB PHE 42 2HB PHE 42 8.177 -4.272 -2.700 338 2HB PHE 42 1HB PHE 42 6.873 -3.153 -2.283 339 HD1 PHE 42 1HD PHE 42 7.683 -6.394 -3.552 340 HD2 PHE 42 2HD PHE 42 4.726 -3.288 -3.800 341 HE1 PHE 42 1HE PHE 42 6.043 -8.026 -4.442 342 HE2 PHE 42 2HE PHE 42 3.091 -4.920 -4.692 343 HZ PHE 42 HZ PHE 42 3.746 -7.288 -5.013 344 H PHE 43 H PHE 43 7.003 -0.700 -2.912 345 HA PHE 43 HA PHE 43 4.438 -0.267 -4.135 346 1HB PHE 43 2HB PHE 43 4.967 0.793 -2.046 347 2HB PHE 43 1HB PHE 43 6.384 1.572 -2.737 348 HD1 PHE 43 1HD PHE 43 5.955 3.236 -4.737 349 HD2 PHE 43 2HD PHE 43 2.931 1.927 -1.993 350 HE1 PHE 43 1HE PHE 43 4.592 5.216 -5.268 351 HE2 PHE 43 2HE PHE 43 1.597 3.933 -2.525 352 HZ PHE 43 HZ PHE 43 2.419 5.565 -4.179 353 H GLU 44 H GLU 44 7.589 1.188 -4.642 354 HA GLU 44 HA GLU 44 6.945 2.826 -6.900 355 1HB GLU 44 2HB GLU 44 9.533 1.347 -6.294 356 2HB GLU 44 1HB GLU 44 9.361 2.578 -7.539 357 1HG GLU 44 2HG GLU 44 8.469 3.261 -4.761 358 2HG GLU 44 1HG GLU 44 10.202 3.225 -5.098 359 H GLU 45 H GLU 45 7.655 -0.586 -6.547 360 HA GLU 45 HA GLU 45 7.657 -1.221 -9.378 361 1HB GLU 45 2HB GLU 45 8.598 -2.501 -7.215 362 2HB GLU 45 1HB GLU 45 7.007 -3.266 -7.299 363 1HG GLU 45 2HG GLU 45 9.025 -3.097 -9.551 364 2HG GLU 45 1HG GLU 45 8.692 -4.537 -8.590 365 H ILE 46 H ILE 46 5.271 -1.248 -6.761 366 HA ILE 46 HA ILE 46 3.296 -2.543 -8.517 367 HB ILE 46 HB ILE 46 3.694 -2.666 -5.814 368 1HG1 ILE 46 2HG1 ILE 46 1.376 -3.692 -5.777 369 2HG1 ILE 46 1HG1 ILE 46 1.175 -3.115 -7.433 370 1HG2 ILE 46 1HG2 ILE 46 1.994 -1.504 -4.653 371 2HG2 ILE 46 2HG2 ILE 46 1.234 -0.980 -6.154 372 3HG2 ILE 46 3HG2 ILE 46 2.788 -0.304 -5.669 373 1HD1 ILE 46 1HD1 ILE 46 3.678 -4.621 -6.955 374 2HD1 ILE 46 2HD1 ILE 46 2.533 -4.727 -8.293 375 3HD1 ILE 46 3HD1 ILE 46 2.201 -5.566 -6.780 376 H ASP 47 H ASP 47 3.942 0.687 -7.178 377 HA ASP 47 HA ASP 47 1.444 1.823 -8.131 378 1HB ASP 47 2HB ASP 47 2.693 3.106 -6.496 379 2HB ASP 47 1HB ASP 47 4.155 3.041 -7.483 380 H VAL 48 H VAL 48 1.477 0.620 -10.245 381 HA VAL 48 HA VAL 48 3.569 1.053 -12.163 382 HB VAL 48 HB VAL 48 2.126 -0.918 -12.109 383 1HG1 VAL 48 1HG1 VAL 48 -0.179 -0.846 -12.187 384 2HG1 VAL 48 2HG1 VAL 48 -0.200 0.626 -13.156 385 3HG1 VAL 48 3HG1 VAL 48 0.111 0.718 -11.425 386 1HG2 VAL 48 1HG2 VAL 48 1.375 0.643 -14.581 387 2HG2 VAL 48 2HG2 VAL 48 1.747 -1.075 -14.448 388 3HG2 VAL 48 3HG2 VAL 48 3.037 0.119 -14.308 389 H ASP 49 H ASP 49 0.591 2.725 -11.475 390 HA ASP 49 HA ASP 49 0.392 3.862 -14.134 391 1HB ASP 49 2HB ASP 49 -1.702 4.010 -13.328 392 2HB ASP 49 1HB ASP 49 -1.142 3.846 -11.666 393 H GLY 50 H GLY 50 2.265 4.526 -11.371 394 1HA GLY 50 2HA GLY 50 3.937 6.046 -11.130 395 2HA GLY 50 1HA GLY 50 3.590 6.674 -12.737 396 H ASN 51 H ASN 51 0.827 6.659 -10.708 397 HA ASN 51 HA ASN 51 0.910 9.587 -10.587 398 1HB ASN 51 2HB ASN 51 -1.296 9.396 -9.521 399 2HB ASN 51 1HB ASN 51 -1.241 8.385 -10.967 400 1HD2 ASN 51 1HD2 ASN 51 0.697 6.722 -8.926 401 2HD2 ASN 51 2HD2 ASN 51 -0.442 5.727 -8.158 402 H GLY 52 H GLY 52 2.352 7.183 -8.918 403 1HA GLY 52 2HA GLY 52 3.624 7.315 -6.937 404 2HA GLY 52 1HA GLY 52 2.940 8.916 -6.656 405 H GLU 53 H GLU 53 0.808 6.240 -7.319 406 HA GLU 53 HA GLU 53 0.258 5.849 -4.438 407 1HB GLU 53 2HB GLU 53 -2.125 6.375 -6.141 408 2HB GLU 53 1HB GLU 53 -1.880 6.752 -4.443 409 1HG GLU 53 2HG GLU 53 -0.345 8.589 -5.074 410 2HG GLU 53 1HG GLU 53 -0.631 8.231 -6.776 411 H LEU 54 H LEU 54 -1.085 4.028 -3.957 412 HA LEU 54 HA LEU 54 -0.700 1.832 -5.835 413 1HB LEU 54 2HB LEU 54 -2.139 2.079 -3.194 414 2HB LEU 54 1HB LEU 54 -1.949 0.608 -4.043 415 HG LEU 54 HG LEU 54 -0.126 0.353 -2.769 416 1HD1 LEU 54 1HD1 LEU 54 1.919 1.007 -3.783 417 2HD1 LEU 54 2HD1 LEU 54 1.185 2.434 -4.512 418 3HD1 LEU 54 3HD1 LEU 54 0.781 0.833 -5.107 419 1HD2 LEU 54 1HD2 LEU 54 -0.170 3.331 -2.564 420 2HD2 LEU 54 2HD2 LEU 54 0.974 2.293 -1.709 421 3HD2 LEU 54 3HD2 LEU 54 -0.741 2.159 -1.384 422 H ASN 55 H ASN 55 -2.065 1.478 -7.426 423 HA ASN 55 HA ASN 55 -4.762 2.639 -7.409 424 1HB ASN 55 2HB ASN 55 -4.695 0.848 -9.541 425 2HB ASN 55 1HB ASN 55 -4.376 2.574 -9.631 426 1HD2 ASN 55 1HD2 ASN 55 -3.112 -0.051 -10.871 427 2HD2 ASN 55 2HD2 ASN 55 -1.451 0.242 -10.714 428 H ALA 56 H ALA 56 -6.526 0.973 -8.292 429 HA ALA 56 HA ALA 56 -7.115 -0.755 -6.098 430 1HB ALA 56 1HB ALA 56 -8.861 0.268 -7.400 431 2HB ALA 56 2HB ALA 56 -9.023 -1.486 -7.505 432 3HB ALA 56 3HB ALA 56 -8.328 -0.582 -8.851 433 H ASP 57 H ASP 57 -6.420 -1.833 -9.509 434 HA ASP 57 HA ASP 57 -6.221 -4.567 -8.771 435 1HB ASP 57 2HB ASP 57 -6.373 -3.742 -11.117 436 2HB ASP 57 1HB ASP 57 -4.716 -3.153 -10.992 437 H GLU 58 H GLU 58 -3.729 -2.050 -8.917 438 HA GLU 58 HA GLU 58 -1.555 -3.804 -8.211 439 1HB GLU 58 2HB GLU 58 -1.915 -0.798 -8.092 440 2HB GLU 58 1HB GLU 58 -0.433 -1.584 -7.565 441 1HG GLU 58 2HG GLU 58 -1.666 -1.839 -10.321 442 2HG GLU 58 1HG GLU 58 -0.282 -0.834 -9.909 443 H PHE 59 H PHE 59 -3.978 -2.014 -6.468 444 HA PHE 59 HA PHE 59 -2.896 -1.982 -3.856 445 1HB PHE 59 2HB PHE 59 -5.587 -1.989 -5.083 446 2HB PHE 59 1HB PHE 59 -5.541 -2.608 -3.457 447 HD1 PHE 59 1HD PHE 59 -6.304 0.173 -5.125 448 HD2 PHE 59 2HD PHE 59 -3.670 -1.076 -2.003 449 HE1 PHE 59 1HE PHE 59 -6.243 2.449 -4.302 450 HE2 PHE 59 2HE PHE 59 -3.618 1.236 -1.163 451 HZ PHE 59 HZ PHE 59 -4.906 3.003 -2.338 452 H THR 60 H THR 60 -4.738 -4.525 -5.591 453 HA THR 60 HA THR 60 -4.772 -6.366 -3.389 454 HB THR 60 HB THR 60 -5.461 -8.008 -5.059 455 HG1 THR 60 1HG THR 60 -5.553 -6.831 -7.282 456 1HG2 THR 60 1HG2 THR 60 -7.086 -6.338 -4.292 457 2HG2 THR 60 2HG2 THR 60 -7.374 -6.743 -5.984 458 3HG2 THR 60 3HG2 THR 60 -6.564 -5.234 -5.565 459 H SER 61 H SER 61 -2.618 -5.918 -6.162 460 HA SER 61 HA SER 61 -0.885 -8.120 -5.325 461 1HB SER 61 2HB SER 61 -1.087 -7.223 -7.704 462 2HB SER 61 1HB SER 61 -0.181 -5.814 -7.161 463 HG SER 61 HG SER 61 0.884 -7.918 -8.056 464 H CYS 62 H CYS 62 -1.395 -4.857 -4.383 465 HA CYS 62 HA CYS 62 1.329 -4.338 -3.430 466 1HB CYS 62 2HB CYS 62 -0.313 -2.503 -3.974 467 2HB CYS 62 1HB CYS 62 -1.266 -3.018 -2.582 468 HG CYS 62 HG CYS 62 0.363 -1.159 -1.743 469 H ILE 63 H ILE 63 -1.725 -5.544 -2.192 470 HA ILE 63 HA ILE 63 -0.564 -5.945 0.475 471 HB ILE 63 HB ILE 63 -3.251 -6.036 -0.733 472 1HG1 ILE 63 2HG1 ILE 63 -3.849 -5.094 1.429 473 2HG1 ILE 63 1HG1 ILE 63 -2.298 -5.575 2.106 474 1HG2 ILE 63 1HG2 ILE 63 -2.425 -8.041 1.376 475 2HG2 ILE 63 2HG2 ILE 63 -3.233 -8.364 -0.156 476 3HG2 ILE 63 3HG2 ILE 63 -4.096 -7.536 1.140 477 1HD1 ILE 63 1HD1 ILE 63 -2.768 -3.106 1.103 478 2HD1 ILE 63 2HD1 ILE 63 -2.175 -3.912 -0.349 479 3HD1 ILE 63 3HD1 ILE 63 -1.175 -3.859 1.102 480 H GLU 64 H GLU 64 -1.324 -7.883 -2.480 481 HA GLU 64 HA GLU 64 -0.934 -10.413 -1.348 482 1HB GLU 64 2HB GLU 64 -1.545 -9.696 -3.799 483 2HB GLU 64 1HB GLU 64 0.203 -9.679 -4.043 484 1HG GLU 64 2HG GLU 64 -0.517 -11.877 -4.643 485 2HG GLU 64 1HG GLU 64 0.226 -12.032 -3.050 486 H LYS 65 H LYS 65 1.212 -7.722 -1.736 487 HA LYS 65 HA LYS 65 3.758 -8.855 -1.974 488 1HB LYS 65 2HB LYS 65 3.017 -6.425 -1.542 489 2HB LYS 65 1HB LYS 65 3.047 -6.849 0.168 490 1HG LYS 65 2HG LYS 65 5.395 -7.490 -0.006 491 2HG LYS 65 1HG LYS 65 5.365 -7.151 -1.735 492 1HD LYS 65 2HD LYS 65 5.137 -4.832 -1.412 493 2HD LYS 65 1HD LYS 65 4.538 -5.031 0.229 494 1HE LYS 65 2HE LYS 65 7.060 -6.164 0.386 495 2HE LYS 65 1HE LYS 65 7.316 -4.830 -0.734 496 1HZ LYS 65 1HZ LYS 65 7.606 -3.895 1.357 497 2HZ LYS 65 2HZ LYS 65 6.297 -4.737 2.036 498 3HZ LYS 65 3HZ LYS 65 6.017 -3.462 0.952 499 H MET 66 H MET 66 1.607 -10.242 -0.193 500 HA MET 66 HA MET 66 1.830 -12.027 1.356 501 1HB MET 66 2HB MET 66 4.495 -10.903 2.226 502 2HB MET 66 1HB MET 66 3.892 -12.549 2.386 503 1HG MET 66 2HG MET 66 3.790 -11.965 -0.387 504 2HG MET 66 1HG MET 66 5.351 -11.376 0.178 505 1HE MET 66 1HE MET 66 2.939 -14.346 1.153 506 2HE MET 66 2HE MET 66 3.700 -15.644 0.238 507 3HE MET 66 3HE MET 66 3.058 -14.238 -0.608 508 H LEU 67 H LEU 67 0.613 -9.431 1.844 509 HA LEU 67 HA LEU 67 1.131 -8.091 4.178 510 1HB LEU 67 2HB LEU 67 -0.858 -7.588 2.914 511 2HB LEU 67 1HB LEU 67 -1.527 -9.187 3.209 512 HG LEU 67 HG LEU 67 -2.484 -7.270 4.616 513 1HD1 LEU 67 1HD1 LEU 67 -1.427 -9.135 6.636 514 2HD1 LEU 67 2HD1 LEU 67 -2.122 -9.936 5.227 515 3HD1 LEU 67 3HD1 LEU 67 -3.091 -8.802 6.162 516 1HD2 LEU 67 1HD2 LEU 67 -1.195 -6.378 6.402 517 2HD2 LEU 67 2HD2 LEU 67 -0.127 -6.317 5.000 518 3HD2 LEU 67 3HD2 LEU 67 0.071 -7.589 6.204 Start of MODEL 17 1 HA SER 1 HA SER 1 -5.253 -11.393 0.071 2 1HB SER 1 2HB SER 1 -7.798 -10.951 -1.504 3 2HB SER 1 1HB SER 1 -6.372 -9.935 -1.690 4 HG SER 1 HG SER 1 -5.241 -12.024 -2.024 5 H SER 2 H SER 2 -8.626 -10.281 0.581 6 HA SER 2 HA SER 2 -9.419 -8.403 1.754 7 1HB SER 2 2HB SER 2 -7.421 -8.239 3.807 8 2HB SER 2 1HB SER 2 -9.050 -8.904 3.924 9 HG SER 2 HG SER 2 -7.271 -10.394 4.365 10 H ALA 3 H ALA 3 -7.225 -8.035 -0.316 11 HA ALA 3 HA ALA 3 -5.554 -5.892 0.680 12 1HB ALA 3 1HB ALA 3 -5.165 -7.425 -1.380 13 2HB ALA 3 2HB ALA 3 -4.712 -5.725 -1.503 14 3HB ALA 3 3HB ALA 3 -6.213 -6.291 -2.229 15 H LYS 4 H LYS 4 -8.689 -6.083 -0.885 16 HA LYS 4 HA LYS 4 -8.827 -3.179 -1.278 17 1HB LYS 4 2HB LYS 4 -10.137 -4.306 -2.862 18 2HB LYS 4 1HB LYS 4 -10.717 -5.486 -1.693 19 1HG LYS 4 2HG LYS 4 -12.335 -4.051 -0.841 20 2HG LYS 4 1HG LYS 4 -11.425 -2.602 -1.262 21 1HD LYS 4 2HD LYS 4 -12.569 -4.412 -3.393 22 2HD LYS 4 1HD LYS 4 -13.537 -3.136 -2.660 23 1HE LYS 4 2HE LYS 4 -11.458 -1.617 -3.242 24 2HE LYS 4 1HE LYS 4 -11.103 -2.896 -4.406 25 1HZ LYS 4 1HZ LYS 4 -13.649 -1.383 -4.194 26 2HZ LYS 4 2HZ LYS 4 -13.346 -2.646 -5.290 27 3HZ LYS 4 3HZ LYS 4 -12.472 -1.193 -5.401 28 H ARG 5 H ARG 5 -9.710 -5.592 1.079 29 HA ARG 5 HA ARG 5 -11.450 -3.961 2.711 30 1HB ARG 5 2HB ARG 5 -11.211 -6.488 2.801 31 2HB ARG 5 1HB ARG 5 -9.646 -6.234 3.582 32 1HG ARG 5 2HG ARG 5 -11.034 -6.459 5.433 33 2HG ARG 5 1HG ARG 5 -11.045 -4.709 5.225 34 1HD ARG 5 2HD ARG 5 -13.093 -5.357 3.588 35 2HD ARG 5 1HD ARG 5 -13.205 -6.692 4.727 36 HE ARG 5 HE ARG 5 -14.212 -4.147 5.246 37 1HH1 ARG 5 1HH2 ARG 5 -11.849 -6.238 6.663 38 2HH1 ARG 5 2HH2 ARG 5 -11.964 -5.509 8.227 39 1HH2 ARG 5 1HH1 ARG 5 -14.375 -3.214 7.281 40 2HH2 ARG 5 2HH1 ARG 5 -13.394 -3.807 8.579 41 H VAL 6 H VAL 6 -8.043 -4.936 3.054 42 HA VAL 6 HA VAL 6 -7.452 -3.287 5.289 43 HB VAL 6 HB VAL 6 -6.082 -5.157 3.775 44 1HG1 VAL 6 1HG1 VAL 6 -5.354 -3.734 2.045 45 2HG1 VAL 6 2HG1 VAL 6 -3.964 -3.904 3.115 46 3HG1 VAL 6 3HG1 VAL 6 -4.935 -2.437 3.158 47 1HG2 VAL 6 1HG2 VAL 6 -5.260 -3.254 5.955 48 2HG2 VAL 6 2HG2 VAL 6 -4.068 -4.353 5.264 49 3HG2 VAL 6 3HG2 VAL 6 -5.517 -4.996 6.035 50 H PHE 7 H PHE 7 -7.179 -2.755 1.836 51 HA PHE 7 HA PHE 7 -6.134 -0.090 1.960 52 1HB PHE 7 2HB PHE 7 -6.017 -1.159 -0.161 53 2HB PHE 7 1HB PHE 7 -7.736 -1.544 -0.146 54 HD1 PHE 7 1HD PHE 7 -6.839 1.806 1.040 55 HD2 PHE 7 2HD PHE 7 -7.791 -0.513 -2.449 56 HE1 PHE 7 1HE PHE 7 -7.378 3.863 -0.186 57 HE2 PHE 7 2HE PHE 7 -8.280 1.576 -3.665 58 HZ PHE 7 HZ PHE 7 -8.115 3.758 -2.516 59 H GLU 8 H GLU 8 -9.522 -1.279 1.815 60 HA GLU 8 HA GLU 8 -10.829 1.202 1.711 61 1HB GLU 8 2HB GLU 8 -11.507 -1.351 3.181 62 2HB GLU 8 1HB GLU 8 -12.576 0.050 3.231 63 1HG GLU 8 2HG GLU 8 -11.629 -0.720 0.523 64 2HG GLU 8 1HG GLU 8 -12.704 -1.884 1.304 65 H LYS 9 H LYS 9 -9.388 -0.451 4.494 66 HA LYS 9 HA LYS 9 -10.179 1.568 6.391 67 1HB LYS 9 2HB LYS 9 -9.529 -0.791 6.961 68 2HB LYS 9 1HB LYS 9 -7.854 -0.358 6.621 69 1HG LYS 9 2HG LYS 9 -9.525 1.259 8.551 70 2HG LYS 9 1HG LYS 9 -8.676 -0.198 9.076 71 1HD LYS 9 2HD LYS 9 -6.825 1.345 7.542 72 2HD LYS 9 1HD LYS 9 -7.598 2.443 8.679 73 1HE LYS 9 2HE LYS 9 -7.102 0.799 10.503 74 2HE LYS 9 1HE LYS 9 -6.233 -0.178 9.316 75 1HZ LYS 9 1HZ LYS 9 -4.621 1.148 10.369 76 2HZ LYS 9 2HZ LYS 9 -5.577 2.550 10.272 77 3HZ LYS 9 3HZ LYS 9 -4.887 1.890 8.866 78 H PHE 10 H PHE 10 -7.270 1.163 4.350 79 HA PHE 10 HA PHE 10 -5.963 3.479 5.627 80 1HB PHE 10 2HB PHE 10 -5.126 2.034 3.121 81 2HB PHE 10 1HB PHE 10 -4.128 3.050 4.163 82 HD1 PHE 10 1HD PHE 10 -4.806 2.199 6.860 83 HD2 PHE 10 2HD PHE 10 -4.287 -0.185 3.320 84 HE1 PHE 10 1HE PHE 10 -4.221 0.246 8.260 85 HE2 PHE 10 2HE PHE 10 -3.686 -2.132 4.740 86 HZ PHE 10 HZ PHE 10 -3.667 -1.921 7.202 87 H ASP 11 H ASP 11 -8.156 2.924 3.024 88 HA ASP 11 HA ASP 11 -7.493 4.988 1.264 89 1HB ASP 11 2HB ASP 11 -9.829 5.080 0.645 90 2HB ASP 11 1HB ASP 11 -9.472 3.400 1.058 91 H LYS 12 H LYS 12 -6.429 6.401 2.697 92 HA LYS 12 HA LYS 12 -7.982 8.026 4.580 93 1HB LYS 12 2HB LYS 12 -5.895 8.169 5.428 94 2HB LYS 12 1HB LYS 12 -5.242 7.404 3.981 95 1HG LYS 12 2HG LYS 12 -5.114 9.561 2.853 96 2HG LYS 12 1HG LYS 12 -5.846 10.355 4.250 97 1HD LYS 12 2HD LYS 12 -3.936 10.210 5.509 98 2HD LYS 12 1HD LYS 12 -3.504 8.639 4.823 99 1HE LYS 12 2HE LYS 12 -2.436 9.594 2.979 100 2HE LYS 12 1HE LYS 12 -3.365 11.089 3.083 101 1HZ LYS 12 1HZ LYS 12 -2.063 11.021 5.447 102 2HZ LYS 12 2HZ LYS 12 -1.561 11.897 4.081 103 3HZ LYS 12 3HZ LYS 12 -0.911 10.358 4.392 104 H ASN 13 H ASN 13 -7.474 7.889 1.298 105 HA ASN 13 HA ASN 13 -8.216 10.766 0.922 106 1HB ASN 13 2HB ASN 13 -7.226 10.511 -1.381 107 2HB ASN 13 1HB ASN 13 -6.036 10.375 -0.082 108 1HD2 ASN 13 1HD2 ASN 13 -4.662 9.038 -1.522 109 2HD2 ASN 13 2HD2 ASN 13 -5.056 7.413 -1.812 110 H LYS 14 H LYS 14 -9.628 8.020 1.249 111 HA LYS 14 HA LYS 14 -11.291 6.714 0.018 112 1HB LYS 14 2HB LYS 14 -12.547 9.460 -0.106 113 2HB LYS 14 1HB LYS 14 -13.332 7.908 0.167 114 1HG LYS 14 2HG LYS 14 -13.257 8.566 2.362 115 2HG LYS 14 1HG LYS 14 -11.622 7.916 2.270 116 1HD LYS 14 2HD LYS 14 -11.223 10.038 3.157 117 2HD LYS 14 1HD LYS 14 -11.010 10.340 1.433 118 1HE LYS 14 2HE LYS 14 -12.438 12.085 2.213 119 2HE LYS 14 1HE LYS 14 -13.501 10.949 1.383 120 1HZ LYS 14 1HZ LYS 14 -14.539 11.435 3.412 121 2HZ LYS 14 2HZ LYS 14 -13.098 11.279 4.297 122 3HZ LYS 14 3HZ LYS 14 -13.845 9.904 3.636 123 H ASP 15 H ASP 15 -9.369 7.222 -1.683 124 HA ASP 15 HA ASP 15 -10.589 8.446 -4.111 125 1HB ASP 15 2HB ASP 15 -8.314 9.220 -3.173 126 2HB ASP 15 1HB ASP 15 -7.681 7.701 -3.817 127 H GLY 16 H GLY 16 -9.171 5.357 -2.905 128 1HA GLY 16 2HA GLY 16 -9.797 3.285 -3.970 129 2HA GLY 16 1HA GLY 16 -10.076 4.179 -5.475 130 H LYS 17 H LYS 17 -7.529 5.319 -3.668 131 HA LYS 17 HA LYS 17 -5.466 3.585 -4.741 132 1HB LYS 17 2HB LYS 17 -5.467 6.500 -5.478 133 2HB LYS 17 1HB LYS 17 -4.233 5.296 -5.823 134 1HG LYS 17 2HG LYS 17 -5.324 5.172 -7.839 135 2HG LYS 17 1HG LYS 17 -6.353 4.060 -6.949 136 1HD LYS 17 2HD LYS 17 -7.900 5.546 -7.916 137 2HD LYS 17 1HD LYS 17 -7.696 6.197 -6.285 138 1HE LYS 17 2HE LYS 17 -7.347 8.140 -7.479 139 2HE LYS 17 1HE LYS 17 -5.695 7.520 -7.501 140 1HZ LYS 17 1HZ LYS 17 -5.896 6.813 -9.663 141 2HZ LYS 17 2HZ LYS 17 -6.839 8.226 -9.699 142 3HZ LYS 17 3HZ LYS 17 -7.588 6.704 -9.601 143 H LEU 18 H LEU 18 -3.569 3.850 -3.730 144 HA LEU 18 HA LEU 18 -3.551 5.606 -1.330 145 1HB LEU 18 2HB LEU 18 -2.976 2.813 -1.666 146 2HB LEU 18 1HB LEU 18 -1.730 3.688 -0.862 147 HG LEU 18 HG LEU 18 -3.387 4.646 0.641 148 1HD1 LEU 18 1HD1 LEU 18 -5.228 2.592 -0.437 149 2HD1 LEU 18 2HD1 LEU 18 -5.322 4.295 -0.890 150 3HD1 LEU 18 3HD1 LEU 18 -5.572 3.804 0.786 151 1HD2 LEU 18 1HD2 LEU 18 -3.298 2.798 2.031 152 2HD2 LEU 18 2HD2 LEU 18 -2.009 2.466 0.880 153 3HD2 LEU 18 3HD2 LEU 18 -3.579 1.684 0.703 154 H SER 19 H SER 19 -1.539 6.341 -0.664 155 HA SER 19 HA SER 19 0.403 6.705 -2.886 156 1HB SER 19 2HB SER 19 0.274 8.225 -0.309 157 2HB SER 19 1HB SER 19 1.076 8.711 -1.804 158 HG SER 19 HG SER 19 -1.548 8.964 -1.024 159 H LEU 20 H LEU 20 2.651 6.392 -2.313 160 HA LEU 20 HA LEU 20 3.212 4.174 -0.708 161 1HB LEU 20 2HB LEU 20 4.736 5.441 -2.354 162 2HB LEU 20 1HB LEU 20 5.056 6.550 -1.029 163 HG LEU 20 HG LEU 20 6.556 4.409 -1.519 164 1HD1 LEU 20 1HD1 LEU 20 7.271 5.937 0.071 165 2HD1 LEU 20 2HD1 LEU 20 7.059 4.455 1.004 166 3HD1 LEU 20 3HD1 LEU 20 5.830 5.718 1.058 167 1HD2 LEU 20 1HD2 LEU 20 5.995 2.485 -0.334 168 2HD2 LEU 20 2HD2 LEU 20 4.438 2.987 -0.938 169 3HD2 LEU 20 3HD2 LEU 20 4.872 3.342 0.714 170 H ASP 21 H ASP 21 2.466 7.316 -0.046 171 HA ASP 21 HA ASP 21 3.453 7.558 2.652 172 1HB ASP 21 2HB ASP 21 0.976 9.010 1.782 173 2HB ASP 21 1HB ASP 21 2.353 9.605 2.711 174 H GLU 22 H GLU 22 0.174 6.607 1.291 175 HA GLU 22 HA GLU 22 -0.859 6.102 3.918 176 1HB GLU 22 2HB GLU 22 -1.758 5.329 1.158 177 2HB GLU 22 1HB GLU 22 -2.623 4.835 2.613 178 1HG GLU 22 2HG GLU 22 -2.784 7.238 3.267 179 2HG GLU 22 1HG GLU 22 -2.066 7.675 1.722 180 H PHE 23 H PHE 23 0.597 4.073 1.397 181 HA PHE 23 HA PHE 23 0.217 1.611 2.806 182 1HB PHE 23 2HB PHE 23 0.588 1.605 0.403 183 2HB PHE 23 1HB PHE 23 2.156 2.327 0.656 184 HD1 PHE 23 1HD PHE 23 0.125 -0.668 1.517 185 HD2 PHE 23 2HD PHE 23 4.040 1.020 1.111 186 HE1 PHE 23 1HE PHE 23 1.126 -2.902 1.902 187 HE2 PHE 23 2HE PHE 23 5.051 -1.212 1.490 188 HZ PHE 23 HZ PHE 23 3.591 -3.178 1.890 189 H ARG 24 H ARG 24 2.555 4.232 2.942 190 HA ARG 24 HA ARG 24 4.601 2.658 4.326 191 1HB ARG 24 2HB ARG 24 5.291 4.559 2.974 192 2HB ARG 24 1HB ARG 24 4.265 5.642 3.918 193 1HG ARG 24 2HG ARG 24 5.763 5.749 5.616 194 2HG ARG 24 1HG ARG 24 6.122 4.033 5.546 195 1HD ARG 24 2HD ARG 24 7.694 4.314 3.825 196 2HD ARG 24 1HD ARG 24 7.107 5.915 3.409 197 HE ARG 24 HE ARG 24 9.184 5.322 5.279 198 1HH1 ARG 24 1HH2 ARG 24 6.329 7.248 5.026 199 2HH1 ARG 24 2HH2 ARG 24 6.800 8.327 6.296 200 1HH2 ARG 24 1HH1 ARG 24 9.802 6.721 6.918 201 2HH2 ARG 24 2HH1 ARG 24 8.760 8.031 7.362 202 H GLU 25 H GLU 25 1.874 4.643 5.069 203 HA GLU 25 HA GLU 25 2.434 4.824 7.958 204 1HB GLU 25 2HB GLU 25 0.843 6.373 6.577 205 2HB GLU 25 1HB GLU 25 -0.312 5.043 6.686 206 1HG GLU 25 2HG GLU 25 -0.129 5.091 9.149 207 2HG GLU 25 1HG GLU 25 1.011 6.431 9.032 208 H VAL 26 H VAL 26 0.731 2.944 5.644 209 HA VAL 26 HA VAL 26 -0.624 0.999 7.230 210 HB VAL 26 HB VAL 26 0.326 1.479 4.489 211 1HG1 VAL 26 1HG1 VAL 26 -0.223 -1.300 5.441 212 2HG1 VAL 26 2HG1 VAL 26 1.140 -0.715 4.484 213 3HG1 VAL 26 3HG1 VAL 26 -0.464 -0.827 3.759 214 1HG2 VAL 26 1HG2 VAL 26 -1.966 0.752 3.924 215 2HG2 VAL 26 2HG2 VAL 26 -1.861 2.144 5.005 216 3HG2 VAL 26 3HG2 VAL 26 -2.229 0.551 5.654 217 H ALA 27 H ALA 27 2.510 1.151 5.674 218 HA ALA 27 HA ALA 27 3.314 -1.489 6.473 219 1HB ALA 27 1HB ALA 27 5.032 0.750 5.400 220 2HB ALA 27 2HB ALA 27 4.092 -0.343 4.385 221 3HB ALA 27 3HB ALA 27 5.408 -0.971 5.376 222 H LEU 28 H LEU 28 3.867 1.761 7.572 223 HA LEU 28 HA LEU 28 5.855 1.011 9.579 224 1HB LEU 28 2HB LEU 28 4.353 3.526 8.909 225 2HB LEU 28 1HB LEU 28 5.212 3.407 10.441 226 HG LEU 28 HG LEU 28 7.301 3.375 9.443 227 1HD1 LEU 28 1HD1 LEU 28 7.543 2.806 6.924 228 2HD1 LEU 28 2HD1 LEU 28 5.928 2.126 7.063 229 3HD1 LEU 28 3HD1 LEU 28 7.243 1.476 8.037 230 1HD2 LEU 28 1HD2 LEU 28 7.196 4.917 7.386 231 2HD2 LEU 28 2HD2 LEU 28 6.480 5.522 8.879 232 3HD2 LEU 28 3HD2 LEU 28 5.448 4.885 7.602 233 H ALA 29 H ALA 29 2.343 1.470 9.474 234 HA ALA 29 HA ALA 29 2.017 1.462 12.342 235 1HB ALA 29 1HB ALA 29 0.112 1.063 10.022 236 2HB ALA 29 2HB ALA 29 0.413 2.565 10.897 237 3HB ALA 29 3HB ALA 29 -0.394 1.220 11.704 238 H PHE 30 H PHE 30 0.994 -0.930 9.856 239 HA PHE 30 HA PHE 30 0.578 -2.941 11.940 240 1HB PHE 30 2HB PHE 30 0.251 -2.901 8.944 241 2HB PHE 30 1HB PHE 30 0.103 -4.406 9.859 242 HD1 PHE 30 1HD PHE 30 -1.161 -0.881 9.770 243 HD2 PHE 30 2HD PHE 30 -1.928 -4.950 10.910 244 HE1 PHE 30 1HE PHE 30 -3.475 -0.266 10.413 245 HE2 PHE 30 2HE PHE 30 -4.242 -4.335 11.552 246 HZ PHE 30 HZ PHE 30 -5.016 -1.993 11.303 247 H SER 31 H SER 31 2.831 -2.632 9.173 248 HA SER 31 HA SER 31 4.468 -4.808 10.430 249 1HB SER 31 2HB SER 31 4.717 -3.903 7.568 250 2HB SER 31 1HB SER 31 5.208 -5.434 8.287 251 HG SER 31 HG SER 31 2.961 -5.851 8.637 252 HA PRO 32 HA PRO 32 6.628 -0.632 10.815 253 1HB PRO 32 2HB PRO 32 7.743 -1.373 13.287 254 2HB PRO 32 1HB PRO 32 6.305 -0.359 13.055 255 1HG PRO 32 2HG PRO 32 6.498 -3.246 13.713 256 2HG PRO 32 1HG PRO 32 5.295 -2.044 14.217 257 1HD PRO 32 2HD PRO 32 4.757 -3.902 12.325 258 2HD PRO 32 1HD PRO 32 4.051 -2.270 12.264 259 H TYR 33 H TYR 33 7.637 -4.001 10.948 260 HA TYR 33 HA TYR 33 10.473 -3.377 10.957 261 1HB TYR 33 2HB TYR 33 9.365 -5.980 9.945 262 2HB TYR 33 1HB TYR 33 10.801 -5.682 10.932 263 HD1 TYR 33 1HD TYR 33 7.264 -6.438 10.950 264 HD2 TYR 33 2HD TYR 33 10.498 -4.933 13.342 265 HE1 TYR 33 1HE TYR 33 5.942 -6.862 13.005 266 HE2 TYR 33 2HE TYR 33 9.177 -5.356 15.397 267 HH TYR 33 HH TYR 33 6.142 -5.629 15.604 268 H PHE 34 H PHE 34 8.082 -3.055 8.587 269 HA PHE 34 HA PHE 34 9.560 -3.988 6.289 270 1HB PHE 34 2HB PHE 34 7.062 -2.548 6.711 271 2HB PHE 34 1HB PHE 34 8.021 -1.733 5.502 272 HD1 PHE 34 1HD PHE 34 6.447 -4.950 6.399 273 HD2 PHE 34 2HD PHE 34 8.400 -2.683 3.323 274 HE1 PHE 34 1HE PHE 34 5.801 -6.666 4.728 275 HE2 PHE 34 2HE PHE 34 7.756 -4.396 1.651 276 HZ PHE 34 HZ PHE 34 6.456 -6.387 2.353 277 H THR 35 H THR 35 11.326 -3.192 5.447 278 HA THR 35 HA THR 35 12.395 -0.706 6.510 279 HB THR 35 HB THR 35 13.936 -1.535 4.285 280 HG1 THR 35 1HG THR 35 14.103 -3.701 4.581 281 1HG2 THR 35 1HG2 THR 35 15.491 -2.163 6.100 282 2HG2 THR 35 2HG2 THR 35 14.165 -2.021 7.255 283 3HG2 THR 35 3HG2 THR 35 14.731 -0.596 6.382 284 H GLN 36 H GLN 36 12.617 1.186 5.440 285 HA GLN 36 HA GLN 36 10.624 2.024 3.698 286 1HB GLN 36 2HB GLN 36 12.299 3.416 4.997 287 2HB GLN 36 1HB GLN 36 13.441 3.092 3.693 288 1HG GLN 36 2HG GLN 36 12.173 5.251 3.413 289 2HG GLN 36 1HG GLN 36 12.011 4.148 2.058 290 1HE2 GLN 36 1HE2 GLN 36 9.901 4.751 1.374 291 2HE2 GLN 36 2HE2 GLN 36 8.525 4.578 2.351 292 H GLU 37 H GLU 37 13.594 0.375 2.982 293 HA GLU 37 HA GLU 37 13.499 0.896 0.096 294 1HB GLU 37 2HB GLU 37 15.617 0.293 1.323 295 2HB GLU 37 1HB GLU 37 14.962 -1.325 1.573 296 1HG GLU 37 2HG GLU 37 14.853 -1.720 -0.813 297 2HG GLU 37 1HG GLU 37 15.307 -0.049 -1.152 298 H ASP 38 H ASP 38 12.369 -1.615 2.309 299 HA ASP 38 HA ASP 38 11.477 -3.402 0.196 300 1HB ASP 38 2HB ASP 38 10.950 -3.223 3.167 301 2HB ASP 38 1HB ASP 38 10.109 -4.398 2.149 302 H ILE 39 H ILE 39 9.961 -0.913 2.233 303 HA ILE 39 HA ILE 39 7.274 -1.298 1.302 304 HB ILE 39 HB ILE 39 8.487 1.346 2.155 305 1HG1 ILE 39 2HG1 ILE 39 7.256 -0.705 3.991 306 2HG1 ILE 39 1HG1 ILE 39 8.995 -0.617 3.722 307 1HG2 ILE 39 1HG2 ILE 39 6.020 0.898 1.244 308 2HG2 ILE 39 2HG2 ILE 39 6.318 2.030 2.560 309 3HG2 ILE 39 3HG2 ILE 39 5.753 0.397 2.911 310 1HD1 ILE 39 1HD1 ILE 39 7.325 1.047 5.413 311 2HD1 ILE 39 2HD1 ILE 39 8.199 2.038 4.248 312 3HD1 ILE 39 3HD1 ILE 39 9.081 0.964 5.332 313 H VAL 40 H VAL 40 9.852 0.859 0.295 314 HA VAL 40 HA VAL 40 8.307 2.050 -1.837 315 HB VAL 40 HB VAL 40 10.444 3.088 -2.454 316 1HG1 VAL 40 1HG1 VAL 40 9.687 2.985 0.460 317 2HG1 VAL 40 2HG1 VAL 40 9.019 4.063 -0.764 318 3HG1 VAL 40 3HG1 VAL 40 10.697 4.242 -0.253 319 1HG2 VAL 40 1HG2 VAL 40 12.188 1.663 -2.075 320 2HG2 VAL 40 2HG2 VAL 40 11.449 0.993 -0.627 321 3HG2 VAL 40 3HG2 VAL 40 12.239 2.572 -0.566 322 H LYS 41 H LYS 41 10.640 -0.651 -1.683 323 HA LYS 41 HA LYS 41 10.827 -0.902 -4.545 324 1HB LYS 41 2HB LYS 41 12.299 -2.148 -2.927 325 2HB LYS 41 1HB LYS 41 10.898 -3.107 -2.445 326 1HG LYS 41 2HG LYS 41 10.643 -3.768 -4.883 327 2HG LYS 41 1HG LYS 41 12.203 -3.000 -5.177 328 1HD LYS 41 2HD LYS 41 12.872 -5.194 -4.779 329 2HD LYS 41 1HD LYS 41 12.992 -4.515 -3.157 330 1HE LYS 41 2HE LYS 41 10.785 -5.396 -2.585 331 2HE LYS 41 1HE LYS 41 10.566 -5.988 -4.232 332 1HZ LYS 41 1HZ LYS 41 11.294 -7.823 -3.011 333 2HZ LYS 41 2HZ LYS 41 12.478 -6.930 -2.183 334 3HZ LYS 41 3HZ LYS 41 12.681 -7.291 -3.830 335 H PHE 42 H PHE 42 8.836 -2.636 -2.131 336 HA PHE 42 HA PHE 42 7.057 -3.917 -3.844 337 1HB PHE 42 2HB PHE 42 6.765 -4.599 -1.675 338 2HB PHE 42 1HB PHE 42 7.123 -3.011 -1.024 339 HD1 PHE 42 1HD PHE 42 4.600 -5.419 -1.486 340 HD2 PHE 42 2HD PHE 42 5.234 -1.172 -1.472 341 HE1 PHE 42 1HE PHE 42 2.202 -5.056 -0.977 342 HE2 PHE 42 2HE PHE 42 2.834 -0.811 -0.998 343 HZ PHE 42 HZ PHE 42 1.319 -2.750 -0.734 344 H PHE 43 H PHE 43 6.681 -0.626 -2.421 345 HA PHE 43 HA PHE 43 4.205 -0.129 -3.879 346 1HB PHE 43 2HB PHE 43 4.730 1.009 -1.806 347 2HB PHE 43 1HB PHE 43 6.190 1.696 -2.512 348 HD1 PHE 43 1HD PHE 43 5.885 3.250 -4.591 349 HD2 PHE 43 2HD PHE 43 2.722 2.147 -1.925 350 HE1 PHE 43 1HE PHE 43 4.582 5.217 -5.299 351 HE2 PHE 43 2HE PHE 43 1.432 4.127 -2.633 352 HZ PHE 43 HZ PHE 43 2.355 5.660 -4.340 353 H GLU 44 H GLU 44 7.495 1.127 -4.318 354 HA GLU 44 HA GLU 44 7.019 2.691 -6.635 355 1HB GLU 44 2HB GLU 44 9.508 1.084 -5.971 356 2HB GLU 44 1HB GLU 44 9.418 2.346 -7.196 357 1HG GLU 44 2HG GLU 44 8.552 2.952 -4.378 358 2HG GLU 44 1HG GLU 44 10.270 2.964 -4.792 359 H GLU 45 H GLU 45 7.761 -0.764 -6.352 360 HA GLU 45 HA GLU 45 7.803 -1.314 -9.169 361 1HB GLU 45 2HB GLU 45 8.610 -2.701 -7.062 362 2HB GLU 45 1HB GLU 45 6.963 -3.349 -7.130 363 1HG GLU 45 2HG GLU 45 8.901 -3.293 -9.458 364 2HG GLU 45 1HG GLU 45 8.627 -4.704 -8.435 365 H ILE 46 H ILE 46 5.244 -1.184 -6.754 366 HA ILE 46 HA ILE 46 3.337 -2.389 -8.667 367 HB ILE 46 HB ILE 46 3.616 -2.572 -5.929 368 1HG1 ILE 46 2HG1 ILE 46 1.258 -3.602 -6.093 369 2HG1 ILE 46 1HG1 ILE 46 1.319 -3.136 -7.786 370 1HG2 ILE 46 1HG2 ILE 46 2.676 -0.294 -5.721 371 2HG2 ILE 46 2HG2 ILE 46 1.692 -1.522 -4.934 372 3HG2 ILE 46 3HG2 ILE 46 1.199 -0.872 -6.489 373 1HD1 ILE 46 1HD1 ILE 46 3.578 -4.717 -6.578 374 2HD1 ILE 46 2HD1 ILE 46 3.087 -4.606 -8.268 375 3HD1 ILE 46 3HD1 ILE 46 2.114 -5.530 -7.126 376 H ASP 47 H ASP 47 4.182 0.761 -7.365 377 HA ASP 47 HA ASP 47 1.673 2.019 -8.153 378 1HB ASP 47 2HB ASP 47 3.004 3.196 -6.518 379 2HB ASP 47 1HB ASP 47 4.441 3.108 -7.540 380 H VAL 48 H VAL 48 1.739 0.749 -10.314 381 HA VAL 48 HA VAL 48 3.722 1.379 -12.286 382 HB VAL 48 HB VAL 48 2.377 -0.674 -12.262 383 1HG1 VAL 48 1HG1 VAL 48 0.047 -0.702 -12.397 384 2HG1 VAL 48 2HG1 VAL 48 -0.028 0.908 -13.109 385 3HG1 VAL 48 3HG1 VAL 48 0.319 0.723 -11.393 386 1HG2 VAL 48 1HG2 VAL 48 1.452 0.937 -14.641 387 2HG2 VAL 48 2HG2 VAL 48 1.949 -0.755 -14.595 388 3HG2 VAL 48 3HG2 VAL 48 3.156 0.523 -14.447 389 H ASP 49 H ASP 49 0.691 2.839 -11.403 390 HA ASP 49 HA ASP 49 0.280 4.040 -14.004 391 1HB ASP 49 2HB ASP 49 -1.770 4.212 -13.139 392 2HB ASP 49 1HB ASP 49 -1.160 3.746 -11.552 393 H GLY 50 H GLY 50 2.261 4.760 -11.329 394 1HA GLY 50 2HA GLY 50 3.803 6.399 -11.080 395 2HA GLY 50 1HA GLY 50 3.415 6.985 -12.695 396 H ASN 51 H ASN 51 0.650 6.836 -10.688 397 HA ASN 51 HA ASN 51 0.589 9.773 -10.563 398 1HB ASN 51 2HB ASN 51 -1.478 8.309 -10.961 399 2HB ASN 51 1HB ASN 51 -1.375 7.864 -9.254 400 1HD2 ASN 51 1HD2 ASN 51 -1.516 9.722 -7.668 401 2HD2 ASN 51 2HD2 ASN 51 -2.381 11.106 -8.117 402 H GLY 52 H GLY 52 2.172 7.488 -8.937 403 1HA GLY 52 2HA GLY 52 3.393 7.633 -6.930 404 2HA GLY 52 1HA GLY 52 2.610 9.182 -6.621 405 H GLU 53 H GLU 53 0.611 6.429 -7.366 406 HA GLU 53 HA GLU 53 0.094 5.923 -4.492 407 1HB GLU 53 2HB GLU 53 -2.352 6.313 -6.125 408 2HB GLU 53 1HB GLU 53 -2.060 6.772 -4.452 409 1HG GLU 53 2HG GLU 53 -0.661 8.663 -5.228 410 2HG GLU 53 1HG GLU 53 -1.007 8.215 -6.898 411 H LEU 54 H LEU 54 -1.165 4.027 -4.062 412 HA LEU 54 HA LEU 54 -0.677 1.902 -6.005 413 1HB LEU 54 2HB LEU 54 -2.174 2.016 -3.378 414 2HB LEU 54 1HB LEU 54 -1.891 0.579 -4.259 415 HG LEU 54 HG LEU 54 -0.088 0.367 -2.958 416 1HD1 LEU 54 1HD1 LEU 54 1.951 1.193 -3.865 417 2HD1 LEU 54 2HD1 LEU 54 1.145 2.589 -4.581 418 3HD1 LEU 54 3HD1 LEU 54 0.872 0.982 -5.230 419 1HD2 LEU 54 1HD2 LEU 54 0.864 2.344 -1.783 420 2HD2 LEU 54 2HD2 LEU 54 -0.832 2.048 -1.497 421 3HD2 LEU 54 3HD2 LEU 54 -0.343 3.320 -2.608 422 H ASN 55 H ASN 55 -2.179 1.129 -7.423 423 HA ASN 55 HA ASN 55 -4.841 2.439 -7.419 424 1HB ASN 55 2HB ASN 55 -4.738 0.652 -9.576 425 2HB ASN 55 1HB ASN 55 -4.514 2.395 -9.652 426 1HD2 ASN 55 1HD2 ASN 55 -3.102 -0.226 -10.840 427 2HD2 ASN 55 2HD2 ASN 55 -1.464 0.188 -10.722 428 H ALA 56 H ALA 56 -6.581 0.707 -8.310 429 HA ALA 56 HA ALA 56 -7.023 -1.077 -6.109 430 1HB ALA 56 1HB ALA 56 -8.768 0.053 -7.503 431 2HB ALA 56 2HB ALA 56 -9.047 -1.666 -7.232 432 3HB ALA 56 3HB ALA 56 -8.413 -1.107 -8.781 433 H ASP 57 H ASP 57 -6.491 -2.030 -9.594 434 HA ASP 57 HA ASP 57 -6.158 -4.762 -8.998 435 1HB ASP 57 2HB ASP 57 -6.364 -3.683 -11.293 436 2HB ASP 57 1HB ASP 57 -4.651 -3.280 -11.164 437 H GLU 58 H GLU 58 -3.706 -2.198 -9.171 438 HA GLU 58 HA GLU 58 -1.505 -3.942 -8.534 439 1HB GLU 58 2HB GLU 58 -1.854 -0.940 -8.425 440 2HB GLU 58 1HB GLU 58 -0.376 -1.710 -7.874 441 1HG GLU 58 2HG GLU 58 -1.569 -1.848 -10.655 442 2HG GLU 58 1HG GLU 58 -0.083 -1.040 -10.174 443 H PHE 59 H PHE 59 -3.861 -2.199 -6.680 444 HA PHE 59 HA PHE 59 -2.683 -2.113 -4.117 445 1HB PHE 59 2HB PHE 59 -5.403 -2.213 -5.239 446 2HB PHE 59 1HB PHE 59 -5.293 -2.881 -3.639 447 HD1 PHE 59 1HD PHE 59 -3.394 -1.293 -2.216 448 HD2 PHE 59 2HD PHE 59 -6.270 -0.098 -5.145 449 HE1 PHE 59 1HE PHE 59 -3.439 0.990 -1.285 450 HE2 PHE 59 2HE PHE 59 -6.292 2.154 -4.246 451 HZ PHE 59 HZ PHE 59 -4.891 2.714 -2.328 452 H THR 60 H THR 60 -4.463 -4.764 -5.745 453 HA THR 60 HA THR 60 -4.157 -6.553 -3.456 454 HB THR 60 HB THR 60 -5.530 -7.995 -4.624 455 HG1 THR 60 1HG THR 60 -5.222 -7.263 -7.174 456 1HG2 THR 60 1HG2 THR 60 -6.429 -5.593 -4.557 457 2HG2 THR 60 2HG2 THR 60 -7.194 -6.697 -5.702 458 3HG2 THR 60 3HG2 THR 60 -6.013 -5.517 -6.270 459 H SER 61 H SER 61 -2.693 -6.329 -6.688 460 HA SER 61 HA SER 61 -1.060 -8.616 -6.553 461 1HB SER 61 2HB SER 61 -1.294 -6.952 -8.489 462 2HB SER 61 1HB SER 61 -0.137 -5.931 -7.628 463 HG SER 61 HG SER 61 0.209 -8.392 -8.906 464 H CYS 62 H CYS 62 -0.756 -5.476 -4.945 465 HA CYS 62 HA CYS 62 1.976 -6.014 -4.078 466 1HB CYS 62 2HB CYS 62 0.197 -3.792 -4.101 467 2HB CYS 62 1HB CYS 62 0.648 -4.078 -2.425 468 HG CYS 62 HG CYS 62 3.050 -4.132 -4.320 469 H ILE 63 H ILE 63 -1.222 -5.973 -2.504 470 HA ILE 63 HA ILE 63 -0.264 -6.877 0.005 471 HB ILE 63 HB ILE 63 -2.963 -7.270 -1.302 472 1HG1 ILE 63 2HG1 ILE 63 -2.610 -4.944 -1.013 473 2HG1 ILE 63 1HG1 ILE 63 -3.495 -5.412 0.433 474 1HG2 ILE 63 1HG2 ILE 63 -2.834 -8.899 0.428 475 2HG2 ILE 63 2HG2 ILE 63 -3.685 -7.530 1.144 476 3HG2 ILE 63 3HG2 ILE 63 -1.980 -7.794 1.505 477 1HD1 ILE 63 1HD1 ILE 63 -0.556 -4.825 0.145 478 2HD1 ILE 63 2HD1 ILE 63 -1.179 -5.755 1.514 479 3HD1 ILE 63 3HD1 ILE 63 -1.719 -4.099 1.250 480 H GLU 64 H GLU 64 -1.365 -8.860 -2.853 481 HA GLU 64 HA GLU 64 -0.983 -11.304 -1.465 482 1HB GLU 64 2HB GLU 64 -0.920 -10.484 -4.374 483 2HB GLU 64 1HB GLU 64 -0.559 -12.141 -3.885 484 1HG GLU 64 2HG GLU 64 -2.944 -11.918 -4.441 485 2HG GLU 64 1HG GLU 64 -2.743 -12.262 -2.721 486 H LYS 65 H LYS 65 1.207 -8.876 -2.724 487 HA LYS 65 HA LYS 65 3.502 -10.552 -3.143 488 1HB LYS 65 2HB LYS 65 3.074 -7.939 -3.483 489 2HB LYS 65 1HB LYS 65 3.793 -7.844 -1.876 490 1HG LYS 65 2HG LYS 65 5.825 -8.829 -2.611 491 2HG LYS 65 1HG LYS 65 5.095 -9.388 -4.116 492 1HD LYS 65 2HD LYS 65 5.165 -7.291 -5.099 493 2HD LYS 65 1HD LYS 65 5.072 -6.448 -3.554 494 1HE LYS 65 2HE LYS 65 7.333 -6.356 -4.749 495 2HE LYS 65 1HE LYS 65 7.369 -6.882 -3.066 496 1HZ LYS 65 1HZ LYS 65 8.676 -8.415 -4.231 497 2HZ LYS 65 2HZ LYS 65 7.564 -8.542 -5.508 498 3HZ LYS 65 3HZ LYS 65 7.199 -9.212 -3.990 499 H MET 66 H MET 66 1.665 -10.066 -0.495 500 HA MET 66 HA MET 66 3.591 -11.445 1.251 501 1HB MET 66 2HB MET 66 3.548 -9.671 3.041 502 2HB MET 66 1HB MET 66 4.457 -9.262 1.588 503 1HG MET 66 2HG MET 66 2.401 -8.082 0.728 504 2HG MET 66 1HG MET 66 1.659 -8.351 2.306 505 1HE MET 66 1HE MET 66 1.211 -6.188 3.057 506 2HE MET 66 2HE MET 66 1.686 -5.407 1.551 507 3HE MET 66 3HE MET 66 2.281 -4.779 3.087 508 H LEU 67 H LEU 67 0.311 -11.005 0.563 509 HA LEU 67 HA LEU 67 -0.460 -11.592 3.360 510 1HB LEU 67 2HB LEU 67 -1.790 -9.946 2.186 511 2HB LEU 67 1HB LEU 67 -2.046 -11.048 0.840 512 HG LEU 67 HG LEU 67 -3.974 -10.814 2.521 513 1HD1 LEU 67 1HD1 LEU 67 -3.301 -13.690 2.575 514 2HD1 LEU 67 2HD1 LEU 67 -3.197 -12.947 0.979 515 3HD1 LEU 67 3HD1 LEU 67 -4.701 -12.868 1.893 516 1HD2 LEU 67 1HD2 LEU 67 -2.339 -10.919 4.497 517 2HD2 LEU 67 2HD2 LEU 67 -2.287 -12.661 4.219 518 3HD2 LEU 67 3HD2 LEU 67 -3.811 -11.878 4.637 Start of MODEL 18 1 HA SER 1 HA SER 1 -7.750 -10.589 -1.615 2 1HB SER 1 2HB SER 1 -10.057 -11.424 -1.265 3 2HB SER 1 1HB SER 1 -8.898 -12.746 -1.339 4 HG SER 1 HG SER 1 -9.425 -13.238 0.628 5 H SER 2 H SER 2 -7.703 -10.311 1.824 6 HA SER 2 HA SER 2 -9.715 -8.235 2.054 7 1HB SER 2 2HB SER 2 -7.601 -8.150 4.079 8 2HB SER 2 1HB SER 2 -9.323 -8.464 4.274 9 HG SER 2 HG SER 2 -7.209 -10.235 3.762 10 H ALA 3 H ALA 3 -7.552 -7.868 -0.012 11 HA ALA 3 HA ALA 3 -5.871 -5.718 0.978 12 1HB ALA 3 1HB ALA 3 -5.054 -7.019 -0.879 13 2HB ALA 3 2HB ALA 3 -5.367 -5.385 -1.469 14 3HB ALA 3 3HB ALA 3 -6.508 -6.683 -1.817 15 H LYS 4 H LYS 4 -8.961 -5.911 -0.715 16 HA LYS 4 HA LYS 4 -9.057 -3.039 -1.210 17 1HB LYS 4 2HB LYS 4 -10.354 -4.395 -2.688 18 2HB LYS 4 1HB LYS 4 -11.112 -5.255 -1.355 19 1HG LYS 4 2HG LYS 4 -12.667 -3.611 -1.015 20 2HG LYS 4 1HG LYS 4 -11.497 -2.320 -1.281 21 1HD LYS 4 2HD LYS 4 -12.468 -4.006 -3.586 22 2HD LYS 4 1HD LYS 4 -13.409 -2.626 -3.021 23 1HE LYS 4 2HE LYS 4 -10.476 -2.257 -3.548 24 2HE LYS 4 1HE LYS 4 -11.590 -2.301 -4.913 25 1HZ LYS 4 1HZ LYS 4 -12.336 -0.284 -4.424 26 2HZ LYS 4 2HZ LYS 4 -11.050 -0.143 -3.324 27 3HZ LYS 4 3HZ LYS 4 -12.573 -0.672 -2.790 28 H ARG 5 H ARG 5 -10.104 -5.291 1.270 29 HA ARG 5 HA ARG 5 -11.699 -3.428 2.797 30 1HB ARG 5 2HB ARG 5 -11.613 -5.997 2.995 31 2HB ARG 5 1HB ARG 5 -10.107 -5.764 3.891 32 1HG ARG 5 2HG ARG 5 -12.409 -4.103 4.798 33 2HG ARG 5 1HG ARG 5 -12.568 -5.836 5.074 34 1HD ARG 5 2HD ARG 5 -10.720 -5.919 6.495 35 2HD ARG 5 1HD ARG 5 -9.998 -4.464 5.812 36 HE ARG 5 HE ARG 5 -12.353 -3.562 6.964 37 1HH1 ARG 5 1HH2 ARG 5 -9.612 -5.402 7.957 38 2HH1 ARG 5 2HH2 ARG 5 -9.681 -4.866 9.601 39 1HH2 ARG 5 1HH1 ARG 5 -12.457 -2.849 9.107 40 2HH2 ARG 5 2HH1 ARG 5 -11.290 -3.419 10.252 41 H VAL 6 H VAL 6 -8.351 -4.633 3.199 42 HA VAL 6 HA VAL 6 -7.694 -2.891 5.348 43 HB VAL 6 HB VAL 6 -6.421 -4.924 3.979 44 1HG1 VAL 6 1HG1 VAL 6 -5.612 -3.634 2.175 45 2HG1 VAL 6 2HG1 VAL 6 -4.237 -3.864 3.253 46 3HG1 VAL 6 3HG1 VAL 6 -5.091 -2.326 3.231 47 1HG2 VAL 6 1HG2 VAL 6 -4.375 -4.128 5.445 48 2HG2 VAL 6 2HG2 VAL 6 -5.859 -4.683 6.219 49 3HG2 VAL 6 3HG2 VAL 6 -5.541 -2.958 6.065 50 H PHE 7 H PHE 7 -7.999 -2.451 1.961 51 HA PHE 7 HA PHE 7 -6.554 0.082 1.797 52 1HB PHE 7 2HB PHE 7 -6.902 -1.290 -0.225 53 2HB PHE 7 1HB PHE 7 -8.631 -1.107 -0.044 54 HD1 PHE 7 1HD PHE 7 -7.835 -0.403 -2.587 55 HD2 PHE 7 2HD PHE 7 -7.451 2.003 0.949 56 HE1 PHE 7 1HE PHE 7 -7.870 1.652 -3.943 57 HE2 PHE 7 2HE PHE 7 -7.509 4.014 -0.418 58 HZ PHE 7 HZ PHE 7 -7.729 3.861 -2.827 59 H GLU 8 H GLU 8 -10.079 -0.756 1.884 60 HA GLU 8 HA GLU 8 -11.029 1.888 1.922 61 1HB GLU 8 2HB GLU 8 -13.060 1.044 2.741 62 2HB GLU 8 1HB GLU 8 -12.351 -0.370 1.981 63 1HG GLU 8 2HG GLU 8 -11.713 -1.298 4.076 64 2HG GLU 8 1HG GLU 8 -12.000 0.215 4.932 65 H LYS 9 H LYS 9 -9.687 -0.056 4.543 66 HA LYS 9 HA LYS 9 -10.139 1.852 6.632 67 1HB LYS 9 2HB LYS 9 -8.969 -0.709 6.409 68 2HB LYS 9 1HB LYS 9 -7.694 0.331 7.043 69 1HG LYS 9 2HG LYS 9 -10.499 0.191 8.189 70 2HG LYS 9 1HG LYS 9 -9.121 -0.708 8.830 71 1HD LYS 9 2HD LYS 9 -8.121 1.172 9.711 72 2HD LYS 9 1HD LYS 9 -8.747 2.232 8.448 73 1HE LYS 9 2HE LYS 9 -9.748 2.532 10.793 74 2HE LYS 9 1HE LYS 9 -10.894 2.350 9.464 75 1HZ LYS 9 1HZ LYS 9 -10.423 0.637 11.708 76 2HZ LYS 9 2HZ LYS 9 -10.370 -0.206 10.234 77 3HZ LYS 9 3HZ LYS 9 -11.749 0.694 10.651 78 H PHE 10 H PHE 10 -7.393 1.391 4.384 79 HA PHE 10 HA PHE 10 -5.984 3.700 5.566 80 1HB PHE 10 2HB PHE 10 -5.243 2.136 3.117 81 2HB PHE 10 1HB PHE 10 -4.188 3.140 4.114 82 HD1 PHE 10 1HD PHE 10 -4.995 2.369 6.850 83 HD2 PHE 10 2HD PHE 10 -4.377 -0.072 3.364 84 HE1 PHE 10 1HE PHE 10 -4.469 0.438 8.300 85 HE2 PHE 10 2HE PHE 10 -3.835 -2.000 4.831 86 HZ PHE 10 HZ PHE 10 -3.890 -1.749 7.291 87 H ASP 11 H ASP 11 -8.169 3.076 2.915 88 HA ASP 11 HA ASP 11 -7.394 5.140 1.178 89 1HB ASP 11 2HB ASP 11 -9.417 3.426 1.081 90 2HB ASP 11 1HB ASP 11 -10.302 4.753 1.833 91 H LYS 12 H LYS 12 -6.471 6.575 2.664 92 HA LYS 12 HA LYS 12 -8.145 8.127 4.504 93 1HB LYS 12 2HB LYS 12 -6.108 8.406 5.439 94 2HB LYS 12 1HB LYS 12 -5.388 7.562 4.071 95 1HG LYS 12 2HG LYS 12 -5.275 9.681 2.814 96 2HG LYS 12 1HG LYS 12 -5.968 10.528 4.199 97 1HD LYS 12 2HD LYS 12 -4.058 10.280 5.488 98 2HD LYS 12 1HD LYS 12 -3.572 8.801 4.653 99 1HE LYS 12 2HE LYS 12 -2.095 10.735 4.098 100 2HE LYS 12 1HE LYS 12 -2.923 10.095 2.679 101 1HZ LYS 12 1HZ LYS 12 -4.329 12.177 4.128 102 2HZ LYS 12 2HZ LYS 12 -4.159 11.939 2.453 103 3HZ LYS 12 3HZ LYS 12 -2.911 12.671 3.343 104 H ASN 13 H ASN 13 -7.542 8.054 1.245 105 HA ASN 13 HA ASN 13 -8.309 10.928 0.896 106 1HB ASN 13 2HB ASN 13 -7.290 10.496 -1.482 107 2HB ASN 13 1HB ASN 13 -6.199 10.822 -0.131 108 1HD2 ASN 13 1HD2 ASN 13 -7.963 7.761 -0.733 109 2HD2 ASN 13 2HD2 ASN 13 -6.568 6.818 -0.950 110 H LYS 14 H LYS 14 -9.662 8.119 1.105 111 HA LYS 14 HA LYS 14 -11.295 6.845 -0.160 112 1HB LYS 14 2HB LYS 14 -12.475 9.616 -0.431 113 2HB LYS 14 1HB LYS 14 -13.320 8.085 -0.220 114 1HG LYS 14 2HG LYS 14 -13.412 8.699 1.978 115 2HG LYS 14 1HG LYS 14 -11.757 8.096 2.021 116 1HD LYS 14 2HD LYS 14 -11.721 10.293 2.993 117 2HD LYS 14 1HD LYS 14 -10.997 10.434 1.393 118 1HE LYS 14 2HE LYS 14 -13.800 10.802 1.053 119 2HE LYS 14 1HE LYS 14 -13.313 11.796 2.427 120 1HZ LYS 14 1HZ LYS 14 -11.372 12.463 0.896 121 2HZ LYS 14 2HZ LYS 14 -12.900 13.159 0.636 122 3HZ LYS 14 3HZ LYS 14 -12.361 11.892 -0.359 123 H ASP 15 H ASP 15 -9.280 7.160 -1.752 124 HA ASP 15 HA ASP 15 -10.251 8.412 -4.269 125 1HB ASP 15 2HB ASP 15 -7.529 7.845 -3.143 126 2HB ASP 15 1HB ASP 15 -7.726 7.955 -4.894 127 H GLY 16 H GLY 16 -9.066 5.235 -2.930 128 1HA GLY 16 2HA GLY 16 -9.722 3.188 -3.999 129 2HA GLY 16 1HA GLY 16 -10.054 4.099 -5.484 130 H LYS 17 H LYS 17 -7.452 5.155 -3.729 131 HA LYS 17 HA LYS 17 -5.387 3.512 -4.907 132 1HB LYS 17 2HB LYS 17 -5.600 6.452 -5.552 133 2HB LYS 17 1HB LYS 17 -4.246 5.400 -5.916 134 1HG LYS 17 2HG LYS 17 -5.287 5.162 -7.944 135 2HG LYS 17 1HG LYS 17 -6.282 3.999 -7.078 136 1HD LYS 17 2HD LYS 17 -7.858 5.437 -8.098 137 2HD LYS 17 1HD LYS 17 -7.757 6.029 -6.432 138 1HE LYS 17 2HE LYS 17 -7.461 8.037 -7.524 139 2HE LYS 17 1HE LYS 17 -5.780 7.501 -7.510 140 1HZ LYS 17 1HZ LYS 17 -5.861 6.891 -9.705 141 2HZ LYS 17 2HZ LYS 17 -6.882 8.249 -9.716 142 3HZ LYS 17 3HZ LYS 17 -7.544 6.685 -9.716 143 H LEU 18 H LEU 18 -3.506 3.787 -3.853 144 HA LEU 18 HA LEU 18 -3.509 5.626 -1.516 145 1HB LEU 18 2HB LEU 18 -3.160 2.799 -1.692 146 2HB LEU 18 1HB LEU 18 -1.797 3.586 -0.956 147 HG LEU 18 HG LEU 18 -3.317 4.823 0.480 148 1HD1 LEU 18 1HD1 LEU 18 -5.606 3.252 0.488 149 2HD1 LEU 18 2HD1 LEU 18 -5.331 3.683 -1.207 150 3HD1 LEU 18 3HD1 LEU 18 -5.476 4.936 0.010 151 1HD2 LEU 18 1HD2 LEU 18 -3.765 2.836 1.877 152 2HD2 LEU 18 2HD2 LEU 18 -2.150 2.852 1.182 153 3HD2 LEU 18 3HD2 LEU 18 -3.403 1.831 0.480 154 H SER 19 H SER 19 -1.486 6.341 -0.834 155 HA SER 19 HA SER 19 0.513 6.519 -3.025 156 1HB SER 19 2HB SER 19 0.444 8.179 -0.530 157 2HB SER 19 1HB SER 19 1.228 8.557 -2.063 158 HG SER 19 HG SER 19 -1.360 8.144 -2.510 159 H LEU 20 H LEU 20 2.749 6.186 -2.382 160 HA LEU 20 HA LEU 20 3.185 3.971 -0.743 161 1HB LEU 20 2HB LEU 20 4.817 5.141 -2.343 162 2HB LEU 20 1HB LEU 20 5.121 6.281 -1.042 163 HG LEU 20 HG LEU 20 6.608 4.132 -1.385 164 1HD1 LEU 20 1HD1 LEU 20 6.723 4.118 1.262 165 2HD1 LEU 20 2HD1 LEU 20 5.742 5.566 1.046 166 3HD1 LEU 20 3HD1 LEU 20 7.332 5.462 0.303 167 1HD2 LEU 20 1HD2 LEU 20 5.930 2.200 -0.275 168 2HD2 LEU 20 2HD2 LEU 20 4.447 2.717 -1.027 169 3HD2 LEU 20 3HD2 LEU 20 4.713 3.049 0.667 170 H ASP 21 H ASP 21 2.610 7.181 -0.102 171 HA ASP 21 HA ASP 21 3.551 7.352 2.611 172 1HB ASP 21 2HB ASP 21 2.873 9.307 1.076 173 2HB ASP 21 1HB ASP 21 1.208 8.914 1.508 174 H GLU 22 H GLU 22 0.248 6.565 1.210 175 HA GLU 22 HA GLU 22 -0.853 6.122 3.821 176 1HB GLU 22 2HB GLU 22 -1.690 5.398 1.041 177 2HB GLU 22 1HB GLU 22 -2.602 4.859 2.453 178 1HG GLU 22 2HG GLU 22 -3.547 6.954 1.601 179 2HG GLU 22 1HG GLU 22 -2.817 7.221 3.183 180 H PHE 23 H PHE 23 0.597 4.060 1.362 181 HA PHE 23 HA PHE 23 0.113 1.596 2.742 182 1HB PHE 23 2HB PHE 23 0.414 1.719 0.321 183 2HB PHE 23 1HB PHE 23 2.047 2.272 0.581 184 HD1 PHE 23 1HD PHE 23 3.782 0.731 0.655 185 HD2 PHE 23 2HD PHE 23 -0.216 -0.545 1.510 186 HE1 PHE 23 1HE PHE 23 4.575 -1.615 0.813 187 HE2 PHE 23 2HE PHE 23 0.565 -2.891 1.672 188 HZ PHE 23 HZ PHE 23 2.961 -3.430 1.324 189 H ARG 24 H ARG 24 2.605 4.103 2.894 190 HA ARG 24 HA ARG 24 4.553 2.375 4.264 191 1HB ARG 24 2HB ARG 24 5.095 4.482 2.848 192 2HB ARG 24 1HB ARG 24 4.614 5.390 4.277 193 1HG ARG 24 2HG ARG 24 6.247 3.649 5.472 194 2HG ARG 24 1HG ARG 24 6.960 3.579 3.864 195 1HD ARG 24 2HD ARG 24 8.062 5.309 5.230 196 2HD ARG 24 1HD ARG 24 7.214 6.028 3.865 197 HE ARG 24 HE ARG 24 5.351 6.113 5.909 198 1HH1 ARG 24 1HH2 ARG 24 8.624 7.100 5.466 199 2HH1 ARG 24 2HH2 ARG 24 8.506 8.445 6.550 200 1HH2 ARG 24 1HH1 ARG 24 5.178 7.865 7.329 201 2HH2 ARG 24 2HH1 ARG 24 6.555 8.879 7.606 202 H GLU 25 H GLU 25 1.988 4.554 5.007 203 HA GLU 25 HA GLU 25 2.574 4.689 7.899 204 1HB GLU 25 2HB GLU 25 0.190 5.444 6.186 205 2HB GLU 25 1HB GLU 25 0.054 5.403 7.945 206 1HG GLU 25 2HG GLU 25 2.334 6.894 6.666 207 2HG GLU 25 1HG GLU 25 0.740 7.646 6.758 208 H VAL 26 H VAL 26 0.746 2.935 5.591 209 HA VAL 26 HA VAL 26 -0.754 1.108 7.194 210 HB VAL 26 HB VAL 26 0.200 1.515 4.450 211 1HG1 VAL 26 1HG1 VAL 26 -0.438 -1.243 5.413 212 2HG1 VAL 26 2HG1 VAL 26 0.943 -0.707 4.453 213 3HG1 VAL 26 3HG1 VAL 26 -0.664 -0.766 3.732 214 1HG2 VAL 26 1HG2 VAL 26 -2.126 0.838 3.911 215 2HG2 VAL 26 2HG2 VAL 26 -1.966 2.251 4.958 216 3HG2 VAL 26 3HG2 VAL 26 -2.380 0.686 5.648 217 H ALA 27 H ALA 27 2.355 0.980 5.587 218 HA ALA 27 HA ALA 27 2.968 -1.691 6.435 219 1HB ALA 27 1HB ALA 27 3.803 -0.606 4.319 220 2HB ALA 27 2HB ALA 27 5.074 -1.353 5.287 221 3HB ALA 27 3HB ALA 27 4.854 0.396 5.318 222 H LEU 28 H LEU 28 3.836 1.532 7.456 223 HA LEU 28 HA LEU 28 5.756 0.652 9.468 224 1HB LEU 28 2HB LEU 28 4.448 3.273 8.789 225 2HB LEU 28 1HB LEU 28 5.319 3.099 10.308 226 HG LEU 28 HG LEU 28 7.383 2.867 9.275 227 1HD1 LEU 28 1HD1 LEU 28 5.870 1.812 6.880 228 2HD1 LEU 28 2HD1 LEU 28 7.077 0.983 7.859 229 3HD1 LEU 28 3HD1 LEU 28 7.562 2.283 6.777 230 1HD2 LEU 28 1HD2 LEU 28 6.682 5.091 8.754 231 2HD2 LEU 28 2HD2 LEU 28 5.666 4.538 7.426 232 3HD2 LEU 28 3HD2 LEU 28 7.421 4.456 7.285 233 H ALA 29 H ALA 29 2.299 1.372 9.380 234 HA ALA 29 HA ALA 29 1.980 1.442 12.249 235 1HB ALA 29 1HB ALA 29 0.031 1.116 9.958 236 2HB ALA 29 2HB ALA 29 0.433 2.612 10.800 237 3HB ALA 29 3HB ALA 29 -0.447 1.336 11.641 238 H PHE 30 H PHE 30 0.780 -0.943 9.837 239 HA PHE 30 HA PHE 30 0.306 -2.866 12.004 240 1HB PHE 30 2HB PHE 30 -1.063 -2.405 9.766 241 2HB PHE 30 1HB PHE 30 0.033 -3.632 9.123 242 HD1 PHE 30 1HD PHE 30 -2.253 -2.962 12.017 243 HD2 PHE 30 2HD PHE 30 -0.431 -5.908 9.477 244 HE1 PHE 30 1HE PHE 30 -3.613 -4.732 13.096 245 HE2 PHE 30 2HE PHE 30 -1.792 -7.679 10.554 246 HZ PHE 30 HZ PHE 30 -3.382 -7.091 12.365 247 H SER 31 H SER 31 2.411 -2.749 9.112 248 HA SER 31 HA SER 31 3.922 -5.070 10.264 249 1HB SER 31 2HB SER 31 3.402 -4.153 7.451 250 2HB SER 31 1HB SER 31 4.823 -5.131 7.810 251 HG SER 31 HG SER 31 2.259 -5.880 7.563 252 HA PRO 32 HA PRO 32 6.467 -1.114 10.598 253 1HB PRO 32 2HB PRO 32 7.618 -1.952 13.011 254 2HB PRO 32 1HB PRO 32 6.234 -0.850 12.853 255 1HG PRO 32 2HG PRO 32 6.279 -3.761 13.450 256 2HG PRO 32 1HG PRO 32 5.195 -2.495 14.058 257 1HD PRO 32 2HD PRO 32 4.408 -4.251 12.160 258 2HD PRO 32 1HD PRO 32 3.829 -2.570 12.173 259 H TYR 33 H TYR 33 7.156 -4.550 10.617 260 HA TYR 33 HA TYR 33 10.034 -4.246 10.582 261 1HB TYR 33 2HB TYR 33 8.500 -6.597 9.465 262 2HB TYR 33 1HB TYR 33 10.100 -6.584 10.214 263 HD1 TYR 33 1HD TYR 33 6.853 -7.580 10.788 264 HD2 TYR 33 2HD TYR 33 9.975 -5.315 12.681 265 HE1 TYR 33 1HE TYR 33 5.828 -8.017 13.003 266 HE2 TYR 33 2HE TYR 33 8.948 -5.752 14.895 267 HH TYR 33 HH TYR 33 7.068 -8.005 15.637 268 H PHE 34 H PHE 34 7.600 -3.641 8.250 269 HA PHE 34 HA PHE 34 9.058 -4.460 5.896 270 1HB PHE 34 2HB PHE 34 6.648 -2.813 6.415 271 2HB PHE 34 1HB PHE 34 7.618 -2.228 5.093 272 HD1 PHE 34 1HD PHE 34 8.645 -4.392 3.651 273 HD2 PHE 34 2HD PHE 34 4.881 -4.144 5.702 274 HE1 PHE 34 1HE PHE 34 7.723 -6.158 2.175 275 HE2 PHE 34 2HE PHE 34 3.959 -5.912 4.230 276 HZ PHE 34 HZ PHE 34 5.378 -6.919 2.466 277 H THR 35 H THR 35 10.848 -3.673 5.133 278 HA THR 35 HA THR 35 11.949 -1.254 6.309 279 HB THR 35 HB THR 35 13.480 -2.003 4.045 280 HG1 THR 35 1HG THR 35 12.007 -3.955 4.429 281 1HG2 THR 35 1HG2 THR 35 14.273 -1.155 6.186 282 2HG2 THR 35 2HG2 THR 35 15.037 -2.703 5.820 283 3HG2 THR 35 3HG2 THR 35 13.717 -2.623 6.988 284 H GLN 36 H GLN 36 12.160 0.695 5.350 285 HA GLN 36 HA GLN 36 10.197 1.590 3.592 286 1HB GLN 36 2HB GLN 36 11.804 2.895 5.091 287 2HB GLN 36 1HB GLN 36 12.974 2.751 3.779 288 1HG GLN 36 2HG GLN 36 11.589 4.880 3.756 289 2HG GLN 36 1HG GLN 36 11.569 3.964 2.259 290 1HE2 GLN 36 1HE2 GLN 36 9.468 4.566 1.544 291 2HE2 GLN 36 2HE2 GLN 36 8.056 4.172 2.393 292 H GLU 37 H GLU 37 13.272 0.123 2.923 293 HA GLU 37 HA GLU 37 13.331 0.847 0.093 294 1HB GLU 37 2HB GLU 37 14.779 -1.354 1.614 295 2HB GLU 37 1HB GLU 37 15.115 -0.898 -0.057 296 1HG GLU 37 2HG GLU 37 15.689 1.382 0.660 297 2HG GLU 37 1HG GLU 37 15.320 0.959 2.333 298 H ASP 38 H ASP 38 12.183 -1.956 1.960 299 HA ASP 38 HA ASP 38 11.498 -3.504 -0.401 300 1HB ASP 38 2HB ASP 38 10.547 -3.716 2.471 301 2HB ASP 38 1HB ASP 38 10.210 -4.907 1.212 302 H ILE 39 H ILE 39 9.817 -1.218 1.696 303 HA ILE 39 HA ILE 39 7.193 -1.642 0.538 304 HB ILE 39 HB ILE 39 8.215 0.859 1.903 305 1HG1 ILE 39 2HG1 ILE 39 6.766 -1.327 3.353 306 2HG1 ILE 39 1HG1 ILE 39 8.500 -1.500 3.077 307 1HG2 ILE 39 1HG2 ILE 39 5.482 -0.097 2.405 308 2HG2 ILE 39 2HG2 ILE 39 5.789 0.293 0.717 309 3HG2 ILE 39 3HG2 ILE 39 6.045 1.515 1.962 310 1HD1 ILE 39 1HD1 ILE 39 7.924 1.192 4.013 311 2HD1 ILE 39 2HD1 ILE 39 8.940 -0.036 4.762 312 3HD1 ILE 39 3HD1 ILE 39 7.216 0.015 5.116 313 H VAL 40 H VAL 40 9.742 0.775 0.076 314 HA VAL 40 HA VAL 40 8.307 2.160 -2.020 315 HB VAL 40 HB VAL 40 10.399 3.381 -2.289 316 1HG1 VAL 40 1HG1 VAL 40 9.392 2.804 0.483 317 2HG1 VAL 40 2HG1 VAL 40 8.943 4.137 -0.580 318 3HG1 VAL 40 3HG1 VAL 40 10.548 4.094 0.151 319 1HG2 VAL 40 1HG2 VAL 40 12.107 2.615 -0.381 320 2HG2 VAL 40 2HG2 VAL 40 12.206 2.032 -2.041 321 3HG2 VAL 40 3HG2 VAL 40 11.419 1.048 -0.812 322 H LYS 41 H LYS 41 10.902 -0.313 -1.968 323 HA LYS 41 HA LYS 41 11.346 -0.244 -4.792 324 1HB LYS 41 2HB LYS 41 12.735 -1.573 -3.141 325 2HB LYS 41 1HB LYS 41 11.384 -2.702 -2.991 326 1HG LYS 41 2HG LYS 41 12.629 -3.755 -4.646 327 2HG LYS 41 1HG LYS 41 11.568 -2.761 -5.642 328 1HD LYS 41 2HD LYS 41 13.352 -0.983 -5.643 329 2HD LYS 41 1HD LYS 41 14.416 -2.126 -4.824 330 1HE LYS 41 2HE LYS 41 13.950 -3.738 -6.746 331 2HE LYS 41 1HE LYS 41 13.206 -2.378 -7.584 332 1HZ LYS 41 1HZ LYS 41 15.211 -1.715 -8.195 333 2HZ LYS 41 2HZ LYS 41 15.929 -3.004 -7.353 334 3HZ LYS 41 3HZ LYS 41 15.659 -1.520 -6.571 335 H PHE 42 H PHE 42 9.284 -2.373 -2.813 336 HA PHE 42 HA PHE 42 7.837 -3.493 -4.970 337 1HB PHE 42 2HB PHE 42 7.972 -4.215 -2.492 338 2HB PHE 42 1HB PHE 42 6.652 -3.071 -2.217 339 HD1 PHE 42 1HD PHE 42 7.649 -5.762 -4.651 340 HD2 PHE 42 2HD PHE 42 4.464 -3.908 -2.443 341 HE1 PHE 42 1HE PHE 42 6.057 -7.439 -5.544 342 HE2 PHE 42 2HE PHE 42 2.881 -5.597 -3.328 343 HZ PHE 42 HZ PHE 42 3.669 -7.355 -4.884 344 H PHE 43 H PHE 43 6.987 -0.650 -2.906 345 HA PHE 43 HA PHE 43 4.465 -0.163 -4.200 346 1HB PHE 43 2HB PHE 43 5.002 0.890 -2.095 347 2HB PHE 43 1HB PHE 43 6.418 1.666 -2.798 348 HD1 PHE 43 1HD PHE 43 6.046 3.360 -4.713 349 HD2 PHE 43 2HD PHE 43 2.908 1.944 -2.162 350 HE1 PHE 43 1HE PHE 43 4.677 5.330 -5.276 351 HE2 PHE 43 2HE PHE 43 1.563 3.935 -2.725 352 HZ PHE 43 HZ PHE 43 2.436 5.620 -4.301 353 H GLU 44 H GLU 44 7.659 1.216 -4.661 354 HA GLU 44 HA GLU 44 7.091 2.847 -6.940 355 1HB GLU 44 2HB GLU 44 9.640 1.323 -6.289 356 2HB GLU 44 1HB GLU 44 9.509 2.580 -7.515 357 1HG GLU 44 2HG GLU 44 8.573 3.222 -4.741 358 2HG GLU 44 1HG GLU 44 10.312 3.168 -5.044 359 H GLU 45 H GLU 45 7.820 -0.584 -6.600 360 HA GLU 45 HA GLU 45 7.850 -1.177 -9.435 361 1HB GLU 45 2HB GLU 45 8.799 -2.479 -7.313 362 2HB GLU 45 1HB GLU 45 7.203 -3.239 -7.366 363 1HG GLU 45 2HG GLU 45 9.192 -3.077 -9.642 364 2HG GLU 45 1HG GLU 45 8.843 -4.523 -8.693 365 H ILE 46 H ILE 46 5.425 -1.266 -6.857 366 HA ILE 46 HA ILE 46 3.493 -2.596 -8.624 367 HB ILE 46 HB ILE 46 3.807 -2.618 -5.914 368 1HG1 ILE 46 2HG1 ILE 46 1.332 -3.452 -5.961 369 2HG1 ILE 46 1HG1 ILE 46 1.445 -3.165 -7.698 370 1HG2 ILE 46 1HG2 ILE 46 1.403 -0.883 -6.377 371 2HG2 ILE 46 2HG2 ILE 46 2.967 -0.229 -5.887 372 3HG2 ILE 46 3HG2 ILE 46 2.116 -1.364 -4.840 373 1HD1 ILE 46 1HD1 ILE 46 2.792 -5.227 -6.026 374 2HD1 ILE 46 2HD1 ILE 46 3.742 -4.538 -7.342 375 3HD1 ILE 46 3HD1 ILE 46 2.205 -5.332 -7.684 376 H ASP 47 H ASP 47 4.148 0.669 -7.420 377 HA ASP 47 HA ASP 47 1.680 1.815 -8.413 378 1HB ASP 47 2HB ASP 47 4.413 2.970 -7.789 379 2HB ASP 47 1HB ASP 47 3.084 3.962 -8.397 380 H VAL 48 H VAL 48 1.659 0.583 -10.516 381 HA VAL 48 HA VAL 48 3.767 1.034 -12.447 382 HB VAL 48 HB VAL 48 2.398 -0.994 -12.386 383 1HG1 VAL 48 1HG1 VAL 48 0.018 0.478 -13.430 384 2HG1 VAL 48 2HG1 VAL 48 0.320 0.553 -11.699 385 3HG1 VAL 48 3HG1 VAL 48 0.088 -1.009 -12.487 386 1HG2 VAL 48 1HG2 VAL 48 2.023 -1.167 -14.728 387 2HG2 VAL 48 2HG2 VAL 48 3.272 0.070 -14.585 388 3HG2 VAL 48 3HG2 VAL 48 1.594 0.539 -14.861 389 H ASP 49 H ASP 49 0.717 2.571 -11.749 390 HA ASP 49 HA ASP 49 0.477 3.741 -14.394 391 1HB ASP 49 2HB ASP 49 -1.629 3.812 -13.625 392 2HB ASP 49 1HB ASP 49 -1.092 3.557 -11.967 393 H GLY 50 H GLY 50 2.286 4.449 -11.609 394 1HA GLY 50 2HA GLY 50 3.854 6.070 -11.293 395 2HA GLY 50 1HA GLY 50 3.506 6.696 -12.900 396 H ASN 51 H ASN 51 0.694 6.501 -10.947 397 HA ASN 51 HA ASN 51 0.557 9.414 -10.829 398 1HB ASN 51 2HB ASN 51 -1.513 8.149 -11.165 399 2HB ASN 51 1HB ASN 51 -1.247 7.269 -9.655 400 1HD2 ASN 51 1HD2 ASN 51 -3.219 8.134 -8.678 401 2HD2 ASN 51 2HD2 ASN 51 -3.326 9.759 -8.197 402 H GLY 52 H GLY 52 2.204 7.159 -9.141 403 1HA GLY 52 2HA GLY 52 3.464 7.398 -7.167 404 2HA GLY 52 1HA GLY 52 2.699 8.968 -6.928 405 H GLU 53 H GLU 53 0.630 6.252 -7.513 406 HA GLU 53 HA GLU 53 0.169 5.847 -4.615 407 1HB GLU 53 2HB GLU 53 -2.299 6.225 -6.222 408 2HB GLU 53 1HB GLU 53 -1.984 6.706 -4.560 409 1HG GLU 53 2HG GLU 53 -0.550 8.563 -5.396 410 2HG GLU 53 1HG GLU 53 -0.960 8.106 -7.050 411 H LEU 54 H LEU 54 -1.115 3.976 -4.112 412 HA LEU 54 HA LEU 54 -0.655 1.806 -5.998 413 1HB LEU 54 2HB LEU 54 -2.115 2.005 -3.359 414 2HB LEU 54 1HB LEU 54 -1.874 0.538 -4.208 415 HG LEU 54 HG LEU 54 -0.040 0.345 -2.937 416 1HD1 LEU 54 1HD1 LEU 54 0.826 0.853 -5.289 417 2HD1 LEU 54 2HD1 LEU 54 1.975 1.069 -3.987 418 3HD1 LEU 54 3HD1 LEU 54 1.170 2.467 -4.694 419 1HD2 LEU 54 1HD2 LEU 54 0.983 2.287 -1.841 420 2HD2 LEU 54 2HD2 LEU 54 -0.743 2.182 -1.581 421 3HD2 LEU 54 3HD2 LEU 54 -0.106 3.328 -2.751 422 H ASN 55 H ASN 55 -1.974 1.484 -7.624 423 HA ASN 55 HA ASN 55 -4.679 2.593 -7.656 424 1HB ASN 55 2HB ASN 55 -4.570 0.764 -9.764 425 2HB ASN 55 1HB ASN 55 -4.253 2.492 -9.874 426 1HD2 ASN 55 1HD2 ASN 55 -2.953 -0.231 -10.946 427 2HD2 ASN 55 2HD2 ASN 55 -1.301 0.099 -10.793 428 H ALA 56 H ALA 56 -6.451 0.915 -8.478 429 HA ALA 56 HA ALA 56 -6.982 -0.767 -6.246 430 1HB ALA 56 1HB ALA 56 -8.606 0.292 -7.919 431 2HB ALA 56 2HB ALA 56 -8.977 -1.337 -7.355 432 3HB ALA 56 3HB ALA 56 -8.261 -1.096 -8.950 433 H ASP 57 H ASP 57 -6.296 -1.863 -9.645 434 HA ASP 57 HA ASP 57 -6.046 -4.595 -8.964 435 1HB ASP 57 2HB ASP 57 -6.210 -3.715 -11.290 436 2HB ASP 57 1HB ASP 57 -4.559 -3.108 -11.149 437 H GLU 58 H GLU 58 -3.485 -2.095 -9.199 438 HA GLU 58 HA GLU 58 -1.387 -3.889 -8.399 439 1HB GLU 58 2HB GLU 58 -1.646 -0.873 -8.393 440 2HB GLU 58 1HB GLU 58 -0.193 -1.686 -7.830 441 1HG GLU 58 2HG GLU 58 -1.421 -2.037 -10.580 442 2HG GLU 58 1HG GLU 58 -0.037 -1.015 -10.211 443 H PHE 59 H PHE 59 -3.776 -1.968 -6.746 444 HA PHE 59 HA PHE 59 -2.750 -1.809 -4.133 445 1HB PHE 59 2HB PHE 59 -5.192 -1.383 -5.438 446 2HB PHE 59 1HB PHE 59 -5.562 -2.585 -4.235 447 HD1 PHE 59 1HD PHE 59 -5.204 0.869 -4.848 448 HD2 PHE 59 2HD PHE 59 -4.647 -2.135 -1.833 449 HE1 PHE 59 1HE PHE 59 -5.344 2.604 -3.097 450 HE2 PHE 59 2HE PHE 59 -4.790 -0.374 -0.092 451 HZ PHE 59 HZ PHE 59 -5.115 1.936 -0.728 452 H THR 60 H THR 60 -4.590 -4.444 -5.695 453 HA THR 60 HA THR 60 -4.561 -6.154 -3.370 454 HB THR 60 HB THR 60 -5.251 -7.921 -4.952 455 HG1 THR 60 1HG THR 60 -4.243 -7.613 -6.806 456 1HG2 THR 60 1HG2 THR 60 -6.878 -6.268 -4.100 457 2HG2 THR 60 2HG2 THR 60 -7.292 -6.803 -5.727 458 3HG2 THR 60 3HG2 THR 60 -6.533 -5.230 -5.482 459 H SER 61 H SER 61 -2.564 -5.949 -6.301 460 HA SER 61 HA SER 61 -0.774 -8.063 -5.472 461 1HB SER 61 2HB SER 61 -1.045 -7.086 -7.836 462 2HB SER 61 1HB SER 61 -0.055 -5.741 -7.274 463 HG SER 61 HG SER 61 0.626 -8.351 -7.856 464 H CYS 62 H CYS 62 -1.271 -4.795 -4.522 465 HA CYS 62 HA CYS 62 1.433 -4.199 -3.626 466 1HB CYS 62 2HB CYS 62 -0.498 -2.509 -3.934 467 2HB CYS 62 1HB CYS 62 -1.106 -3.113 -2.393 468 HG CYS 62 HG CYS 62 1.767 -1.898 -2.635 469 H ILE 63 H ILE 63 -1.465 -5.705 -2.389 470 HA ILE 63 HA ILE 63 -0.246 -6.240 0.219 471 HB ILE 63 HB ILE 63 -2.775 -7.443 -0.931 472 1HG1 ILE 63 2HG1 ILE 63 -3.129 -5.100 -1.095 473 2HG1 ILE 63 1HG1 ILE 63 -3.844 -5.545 0.449 474 1HG2 ILE 63 1HG2 ILE 63 -3.304 -8.010 1.281 475 2HG2 ILE 63 2HG2 ILE 63 -2.205 -6.807 1.956 476 3HG2 ILE 63 3HG2 ILE 63 -1.563 -8.285 1.241 477 1HD1 ILE 63 1HD1 ILE 63 -1.571 -4.967 1.488 478 2HD1 ILE 63 2HD1 ILE 63 -2.551 -3.616 0.922 479 3HD1 ILE 63 3HD1 ILE 63 -1.197 -4.190 -0.052 480 H GLU 64 H GLU 64 -0.761 -8.008 -2.908 481 HA GLU 64 HA GLU 64 -0.239 -10.576 -2.052 482 1HB GLU 64 2HB GLU 64 -0.655 -10.017 -4.407 483 2HB GLU 64 1HB GLU 64 0.892 -9.169 -4.490 484 1HG GLU 64 2HG GLU 64 2.122 -11.195 -4.163 485 2HG GLU 64 1HG GLU 64 0.665 -12.086 -3.722 486 H LYS 65 H LYS 65 1.910 -7.755 -2.035 487 HA LYS 65 HA LYS 65 4.446 -8.995 -1.922 488 1HB LYS 65 2HB LYS 65 3.328 -6.532 -1.185 489 2HB LYS 65 1HB LYS 65 4.000 -7.156 0.316 490 1HG LYS 65 2HG LYS 65 5.539 -7.015 -2.280 491 2HG LYS 65 1HG LYS 65 5.569 -5.789 -1.025 492 1HD LYS 65 2HD LYS 65 6.554 -7.266 0.553 493 2HD LYS 65 1HD LYS 65 6.206 -8.671 -0.453 494 1HE LYS 65 2HE LYS 65 7.808 -7.928 -2.128 495 2HE LYS 65 1HE LYS 65 8.090 -6.424 -1.248 496 1HZ LYS 65 1HZ LYS 65 8.653 -9.155 -0.216 497 2HZ LYS 65 2HZ LYS 65 8.953 -7.695 0.602 498 3HZ LYS 65 3HZ LYS 65 9.815 -8.072 -0.813 499 H MET 66 H MET 66 1.732 -9.233 0.077 500 HA MET 66 HA MET 66 2.839 -11.420 1.653 501 1HB MET 66 2HB MET 66 2.243 -10.454 3.807 502 2HB MET 66 1HB MET 66 3.325 -9.323 2.994 503 1HG MET 66 2HG MET 66 1.169 -8.213 2.091 504 2HG MET 66 1HG MET 66 0.335 -9.131 3.346 505 1HE MET 66 1HE MET 66 3.014 -9.078 5.531 506 2HE MET 66 2HE MET 66 1.278 -9.348 5.670 507 3HE MET 66 3HE MET 66 2.037 -8.050 6.590 508 H LEU 67 H LEU 67 0.623 -11.670 3.345 509 HA LEU 67 HA LEU 67 -1.520 -12.601 3.266 510 1HB LEU 67 2HB LEU 67 -1.793 -9.986 2.904 511 2HB LEU 67 1HB LEU 67 -2.286 -10.475 1.286 512 HG LEU 67 HG LEU 67 -4.273 -10.325 2.663 513 1HD1 LEU 67 1HD1 LEU 67 -3.946 -12.290 1.055 514 2HD1 LEU 67 2HD1 LEU 67 -5.185 -12.492 2.293 515 3HD1 LEU 67 3HD1 LEU 67 -3.615 -13.271 2.484 516 1HD2 LEU 67 1HD2 LEU 67 -2.713 -10.888 4.794 517 2HD2 LEU 67 2HD2 LEU 67 -3.402 -12.490 4.528 518 3HD2 LEU 67 3HD2 LEU 67 -4.460 -11.112 4.817 Start of MODEL 19 1 HA SER 1 HA SER 1 -8.608 -11.976 0.573 2 1HB SER 1 2HB SER 1 -6.027 -10.508 -0.028 3 2HB SER 1 1HB SER 1 -6.395 -11.459 1.407 4 HG SER 1 HG SER 1 -5.331 -12.293 -0.842 5 H SER 2 H SER 2 -7.929 -10.297 2.472 6 HA SER 2 HA SER 2 -9.769 -8.083 2.185 7 1HB SER 2 2HB SER 2 -7.971 -7.706 4.414 8 2HB SER 2 1HB SER 2 -9.675 -8.159 4.439 9 HG SER 2 HG SER 2 -8.674 -10.325 3.738 10 H ALA 3 H ALA 3 -7.671 -7.980 0.192 11 HA ALA 3 HA ALA 3 -5.753 -5.969 1.064 12 1HB ALA 3 1HB ALA 3 -6.478 -6.945 -1.707 13 2HB ALA 3 2HB ALA 3 -5.135 -7.520 -0.717 14 3HB ALA 3 3HB ALA 3 -5.135 -5.866 -1.331 15 H LYS 4 H LYS 4 -8.821 -6.004 -0.676 16 HA LYS 4 HA LYS 4 -8.688 -3.140 -1.264 17 1HB LYS 4 2HB LYS 4 -10.036 -4.303 -2.808 18 2HB LYS 4 1HB LYS 4 -10.766 -5.305 -1.563 19 1HG LYS 4 2HG LYS 4 -12.391 -3.654 -2.371 20 2HG LYS 4 1HG LYS 4 -11.979 -3.313 -0.699 21 1HD LYS 4 2HD LYS 4 -11.987 -1.235 -1.986 22 2HD LYS 4 1HD LYS 4 -10.346 -1.603 -1.461 23 1HE LYS 4 2HE LYS 4 -10.774 -0.902 -3.954 24 2HE LYS 4 1HE LYS 4 -9.658 -2.219 -3.606 25 1HZ LYS 4 1HZ LYS 4 -11.486 -2.552 -5.368 26 2HZ LYS 4 2HZ LYS 4 -12.515 -2.779 -4.035 27 3HZ LYS 4 3HZ LYS 4 -11.177 -3.799 -4.262 28 H ARG 5 H ARG 5 -10.000 -5.297 1.171 29 HA ARG 5 HA ARG 5 -11.585 -3.412 2.633 30 1HB ARG 5 2HB ARG 5 -11.491 -5.962 2.907 31 2HB ARG 5 1HB ARG 5 -10.001 -5.697 3.823 32 1HG ARG 5 2HG ARG 5 -11.345 -4.060 5.259 33 2HG ARG 5 1HG ARG 5 -12.787 -4.715 4.485 34 1HD ARG 5 2HD ARG 5 -12.319 -6.929 5.313 35 2HD ARG 5 1HD ARG 5 -10.731 -6.432 5.898 36 HE ARG 5 HE ARG 5 -12.482 -4.758 7.240 37 1HH1 ARG 5 1HH2 ARG 5 -12.149 -8.155 6.754 38 2HH1 ARG 5 2HH2 ARG 5 -12.834 -8.576 8.286 39 1HH2 ARG 5 1HH1 ARG 5 -13.378 -5.288 9.245 40 2HH2 ARG 5 2HH1 ARG 5 -13.531 -6.954 9.698 41 H VAL 6 H VAL 6 -8.231 -4.551 3.142 42 HA VAL 6 HA VAL 6 -7.643 -2.795 5.297 43 HB VAL 6 HB VAL 6 -6.280 -4.799 4.015 44 1HG1 VAL 6 1HG1 VAL 6 -4.818 -2.267 3.282 45 2HG1 VAL 6 2HG1 VAL 6 -5.692 -3.295 2.146 46 3HG1 VAL 6 3HG1 VAL 6 -4.285 -3.922 3.003 47 1HG2 VAL 6 1HG2 VAL 6 -5.760 -4.298 6.265 48 2HG2 VAL 6 2HG2 VAL 6 -5.340 -2.629 5.884 49 3HG2 VAL 6 3HG2 VAL 6 -4.265 -3.940 5.400 50 H PHE 7 H PHE 7 -7.455 -2.416 1.827 51 HA PHE 7 HA PHE 7 -6.207 0.169 1.804 52 1HB PHE 7 2HB PHE 7 -6.286 -1.002 -0.275 53 2HB PHE 7 1HB PHE 7 -8.033 -1.203 -0.176 54 HD1 PHE 7 1HD PHE 7 -6.963 2.092 0.907 55 HD2 PHE 7 2HD PHE 7 -7.858 -0.255 -2.576 56 HE1 PHE 7 1HE PHE 7 -7.356 4.142 -0.374 57 HE2 PHE 7 2HE PHE 7 -8.194 1.828 -3.850 58 HZ PHE 7 HZ PHE 7 -7.987 4.022 -2.734 59 H GLU 8 H GLU 8 -9.725 -0.698 1.695 60 HA GLU 8 HA GLU 8 -10.690 1.941 1.663 61 1HB GLU 8 2HB GLU 8 -12.746 1.035 2.150 62 2HB GLU 8 1HB GLU 8 -11.904 -0.470 1.811 63 1HG GLU 8 2HG GLU 8 -12.998 -0.864 3.865 64 2HG GLU 8 1HG GLU 8 -11.335 -0.507 4.323 65 H LYS 9 H LYS 9 -9.497 0.028 4.384 66 HA LYS 9 HA LYS 9 -10.100 1.870 6.466 67 1HB LYS 9 2HB LYS 9 -8.457 -0.499 6.136 68 2HB LYS 9 1HB LYS 9 -7.613 0.691 7.124 69 1HG LYS 9 2HG LYS 9 -9.002 -0.781 8.530 70 2HG LYS 9 1HG LYS 9 -9.589 0.885 8.589 71 1HD LYS 9 2HD LYS 9 -11.623 0.042 8.039 72 2HD LYS 9 1HD LYS 9 -10.967 -0.198 6.421 73 1HE LYS 9 2HE LYS 9 -11.086 -2.204 8.683 74 2HE LYS 9 1HE LYS 9 -11.859 -2.313 7.102 75 1HZ LYS 9 1HZ LYS 9 -10.047 -3.534 6.633 76 2HZ LYS 9 2HZ LYS 9 -9.105 -2.834 7.861 77 3HZ LYS 9 3HZ LYS 9 -9.321 -2.022 6.384 78 H PHE 10 H PHE 10 -7.245 1.697 4.308 79 HA PHE 10 HA PHE 10 -6.197 4.168 5.562 80 1HB PHE 10 2HB PHE 10 -5.067 2.369 3.449 81 2HB PHE 10 1HB PHE 10 -4.270 3.826 4.043 82 HD1 PHE 10 1HD PHE 10 -5.054 0.345 4.779 83 HD2 PHE 10 2HD PHE 10 -3.716 4.054 6.477 84 HE1 PHE 10 1HE PHE 10 -4.238 -0.864 6.785 85 HE2 PHE 10 2HE PHE 10 -2.893 2.845 8.478 86 HZ PHE 10 HZ PHE 10 -3.156 0.384 8.631 87 H ASP 11 H ASP 11 -8.255 3.409 2.901 88 HA ASP 11 HA ASP 11 -7.433 5.337 1.042 89 1HB ASP 11 2HB ASP 11 -9.783 5.508 0.368 90 2HB ASP 11 1HB ASP 11 -9.433 3.824 0.765 91 H LYS 12 H LYS 12 -6.392 6.762 2.450 92 HA LYS 12 HA LYS 12 -7.915 8.522 4.226 93 1HB LYS 12 2HB LYS 12 -5.831 8.630 5.095 94 2HB LYS 12 1HB LYS 12 -5.191 7.789 3.683 95 1HG LYS 12 2HG LYS 12 -5.012 9.910 2.468 96 2HG LYS 12 1HG LYS 12 -5.688 10.768 3.856 97 1HD LYS 12 2HD LYS 12 -3.786 10.466 5.149 98 2HD LYS 12 1HD LYS 12 -3.332 8.987 4.299 99 1HE LYS 12 2HE LYS 12 -1.783 10.807 3.718 100 2HE LYS 12 1HE LYS 12 -2.729 10.343 2.305 101 1HZ LYS 12 1HZ LYS 12 -2.822 12.657 2.346 102 2HZ LYS 12 2HZ LYS 12 -3.048 12.721 4.028 103 3HZ LYS 12 3HZ LYS 12 -4.305 12.182 3.021 104 H ASN 13 H ASN 13 -7.395 8.276 0.939 105 HA ASN 13 HA ASN 13 -7.975 11.152 0.490 106 1HB ASN 13 2HB ASN 13 -5.772 10.489 -0.421 107 2HB ASN 13 1HB ASN 13 -6.542 9.173 -1.319 108 1HD2 ASN 13 1HD2 ASN 13 -8.599 11.833 -1.067 109 2HD2 ASN 13 2HD2 ASN 13 -8.320 12.489 -2.589 110 H LYS 14 H LYS 14 -9.509 8.442 0.876 111 HA LYS 14 HA LYS 14 -11.206 7.187 -0.348 112 1HB LYS 14 2HB LYS 14 -12.312 10.003 -0.483 113 2HB LYS 14 1HB LYS 14 -13.202 8.494 -0.289 114 1HG LYS 14 2HG LYS 14 -11.901 8.178 1.895 115 2HG LYS 14 1HG LYS 14 -11.415 9.865 1.724 116 1HD LYS 14 2HD LYS 14 -13.667 10.634 1.862 117 2HD LYS 14 1HD LYS 14 -14.315 9.010 1.629 118 1HE LYS 14 2HE LYS 14 -12.676 9.891 4.022 119 2HE LYS 14 1HE LYS 14 -14.432 9.722 4.007 120 1HZ LYS 14 1HZ LYS 14 -13.543 7.361 2.997 121 2HZ LYS 14 2HZ LYS 14 -14.061 7.624 4.594 122 3HZ LYS 14 3HZ LYS 14 -12.407 7.704 4.209 123 H ASP 15 H ASP 15 -9.271 7.527 -2.039 124 HA ASP 15 HA ASP 15 -10.434 8.727 -4.520 125 1HB ASP 15 2HB ASP 15 -7.669 8.550 -3.438 126 2HB ASP 15 1HB ASP 15 -7.838 8.382 -5.188 127 H GLY 16 H GLY 16 -9.062 5.661 -3.187 128 1HA GLY 16 2HA GLY 16 -9.662 3.580 -4.227 129 2HA GLY 16 1HA GLY 16 -9.864 4.435 -5.767 130 H LYS 17 H LYS 17 -7.386 5.586 -3.867 131 HA LYS 17 HA LYS 17 -5.301 3.802 -4.824 132 1HB LYS 17 2HB LYS 17 -5.174 6.708 -5.565 133 2HB LYS 17 1HB LYS 17 -4.002 5.441 -5.889 134 1HG LYS 17 2HG LYS 17 -5.065 5.442 -7.937 135 2HG LYS 17 1HG LYS 17 -6.107 4.306 -7.092 136 1HD LYS 17 2HD LYS 17 -7.629 5.837 -8.039 137 2HD LYS 17 1HD LYS 17 -7.460 6.411 -6.377 138 1HE LYS 17 2HE LYS 17 -7.110 8.404 -7.499 139 2HE LYS 17 1HE LYS 17 -5.451 7.807 -7.454 140 1HZ LYS 17 1HZ LYS 17 -7.377 7.722 -9.693 141 2HZ LYS 17 2HZ LYS 17 -6.025 6.693 -9.648 142 3HZ LYS 17 3HZ LYS 17 -5.814 8.379 -9.667 143 H LEU 18 H LEU 18 -3.457 4.010 -3.735 144 HA LEU 18 HA LEU 18 -3.454 5.796 -1.357 145 1HB LEU 18 2HB LEU 18 -2.946 2.989 -1.669 146 2HB LEU 18 1HB LEU 18 -1.701 3.830 -0.828 147 HG LEU 18 HG LEU 18 -3.412 4.865 0.607 148 1HD1 LEU 18 1HD1 LEU 18 -5.604 4.021 0.683 149 2HD1 LEU 18 2HD1 LEU 18 -5.215 2.777 -0.496 150 3HD1 LEU 18 3HD1 LEU 18 -5.287 4.471 -0.993 151 1HD2 LEU 18 1HD2 LEU 18 -3.439 1.873 0.594 152 2HD2 LEU 18 2HD2 LEU 18 -3.563 2.933 1.988 153 3HD2 LEU 18 3HD2 LEU 18 -2.045 2.820 1.103 154 H SER 19 H SER 19 -1.423 6.491 -0.653 155 HA SER 19 HA SER 19 0.546 6.798 -2.861 156 1HB SER 19 2HB SER 19 0.488 8.325 -0.283 157 2HB SER 19 1HB SER 19 1.251 8.792 -1.803 158 HG SER 19 HG SER 19 -0.698 9.290 -2.634 159 H LEU 20 H LEU 20 2.787 6.446 -2.264 160 HA LEU 20 HA LEU 20 3.283 4.178 -0.713 161 1HB LEU 20 2HB LEU 20 4.852 5.418 -2.314 162 2HB LEU 20 1HB LEU 20 5.161 6.537 -0.994 163 HG LEU 20 HG LEU 20 6.670 4.406 -1.440 164 1HD1 LEU 20 1HD1 LEU 20 5.871 5.730 1.098 165 2HD1 LEU 20 2HD1 LEU 20 7.367 5.875 0.185 166 3HD1 LEU 20 3HD1 LEU 20 7.048 4.419 1.125 167 1HD2 LEU 20 1HD2 LEU 20 4.553 2.964 -0.959 168 2HD2 LEU 20 2HD2 LEU 20 4.895 3.317 0.713 169 3HD2 LEU 20 3HD2 LEU 20 6.082 2.474 -0.279 170 H ASP 21 H ASP 21 2.617 7.330 0.044 171 HA ASP 21 HA ASP 21 3.590 7.469 2.753 172 1HB ASP 21 2HB ASP 21 1.130 8.954 1.856 173 2HB ASP 21 1HB ASP 21 2.434 9.498 2.914 174 H GLU 22 H GLU 22 0.329 6.576 1.352 175 HA GLU 22 HA GLU 22 -0.730 5.974 3.955 176 1HB GLU 22 2HB GLU 22 -1.634 5.376 1.158 177 2HB GLU 22 1HB GLU 22 -2.483 4.755 2.571 178 1HG GLU 22 2HG GLU 22 -3.420 6.918 1.745 179 2HG GLU 22 1HG GLU 22 -2.845 6.989 3.410 180 H PHE 23 H PHE 23 0.729 4.054 1.379 181 HA PHE 23 HA PHE 23 0.333 1.516 2.655 182 1HB PHE 23 2HB PHE 23 0.619 1.715 0.244 183 2HB PHE 23 1HB PHE 23 2.221 2.358 0.510 184 HD1 PHE 23 1HD PHE 23 0.301 -0.576 1.826 185 HD2 PHE 23 2HD PHE 23 3.904 0.858 0.004 186 HE1 PHE 23 1HE PHE 23 1.233 -2.870 1.878 187 HE2 PHE 23 2HE PHE 23 4.847 -1.435 0.054 188 HZ PHE 23 HZ PHE 23 3.509 -3.302 0.991 189 H ARG 24 H ARG 24 2.703 4.101 2.870 190 HA ARG 24 HA ARG 24 4.748 2.454 4.198 191 1HB ARG 24 2HB ARG 24 5.502 4.370 2.905 192 2HB ARG 24 1HB ARG 24 4.454 5.450 3.829 193 1HG ARG 24 2HG ARG 24 5.700 4.958 5.856 194 2HG ARG 24 1HG ARG 24 6.712 3.805 4.995 195 1HD ARG 24 2HD ARG 24 7.918 5.902 5.174 196 2HD ARG 24 1HD ARG 24 7.434 5.669 3.497 197 HE ARG 24 HE ARG 24 5.358 7.149 4.563 198 1HH1 ARG 24 1HH2 ARG 24 8.794 7.406 4.447 199 2HH1 ARG 24 2HH2 ARG 24 8.797 9.137 4.450 200 1HH2 ARG 24 1HH1 ARG 24 5.342 9.408 4.565 201 2HH2 ARG 24 2HH1 ARG 24 6.844 10.272 4.517 202 H GLU 25 H GLU 25 2.096 4.514 4.963 203 HA GLU 25 HA GLU 25 2.631 4.607 7.868 204 1HB GLU 25 2HB GLU 25 0.369 5.464 6.072 205 2HB GLU 25 1HB GLU 25 0.020 5.208 7.781 206 1HG GLU 25 2HG GLU 25 0.651 7.571 7.269 207 2HG GLU 25 1HG GLU 25 1.749 6.805 8.418 208 H VAL 26 H VAL 26 0.763 2.908 5.525 209 HA VAL 26 HA VAL 26 -0.735 1.038 7.047 210 HB VAL 26 HB VAL 26 0.407 1.387 4.352 211 1HG1 VAL 26 1HG1 VAL 26 0.984 -0.830 4.320 212 2HG1 VAL 26 2HG1 VAL 26 -0.668 -0.883 3.707 213 3HG1 VAL 26 3HG1 VAL 26 -0.343 -1.290 5.388 214 1HG2 VAL 26 1HG2 VAL 26 -1.899 2.105 5.204 215 2HG2 VAL 26 2HG2 VAL 26 -2.325 0.416 4.934 216 3HG2 VAL 26 3HG2 VAL 26 -1.761 1.407 3.592 217 H ALA 27 H ALA 27 2.356 0.843 5.435 218 HA ALA 27 HA ALA 27 3.006 -1.788 6.288 219 1HB ALA 27 1HB ALA 27 4.799 0.396 5.203 220 2HB ALA 27 2HB ALA 27 3.881 -0.744 4.222 221 3HB ALA 27 3HB ALA 27 5.187 -1.321 5.252 222 H LEU 28 H LEU 28 4.007 1.403 7.336 223 HA LEU 28 HA LEU 28 5.822 0.425 9.396 224 1HB LEU 28 2HB LEU 28 4.623 3.101 8.750 225 2HB LEU 28 1HB LEU 28 5.484 2.864 10.266 226 HG LEU 28 HG LEU 28 7.534 2.487 9.215 227 1HD1 LEU 28 1HD1 LEU 28 7.634 2.083 6.667 228 2HD1 LEU 28 2HD1 LEU 28 5.916 1.723 6.780 229 3HD1 LEU 28 3HD1 LEU 28 7.082 0.745 7.670 230 1HD2 LEU 28 1HD2 LEU 28 7.435 4.165 7.124 231 2HD2 LEU 28 2HD2 LEU 28 7.334 4.734 8.787 232 3HD2 LEU 28 3HD2 LEU 28 5.868 4.539 7.837 233 H ALA 29 H ALA 29 2.386 1.235 9.272 234 HA ALA 29 HA ALA 29 2.050 1.329 12.139 235 1HB ALA 29 1HB ALA 29 0.111 1.033 9.835 236 2HB ALA 29 2HB ALA 29 0.540 2.526 10.675 237 3HB ALA 29 3HB ALA 29 -0.375 1.272 11.514 238 H PHE 30 H PHE 30 0.813 -1.051 9.735 239 HA PHE 30 HA PHE 30 0.326 -2.945 11.938 240 1HB PHE 30 2HB PHE 30 -1.043 -2.412 9.653 241 2HB PHE 30 1HB PHE 30 -0.110 -3.818 9.134 242 HD1 PHE 30 1HD PHE 30 -0.511 -6.010 10.073 243 HD2 PHE 30 2HD PHE 30 -2.600 -2.569 11.571 244 HE1 PHE 30 1HE PHE 30 -2.068 -7.493 11.310 245 HE2 PHE 30 2HE PHE 30 -4.157 -4.051 12.807 246 HZ PHE 30 HZ PHE 30 -3.892 -6.514 12.677 247 H SER 31 H SER 31 2.281 -2.936 8.936 248 HA SER 31 HA SER 31 3.754 -5.305 10.030 249 1HB SER 31 2HB SER 31 3.004 -5.997 7.944 250 2HB SER 31 1HB SER 31 3.093 -4.377 7.261 251 HG SER 31 HG SER 31 5.419 -4.601 7.473 252 HA PRO 32 HA PRO 32 6.500 -1.505 10.314 253 1HB PRO 32 2HB PRO 32 7.723 -2.412 12.653 254 2HB PRO 32 1HB PRO 32 6.345 -1.296 12.588 255 1HG PRO 32 2HG PRO 32 6.385 -4.226 13.095 256 2HG PRO 32 1HG PRO 32 5.361 -2.965 13.808 257 1HD PRO 32 2HD PRO 32 4.434 -4.640 11.899 258 2HD PRO 32 1HD PRO 32 3.886 -2.953 12.009 259 H TYR 33 H TYR 33 7.048 -4.971 10.244 260 HA TYR 33 HA TYR 33 9.913 -4.872 10.149 261 1HB TYR 33 2HB TYR 33 8.321 -6.960 8.680 262 2HB TYR 33 1HB TYR 33 9.795 -7.148 9.638 263 HD1 TYR 33 1HD TYR 33 6.462 -7.976 9.650 264 HD2 TYR 33 2HD TYR 33 9.377 -6.098 12.189 265 HE1 TYR 33 1HE TYR 33 5.102 -8.554 11.641 266 HE2 TYR 33 2HE TYR 33 8.016 -6.676 14.178 267 HH TYR 33 HH TYR 33 5.308 -7.169 14.472 268 H PHE 34 H PHE 34 7.469 -3.960 7.906 269 HA PHE 34 HA PHE 34 8.889 -4.450 5.452 270 1HB PHE 34 2HB PHE 34 6.585 -2.742 6.282 271 2HB PHE 34 1HB PHE 34 7.475 -2.194 4.893 272 HD1 PHE 34 1HD PHE 34 8.214 -4.454 3.351 273 HD2 PHE 34 2HD PHE 34 4.650 -3.850 5.669 274 HE1 PHE 34 1HE PHE 34 7.014 -6.106 1.942 275 HE2 PHE 34 2HE PHE 34 3.452 -5.502 4.262 276 HZ PHE 34 HZ PHE 34 4.632 -6.626 2.396 277 H THR 35 H THR 35 10.982 -3.588 5.178 278 HA THR 35 HA THR 35 11.621 -1.063 6.519 279 HB THR 35 HB THR 35 13.422 -2.741 6.006 280 HG1 THR 35 1HG THR 35 13.856 -0.256 4.785 281 1HG2 THR 35 1HG2 THR 35 12.462 -3.078 3.618 282 2HG2 THR 35 2HG2 THR 35 14.215 -3.053 3.814 283 3HG2 THR 35 3HG2 THR 35 13.370 -1.618 3.232 284 H GLN 36 H GLN 36 12.135 0.808 5.442 285 HA GLN 36 HA GLN 36 10.254 1.775 3.661 286 1HB GLN 36 2HB GLN 36 12.049 2.837 5.167 287 2HB GLN 36 1HB GLN 36 13.099 2.699 3.762 288 1HG GLN 36 2HG GLN 36 11.815 4.916 4.014 289 2HG GLN 36 1HG GLN 36 11.723 4.138 2.445 290 1HE2 GLN 36 1HE2 GLN 36 9.633 4.639 1.743 291 2HE2 GLN 36 2HE2 GLN 36 8.224 4.325 2.628 292 H GLU 37 H GLU 37 13.303 0.190 2.972 293 HA GLU 37 HA GLU 37 13.355 0.892 0.147 294 1HB GLU 37 2HB GLU 37 15.309 0.021 1.639 295 2HB GLU 37 1HB GLU 37 14.670 -1.583 1.282 296 1HG GLU 37 2HG GLU 37 14.836 -1.092 -1.145 297 2HG GLU 37 1HG GLU 37 15.530 0.483 -0.764 298 H ASP 38 H ASP 38 12.116 -1.893 1.983 299 HA ASP 38 HA ASP 38 11.347 -3.374 -0.393 300 1HB ASP 38 2HB ASP 38 10.472 -3.577 2.504 301 2HB ASP 38 1HB ASP 38 9.953 -4.698 1.242 302 H ILE 39 H ILE 39 9.816 -1.005 1.708 303 HA ILE 39 HA ILE 39 7.155 -1.311 0.580 304 HB ILE 39 HB ILE 39 8.316 1.093 2.015 305 1HG1 ILE 39 2HG1 ILE 39 6.742 -1.074 3.355 306 2HG1 ILE 39 1HG1 ILE 39 8.473 -1.302 3.100 307 1HG2 ILE 39 1HG2 ILE 39 6.210 1.901 1.974 308 2HG2 ILE 39 2HG2 ILE 39 5.562 0.381 2.593 309 3HG2 ILE 39 3HG2 ILE 39 5.799 0.597 0.863 310 1HD1 ILE 39 1HD1 ILE 39 8.988 0.172 4.769 311 2HD1 ILE 39 2HD1 ILE 39 7.294 0.081 5.231 312 3HD1 ILE 39 3HD1 ILE 39 7.846 1.368 4.165 313 H VAL 40 H VAL 40 9.789 1.036 0.153 314 HA VAL 40 HA VAL 40 8.403 2.487 -1.937 315 HB VAL 40 HB VAL 40 10.537 3.650 -2.160 316 1HG1 VAL 40 1HG1 VAL 40 10.651 4.380 0.250 317 2HG1 VAL 40 2HG1 VAL 40 9.539 3.061 0.618 318 3HG1 VAL 40 3HG1 VAL 40 9.031 4.374 -0.443 319 1HG2 VAL 40 1HG2 VAL 40 12.165 2.768 -0.197 320 2HG2 VAL 40 2HG2 VAL 40 12.321 2.294 -1.886 321 3HG2 VAL 40 3HG2 VAL 40 11.468 1.246 -0.758 322 H LYS 41 H LYS 41 10.999 0.009 -1.895 323 HA LYS 41 HA LYS 41 11.452 0.095 -4.714 324 1HB LYS 41 2HB LYS 41 12.876 -1.209 -3.113 325 2HB LYS 41 1HB LYS 41 11.534 -2.332 -2.874 326 1HG LYS 41 2HG LYS 41 11.560 -2.721 -5.385 327 2HG LYS 41 1HG LYS 41 13.069 -1.809 -5.433 328 1HD LYS 41 2HD LYS 41 14.139 -3.395 -3.938 329 2HD LYS 41 1HD LYS 41 12.616 -4.254 -3.700 330 1HE LYS 41 2HE LYS 41 14.168 -4.014 -6.292 331 2HE LYS 41 1HE LYS 41 13.952 -5.473 -5.326 332 1HZ LYS 41 1HZ LYS 41 11.530 -5.228 -5.685 333 2HZ LYS 41 2HZ LYS 41 12.400 -5.512 -7.116 334 3HZ LYS 41 3HZ LYS 41 11.843 -3.948 -6.752 335 H PHE 42 H PHE 42 9.405 -2.072 -2.752 336 HA PHE 42 HA PHE 42 7.999 -3.163 -4.961 337 1HB PHE 42 2HB PHE 42 8.160 -3.937 -2.470 338 2HB PHE 42 1HB PHE 42 6.730 -2.924 -2.235 339 HD1 PHE 42 1HD PHE 42 4.600 -3.821 -2.789 340 HD2 PHE 42 2HD PHE 42 8.139 -5.557 -4.499 341 HE1 PHE 42 1HE PHE 42 3.232 -5.614 -3.824 342 HE2 PHE 42 2HE PHE 42 6.768 -7.346 -5.527 343 HZ PHE 42 HZ PHE 42 4.312 -7.374 -5.190 344 H PHE 43 H PHE 43 7.086 -0.400 -2.797 345 HA PHE 43 HA PHE 43 4.540 0.046 -4.058 346 1HB PHE 43 2HB PHE 43 5.098 1.152 -1.983 347 2HB PHE 43 1HB PHE 43 6.487 1.939 -2.728 348 HD1 PHE 43 1HD PHE 43 2.988 2.185 -2.026 349 HD2 PHE 43 2HD PHE 43 6.046 3.555 -4.699 350 HE1 PHE 43 1HE PHE 43 1.602 4.140 -2.625 351 HE2 PHE 43 2HE PHE 43 4.633 5.477 -5.306 352 HZ PHE 43 HZ PHE 43 2.418 5.773 -4.280 353 H GLU 44 H GLU 44 7.708 1.447 -4.573 354 HA GLU 44 HA GLU 44 7.104 3.050 -6.868 355 1HB GLU 44 2HB GLU 44 9.661 1.540 -6.215 356 2HB GLU 44 1HB GLU 44 9.520 2.749 -7.483 357 1HG GLU 44 2HG GLU 44 8.616 3.499 -4.728 358 2HG GLU 44 1HG GLU 44 10.352 3.427 -5.049 359 H GLU 45 H GLU 45 7.833 -0.368 -6.479 360 HA GLU 45 HA GLU 45 7.802 -1.024 -9.303 361 1HB GLU 45 2HB GLU 45 8.802 -2.272 -7.163 362 2HB GLU 45 1HB GLU 45 7.215 -3.050 -7.185 363 1HG GLU 45 2HG GLU 45 9.161 -2.901 -9.499 364 2HG GLU 45 1HG GLU 45 8.864 -4.331 -8.511 365 H ILE 46 H ILE 46 5.444 -1.124 -6.652 366 HA ILE 46 HA ILE 46 3.493 -2.485 -8.367 367 HB ILE 46 HB ILE 46 3.889 -2.484 -5.658 368 1HG1 ILE 46 2HG1 ILE 46 1.521 -3.513 -5.628 369 2HG1 ILE 46 1HG1 ILE 46 1.469 -3.123 -7.349 370 1HG2 ILE 46 1HG2 ILE 46 2.909 -0.154 -5.599 371 2HG2 ILE 46 2HG2 ILE 46 2.129 -1.342 -4.558 372 3HG2 ILE 46 3HG2 ILE 46 1.383 -0.885 -6.088 373 1HD1 ILE 46 1HD1 ILE 46 3.872 -4.592 -6.332 374 2HD1 ILE 46 2HD1 ILE 46 3.068 -4.699 -7.897 375 3HD1 ILE 46 3HD1 ILE 46 2.363 -5.488 -6.488 376 H ASP 47 H ASP 47 3.994 0.807 -7.082 377 HA ASP 47 HA ASP 47 1.493 1.827 -8.135 378 1HB ASP 47 2HB ASP 47 2.719 3.166 -6.498 379 2HB ASP 47 1HB ASP 47 4.148 3.192 -7.536 380 H VAL 48 H VAL 48 1.560 0.609 -10.223 381 HA VAL 48 HA VAL 48 3.695 1.039 -12.110 382 HB VAL 48 HB VAL 48 2.333 -0.981 -12.027 383 1HG1 VAL 48 1HG1 VAL 48 0.240 0.589 -11.409 384 2HG1 VAL 48 2HG1 VAL 48 0.031 -1.011 -12.120 385 3HG1 VAL 48 3HG1 VAL 48 -0.049 0.424 -13.138 386 1HG2 VAL 48 1HG2 VAL 48 1.985 -1.215 -14.367 387 2HG2 VAL 48 2HG2 VAL 48 3.224 0.034 -14.245 388 3HG2 VAL 48 3HG2 VAL 48 1.546 0.482 -14.548 389 H ASP 49 H ASP 49 0.636 2.611 -11.533 390 HA ASP 49 HA ASP 49 0.461 3.690 -14.219 391 1HB ASP 49 2HB ASP 49 -1.658 3.782 -13.471 392 2HB ASP 49 1HB ASP 49 -1.138 3.657 -11.792 393 H GLY 50 H GLY 50 2.246 4.448 -11.449 394 1HA GLY 50 2HA GLY 50 3.859 6.035 -11.172 395 2HA GLY 50 1HA GLY 50 3.532 6.628 -12.796 396 H ASN 51 H ASN 51 0.700 6.573 -10.874 397 HA ASN 51 HA ASN 51 0.668 9.489 -10.811 398 1HB ASN 51 2HB ASN 51 -1.515 9.218 -9.683 399 2HB ASN 51 1HB ASN 51 -1.433 8.204 -11.128 400 1HD2 ASN 51 1HD2 ASN 51 0.614 6.654 -9.092 401 2HD2 ASN 51 2HD2 ASN 51 -0.467 5.604 -8.313 402 H GLY 52 H GLY 52 2.254 7.232 -9.100 403 1HA GLY 52 2HA GLY 52 3.534 7.473 -7.136 404 2HA GLY 52 1HA GLY 52 2.786 9.052 -6.900 405 H GLU 53 H GLU 53 0.718 6.323 -7.454 406 HA GLU 53 HA GLU 53 0.239 5.958 -4.554 407 1HB GLU 53 2HB GLU 53 -2.199 6.377 -6.205 408 2HB GLU 53 1HB GLU 53 -1.910 6.830 -4.530 409 1HG GLU 53 2HG GLU 53 -0.431 8.670 -5.305 410 2HG GLU 53 1HG GLU 53 -0.803 8.240 -6.975 411 H LEU 54 H LEU 54 -1.058 4.092 -4.029 412 HA LEU 54 HA LEU 54 -0.609 1.896 -5.894 413 1HB LEU 54 2HB LEU 54 -2.070 2.098 -3.260 414 2HB LEU 54 1HB LEU 54 -1.792 0.636 -4.102 415 HG LEU 54 HG LEU 54 0.024 0.483 -2.801 416 1HD1 LEU 54 1HD1 LEU 54 1.252 2.614 -4.542 417 2HD1 LEU 54 2HD1 LEU 54 0.919 0.997 -5.143 418 3HD1 LEU 54 3HD1 LEU 54 2.037 1.216 -3.812 419 1HD2 LEU 54 1HD2 LEU 54 1.010 2.505 -1.762 420 2HD2 LEU 54 2HD2 LEU 54 -0.695 2.264 -1.440 421 3HD2 LEU 54 3HD2 LEU 54 -0.191 3.455 -2.630 422 H ASN 55 H ASN 55 -1.960 1.456 -7.467 423 HA ASN 55 HA ASN 55 -4.694 2.524 -7.475 424 1HB ASN 55 2HB ASN 55 -4.598 0.716 -9.572 425 2HB ASN 55 1HB ASN 55 -4.265 2.438 -9.691 426 1HD2 ASN 55 1HD2 ASN 55 -3.010 -0.257 -10.835 427 2HD2 ASN 55 2HD2 ASN 55 -1.351 0.042 -10.690 428 H ALA 56 H ALA 56 -6.424 0.837 -8.270 429 HA ALA 56 HA ALA 56 -6.967 -0.880 -6.066 430 1HB ALA 56 1HB ALA 56 -8.766 0.038 -7.298 431 2HB ALA 56 2HB ALA 56 -8.830 -1.705 -7.548 432 3HB ALA 56 3HB ALA 56 -8.180 -0.657 -8.809 433 H ASP 57 H ASP 57 -6.221 -1.984 -9.452 434 HA ASP 57 HA ASP 57 -5.991 -4.712 -8.684 435 1HB ASP 57 2HB ASP 57 -6.144 -3.904 -11.038 436 2HB ASP 57 1HB ASP 57 -4.490 -3.305 -10.911 437 H GLU 58 H GLU 58 -3.534 -2.150 -8.806 438 HA GLU 58 HA GLU 58 -1.347 -3.891 -8.087 439 1HB GLU 58 2HB GLU 58 -1.710 -0.886 -8.005 440 2HB GLU 58 1HB GLU 58 -0.227 -1.666 -7.474 441 1HG GLU 58 2HG GLU 58 -1.468 -1.989 -10.219 442 2HG GLU 58 1HG GLU 58 -0.116 -0.928 -9.839 443 H PHE 59 H PHE 59 -3.785 -2.091 -6.370 444 HA PHE 59 HA PHE 59 -2.722 -2.024 -3.752 445 1HB PHE 59 2HB PHE 59 -5.419 -2.128 -4.995 446 2HB PHE 59 1HB PHE 59 -5.348 -2.672 -3.343 447 HD1 PHE 59 1HD PHE 59 -6.156 0.015 -5.153 448 HD2 PHE 59 2HD PHE 59 -3.547 -1.038 -1.946 449 HE1 PHE 59 1HE PHE 59 -6.163 2.330 -4.433 450 HE2 PHE 59 2HE PHE 59 -3.560 1.307 -1.205 451 HZ PHE 59 HZ PHE 59 -4.873 2.993 -2.468 452 H THR 60 H THR 60 -4.533 -4.590 -5.483 453 HA THR 60 HA THR 60 -4.575 -6.440 -3.290 454 HB THR 60 HB THR 60 -5.316 -8.046 -4.904 455 HG1 THR 60 1HG THR 60 -4.237 -6.258 -6.825 456 1HG2 THR 60 1HG2 THR 60 -7.075 -6.798 -6.031 457 2HG2 THR 60 2HG2 THR 60 -6.166 -5.298 -5.844 458 3HG2 THR 60 3HG2 THR 60 -6.817 -6.117 -4.424 459 H SER 61 H SER 61 -2.378 -5.961 -6.029 460 HA SER 61 HA SER 61 -0.636 -8.150 -5.207 461 1HB SER 61 2HB SER 61 -0.807 -7.181 -7.560 462 2HB SER 61 1HB SER 61 0.092 -5.791 -6.960 463 HG SER 61 HG SER 61 0.921 -8.510 -6.870 464 H CYS 62 H CYS 62 -1.165 -4.905 -4.186 465 HA CYS 62 HA CYS 62 1.540 -4.402 -3.183 466 1HB CYS 62 2HB CYS 62 -0.118 -2.575 -3.711 467 2HB CYS 62 1HB CYS 62 -1.075 -3.121 -2.335 468 HG CYS 62 HG CYS 62 0.576 -1.224 -1.529 469 H ILE 63 H ILE 63 -1.556 -5.549 -1.948 470 HA ILE 63 HA ILE 63 -0.441 -6.056 0.709 471 HB ILE 63 HB ILE 63 -3.099 -6.480 -0.623 472 1HG1 ILE 63 2HG1 ILE 63 -3.887 -5.079 1.127 473 2HG1 ILE 63 1HG1 ILE 63 -2.447 -5.348 2.103 474 1HG2 ILE 63 1HG2 ILE 63 -2.898 -8.583 0.466 475 2HG2 ILE 63 2HG2 ILE 63 -3.799 -7.575 1.598 476 3HG2 ILE 63 3HG2 ILE 63 -2.080 -7.870 1.856 477 1HD1 ILE 63 1HD1 ILE 63 -1.112 -4.001 0.691 478 2HD1 ILE 63 2HD1 ILE 63 -2.625 -3.112 0.838 479 3HD1 ILE 63 3HD1 ILE 63 -2.297 -4.053 -0.613 480 H GLU 64 H GLU 64 -1.144 -7.940 -2.299 481 HA GLU 64 HA GLU 64 -0.811 -10.489 -1.285 482 1HB GLU 64 2HB GLU 64 -1.282 -9.739 -3.703 483 2HB GLU 64 1HB GLU 64 0.468 -9.566 -3.862 484 1HG GLU 64 2HG GLU 64 0.747 -11.929 -3.153 485 2HG GLU 64 1HG GLU 64 -1.008 -12.095 -3.073 486 H LYS 65 H LYS 65 1.592 -7.880 -1.620 487 HA LYS 65 HA LYS 65 3.959 -9.422 -1.598 488 1HB LYS 65 2HB LYS 65 3.681 -6.857 -1.461 489 2HB LYS 65 1HB LYS 65 3.509 -7.087 0.279 490 1HG LYS 65 2HG LYS 65 5.729 -7.495 0.557 491 2HG LYS 65 1HG LYS 65 5.785 -8.545 -0.855 492 1HD LYS 65 2HD LYS 65 6.081 -6.739 -2.340 493 2HD LYS 65 1HD LYS 65 5.581 -5.555 -1.133 494 1HE LYS 65 2HE LYS 65 7.894 -7.148 -0.274 495 2HE LYS 65 1HE LYS 65 8.209 -6.211 -1.736 496 1HZ LYS 65 1HZ LYS 65 6.760 -4.749 0.266 497 2HZ LYS 65 2HZ LYS 65 8.144 -4.308 -0.615 498 3HZ LYS 65 3HZ LYS 65 8.292 -5.250 0.791 499 H MET 66 H MET 66 1.361 -9.451 0.520 500 HA MET 66 HA MET 66 2.464 -11.497 2.214 501 1HB MET 66 2HB MET 66 1.854 -8.734 3.325 502 2HB MET 66 1HB MET 66 1.877 -10.180 4.333 503 1HG MET 66 2HG MET 66 4.246 -10.568 3.296 504 2HG MET 66 1HG MET 66 4.159 -8.856 2.882 505 1HE MET 66 1HE MET 66 4.681 -10.846 6.928 506 2HE MET 66 2HE MET 66 5.063 -11.440 5.314 507 3HE MET 66 3HE MET 66 3.383 -11.347 5.837 508 H LEU 67 H LEU 67 0.404 -11.472 4.104 509 HA LEU 67 HA LEU 67 -1.827 -12.113 4.275 510 1HB LEU 67 2HB LEU 67 -1.773 -9.494 3.602 511 2HB LEU 67 1HB LEU 67 -2.626 -10.126 2.196 512 HG LEU 67 HG LEU 67 -4.270 -9.510 3.864 513 1HD1 LEU 67 1HD1 LEU 67 -5.511 -11.496 3.903 514 2HD1 LEU 67 2HD1 LEU 67 -4.084 -12.503 4.145 515 3HD1 LEU 67 3HD1 LEU 67 -4.393 -11.772 2.569 516 1HD2 LEU 67 1HD2 LEU 67 -4.089 -9.919 6.111 517 2HD2 LEU 67 2HD2 LEU 67 -2.372 -10.037 5.737 518 3HD2 LEU 67 3HD2 LEU 67 -3.346 -11.500 5.876 Start of MODEL 20 1 HA SER 1 HA SER 1 -9.445 -11.083 -1.405 2 1HB SER 1 2HB SER 1 -9.969 -12.205 0.767 3 2HB SER 1 1HB SER 1 -8.823 -13.117 -0.212 4 HG SER 1 HG SER 1 -8.512 -12.237 2.250 5 H SER 2 H SER 2 -8.081 -10.327 1.806 6 HA SER 2 HA SER 2 -9.924 -8.061 2.053 7 1HB SER 2 2HB SER 2 -7.935 -8.068 4.128 8 2HB SER 2 1HB SER 2 -9.641 -8.493 4.248 9 HG SER 2 HG SER 2 -7.395 -10.107 3.900 10 H ALA 3 H ALA 3 -7.688 -8.027 0.001 11 HA ALA 3 HA ALA 3 -5.816 -6.035 1.002 12 1HB ALA 3 1HB ALA 3 -6.397 -6.926 -1.830 13 2HB ALA 3 2HB ALA 3 -5.151 -7.593 -0.775 14 3HB ALA 3 3HB ALA 3 -5.040 -5.921 -1.329 15 H LYS 4 H LYS 4 -8.861 -6.012 -0.744 16 HA LYS 4 HA LYS 4 -8.652 -3.158 -1.391 17 1HB LYS 4 2HB LYS 4 -10.057 -4.178 -2.930 18 2HB LYS 4 1HB LYS 4 -10.696 -5.318 -1.753 19 1HG LYS 4 2HG LYS 4 -12.154 -3.704 -0.811 20 2HG LYS 4 1HG LYS 4 -11.290 -2.363 -1.562 21 1HD LYS 4 2HD LYS 4 -12.668 -4.491 -3.209 22 2HD LYS 4 1HD LYS 4 -13.524 -3.061 -2.638 23 1HE LYS 4 2HE LYS 4 -11.501 -1.757 -3.697 24 2HE LYS 4 1HE LYS 4 -11.266 -3.245 -4.614 25 1HZ LYS 4 1HZ LYS 4 -13.895 -1.901 -4.439 26 2HZ LYS 4 2HZ LYS 4 -13.388 -3.085 -5.549 27 3HZ LYS 4 3HZ LYS 4 -12.759 -1.509 -5.637 28 H ARG 5 H ARG 5 -10.159 -5.238 1.021 29 HA ARG 5 HA ARG 5 -11.668 -3.273 2.433 30 1HB ARG 5 2HB ARG 5 -11.692 -5.807 2.755 31 2HB ARG 5 1HB ARG 5 -10.185 -5.609 3.662 32 1HG ARG 5 2HG ARG 5 -11.490 -3.858 5.052 33 2HG ARG 5 1HG ARG 5 -12.939 -4.572 4.342 34 1HD ARG 5 2HD ARG 5 -11.547 -6.807 5.139 35 2HD ARG 5 1HD ARG 5 -11.126 -5.660 6.407 36 HE ARG 5 HE ARG 5 -13.548 -7.034 6.320 37 1HH1 ARG 5 1HH2 ARG 5 -12.552 -3.726 6.242 38 2HH1 ARG 5 2HH2 ARG 5 -14.045 -3.133 6.879 39 1HH2 ARG 5 1HH1 ARG 5 -15.490 -6.269 7.154 40 2HH2 ARG 5 2HH1 ARG 5 -15.705 -4.568 7.397 41 H VAL 6 H VAL 6 -8.387 -4.536 3.018 42 HA VAL 6 HA VAL 6 -7.747 -2.764 5.145 43 HB VAL 6 HB VAL 6 -6.518 -4.900 3.916 44 1HG1 VAL 6 1HG1 VAL 6 -4.899 -2.462 3.191 45 2HG1 VAL 6 2HG1 VAL 6 -5.656 -3.599 2.079 46 3HG1 VAL 6 3HG1 VAL 6 -4.331 -4.125 3.115 47 1HG2 VAL 6 1HG2 VAL 6 -4.449 -3.981 5.392 48 2HG2 VAL 6 2HG2 VAL 6 -5.897 -4.680 6.112 49 3HG2 VAL 6 3HG2 VAL 6 -5.726 -2.930 6.005 50 H PHE 7 H PHE 7 -7.399 -2.490 1.659 51 HA PHE 7 HA PHE 7 -5.969 -0.016 1.565 52 1HB PHE 7 2HB PHE 7 -6.250 -1.147 -0.528 53 2HB PHE 7 1HB PHE 7 -8.001 -1.204 -0.331 54 HD1 PHE 7 1HD PHE 7 -5.184 0.796 -1.432 55 HD2 PHE 7 2HD PHE 7 -9.351 0.916 -0.405 56 HE1 PHE 7 1HE PHE 7 -5.402 2.997 -2.519 57 HE2 PHE 7 2HE PHE 7 -9.560 3.119 -1.492 58 HZ PHE 7 HZ PHE 7 -7.586 4.162 -2.541 59 H GLU 8 H GLU 8 -9.484 -0.658 1.618 60 HA GLU 8 HA GLU 8 -10.418 1.984 1.509 61 1HB GLU 8 2HB GLU 8 -11.479 -0.377 3.082 62 2HB GLU 8 1HB GLU 8 -12.365 1.133 2.865 63 1HG GLU 8 2HG GLU 8 -11.276 -0.278 0.444 64 2HG GLU 8 1HG GLU 8 -12.756 -0.880 1.197 65 H LYS 9 H LYS 9 -9.606 0.099 4.417 66 HA LYS 9 HA LYS 9 -10.069 2.073 6.347 67 1HB LYS 9 2HB LYS 9 -7.739 0.139 6.341 68 2HB LYS 9 1HB LYS 9 -8.450 0.923 7.744 69 1HG LYS 9 2HG LYS 9 -9.724 -1.155 5.948 70 2HG LYS 9 1HG LYS 9 -9.360 -1.301 7.670 71 1HD LYS 9 2HD LYS 9 -10.958 0.713 7.976 72 2HD LYS 9 1HD LYS 9 -11.506 0.351 6.337 73 1HE LYS 9 2HE LYS 9 -12.958 -0.820 7.876 74 2HE LYS 9 1HE LYS 9 -11.931 -2.018 7.089 75 1HZ LYS 9 1HZ LYS 9 -10.887 -2.494 8.994 76 2HZ LYS 9 2HZ LYS 9 -12.241 -1.792 9.742 77 3HZ LYS 9 3HZ LYS 9 -10.829 -0.877 9.504 78 H PHE 10 H PHE 10 -7.192 1.647 4.296 79 HA PHE 10 HA PHE 10 -5.907 3.987 5.549 80 1HB PHE 10 2HB PHE 10 -5.058 2.410 3.134 81 2HB PHE 10 1HB PHE 10 -4.058 3.508 4.090 82 HD1 PHE 10 1HD PHE 10 -4.306 2.988 6.774 83 HD2 PHE 10 2HD PHE 10 -4.711 0.139 3.583 84 HE1 PHE 10 1HE PHE 10 -3.773 1.152 8.348 85 HE2 PHE 10 2HE PHE 10 -4.161 -1.691 5.159 86 HZ PHE 10 HZ PHE 10 -3.702 -1.191 7.540 87 H ASP 11 H ASP 11 -8.186 3.481 3.021 88 HA ASP 11 HA ASP 11 -7.434 5.431 1.153 89 1HB ASP 11 2HB ASP 11 -9.764 5.669 0.602 90 2HB ASP 11 1HB ASP 11 -9.535 3.990 1.088 91 H LYS 12 H LYS 12 -6.214 6.805 2.571 92 HA LYS 12 HA LYS 12 -7.618 8.583 4.435 93 1HB LYS 12 2HB LYS 12 -5.526 8.656 5.272 94 2HB LYS 12 1HB LYS 12 -4.957 7.729 3.889 95 1HG LYS 12 2HG LYS 12 -4.683 9.799 2.592 96 2HG LYS 12 1HG LYS 12 -5.249 10.736 3.976 97 1HD LYS 12 2HD LYS 12 -3.351 10.268 5.250 98 2HD LYS 12 1HD LYS 12 -2.990 8.801 4.334 99 1HE LYS 12 2HE LYS 12 -1.356 10.433 3.671 100 2HE LYS 12 1HE LYS 12 -2.505 10.326 2.340 101 1HZ LYS 12 1HZ LYS 12 -1.953 12.627 2.985 102 2HZ LYS 12 2HZ LYS 12 -2.645 12.344 4.510 103 3HZ LYS 12 3HZ LYS 12 -3.609 12.282 3.113 104 H ASN 13 H ASN 13 -7.187 8.354 1.153 105 HA ASN 13 HA ASN 13 -7.676 11.280 0.753 106 1HB ASN 13 2HB ASN 13 -6.797 10.809 -1.613 107 2HB ASN 13 1HB ASN 13 -5.591 10.806 -0.320 108 1HD2 ASN 13 1HD2 ASN 13 -7.932 8.170 -0.883 109 2HD2 ASN 13 2HD2 ASN 13 -6.771 7.012 -1.317 110 H LYS 14 H LYS 14 -9.279 8.626 1.119 111 HA LYS 14 HA LYS 14 -11.052 7.455 -0.069 112 1HB LYS 14 2HB LYS 14 -11.917 10.363 0.061 113 2HB LYS 14 1HB LYS 14 -12.988 8.980 -0.136 114 1HG LYS 14 2HG LYS 14 -11.650 8.172 2.070 115 2HG LYS 14 1HG LYS 14 -11.540 9.917 2.291 116 1HD LYS 14 2HD LYS 14 -14.153 8.504 1.704 117 2HD LYS 14 1HD LYS 14 -13.571 8.804 3.338 118 1HE LYS 14 2HE LYS 14 -13.545 11.199 2.955 119 2HE LYS 14 1HE LYS 14 -13.950 10.970 1.255 120 1HZ LYS 14 1HZ LYS 14 -15.724 9.828 3.289 121 2HZ LYS 14 2HZ LYS 14 -16.094 10.415 1.738 122 3HZ LYS 14 3HZ LYS 14 -15.790 11.500 3.010 123 H ASP 15 H ASP 15 -9.139 7.759 -1.813 124 HA ASP 15 HA ASP 15 -10.325 9.033 -4.242 125 1HB ASP 15 2HB ASP 15 -7.483 8.500 -3.398 126 2HB ASP 15 1HB ASP 15 -7.884 8.746 -5.102 127 H GLY 16 H GLY 16 -9.060 5.891 -2.974 128 1HA GLY 16 2HA GLY 16 -9.780 3.854 -3.982 129 2HA GLY 16 1HA GLY 16 -10.052 4.714 -5.507 130 H LYS 17 H LYS 17 -7.393 5.702 -3.726 131 HA LYS 17 HA LYS 17 -5.448 3.866 -4.865 132 1HB LYS 17 2HB LYS 17 -5.368 6.808 -5.515 133 2HB LYS 17 1HB LYS 17 -4.108 5.627 -5.833 134 1HG LYS 17 2HG LYS 17 -5.117 5.530 -7.896 135 2HG LYS 17 1HG LYS 17 -6.172 4.391 -7.068 136 1HD LYS 17 2HD LYS 17 -7.686 5.894 -8.072 137 2HD LYS 17 1HD LYS 17 -7.564 6.494 -6.413 138 1HE LYS 17 2HE LYS 17 -7.186 8.479 -7.526 139 2HE LYS 17 1HE LYS 17 -5.527 7.877 -7.488 140 1HZ LYS 17 1HZ LYS 17 -7.469 7.563 -9.714 141 2HZ LYS 17 2HZ LYS 17 -5.918 6.871 -9.676 142 3HZ LYS 17 3HZ LYS 17 -6.096 8.560 -9.707 143 H LEU 18 H LEU 18 -3.502 4.009 -3.880 144 HA LEU 18 HA LEU 18 -3.461 5.631 -1.383 145 1HB LEU 18 2HB LEU 18 -3.046 2.828 -1.846 146 2HB LEU 18 1HB LEU 18 -1.709 3.597 -1.028 147 HG LEU 18 HG LEU 18 -3.169 4.532 0.584 148 1HD1 LEU 18 1HD1 LEU 18 -5.554 2.998 0.023 149 2HD1 LEU 18 2HD1 LEU 18 -5.242 4.246 -1.182 150 3HD1 LEU 18 3HD1 LEU 18 -5.388 4.675 0.505 151 1HD2 LEU 18 1HD2 LEU 18 -3.621 2.467 1.697 152 2HD2 LEU 18 2HD2 LEU 18 -2.153 2.302 0.742 153 3HD2 LEU 18 3HD2 LEU 18 -3.673 1.633 0.149 154 H SER 19 H SER 19 -1.473 6.279 -0.652 155 HA SER 19 HA SER 19 0.516 6.738 -2.812 156 1HB SER 19 2HB SER 19 0.467 8.174 -0.198 157 2HB SER 19 1HB SER 19 1.087 8.738 -1.749 158 HG SER 19 HG SER 19 -0.843 9.755 -1.478 159 H LEU 20 H LEU 20 2.737 6.428 -2.209 160 HA LEU 20 HA LEU 20 3.298 4.133 -0.721 161 1HB LEU 20 2HB LEU 20 4.906 5.337 -2.230 162 2HB LEU 20 1HB LEU 20 5.060 6.591 -1.007 163 HG LEU 20 HG LEU 20 6.838 4.772 -1.011 164 1HD1 LEU 20 1HD1 LEU 20 7.246 5.226 1.099 165 2HD1 LEU 20 2HD1 LEU 20 5.684 4.628 1.630 166 3HD1 LEU 20 3HD1 LEU 20 5.827 6.259 0.982 167 1HD2 LEU 20 1HD2 LEU 20 5.103 3.078 0.639 168 2HD2 LEU 20 2HD2 LEU 20 6.307 2.616 -0.560 169 3HD2 LEU 20 3HD2 LEU 20 4.706 3.081 -1.059 170 H ASP 21 H ASP 21 2.479 7.214 0.142 171 HA ASP 21 HA ASP 21 3.424 7.266 2.859 172 1HB ASP 21 2HB ASP 21 0.974 8.771 1.975 173 2HB ASP 21 1HB ASP 21 2.244 9.272 3.088 174 H GLU 22 H GLU 22 0.135 6.383 1.430 175 HA GLU 22 HA GLU 22 -0.886 5.743 4.032 176 1HB GLU 22 2HB GLU 22 -1.751 5.279 1.223 177 2HB GLU 22 1HB GLU 22 -2.568 4.431 2.541 178 1HG GLU 22 2HG GLU 22 -3.723 6.543 2.032 179 2HG GLU 22 1HG GLU 22 -3.004 6.599 3.643 180 H PHE 23 H PHE 23 0.567 3.919 1.410 181 HA PHE 23 HA PHE 23 0.273 1.357 2.599 182 1HB PHE 23 2HB PHE 23 0.613 1.614 0.216 183 2HB PHE 23 1HB PHE 23 2.156 2.371 0.519 184 HD1 PHE 23 1HD PHE 23 3.980 1.007 0.063 185 HD2 PHE 23 2HD PHE 23 0.417 -0.721 1.704 186 HE1 PHE 23 1HE PHE 23 5.069 -1.221 0.081 187 HE2 PHE 23 2HE PHE 23 1.502 -2.949 1.732 188 HZ PHE 23 HZ PHE 23 3.831 -3.201 0.917 189 H ARG 24 H ARG 24 2.415 4.095 3.062 190 HA ARG 24 HA ARG 24 4.599 2.600 4.330 191 1HB ARG 24 2HB ARG 24 4.284 5.197 3.312 192 2HB ARG 24 1HB ARG 24 4.389 5.429 5.043 193 1HG ARG 24 2HG ARG 24 6.493 4.240 5.141 194 2HG ARG 24 1HG ARG 24 6.379 3.800 3.438 195 1HD ARG 24 2HD ARG 24 6.196 6.403 3.072 196 2HD ARG 24 1HD ARG 24 6.906 6.483 4.655 197 HE ARG 24 HE ARG 24 8.532 4.720 3.260 198 1HH1 ARG 24 1HH2 ARG 24 7.375 7.945 2.903 199 2HH1 ARG 24 2HH2 ARG 24 8.768 8.491 2.031 200 1HH2 ARG 24 1HH1 ARG 24 10.360 5.412 2.121 201 2HH2 ARG 24 2HH1 ARG 24 10.458 7.057 1.587 202 H GLU 25 H GLU 25 1.699 4.279 5.188 203 HA GLU 25 HA GLU 25 2.166 4.198 8.099 204 1HB GLU 25 2HB GLU 25 -0.263 4.776 6.373 205 2HB GLU 25 1HB GLU 25 -0.398 4.615 8.126 206 1HG GLU 25 2HG GLU 25 1.277 6.405 8.421 207 2HG GLU 25 1HG GLU 25 1.404 6.572 6.670 208 H VAL 26 H VAL 26 0.559 2.486 5.577 209 HA VAL 26 HA VAL 26 -0.712 0.340 6.942 210 HB VAL 26 HB VAL 26 0.376 1.035 4.279 211 1HG1 VAL 26 1HG1 VAL 26 -0.089 -1.766 5.115 212 2HG1 VAL 26 2HG1 VAL 26 1.103 -1.104 3.994 213 3HG1 VAL 26 3HG1 VAL 26 -0.578 -1.283 3.494 214 1HG2 VAL 26 1HG2 VAL 26 -2.148 -0.171 4.096 215 2HG2 VAL 26 2HG2 VAL 26 -1.722 1.524 3.875 216 3HG2 VAL 26 3HG2 VAL 26 -2.165 0.928 5.471 217 H ALA 27 H ALA 27 2.439 0.760 5.480 218 HA ALA 27 HA ALA 27 3.352 -1.891 6.091 219 1HB ALA 27 1HB ALA 27 4.120 -0.643 4.105 220 2HB ALA 27 2HB ALA 27 5.474 -1.139 5.118 221 3HB ALA 27 3HB ALA 27 4.907 0.528 5.160 222 H LEU 28 H LEU 28 3.880 1.300 7.417 223 HA LEU 28 HA LEU 28 5.837 0.401 9.391 224 1HB LEU 28 2HB LEU 28 4.392 2.989 8.867 225 2HB LEU 28 1HB LEU 28 5.251 2.755 10.386 226 HG LEU 28 HG LEU 28 7.338 2.691 9.365 227 1HD1 LEU 28 1HD1 LEU 28 7.542 2.332 6.820 228 2HD1 LEU 28 2HD1 LEU 28 5.878 1.768 6.886 229 3HD1 LEU 28 3HD1 LEU 28 7.131 0.923 7.791 230 1HD2 LEU 28 1HD2 LEU 28 6.215 4.896 9.006 231 2HD2 LEU 28 2HD2 LEU 28 5.726 4.346 7.403 232 3HD2 LEU 28 3HD2 LEU 28 7.438 4.540 7.785 233 H ALA 29 H ALA 29 2.336 0.934 9.311 234 HA ALA 29 HA ALA 29 2.022 0.713 12.184 235 1HB ALA 29 1HB ALA 29 0.469 1.977 10.714 236 2HB ALA 29 2HB ALA 29 -0.365 0.723 11.630 237 3HB ALA 29 3HB ALA 29 0.013 0.464 9.928 238 H PHE 30 H PHE 30 0.908 -1.370 9.490 239 HA PHE 30 HA PHE 30 0.138 -3.556 11.118 240 1HB PHE 30 2HB PHE 30 -0.322 -3.096 8.603 241 2HB PHE 30 1HB PHE 30 1.212 -3.926 8.325 242 HD1 PHE 30 1HD PHE 30 -2.251 -4.287 9.527 243 HD2 PHE 30 2HD PHE 30 1.479 -6.302 8.830 244 HE1 PHE 30 1HE PHE 30 -3.386 -6.476 9.787 245 HE2 PHE 30 2HE PHE 30 0.344 -8.490 9.089 246 HZ PHE 30 HZ PHE 30 -2.089 -8.578 9.568 247 H SER 31 H SER 31 3.154 -3.217 9.213 248 HA SER 31 HA SER 31 4.488 -4.957 11.235 249 1HB SER 31 2HB SER 31 4.412 -5.295 8.245 250 2HB SER 31 1HB SER 31 5.762 -5.920 9.191 251 HG SER 31 HG SER 31 4.429 -7.301 10.195 252 HA PRO 32 HA PRO 32 6.907 -1.109 10.626 253 1HB PRO 32 2HB PRO 32 8.360 -1.391 12.966 254 2HB PRO 32 1HB PRO 32 6.780 -0.587 12.856 255 1HG PRO 32 2HG PRO 32 7.448 -3.335 13.777 256 2HG PRO 32 1HG PRO 32 6.228 -2.200 14.386 257 1HD PRO 32 2HD PRO 32 5.600 -4.318 12.793 258 2HD PRO 32 1HD PRO 32 4.667 -2.805 12.779 259 H TYR 33 H TYR 33 7.789 -4.398 10.664 260 HA TYR 33 HA TYR 33 10.666 -3.985 10.521 261 1HB TYR 33 2HB TYR 33 9.166 -6.423 9.558 262 2HB TYR 33 1HB TYR 33 10.806 -6.330 10.212 263 HD1 TYR 33 1HD TYR 33 11.025 -5.427 12.661 264 HD2 TYR 33 2HD TYR 33 7.388 -6.979 10.983 265 HE1 TYR 33 1HE TYR 33 10.141 -5.821 14.943 266 HE2 TYR 33 2HE TYR 33 6.503 -7.374 13.266 267 HH TYR 33 HH TYR 33 8.116 -6.152 16.097 268 H PHE 34 H PHE 34 8.158 -3.338 8.372 269 HA PHE 34 HA PHE 34 9.357 -4.246 5.901 270 1HB PHE 34 2HB PHE 34 7.222 -2.251 6.611 271 2HB PHE 34 1HB PHE 34 8.033 -2.046 5.078 272 HD1 PHE 34 1HD PHE 34 6.271 -4.586 7.129 273 HD2 PHE 34 2HD PHE 34 7.383 -3.295 3.190 274 HE1 PHE 34 1HE PHE 34 4.843 -6.365 6.152 275 HE2 PHE 34 2HE PHE 34 5.958 -5.074 2.208 276 HZ PHE 34 HZ PHE 34 4.688 -6.609 3.688 277 H THR 35 H THR 35 11.116 -3.562 4.986 278 HA THR 35 HA THR 35 12.488 -1.262 6.108 279 HB THR 35 HB THR 35 13.716 -2.039 3.666 280 HG1 THR 35 1HG THR 35 12.214 -3.900 4.064 281 1HG2 THR 35 1HG2 THR 35 15.414 -2.859 5.244 282 2HG2 THR 35 2HG2 THR 35 14.235 -2.740 6.552 283 3HG2 THR 35 3HG2 THR 35 14.785 -1.283 5.722 284 H GLN 36 H GLN 36 12.731 0.706 5.187 285 HA GLN 36 HA GLN 36 10.647 1.740 3.645 286 1HB GLN 36 2HB GLN 36 12.420 2.917 5.070 287 2HB GLN 36 1HB GLN 36 13.460 2.813 3.650 288 1HG GLN 36 2HG GLN 36 12.177 4.970 3.809 289 2HG GLN 36 1HG GLN 36 11.900 4.094 2.317 290 1HE2 GLN 36 1HE2 GLN 36 9.823 2.926 2.121 291 2HE2 GLN 36 2HE2 GLN 36 8.496 3.378 3.071 292 H GLU 37 H GLU 37 13.594 0.211 2.713 293 HA GLU 37 HA GLU 37 13.485 1.017 -0.099 294 1HB GLU 37 2HB GLU 37 14.954 -1.317 1.190 295 2HB GLU 37 1HB GLU 37 15.240 -0.689 -0.432 296 1HG GLU 37 2HG GLU 37 15.370 1.317 1.761 297 2HG GLU 37 1HG GLU 37 16.656 0.112 1.752 298 H ASP 38 H ASP 38 12.330 -1.741 1.811 299 HA ASP 38 HA ASP 38 11.493 -3.282 -0.504 300 1HB ASP 38 2HB ASP 38 10.588 -3.445 2.390 301 2HB ASP 38 1HB ASP 38 10.277 -4.661 1.146 302 H ILE 39 H ILE 39 9.947 -0.955 1.668 303 HA ILE 39 HA ILE 39 7.287 -1.312 0.577 304 HB ILE 39 HB ILE 39 8.351 1.165 1.948 305 1HG1 ILE 39 2HG1 ILE 39 7.028 -1.054 3.453 306 2HG1 ILE 39 1HG1 ILE 39 8.734 -1.238 3.047 307 1HG2 ILE 39 1HG2 ILE 39 5.635 -0.094 2.250 308 2HG2 ILE 39 2HG2 ILE 39 5.991 0.942 0.870 309 3HG2 ILE 39 3HG2 ILE 39 6.112 1.585 2.504 310 1HD1 ILE 39 1HD1 ILE 39 9.317 0.188 4.711 311 2HD1 ILE 39 2HD1 ILE 39 7.627 0.237 5.204 312 3HD1 ILE 39 3HD1 ILE 39 8.247 1.439 4.076 313 H VAL 40 H VAL 40 9.836 1.100 0.106 314 HA VAL 40 HA VAL 40 8.404 2.535 -1.961 315 HB VAL 40 HB VAL 40 10.478 3.753 -2.185 316 1HG1 VAL 40 1HG1 VAL 40 9.576 3.008 0.571 317 2HG1 VAL 40 2HG1 VAL 40 9.174 4.450 -0.356 318 3HG1 VAL 40 3HG1 VAL 40 10.795 4.250 0.309 319 1HG2 VAL 40 1HG2 VAL 40 11.539 1.320 -0.887 320 2HG2 VAL 40 2HG2 VAL 40 12.298 2.861 -0.467 321 3HG2 VAL 40 3HG2 VAL 40 12.256 2.325 -2.145 322 H LYS 41 H LYS 41 11.011 0.046 -1.997 323 HA LYS 41 HA LYS 41 11.363 0.179 -4.839 324 1HB LYS 41 2HB LYS 41 12.904 -1.102 -3.364 325 2HB LYS 41 1HB LYS 41 11.593 -2.225 -2.983 326 1HG LYS 41 2HG LYS 41 11.443 -2.897 -5.326 327 2HG LYS 41 1HG LYS 41 12.676 -1.716 -5.769 328 1HD LYS 41 2HD LYS 41 14.337 -2.876 -4.415 329 2HD LYS 41 1HD LYS 41 13.115 -4.005 -3.829 330 1HE LYS 41 2HE LYS 41 14.174 -5.199 -5.564 331 2HE LYS 41 1HE LYS 41 12.725 -4.553 -6.337 332 1HZ LYS 41 1HZ LYS 41 13.916 -3.039 -7.523 333 2HZ LYS 41 2HZ LYS 41 15.087 -4.265 -7.407 334 3HZ LYS 41 3HZ LYS 41 15.154 -2.920 -6.370 335 H PHE 42 H PHE 42 9.459 -2.066 -2.815 336 HA PHE 42 HA PHE 42 7.981 -3.201 -4.933 337 1HB PHE 42 2HB PHE 42 8.232 -3.889 -2.427 338 2HB PHE 42 1HB PHE 42 6.810 -2.874 -2.173 339 HD1 PHE 42 1HD PHE 42 4.703 -3.893 -2.447 340 HD2 PHE 42 2HD PHE 42 8.099 -5.498 -4.529 341 HE1 PHE 42 1HE PHE 42 3.300 -5.736 -3.334 342 HE2 PHE 42 2HE PHE 42 6.691 -7.336 -5.415 343 HZ PHE 42 HZ PHE 42 4.290 -7.453 -4.817 344 H PHE 43 H PHE 43 7.084 -0.438 -2.768 345 HA PHE 43 HA PHE 43 4.521 0.010 -3.963 346 1HB PHE 43 2HB PHE 43 5.139 1.157 -1.939 347 2HB PHE 43 1HB PHE 43 6.527 1.898 -2.732 348 HD1 PHE 43 1HD PHE 43 6.106 3.535 -4.664 349 HD2 PHE 43 2HD PHE 43 3.030 2.190 -2.001 350 HE1 PHE 43 1HE PHE 43 4.719 5.486 -5.258 351 HE2 PHE 43 2HE PHE 43 1.658 4.155 -2.602 352 HZ PHE 43 HZ PHE 43 2.496 5.798 -4.249 353 H GLU 44 H GLU 44 7.675 1.335 -4.623 354 HA GLU 44 HA GLU 44 7.011 2.923 -6.918 355 1HB GLU 44 2HB GLU 44 9.558 1.407 -6.248 356 2HB GLU 44 1HB GLU 44 9.414 2.504 -7.611 357 1HG GLU 44 2HG GLU 44 8.579 3.510 -4.919 358 2HG GLU 44 1HG GLU 44 10.307 3.378 -5.264 359 H GLU 45 H GLU 45 7.612 -0.490 -6.425 360 HA GLU 45 HA GLU 45 7.499 -1.263 -9.220 361 1HB GLU 45 2HB GLU 45 8.502 -2.448 -7.039 362 2HB GLU 45 1HB GLU 45 6.894 -3.185 -7.013 363 1HG GLU 45 2HG GLU 45 8.827 -3.181 -9.345 364 2HG GLU 45 1HG GLU 45 8.477 -4.564 -8.310 365 H ILE 46 H ILE 46 5.214 -1.276 -6.485 366 HA ILE 46 HA ILE 46 3.152 -2.557 -8.128 367 HB ILE 46 HB ILE 46 3.608 -2.518 -5.428 368 1HG1 ILE 46 2HG1 ILE 46 1.241 -3.460 -5.295 369 2HG1 ILE 46 1HG1 ILE 46 1.077 -3.029 -6.999 370 1HG2 ILE 46 1HG2 ILE 46 1.185 -0.786 -5.829 371 2HG2 ILE 46 2HG2 ILE 46 2.765 -0.146 -5.384 372 3HG2 ILE 46 3HG2 ILE 46 1.934 -1.266 -4.308 373 1HD1 ILE 46 1HD1 ILE 46 2.292 -5.364 -5.882 374 2HD1 ILE 46 2HD1 ILE 46 3.557 -4.433 -6.683 375 3HD1 ILE 46 3HD1 ILE 46 2.125 -4.931 -7.582 376 H ASP 47 H ASP 47 3.912 0.698 -6.970 377 HA ASP 47 HA ASP 47 1.448 1.890 -7.901 378 1HB ASP 47 2HB ASP 47 3.373 2.866 -6.366 379 2HB ASP 47 1HB ASP 47 4.094 3.347 -7.904 380 H VAL 48 H VAL 48 1.319 0.599 -10.000 381 HA VAL 48 HA VAL 48 3.345 0.875 -12.005 382 HB VAL 48 HB VAL 48 1.820 -1.026 -11.803 383 1HG1 VAL 48 1HG1 VAL 48 -0.504 0.564 -12.769 384 2HG1 VAL 48 2HG1 VAL 48 -0.077 0.727 -11.069 385 3HG1 VAL 48 3HG1 VAL 48 -0.467 -0.861 -11.731 386 1HG2 VAL 48 1HG2 VAL 48 1.284 -1.240 -14.116 387 2HG2 VAL 48 2HG2 VAL 48 2.646 -0.120 -14.091 388 3HG2 VAL 48 3HG2 VAL 48 1.003 0.493 -14.286 389 H ASP 49 H ASP 49 0.464 2.672 -11.210 390 HA ASP 49 HA ASP 49 0.206 3.815 -13.866 391 1HB ASP 49 2HB ASP 49 -1.856 4.093 -13.032 392 2HB ASP 49 1HB ASP 49 -1.290 3.763 -11.397 393 H GLY 50 H GLY 50 2.181 4.418 -11.173 394 1HA GLY 50 2HA GLY 50 3.825 5.955 -10.862 395 2HA GLY 50 1HA GLY 50 3.596 6.476 -12.526 396 H ASN 51 H ASN 51 0.706 6.706 -10.700 397 HA ASN 51 HA ASN 51 0.860 9.621 -10.801 398 1HB ASN 51 2HB ASN 51 -1.291 8.352 -11.143 399 2HB ASN 51 1HB ASN 51 -1.226 7.884 -9.439 400 1HD2 ASN 51 1HD2 ASN 51 -3.145 9.131 -8.880 401 2HD2 ASN 51 2HD2 ASN 51 -3.124 10.828 -8.855 402 H GLY 52 H GLY 52 2.416 7.546 -8.996 403 1HA GLY 52 2HA GLY 52 3.598 7.878 -6.983 404 2HA GLY 52 1HA GLY 52 2.722 9.395 -6.779 405 H GLU 53 H GLU 53 0.738 6.684 -7.444 406 HA GLU 53 HA GLU 53 0.287 6.125 -4.569 407 1HB GLU 53 2HB GLU 53 -2.197 6.525 -6.129 408 2HB GLU 53 1HB GLU 53 -1.857 6.985 -4.466 409 1HG GLU 53 2HG GLU 53 -0.472 8.878 -5.298 410 2HG GLU 53 1HG GLU 53 -0.902 8.438 -6.952 411 H LEU 54 H LEU 54 -0.939 4.212 -4.161 412 HA LEU 54 HA LEU 54 -0.487 2.138 -6.168 413 1HB LEU 54 2HB LEU 54 -1.946 2.154 -3.520 414 2HB LEU 54 1HB LEU 54 -1.628 0.751 -4.458 415 HG LEU 54 HG LEU 54 0.200 0.524 -3.208 416 1HD1 LEU 54 1HD1 LEU 54 1.153 1.382 -5.388 417 2HD1 LEU 54 2HD1 LEU 54 2.189 1.548 -3.989 418 3HD1 LEU 54 3HD1 LEU 54 1.309 2.945 -4.604 419 1HD2 LEU 54 1HD2 LEU 54 1.035 2.409 -1.837 420 2HD2 LEU 54 2HD2 LEU 54 -0.668 2.048 -1.624 421 3HD2 LEU 54 3HD2 LEU 54 -0.178 3.424 -2.608 422 H ASN 55 H ASN 55 -2.049 1.310 -7.506 423 HA ASN 55 HA ASN 55 -4.703 2.635 -7.426 424 1HB ASN 55 2HB ASN 55 -4.805 0.729 -9.467 425 2HB ASN 55 1HB ASN 55 -4.482 2.446 -9.673 426 1HD2 ASN 55 1HD2 ASN 55 -3.363 -0.196 -10.916 427 2HD2 ASN 55 2HD2 ASN 55 -1.691 0.045 -10.874 428 H ALA 56 H ALA 56 -6.533 0.965 -7.990 429 HA ALA 56 HA ALA 56 -6.889 -0.610 -5.685 430 1HB ALA 56 1HB ALA 56 -8.900 -1.494 -6.900 431 2HB ALA 56 2HB ALA 56 -8.342 -0.597 -8.312 432 3HB ALA 56 3HB ALA 56 -8.777 0.263 -6.837 433 H ASP 57 H ASP 57 -6.442 -1.942 -9.000 434 HA ASP 57 HA ASP 57 -6.226 -4.642 -8.111 435 1HB ASP 57 2HB ASP 57 -6.463 -3.825 -10.515 436 2HB ASP 57 1HB ASP 57 -4.734 -3.478 -10.476 437 H GLU 58 H GLU 58 -3.962 -2.029 -8.121 438 HA GLU 58 HA GLU 58 -1.641 -3.709 -7.661 439 1HB GLU 58 2HB GLU 58 -2.079 -0.718 -7.521 440 2HB GLU 58 1HB GLU 58 -0.557 -1.456 -7.054 441 1HG GLU 58 2HG GLU 58 -1.904 -1.750 -9.747 442 2HG GLU 58 1HG GLU 58 -0.507 -0.735 -9.406 443 H PHE 59 H PHE 59 -4.084 -2.120 -5.728 444 HA PHE 59 HA PHE 59 -2.788 -2.244 -3.179 445 1HB PHE 59 2HB PHE 59 -5.670 -3.101 -3.651 446 2HB PHE 59 1HB PHE 59 -4.951 -2.515 -2.182 447 HD1 PHE 59 1HD PHE 59 -3.409 -0.249 -3.830 448 HD2 PHE 59 2HD PHE 59 -7.468 -1.533 -3.362 449 HE1 PHE 59 1HE PHE 59 -4.196 2.022 -4.338 450 HE2 PHE 59 2HE PHE 59 -8.257 0.743 -3.906 451 HZ PHE 59 HZ PHE 59 -6.623 2.503 -4.425 452 H THR 60 H THR 60 -4.568 -4.639 -5.158 453 HA THR 60 HA THR 60 -4.524 -6.760 -3.256 454 HB THR 60 HB THR 60 -5.176 -8.149 -5.065 455 HG1 THR 60 1HG THR 60 -3.979 -8.001 -6.771 456 1HG2 THR 60 1HG2 THR 60 -6.008 -5.366 -5.899 457 2HG2 THR 60 2HG2 THR 60 -6.680 -6.196 -4.495 458 3HG2 THR 60 3HG2 THR 60 -6.912 -6.864 -6.110 459 H SER 61 H SER 61 -2.322 -6.014 -5.960 460 HA SER 61 HA SER 61 -0.498 -8.150 -5.209 461 1HB SER 61 2HB SER 61 -0.614 -7.216 -7.515 462 2HB SER 61 1HB SER 61 0.018 -5.690 -6.906 463 HG SER 61 HG SER 61 1.819 -6.710 -7.479 464 H CYS 62 H CYS 62 -1.113 -4.973 -4.022 465 HA CYS 62 HA CYS 62 1.578 -4.459 -2.993 466 1HB CYS 62 2HB CYS 62 -0.150 -2.660 -3.446 467 2HB CYS 62 1HB CYS 62 -1.051 -3.276 -2.063 468 HG CYS 62 HG CYS 62 1.467 -1.571 -1.913 469 H ILE 63 H ILE 63 -1.528 -5.616 -1.752 470 HA ILE 63 HA ILE 63 -0.388 -6.268 0.851 471 HB ILE 63 HB ILE 63 -3.052 -6.655 -0.489 472 1HG1 ILE 63 2HG1 ILE 63 -3.839 -5.338 1.330 473 2HG1 ILE 63 1HG1 ILE 63 -2.375 -5.618 2.269 474 1HG2 ILE 63 1HG2 ILE 63 -2.848 -8.792 0.517 475 2HG2 ILE 63 2HG2 ILE 63 -3.730 -7.830 1.700 476 3HG2 ILE 63 3HG2 ILE 63 -2.008 -8.139 1.924 477 1HD1 ILE 63 1HD1 ILE 63 -1.082 -4.211 0.870 478 2HD1 ILE 63 2HD1 ILE 63 -2.599 -3.343 1.090 479 3HD1 ILE 63 3HD1 ILE 63 -2.301 -4.227 -0.403 480 H GLU 64 H GLU 64 -1.106 -8.035 -2.223 481 HA GLU 64 HA GLU 64 -0.741 -10.618 -1.325 482 1HB GLU 64 2HB GLU 64 -1.212 -9.761 -3.716 483 2HB GLU 64 1HB GLU 64 0.538 -9.598 -3.863 484 1HG GLU 64 2HG GLU 64 0.021 -11.771 -4.700 485 2HG GLU 64 1HG GLU 64 0.688 -12.028 -3.088 486 H LYS 65 H LYS 65 1.669 -7.982 -1.581 487 HA LYS 65 HA LYS 65 4.015 -9.551 -1.620 488 1HB LYS 65 2HB LYS 65 3.807 -7.001 -1.432 489 2HB LYS 65 1HB LYS 65 3.578 -7.249 0.300 490 1HG LYS 65 2HG LYS 65 5.764 -7.823 0.643 491 2HG LYS 65 1HG LYS 65 5.861 -8.701 -0.882 492 1HD LYS 65 2HD LYS 65 6.266 -6.750 -2.129 493 2HD LYS 65 1HD LYS 65 5.697 -5.698 -0.832 494 1HE LYS 65 2HE LYS 65 8.169 -7.446 -0.644 495 2HE LYS 65 1HE LYS 65 8.203 -5.735 -1.070 496 1HZ LYS 65 1HZ LYS 65 8.443 -6.573 1.408 497 2HZ LYS 65 2HZ LYS 65 6.748 -6.485 1.344 498 3HZ LYS 65 3HZ LYS 65 7.685 -5.106 1.025 499 H MET 66 H MET 66 1.432 -9.607 0.530 500 HA MET 66 HA MET 66 2.574 -11.688 2.158 501 1HB MET 66 2HB MET 66 1.943 -10.441 4.310 502 2HB MET 66 1HB MET 66 3.418 -9.890 3.518 503 1HG MET 66 2HG MET 66 2.468 -7.823 3.719 504 2HG MET 66 1HG MET 66 1.553 -8.297 2.292 505 1HE MET 66 1HE MET 66 0.189 -7.825 6.597 506 2HE MET 66 2HE MET 66 1.363 -6.873 5.694 507 3HE MET 66 3HE MET 66 1.739 -8.537 6.133 508 H LEU 67 H LEU 67 0.517 -11.819 4.015 509 HA LEU 67 HA LEU 67 -1.724 -12.432 4.198 510 1HB LEU 67 2HB LEU 67 -1.841 -9.898 3.484 511 2HB LEU 67 1HB LEU 67 -2.379 -10.551 1.941 512 HG LEU 67 HG LEU 67 -4.333 -10.065 3.301 513 1HD1 LEU 67 1HD1 LEU 67 -5.434 -12.158 3.150 514 2HD1 LEU 67 2HD1 LEU 67 -3.949 -13.057 3.462 515 3HD1 LEU 67 3HD1 LEU 67 -4.173 -12.225 1.921 516 1HD2 LEU 67 1HD2 LEU 67 -4.560 -10.591 5.529 517 2HD2 LEU 67 2HD2 LEU 67 -2.798 -10.527 5.476 518 3HD2 LEU 67 3HD2 LEU 67 -3.629 -12.081 5.387
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