NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7033 | 1jw3 | 5165 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -5.108 2.810 18.555 2 2H MET 1 2HT MET 1 -4.761 3.946 17.316 3 3H MET 1 3HT MET 1 -4.391 4.317 18.950 4 HA MET 1 HA MET 1 -2.388 3.763 18.035 5 1HB MET 1 2HB MET 1 -3.761 1.696 19.663 6 2HB MET 1 1HB MET 1 -2.225 1.230 18.945 7 1HG MET 1 2HG MET 1 -1.023 2.653 20.241 8 2HG MET 1 1HG MET 1 -2.333 3.826 20.364 9 1HE MET 1 1HE MET 1 -0.548 0.881 21.516 10 2HE MET 1 2HE MET 1 -1.950 -0.168 21.736 11 3HE MET 1 3HE MET 1 -1.143 0.532 23.139 12 H LYS 2 H LYS 2 -4.955 1.651 16.928 13 HA LYS 2 HA LYS 2 -3.404 0.027 15.217 14 1HB LYS 2 2HB LYS 2 -6.319 0.761 14.912 15 2HB LYS 2 1HB LYS 2 -5.509 -0.634 14.211 16 1HG LYS 2 2HG LYS 2 -5.832 -0.152 17.164 17 2HG LYS 2 1HG LYS 2 -6.885 -1.177 16.188 18 1HD LYS 2 2HD LYS 2 -5.411 -2.865 16.178 19 2HD LYS 2 1HD LYS 2 -4.049 -1.789 15.861 20 1HE LYS 2 2HE LYS 2 -3.570 -2.669 17.962 21 2HE LYS 2 1HE LYS 2 -4.287 -1.101 18.326 22 1HZ LYS 2 1HZ LYS 2 -6.100 -2.043 19.245 23 2HZ LYS 2 2HZ LYS 2 -5.059 -3.355 19.483 24 3HZ LYS 2 3HZ LYS 2 -6.125 -3.349 18.169 25 H GLY 3 H GLY 3 -5.382 2.901 14.564 26 1HA GLY 3 2HA GLY 3 -5.144 4.534 12.957 27 2HA GLY 3 1HA GLY 3 -3.572 3.851 12.575 28 H PHE 4 H PHE 4 -5.946 1.473 12.416 29 HA PHE 4 HA PHE 4 -6.584 2.010 9.618 30 1HB PHE 4 2HB PHE 4 -5.590 0.145 8.742 31 2HB PHE 4 1HB PHE 4 -4.451 0.513 10.027 32 HD1 PHE 4 1HD PHE 4 -4.906 -0.666 12.311 33 HD2 PHE 4 2HD PHE 4 -6.435 -1.998 8.570 34 HE1 PHE 4 1HE PHE 4 -5.207 -2.922 13.242 35 HE2 PHE 4 2HE PHE 4 -6.740 -4.257 9.494 36 HZ PHE 4 HZ PHE 4 -6.126 -4.722 11.834 37 H GLU 5 H GLU 5 -8.553 1.240 8.974 38 HA GLU 5 HA GLU 5 -9.990 -0.663 10.647 39 1HB GLU 5 2HB GLU 5 -11.959 0.777 10.860 40 2HB GLU 5 1HB GLU 5 -10.560 1.504 11.636 41 1HG GLU 5 2HG GLU 5 -10.244 2.819 9.488 42 2HG GLU 5 1HG GLU 5 -11.860 2.271 9.045 43 H PHE 6 H PHE 6 -11.107 -2.050 9.400 44 HA PHE 6 HA PHE 6 -11.575 -1.266 6.602 45 1HB PHE 6 2HB PHE 6 -11.582 -3.746 6.158 46 2HB PHE 6 1HB PHE 6 -10.039 -3.075 6.671 47 HD1 PHE 6 1HD PHE 6 -9.219 -3.475 8.965 48 HD2 PHE 6 2HD PHE 6 -12.727 -5.360 7.466 49 HE1 PHE 6 1HE PHE 6 -9.103 -5.127 10.786 50 HE2 PHE 6 2HE PHE 6 -12.619 -7.015 9.284 51 HZ PHE 6 HZ PHE 6 -10.806 -6.899 10.946 52 H PHE 7 H PHE 7 -13.486 -1.781 5.571 53 HA PHE 7 HA PHE 7 -15.734 -2.403 7.365 54 1HB PHE 7 2HB PHE 7 -16.979 -1.383 5.202 55 2HB PHE 7 1HB PHE 7 -16.437 -0.395 6.552 56 HD1 PHE 7 1HD PHE 7 -14.949 1.361 6.202 57 HD2 PHE 7 2HD PHE 7 -15.408 -1.623 3.203 58 HE1 PHE 7 1HE PHE 7 -13.585 2.712 4.657 59 HE2 PHE 7 2HE PHE 7 -14.046 -0.285 1.655 60 HZ PHE 7 HZ PHE 7 -13.129 1.891 2.381 61 H ASP 8 H ASP 8 -17.430 -3.774 6.533 62 HA ASP 8 HA ASP 8 -16.329 -5.877 4.863 63 1HB ASP 8 2HB ASP 8 -18.436 -7.093 5.521 64 2HB ASP 8 1HB ASP 8 -17.365 -6.655 6.848 65 H VAL 9 H VAL 9 -16.448 -5.473 2.756 66 HA VAL 9 HA VAL 9 -19.021 -4.602 1.622 67 HB VAL 9 HB VAL 9 -16.216 -4.106 0.800 68 1HG1 VAL 9 1HG1 VAL 9 -16.468 -4.180 -1.487 69 2HG1 VAL 9 2HG1 VAL 9 -18.229 -4.141 -1.405 70 3HG1 VAL 9 3HG1 VAL 9 -17.361 -5.619 -1.007 71 1HG2 VAL 9 1HG2 VAL 9 -18.835 -2.708 0.434 72 2HG2 VAL 9 2HG2 VAL 9 -17.294 -2.110 -0.193 73 3HG2 VAL 9 3HG2 VAL 9 -17.534 -2.286 1.551 74 H THR 10 H THR 10 -19.861 -5.717 -0.186 75 HA THR 10 HA THR 10 -19.066 -8.517 -0.242 76 HB THR 10 HB THR 10 -21.505 -7.102 -1.326 77 HG1 THR 10 1HG THR 10 -22.547 -8.044 0.363 78 1HG2 THR 10 1HG2 THR 10 -20.924 -10.055 -1.310 79 2HG2 THR 10 2HG2 THR 10 -21.040 -9.022 -2.735 80 3HG2 THR 10 3HG2 THR 10 -22.464 -9.306 -1.734 81 H ALA 11 H ALA 11 -17.524 -9.010 -1.715 82 HA ALA 11 HA ALA 11 -16.975 -9.438 -3.999 83 1HB ALA 11 1HB ALA 11 -18.959 -8.063 -4.783 84 2HB ALA 11 2HB ALA 11 -17.497 -7.934 -5.760 85 3HB ALA 11 3HB ALA 11 -17.919 -6.645 -4.630 86 H ASP 12 H ASP 12 -16.708 -6.273 -2.513 87 HA ASP 12 HA ASP 12 -13.808 -6.389 -2.922 88 1HB ASP 12 2HB ASP 12 -14.432 -3.692 -2.582 89 2HB ASP 12 1HB ASP 12 -13.951 -4.469 -4.064 90 H ALA 13 H ALA 13 -12.623 -4.907 -1.370 91 HA ALA 13 HA ALA 13 -13.941 -4.554 1.196 92 1HB ALA 13 1HB ALA 13 -12.500 -6.866 0.737 93 2HB ALA 13 2HB ALA 13 -12.948 -6.200 2.308 94 3HB ALA 13 3HB ALA 13 -11.374 -5.825 1.607 95 H GLY 14 H GLY 14 -13.400 -2.567 1.893 96 1HA GLY 14 2HA GLY 14 -10.762 -1.522 1.088 97 2HA GLY 14 1HA GLY 14 -12.181 -0.513 1.236 98 H PHE 15 H PHE 15 -9.429 -0.735 2.492 99 HA PHE 15 HA PHE 15 -10.238 -0.793 5.309 100 1HB PHE 15 2HB PHE 15 -7.377 -0.660 4.444 101 2HB PHE 15 1HB PHE 15 -8.073 -1.407 5.878 102 HD1 PHE 15 1HD PHE 15 -8.447 -3.702 5.938 103 HD2 PHE 15 2HD PHE 15 -7.839 -1.784 2.188 104 HE1 PHE 15 1HE PHE 15 -8.381 -5.895 4.829 105 HE2 PHE 15 2HE PHE 15 -7.768 -3.974 1.075 106 HZ PHE 15 HZ PHE 15 -8.039 -6.035 2.395 107 H TRP 16 H TRP 16 -9.457 0.878 6.693 108 HA TRP 16 HA TRP 16 -9.032 3.411 5.262 109 1HB TRP 16 2HB TRP 16 -10.854 2.669 7.370 110 2HB TRP 16 1HB TRP 16 -9.786 3.949 7.931 111 HD1 TRP 16 HD TRP 16 -11.708 3.380 4.590 112 HE1 TRP 16 1HE TRP 16 -12.910 5.578 3.999 113 HE3 TRP 16 3HE TRP 16 -10.269 6.199 8.606 114 HZ2 TRP 16 2HZ TRP 16 -13.209 8.164 5.091 115 HZ3 TRP 16 3HZ TRP 16 -11.057 8.526 8.757 116 HH2 TRP 16 HH TRP 16 -12.497 9.486 7.035 117 H ALA 17 H ALA 17 -7.214 4.500 5.641 118 HA ALA 17 HA ALA 17 -5.504 3.600 7.873 119 1HB ALA 17 1HB ALA 17 -4.227 4.845 5.515 120 2HB ALA 17 2HB ALA 17 -4.876 3.222 5.287 121 3HB ALA 17 3HB ALA 17 -3.671 3.522 6.539 122 H TYR 18 H TYR 18 -4.276 5.048 8.889 123 HA TYR 18 HA TYR 18 -5.292 7.794 8.707 124 1HB TYR 18 2HB TYR 18 -4.478 6.002 10.939 125 2HB TYR 18 1HB TYR 18 -4.352 7.725 11.147 126 HD1 TYR 18 1HD TYR 18 -6.731 5.048 10.248 127 HD2 TYR 18 2HD TYR 18 -6.241 8.981 11.787 128 HE1 TYR 18 1HE TYR 18 -9.112 5.105 10.830 129 HE2 TYR 18 2HE TYR 18 -8.627 9.055 12.375 130 HH TYR 18 HH TYR 18 -10.448 7.198 12.918 131 H GLY 19 H GLY 19 -3.820 9.502 9.303 132 1HA GLY 19 2HA GLY 19 -1.071 8.904 8.413 133 2HA GLY 19 1HA GLY 19 -1.895 10.412 8.162 134 H HIS 20 H HIS 20 -0.251 11.448 8.916 135 HA HIS 20 HA HIS 20 -0.278 12.268 11.557 136 1HB HIS 20 2HB HIS 20 1.064 10.810 12.516 137 2HB HIS 20 1HB HIS 20 1.119 9.873 11.061 138 HD1 HIS 20 1HD HIS 20 3.369 9.416 10.251 139 HD2 HIS 20 2HD HIS 20 3.222 12.989 12.364 140 HE1 HIS 20 1HE HIS 20 5.713 10.298 10.221 141 HE2 HIS 20 2HE HIS 20 5.629 12.406 11.610 142 H ASP 21 H ASP 21 1.270 11.937 8.464 143 HA ASP 21 HA ASP 21 1.935 14.757 8.439 144 1HB ASP 21 2HB ASP 21 3.909 13.364 9.440 145 2HB ASP 21 1HB ASP 21 4.184 12.899 7.764 146 H LEU 22 H LEU 22 0.183 12.895 7.044 147 HA LEU 22 HA LEU 22 -0.669 12.725 4.937 148 1HB LEU 22 2HB LEU 22 1.232 14.821 4.651 149 2HB LEU 22 1HB LEU 22 1.449 13.738 3.291 150 HG LEU 22 HG LEU 22 -0.067 15.377 2.556 151 1HD1 LEU 22 1HD1 LEU 22 -0.959 12.687 2.913 152 2HD1 LEU 22 2HD1 LEU 22 -1.312 13.812 1.602 153 3HD1 LEU 22 3HD1 LEU 22 -2.339 13.778 3.035 154 1HD2 LEU 22 1HD2 LEU 22 -0.638 15.792 5.177 155 2HD2 LEU 22 2HD2 LEU 22 -2.123 15.026 4.618 156 3HD2 LEU 22 3HD2 LEU 22 -1.538 16.492 3.832 157 H GLU 23 H GLU 23 2.870 12.326 4.837 158 HA GLU 23 HA GLU 23 2.889 10.233 2.983 159 1HB GLU 23 2HB GLU 23 4.864 10.356 5.244 160 2HB GLU 23 1HB GLU 23 5.134 9.893 3.572 161 1HG GLU 23 2HG GLU 23 5.949 11.922 3.248 162 2HG GLU 23 1HG GLU 23 4.302 12.528 3.414 163 H GLU 24 H GLU 24 2.341 10.326 6.424 164 HA GLU 24 HA GLU 24 2.651 7.679 7.117 165 1HB GLU 24 2HB GLU 24 2.278 9.489 8.717 166 2HB GLU 24 1HB GLU 24 0.607 9.611 8.193 167 1HG GLU 24 2HG GLU 24 0.457 8.340 10.121 168 2HG GLU 24 1HG GLU 24 0.450 7.124 8.847 169 H VAL 25 H VAL 25 -0.336 9.245 5.879 170 HA VAL 25 HA VAL 25 -1.940 6.937 6.111 171 HB VAL 25 HB VAL 25 -3.295 8.074 4.181 172 1HG1 VAL 25 1HG1 VAL 25 -3.047 9.516 6.804 173 2HG1 VAL 25 2HG1 VAL 25 -3.850 7.959 6.616 174 3HG1 VAL 25 3HG1 VAL 25 -4.468 9.377 5.772 175 1HG2 VAL 25 1HG2 VAL 25 -2.940 10.445 3.962 176 2HG2 VAL 25 2HG2 VAL 25 -1.469 9.587 3.506 177 3HG2 VAL 25 3HG2 VAL 25 -1.577 10.380 5.077 178 H PHE 26 H PHE 26 -0.115 8.163 3.318 179 HA PHE 26 HA PHE 26 -1.013 6.350 1.432 180 1HB PHE 26 2HB PHE 26 1.698 7.651 1.662 181 2HB PHE 26 1HB PHE 26 1.094 6.837 0.221 182 HD1 PHE 26 1HD PHE 26 -1.018 7.725 -0.856 183 HD2 PHE 26 2HD PHE 26 1.168 9.880 2.086 184 HE1 PHE 26 1HE PHE 26 -2.123 9.805 -1.565 185 HE2 PHE 26 2HE PHE 26 0.071 11.967 1.381 186 HZ PHE 26 HZ PHE 26 -1.579 11.930 -0.446 187 H GLU 27 H GLU 27 1.966 6.022 3.396 188 HA GLU 27 HA GLU 27 2.542 3.421 2.430 189 1HB GLU 27 2HB GLU 27 4.134 3.288 4.306 190 2HB GLU 27 1HB GLU 27 4.299 4.756 3.380 191 1HG GLU 27 2HG GLU 27 4.502 5.411 5.612 192 2HG GLU 27 1HG GLU 27 2.867 5.869 5.147 193 H ASN 28 H ASN 28 0.598 4.601 5.083 194 HA ASN 28 HA ASN 28 0.315 2.144 6.450 195 1HB ASN 28 2HB ASN 28 -0.305 4.532 7.232 196 2HB ASN 28 1HB ASN 28 -1.824 4.259 6.386 197 1HD2 ASN 28 1HD2 ASN 28 -0.100 3.810 9.237 198 2HD2 ASN 28 2HD2 ASN 28 -1.202 2.743 10.033 199 H ALA 29 H ALA 29 -1.176 3.475 3.609 200 HA ALA 29 HA ALA 29 -3.507 1.915 3.496 201 1HB ALA 29 1HB ALA 29 -2.526 3.925 2.005 202 2HB ALA 29 2HB ALA 29 -3.846 2.877 1.485 203 3HB ALA 29 3HB ALA 29 -2.200 2.561 0.935 204 H ALA 30 H ALA 30 -0.237 1.313 2.284 205 HA ALA 30 HA ALA 30 -0.757 -1.041 0.872 206 1HB ALA 30 1HB ALA 30 1.770 -0.292 2.337 207 2HB ALA 30 2HB ALA 30 1.341 0.215 0.703 208 3HB ALA 30 3HB ALA 30 1.624 -1.491 1.051 209 H LEU 31 H LEU 31 -0.001 -0.528 4.289 210 HA LEU 31 HA LEU 31 0.340 -3.205 5.021 211 1HB LEU 31 2HB LEU 31 0.456 -2.454 7.154 212 2HB LEU 31 1HB LEU 31 0.622 -0.914 6.337 213 HG LEU 31 HG LEU 31 -2.012 -0.864 6.614 214 1HD1 LEU 31 1HD1 LEU 31 -1.066 -2.848 8.652 215 2HD1 LEU 31 2HD1 LEU 31 -2.468 -2.932 7.586 216 3HD1 LEU 31 3HD1 LEU 31 -2.468 -1.823 8.955 217 1HD2 LEU 31 1HD2 LEU 31 -0.563 0.821 7.508 218 2HD2 LEU 31 2HD2 LEU 31 0.002 -0.267 8.774 219 3HD2 LEU 31 3HD2 LEU 31 -1.667 0.305 8.782 220 H ALA 32 H ALA 32 -2.592 -1.298 4.634 221 HA ALA 32 HA ALA 32 -4.443 -2.912 5.906 222 1HB ALA 32 1HB ALA 32 -5.674 -1.201 5.192 223 2HB ALA 32 2HB ALA 32 -5.766 -2.018 3.623 224 3HB ALA 32 3HB ALA 32 -4.510 -0.812 3.922 225 H MET 33 H MET 33 -3.302 -3.141 2.546 226 HA MET 33 HA MET 33 -4.895 -5.418 1.933 227 1HB MET 33 2HB MET 33 -2.816 -3.816 0.588 228 2HB MET 33 1HB MET 33 -2.914 -5.493 0.073 229 1HG MET 33 2HG MET 33 -4.547 -4.896 -1.289 230 2HG MET 33 1HG MET 33 -5.552 -4.628 0.135 231 1HE MET 33 1HE MET 33 -5.003 -2.274 1.582 232 2HE MET 33 2HE MET 33 -6.553 -2.312 0.740 233 3HE MET 33 3HE MET 33 -5.545 -0.866 0.669 234 H PHE 34 H PHE 34 -1.438 -5.008 2.661 235 HA PHE 34 HA PHE 34 -0.708 -7.696 2.425 236 1HB PHE 34 2HB PHE 34 0.487 -5.243 3.406 237 2HB PHE 34 1HB PHE 34 0.963 -6.622 4.391 238 HD1 PHE 34 1HD PHE 34 2.038 -4.696 1.821 239 HD2 PHE 34 2HD PHE 34 1.386 -8.802 2.729 240 HE1 PHE 34 1HE PHE 34 3.700 -5.331 0.122 241 HE2 PHE 34 2HE PHE 34 3.047 -9.445 1.032 242 HZ PHE 34 HZ PHE 34 4.207 -7.708 -0.273 243 H GLU 35 H GLU 35 -1.673 -5.862 5.313 244 HA GLU 35 HA GLU 35 -1.308 -7.820 7.226 245 1HB GLU 35 2HB GLU 35 -3.096 -5.456 6.987 246 2HB GLU 35 1HB GLU 35 -3.436 -6.606 8.272 247 1HG GLU 35 2HG GLU 35 -0.781 -6.281 8.602 248 2HG GLU 35 1HG GLU 35 -1.224 -4.696 7.972 249 H VAL 36 H VAL 36 -3.884 -7.509 4.883 250 HA VAL 36 HA VAL 36 -5.303 -9.759 6.127 251 HB VAL 36 HB VAL 36 -6.291 -8.017 3.878 252 1HG1 VAL 36 1HG1 VAL 36 -8.239 -9.234 5.660 253 2HG1 VAL 36 2HG1 VAL 36 -7.233 -10.427 4.838 254 3HG1 VAL 36 3HG1 VAL 36 -8.151 -9.250 3.900 255 1HG2 VAL 36 1HG2 VAL 36 -7.725 -7.290 6.095 256 2HG2 VAL 36 2HG2 VAL 36 -6.382 -6.380 5.405 257 3HG2 VAL 36 3HG2 VAL 36 -6.098 -7.488 6.746 258 H MET 37 H MET 37 -3.457 -8.887 3.310 259 HA MET 37 HA MET 37 -4.362 -11.051 1.686 260 1HB MET 37 2HB MET 37 -3.556 -9.330 0.389 261 2HB MET 37 1HB MET 37 -2.277 -8.932 1.524 262 1HG MET 37 2HG MET 37 -1.209 -9.757 -0.372 263 2HG MET 37 1HG MET 37 -1.149 -11.059 0.810 264 1HE MET 37 1HE MET 37 -0.720 -12.884 -0.302 265 2HE MET 37 2HE MET 37 -1.566 -13.645 -1.649 266 3HE MET 37 3HE MET 37 -2.244 -13.727 -0.025 267 H THR 38 H THR 38 -1.990 -10.620 4.161 268 HA THR 38 HA THR 38 -1.447 -13.417 4.270 269 HB THR 38 HB THR 38 0.024 -12.819 2.396 270 HG1 THR 38 1HG THR 38 1.888 -13.710 3.265 271 1HG2 THR 38 1HG2 THR 38 2.142 -11.491 3.178 272 2HG2 THR 38 2HG2 THR 38 0.986 -10.733 4.274 273 3HG2 THR 38 3HG2 THR 38 0.728 -10.660 2.531 274 H ASP 39 H ASP 39 0.909 -13.435 5.695 275 HA ASP 39 HA ASP 39 0.341 -11.657 7.972 276 1HB ASP 39 2HB ASP 39 -0.284 -14.201 8.144 277 2HB ASP 39 1HB ASP 39 1.446 -14.407 8.403 278 H THR 40 H THR 40 1.986 -10.222 7.345 279 HA THR 40 HA THR 40 4.647 -11.050 6.807 280 HB THR 40 HB THR 40 5.194 -8.781 6.661 281 HG1 THR 40 1HG THR 40 4.770 -7.734 8.432 282 1HG2 THR 40 1HG2 THR 40 2.455 -7.972 6.288 283 2HG2 THR 40 2HG2 THR 40 2.781 -9.531 5.530 284 3HG2 THR 40 3HG2 THR 40 3.763 -8.126 5.115 285 H SER 41 H SER 41 2.868 -10.569 9.719 286 HA SER 41 HA SER 41 4.953 -9.961 11.502 287 1HB SER 41 2HB SER 41 3.424 -10.868 13.254 288 2HB SER 41 1HB SER 41 2.635 -9.716 12.176 289 HG SER 41 HG SER 41 2.535 -12.517 11.774 290 H LEU 42 H LEU 42 6.651 -11.324 10.638 291 HA LEU 42 HA LEU 42 7.304 -13.493 12.212 292 1HB LEU 42 2HB LEU 42 5.360 -14.268 10.383 293 2HB LEU 42 1HB LEU 42 6.858 -14.799 9.643 294 HG LEU 42 HG LEU 42 6.519 -15.479 12.502 295 1HD1 LEU 42 1HD1 LEU 42 4.297 -15.958 11.874 296 2HD1 LEU 42 2HD1 LEU 42 5.157 -17.495 11.822 297 3HD1 LEU 42 3HD1 LEU 42 4.799 -16.634 10.324 298 1HD2 LEU 42 1HD2 LEU 42 8.400 -16.471 11.724 299 2HD2 LEU 42 2HD2 LEU 42 7.804 -16.554 10.066 300 3HD2 LEU 42 3HD2 LEU 42 7.254 -17.729 11.260 301 H VAL 43 H VAL 43 7.486 -12.042 9.040 302 HA VAL 43 HA VAL 43 10.277 -12.844 8.705 303 HB VAL 43 HB VAL 43 8.295 -11.518 6.870 304 1HG1 VAL 43 1HG1 VAL 43 10.337 -12.113 5.223 305 2HG1 VAL 43 2HG1 VAL 43 11.228 -11.664 6.677 306 3HG1 VAL 43 3HG1 VAL 43 10.095 -10.525 5.950 307 1HG2 VAL 43 1HG2 VAL 43 8.982 -14.227 7.411 308 2HG2 VAL 43 2HG2 VAL 43 9.429 -13.838 5.749 309 3HG2 VAL 43 3HG2 VAL 43 7.772 -13.585 6.299 310 H GLU 44 H GLU 44 11.955 -11.460 8.885 311 HA GLU 44 HA GLU 44 11.467 -8.870 10.048 312 1HB GLU 44 2HB GLU 44 13.729 -10.702 9.771 313 2HB GLU 44 1HB GLU 44 14.181 -9.014 9.572 314 1HG GLU 44 2HG GLU 44 14.162 -8.738 11.761 315 2HG GLU 44 1HG GLU 44 12.459 -9.194 11.816 316 H ALA 45 H ALA 45 13.909 -9.548 7.593 317 HA ALA 45 HA ALA 45 12.821 -8.206 5.423 318 1HB ALA 45 1HB ALA 45 13.328 -6.377 7.433 319 2HB ALA 45 2HB ALA 45 13.098 -6.012 5.724 320 3HB ALA 45 3HB ALA 45 14.725 -6.225 6.368 321 H ALA 46 H ALA 46 13.933 -9.519 4.085 322 HA ALA 46 HA ALA 46 16.806 -9.830 4.446 323 1HB ALA 46 1HB ALA 46 14.964 -11.277 2.552 324 2HB ALA 46 2HB ALA 46 15.421 -11.846 4.159 325 3HB ALA 46 3HB ALA 46 16.646 -11.683 2.900 326 H GLU 47 H GLU 47 14.540 -8.251 2.383 327 HA GLU 47 HA GLU 47 16.772 -7.279 0.742 328 1HB GLU 47 2HB GLU 47 14.088 -7.942 -0.435 329 2HB GLU 47 1HB GLU 47 15.575 -7.562 -1.283 330 1HG GLU 47 2HG GLU 47 15.430 -9.974 0.470 331 2HG GLU 47 1HG GLU 47 14.747 -10.014 -1.152 332 H GLU 48 H GLU 48 16.030 -5.365 -0.631 333 HA GLU 48 HA GLU 48 13.927 -3.816 0.662 334 1HB GLU 48 2HB GLU 48 16.198 -3.309 1.715 335 2HB GLU 48 1HB GLU 48 16.637 -2.589 0.172 336 1HG GLU 48 2HG GLU 48 14.554 -1.146 0.444 337 2HG GLU 48 1HG GLU 48 14.541 -1.697 2.120 338 H ARG 49 H ARG 49 12.925 -2.336 -0.644 339 HA ARG 49 HA ARG 49 13.951 -1.917 -3.351 340 1HB ARG 49 2HB ARG 49 11.156 -2.905 -2.742 341 2HB ARG 49 1HB ARG 49 11.742 -2.420 -4.327 342 1HG ARG 49 2HG ARG 49 13.529 -4.367 -3.305 343 2HG ARG 49 1HG ARG 49 11.884 -4.963 -3.078 344 1HD ARG 49 2HD ARG 49 12.848 -5.624 -5.252 345 2HD ARG 49 1HD ARG 49 11.399 -4.635 -5.420 346 HE ARG 49 HE ARG 49 13.617 -2.942 -5.491 347 1HH1 ARG 49 1HH1 ARG 49 12.176 -5.479 -7.405 348 2HH1 ARG 49 2HH1 ARG 49 12.787 -4.865 -8.906 349 1HH2 ARG 49 1HH2 ARG 49 14.421 -2.133 -7.463 350 2HH2 ARG 49 2HH2 ARG 49 14.061 -2.967 -8.939 351 H ARG 50 H ARG 50 13.237 0.000 -4.321 352 HA ARG 50 HA ARG 50 11.665 1.777 -2.571 353 1HB ARG 50 2HB ARG 50 13.072 3.650 -3.596 354 2HB ARG 50 1HB ARG 50 13.850 2.623 -2.400 355 1HG ARG 50 2HG ARG 50 14.624 1.275 -4.503 356 2HG ARG 50 1HG ARG 50 14.307 2.798 -5.335 357 1HD ARG 50 2HD ARG 50 16.112 2.448 -2.945 358 2HD ARG 50 1HD ARG 50 16.648 2.589 -4.617 359 HE ARG 50 HE ARG 50 16.037 4.856 -4.606 360 1HH1 ARG 50 1HH1 ARG 50 15.458 3.337 -1.508 361 2HH1 ARG 50 2HH1 ARG 50 15.354 4.840 -0.658 362 1HH2 ARG 50 1HH2 ARG 50 15.899 6.825 -3.479 363 2HH2 ARG 50 2HH2 ARG 50 15.602 6.816 -1.772 364 H VAL 51 H VAL 51 10.182 3.119 -3.524 365 HA VAL 51 HA VAL 51 9.802 2.823 -6.431 366 HB VAL 51 HB VAL 51 7.585 3.025 -4.387 367 1HG1 VAL 51 1HG1 VAL 51 7.484 2.420 -7.341 368 2HG1 VAL 51 2HG1 VAL 51 7.067 3.966 -6.603 369 3HG1 VAL 51 3HG1 VAL 51 6.108 2.531 -6.245 370 1HG2 VAL 51 1HG2 VAL 51 9.063 0.843 -4.604 371 2HG2 VAL 51 2HG2 VAL 51 8.029 0.571 -6.006 372 3HG2 VAL 51 3HG2 VAL 51 7.313 0.757 -4.405 373 H GLU 52 H GLU 52 9.010 4.631 -7.544 374 HA GLU 52 HA GLU 52 8.904 7.135 -6.000 375 1HB GLU 52 2HB GLU 52 9.798 8.055 -8.358 376 2HB GLU 52 1HB GLU 52 10.874 7.585 -7.050 377 1HG GLU 52 2HG GLU 52 11.562 5.687 -8.109 378 2HG GLU 52 1HG GLU 52 10.058 5.511 -9.012 379 H ILE 53 H ILE 53 7.317 8.574 -6.557 380 HA ILE 53 HA ILE 53 5.675 7.925 -8.893 381 HB ILE 53 HB ILE 53 4.044 8.772 -6.634 382 1HG1 ILE 53 2HG1 ILE 53 5.405 6.073 -6.480 383 2HG1 ILE 53 1HG1 ILE 53 5.560 7.379 -5.328 384 1HG2 ILE 53 1HG2 ILE 53 2.642 6.941 -7.468 385 2HG2 ILE 53 2HG2 ILE 53 3.933 6.509 -8.595 386 3HG2 ILE 53 3HG2 ILE 53 3.134 8.081 -8.722 387 1HD1 ILE 53 1HD1 ILE 53 3.220 5.599 -5.842 388 2HD1 ILE 53 2HD1 ILE 53 3.028 7.152 -5.030 389 3HD1 ILE 53 3HD1 ILE 53 4.068 5.912 -4.330 390 H THR 54 H THR 54 4.398 9.607 -9.707 391 HA THR 54 HA THR 54 5.026 12.279 -8.638 392 HB THR 54 HB THR 54 4.679 11.498 -11.543 393 HG1 THR 54 1HG THR 54 6.698 10.898 -10.805 394 1HG2 THR 54 1HG2 THR 54 5.772 13.915 -11.682 395 2HG2 THR 54 2HG2 THR 54 4.837 14.123 -10.202 396 3HG2 THR 54 3HG2 THR 54 4.028 13.653 -11.698 397 H SER 55 H SER 55 3.252 13.102 -7.781 398 HA SER 55 HA SER 55 0.667 12.615 -9.104 399 1HB SER 55 2HB SER 55 1.161 12.994 -6.142 400 2HB SER 55 1HB SER 55 -0.406 12.728 -6.906 401 HG SER 55 HG SER 55 1.787 10.933 -6.818 402 H GLU 56 H GLU 56 -0.970 14.343 -8.649 403 HA GLU 56 HA GLU 56 0.139 16.944 -7.983 404 1HB GLU 56 2HB GLU 56 -1.227 16.552 -10.643 405 2HB GLU 56 1HB GLU 56 -0.439 18.007 -10.044 406 1HG GLU 56 2HG GLU 56 1.699 16.649 -9.989 407 2HG GLU 56 1HG GLU 56 0.823 15.439 -10.929 408 H ASP 57 H ASP 57 -1.714 15.383 -6.620 409 HA ASP 57 HA ASP 57 -3.871 17.235 -6.388 410 1HB ASP 57 2HB ASP 57 -4.310 15.496 -8.377 411 2HB ASP 57 1HB ASP 57 -4.918 14.536 -7.031 412 H ARG 58 H ARG 58 -1.818 15.146 -4.998 413 HA ARG 58 HA ARG 58 -1.627 14.219 -2.931 414 1HB ARG 58 2HB ARG 58 -4.022 15.992 -2.482 415 2HB ARG 58 1HB ARG 58 -3.348 14.994 -1.202 416 1HG ARG 58 2HG ARG 58 -1.958 16.653 -0.744 417 2HG ARG 58 1HG ARG 58 -1.165 16.342 -2.289 418 1HD ARG 58 2HD ARG 58 -1.691 18.599 -2.416 419 2HD ARG 58 1HD ARG 58 -3.020 17.833 -3.284 420 HE ARG 58 HE ARG 58 -3.619 18.192 -0.519 421 1HH1 ARG 58 1HH1 ARG 58 -3.479 19.848 -3.588 422 2HH1 ARG 58 2HH1 ARG 58 -4.662 21.032 -3.144 423 1HH2 ARG 58 1HH2 ARG 58 -5.174 19.749 0.066 424 2HH2 ARG 58 2HH2 ARG 58 -5.624 20.977 -1.069 425 H VAL 59 H VAL 59 -5.175 14.356 -3.265 426 HA VAL 59 HA VAL 59 -5.700 11.867 -2.166 427 HB VAL 59 HB VAL 59 -7.444 13.544 -2.580 428 1HG1 VAL 59 1HG1 VAL 59 -6.463 14.004 -4.954 429 2HG1 VAL 59 2HG1 VAL 59 -8.193 14.193 -4.660 430 3HG1 VAL 59 3HG1 VAL 59 -7.586 12.737 -5.451 431 1HG2 VAL 59 1HG2 VAL 59 -9.078 11.995 -2.668 432 2HG2 VAL 59 2HG2 VAL 59 -7.730 10.858 -2.644 433 3HG2 VAL 59 3HG2 VAL 59 -8.483 11.300 -4.176 434 H SER 60 H SER 60 -4.856 12.738 -5.464 435 HA SER 60 HA SER 60 -5.399 10.178 -6.595 436 1HB SER 60 2HB SER 60 -4.096 12.695 -7.493 437 2HB SER 60 1HB SER 60 -3.621 11.220 -8.336 438 HG SER 60 HG SER 60 -5.432 12.227 -9.310 439 H LEU 61 H LEU 61 -2.650 11.611 -4.961 440 HA LEU 61 HA LEU 61 -0.616 9.920 -5.799 441 1HB LEU 61 2HB LEU 61 -0.772 11.931 -4.005 442 2HB LEU 61 1HB LEU 61 -0.689 10.567 -2.913 443 HG LEU 61 HG LEU 61 1.386 11.585 -4.813 444 1HD1 LEU 61 1HD1 LEU 61 1.521 10.624 -1.964 445 2HD1 LEU 61 2HD1 LEU 61 1.353 12.307 -2.463 446 3HD1 LEU 61 3HD1 LEU 61 2.810 11.406 -2.879 447 1HD2 LEU 61 1HD2 LEU 61 1.824 8.938 -3.542 448 2HD2 LEU 61 2HD2 LEU 61 2.495 9.607 -5.028 449 3HD2 LEU 61 3HD2 LEU 61 0.850 8.988 -5.009 450 H LEU 62 H LEU 62 -3.126 9.429 -3.371 451 HA LEU 62 HA LEU 62 -2.161 6.950 -2.391 452 1HB LEU 62 2HB LEU 62 -3.955 8.507 -1.385 453 2HB LEU 62 1HB LEU 62 -5.067 7.727 -2.490 454 HG LEU 62 HG LEU 62 -5.452 6.435 -0.650 455 1HD1 LEU 62 1HD1 LEU 62 -2.963 5.149 -1.791 456 2HD1 LEU 62 2HD1 LEU 62 -4.630 4.871 -2.301 457 3HD1 LEU 62 3HD1 LEU 62 -4.103 4.359 -0.698 458 1HD2 LEU 62 1HD2 LEU 62 -3.548 5.850 0.966 459 2HD2 LEU 62 2HD2 LEU 62 -4.143 7.510 0.958 460 3HD2 LEU 62 3HD2 LEU 62 -2.634 7.110 0.138 461 H TYR 63 H TYR 63 -4.597 7.787 -4.837 462 HA TYR 63 HA TYR 63 -5.349 5.208 -5.559 463 1HB TYR 63 2HB TYR 63 -6.616 7.115 -6.325 464 2HB TYR 63 1HB TYR 63 -5.230 7.731 -7.219 465 HD1 TYR 63 1HD TYR 63 -5.996 7.756 -9.433 466 HD2 TYR 63 2HD TYR 63 -6.513 4.241 -7.092 467 HE1 TYR 63 1HE TYR 63 -6.739 6.540 -11.435 468 HE2 TYR 63 2HE TYR 63 -7.257 3.015 -9.088 469 HH TYR 63 HH TYR 63 -8.141 3.389 -11.260 470 H ASP 64 H ASP 64 -2.596 7.140 -6.543 471 HA ASP 64 HA ASP 64 -1.755 5.133 -8.478 472 1HB ASP 64 2HB ASP 64 -1.573 7.761 -8.667 473 2HB ASP 64 1HB ASP 64 -0.076 7.503 -7.776 474 H TRP 65 H TRP 65 -1.169 5.981 -5.193 475 HA TRP 65 HA TRP 65 1.473 4.937 -5.020 476 1HB TRP 65 2HB TRP 65 0.873 6.481 -3.330 477 2HB TRP 65 1HB TRP 65 -0.600 5.599 -2.941 478 HD1 TRP 65 HD TRP 65 -0.094 5.067 -0.435 479 HE1 TRP 65 1HE TRP 65 1.666 3.623 0.763 480 HE3 TRP 65 3HE TRP 65 3.054 4.161 -4.366 481 HZ2 TRP 65 2HZ TRP 65 4.064 2.285 0.139 482 HZ3 TRP 65 3HZ TRP 65 5.057 2.790 -3.978 483 HH2 TRP 65 HH TRP 65 5.552 1.872 -1.772 484 H LEU 66 H LEU 66 -1.683 3.655 -3.978 485 HA LEU 66 HA LEU 66 -0.601 1.124 -3.265 486 1HB LEU 66 2HB LEU 66 -3.098 2.462 -3.043 487 2HB LEU 66 1HB LEU 66 -3.393 0.915 -3.814 488 HG LEU 66 HG LEU 66 -1.867 1.204 -1.226 489 1HD1 LEU 66 1HD1 LEU 66 -4.675 1.493 -1.701 490 2HD1 LEU 66 2HD1 LEU 66 -3.775 1.609 -0.191 491 3HD1 LEU 66 3HD1 LEU 66 -4.369 0.045 -0.744 492 1HD2 LEU 66 1HD2 LEU 66 -1.489 -0.847 -2.565 493 2HD2 LEU 66 2HD2 LEU 66 -3.217 -1.185 -2.477 494 3HD2 LEU 66 3HD2 LEU 66 -2.246 -1.162 -1.004 495 H ASP 67 H ASP 67 -2.284 2.351 -6.132 496 HA ASP 67 HA ASP 67 -2.610 -0.057 -7.499 497 1HB ASP 67 2HB ASP 67 -3.503 2.176 -8.230 498 2HB ASP 67 1HB ASP 67 -1.876 2.603 -8.752 499 H GLU 68 H GLU 68 0.193 1.971 -7.025 500 HA GLU 68 HA GLU 68 1.906 0.749 -8.917 501 1HB GLU 68 2HB GLU 68 2.075 2.878 -7.149 502 2HB GLU 68 1HB GLU 68 3.215 1.718 -6.484 503 1HG GLU 68 2HG GLU 68 4.578 2.878 -7.893 504 2HG GLU 68 1HG GLU 68 4.049 1.579 -8.962 505 H LEU 69 H LEU 69 1.035 0.078 -5.595 506 HA LEU 69 HA LEU 69 2.978 -1.895 -5.060 507 1HB LEU 69 2HB LEU 69 0.653 -0.780 -3.764 508 2HB LEU 69 1HB LEU 69 0.689 -2.521 -3.566 509 HG LEU 69 HG LEU 69 3.291 -1.744 -2.990 510 1HD1 LEU 69 1HD1 LEU 69 1.674 0.027 -1.265 511 2HD1 LEU 69 2HD1 LEU 69 2.009 0.599 -2.899 512 3HD1 LEU 69 3HD1 LEU 69 3.341 0.188 -1.817 513 1HD2 LEU 69 1HD2 LEU 69 2.657 -2.297 -0.666 514 2HD2 LEU 69 2HD2 LEU 69 2.073 -3.479 -1.838 515 3HD2 LEU 69 3HD2 LEU 69 0.962 -2.292 -1.155 516 H LEU 70 H LEU 70 -0.137 -1.941 -6.622 517 HA LEU 70 HA LEU 70 -0.721 -4.654 -6.552 518 1HB LEU 70 2HB LEU 70 -2.030 -2.566 -7.477 519 2HB LEU 70 1HB LEU 70 -1.328 -3.071 -9.002 520 HG LEU 70 HG LEU 70 -3.549 -3.987 -8.800 521 1HD1 LEU 70 1HD1 LEU 70 -3.088 -6.275 -9.240 522 2HD1 LEU 70 2HD1 LEU 70 -1.595 -6.222 -8.304 523 3HD1 LEU 70 3HD1 LEU 70 -1.710 -5.346 -9.830 524 1HD2 LEU 70 1HD2 LEU 70 -4.251 -4.259 -6.682 525 2HD2 LEU 70 2HD2 LEU 70 -2.633 -4.614 -6.080 526 3HD2 LEU 70 3HD2 LEU 70 -3.580 -5.879 -6.861 527 H PHE 71 H PHE 71 1.139 -2.842 -8.987 528 HA PHE 71 HA PHE 71 1.651 -5.106 -10.623 529 1HB PHE 71 2HB PHE 71 2.645 -2.301 -10.490 530 2HB PHE 71 1HB PHE 71 3.592 -3.468 -11.407 531 HD1 PHE 71 1HD PHE 71 0.345 -1.766 -11.158 532 HD2 PHE 71 2HD PHE 71 2.819 -4.325 -13.492 533 HE1 PHE 71 1HE PHE 71 -1.173 -1.481 -13.073 534 HE2 PHE 71 2HE PHE 71 1.305 -4.042 -15.412 535 HZ PHE 71 HZ PHE 71 -0.693 -2.619 -15.204 536 H ILE 72 H ILE 72 3.745 -3.325 -8.347 537 HA ILE 72 HA ILE 72 5.991 -4.955 -8.622 538 HB ILE 72 HB ILE 72 6.696 -4.118 -6.394 539 1HG1 ILE 72 2HG1 ILE 72 4.371 -2.278 -6.296 540 2HG1 ILE 72 1HG1 ILE 72 4.091 -3.935 -5.773 541 1HG2 ILE 72 1HG2 ILE 72 6.307 -1.583 -7.173 542 2HG2 ILE 72 2HG2 ILE 72 5.880 -2.420 -8.666 543 3HG2 ILE 72 3HG2 ILE 72 7.470 -2.664 -7.940 544 1HD1 ILE 72 1HD1 ILE 72 4.664 -2.929 -3.802 545 2HD1 ILE 72 2HD1 ILE 72 5.812 -1.831 -4.570 546 3HD1 ILE 72 3HD1 ILE 72 6.233 -3.529 -4.340 547 H HIS 73 H HIS 73 3.115 -5.374 -6.649 548 HA HIS 73 HA HIS 73 3.940 -7.239 -4.809 549 1HB HIS 73 2HB HIS 73 1.499 -6.248 -5.631 550 2HB HIS 73 1HB HIS 73 1.371 -7.959 -6.018 551 HD1 HIS 73 1HD HIS 73 3.191 -8.790 -3.475 552 HD2 HIS 73 2HD HIS 73 -0.259 -6.475 -3.470 553 HE1 HIS 73 1HE HIS 73 2.255 -8.984 -1.150 554 HE2 HIS 73 2HE HIS 73 0.122 -7.644 -1.195 555 H ASP 74 H ASP 74 2.765 -7.931 -8.112 556 HA ASP 74 HA ASP 74 3.385 -10.719 -7.890 557 1HB ASP 74 2HB ASP 74 1.768 -9.313 -9.558 558 2HB ASP 74 1HB ASP 74 3.175 -9.528 -10.596 559 H THR 75 H THR 75 5.077 -7.869 -8.934 560 HA THR 75 HA THR 75 7.145 -9.171 -10.353 561 HB THR 75 HB THR 75 7.230 -6.561 -8.817 562 HG1 THR 75 1HG THR 75 5.870 -6.071 -10.355 563 1HG2 THR 75 1HG2 THR 75 9.465 -7.535 -9.455 564 2HG2 THR 75 2HG2 THR 75 9.107 -5.923 -10.077 565 3HG2 THR 75 3HG2 THR 75 8.970 -7.329 -11.135 566 H GLU 76 H GLU 76 6.318 -8.991 -7.061 567 HA GLU 76 HA GLU 76 8.353 -10.785 -6.322 568 1HB GLU 76 2HB GLU 76 9.384 -9.274 -4.558 569 2HB GLU 76 1HB GLU 76 9.853 -8.956 -6.222 570 1HG GLU 76 2HG GLU 76 9.147 -6.868 -6.066 571 2HG GLU 76 1HG GLU 76 7.539 -7.409 -5.588 572 H PHE 77 H PHE 77 6.115 -11.596 -5.988 573 HA PHE 77 HA PHE 77 4.525 -10.658 -3.861 574 1HB PHE 77 2HB PHE 77 4.312 -12.660 -5.773 575 2HB PHE 77 1HB PHE 77 4.367 -13.540 -4.249 576 HD1 PHE 77 1HD PHE 77 2.565 -10.899 -6.103 577 HD2 PHE 77 2HD PHE 77 2.515 -13.589 -2.807 578 HE1 PHE 77 1HE PHE 77 0.187 -10.391 -5.731 579 HE2 PHE 77 2HE PHE 77 0.137 -13.087 -2.429 580 HZ PHE 77 HZ PHE 77 -1.031 -11.486 -3.892 581 H ILE 78 H ILE 78 5.662 -10.269 -2.018 582 HA ILE 78 HA ILE 78 7.020 -12.578 -0.804 583 HB ILE 78 HB ILE 78 8.452 -11.125 0.386 584 1HG1 ILE 78 2HG1 ILE 78 6.650 -9.398 0.886 585 2HG1 ILE 78 1HG1 ILE 78 8.253 -8.759 0.550 586 1HG2 ILE 78 1HG2 ILE 78 8.133 -10.781 -2.498 587 2HG2 ILE 78 2HG2 ILE 78 9.562 -11.186 -1.553 588 3HG2 ILE 78 3HG2 ILE 78 9.064 -9.503 -1.719 589 1HD1 ILE 78 1HD1 ILE 78 7.338 -8.541 -1.883 590 2HD1 ILE 78 2HD1 ILE 78 6.932 -7.342 -0.659 591 3HD1 ILE 78 3HD1 ILE 78 5.771 -8.599 -1.078 592 H LEU 79 H LEU 79 6.822 -12.954 1.427 593 HA LEU 79 HA LEU 79 4.188 -12.778 2.400 594 1HB LEU 79 2HB LEU 79 6.204 -14.418 2.910 595 2HB LEU 79 1HB LEU 79 6.445 -13.325 4.258 596 HG LEU 79 HG LEU 79 5.135 -15.128 5.064 597 1HD1 LEU 79 1HD1 LEU 79 3.224 -12.872 4.484 598 2HD1 LEU 79 2HD1 LEU 79 4.430 -12.866 5.771 599 3HD1 LEU 79 3HD1 LEU 79 3.117 -14.042 5.797 600 1HD2 LEU 79 1HD2 LEU 79 2.786 -15.380 3.851 601 2HD2 LEU 79 2HD2 LEU 79 4.209 -16.290 3.345 602 3HD2 LEU 79 3HD2 LEU 79 3.736 -14.835 2.468 603 H PHE 80 H PHE 80 7.148 -11.054 3.395 604 HA PHE 80 HA PHE 80 5.412 -9.237 4.932 605 1HB PHE 80 2HB PHE 80 6.746 -10.328 6.533 606 2HB PHE 80 1HB PHE 80 8.171 -10.276 5.505 607 HD1 PHE 80 1HD PHE 80 6.441 -8.730 8.195 608 HD2 PHE 80 2HD PHE 80 9.193 -7.962 5.044 609 HE1 PHE 80 1HE PHE 80 7.210 -6.710 9.365 610 HE2 PHE 80 2HE PHE 80 9.968 -5.939 6.209 611 HZ PHE 80 HZ PHE 80 8.977 -5.310 8.374 612 H SER 81 H SER 81 5.812 -7.051 4.893 613 HA SER 81 HA SER 81 7.960 -6.015 3.298 614 1HB SER 81 2HB SER 81 6.270 -6.526 1.578 615 2HB SER 81 1HB SER 81 5.104 -5.519 2.437 616 HG SER 81 HG SER 81 5.964 -4.200 0.928 617 H LYS 82 H LYS 82 8.636 -4.120 4.077 618 HA LYS 82 HA LYS 82 7.052 -2.843 6.171 619 1HB LYS 82 2HB LYS 82 9.619 -3.394 6.249 620 2HB LYS 82 1HB LYS 82 9.774 -1.912 5.316 621 1HG LYS 82 2HG LYS 82 9.571 -0.675 7.139 622 2HG LYS 82 1HG LYS 82 8.058 -1.472 7.572 623 1HD LYS 82 2HD LYS 82 9.321 -3.288 8.625 624 2HD LYS 82 1HD LYS 82 10.832 -2.487 8.192 625 1HE LYS 82 2HE LYS 82 10.578 -0.851 9.769 626 2HE LYS 82 1HE LYS 82 8.817 -0.937 9.732 627 1HZ LYS 82 1HZ LYS 82 9.218 -1.925 11.720 628 2HZ LYS 82 2HZ LYS 82 10.725 -2.540 11.262 629 3HZ LYS 82 3HZ LYS 82 9.308 -3.301 10.739 630 H PHE 83 H PHE 83 6.418 -0.634 6.064 631 HA PHE 83 HA PHE 83 6.540 0.459 3.325 632 1HB PHE 83 2HB PHE 83 4.368 1.090 5.312 633 2HB PHE 83 1HB PHE 83 4.363 1.346 3.571 634 HD1 PHE 83 1HD PHE 83 4.489 -0.785 2.101 635 HD2 PHE 83 2HD PHE 83 3.362 -0.781 6.204 636 HE1 PHE 83 1HE PHE 83 3.364 -2.952 1.789 637 HE2 PHE 83 2HE PHE 83 2.236 -2.947 5.900 638 HZ PHE 83 HZ PHE 83 2.235 -4.035 3.691 639 H LYS 84 H LYS 84 7.586 2.180 3.047 640 HA LYS 84 HA LYS 84 7.640 4.277 5.081 641 1HB LYS 84 2HB LYS 84 9.853 4.076 5.403 642 2HB LYS 84 1HB LYS 84 9.885 2.687 4.332 643 1HG LYS 84 2HG LYS 84 10.530 3.966 2.496 644 2HG LYS 84 1HG LYS 84 10.020 5.477 3.248 645 1HD LYS 84 2HD LYS 84 12.485 5.190 3.185 646 2HD LYS 84 1HD LYS 84 11.840 5.382 4.815 647 1HE LYS 84 2HE LYS 84 11.843 2.847 4.956 648 2HE LYS 84 1HE LYS 84 12.803 2.864 3.477 649 1HZ LYS 84 1HZ LYS 84 14.054 2.767 5.656 650 2HZ LYS 84 2HZ LYS 84 13.608 4.382 5.885 651 3HZ LYS 84 3HZ LYS 84 14.557 3.948 4.553 652 H VAL 85 H VAL 85 7.292 6.303 4.168 653 HA VAL 85 HA VAL 85 7.331 6.390 1.234 654 HB VAL 85 HB VAL 85 5.088 6.157 1.465 655 1HG1 VAL 85 1HG1 VAL 85 3.781 6.640 3.297 656 2HG1 VAL 85 2HG1 VAL 85 4.805 7.978 3.812 657 3HG1 VAL 85 3HG1 VAL 85 5.340 6.315 4.046 658 1HG2 VAL 85 1HG2 VAL 85 5.533 8.260 0.307 659 2HG2 VAL 85 2HG2 VAL 85 5.354 9.124 1.833 660 3HG2 VAL 85 3HG2 VAL 85 3.980 8.262 1.143 661 H LYS 86 H LYS 86 7.613 8.319 0.251 662 HA LYS 86 HA LYS 86 8.596 10.539 1.911 663 1HB LYS 86 2HB LYS 86 10.230 8.884 0.579 664 2HB LYS 86 1HB LYS 86 9.814 9.962 -0.740 665 1HG LYS 86 2HG LYS 86 10.543 11.880 0.693 666 2HG LYS 86 1HG LYS 86 11.132 10.697 1.863 667 1HD LYS 86 2HD LYS 86 13.056 10.988 0.690 668 2HD LYS 86 1HD LYS 86 12.325 9.741 -0.323 669 1HE LYS 86 2HE LYS 86 11.490 11.412 -1.849 670 2HE LYS 86 1HE LYS 86 12.061 12.707 -0.798 671 1HZ LYS 86 1HZ LYS 86 13.663 12.512 -2.471 672 2HZ LYS 86 2HZ LYS 86 13.668 10.822 -2.414 673 3HZ LYS 86 3HZ LYS 86 14.348 11.713 -1.147 674 H ILE 87 H ILE 87 7.398 12.333 1.486 675 HA ILE 87 HA ILE 87 6.307 12.601 -1.237 676 HB ILE 87 HB ILE 87 5.120 13.883 1.217 677 1HG1 ILE 87 2HG1 ILE 87 4.424 11.278 -0.154 678 2HG1 ILE 87 1HG1 ILE 87 4.917 11.498 1.520 679 1HG2 ILE 87 1HG2 ILE 87 3.150 14.096 -0.302 680 2HG2 ILE 87 2HG2 ILE 87 4.166 13.501 -1.616 681 3HG2 ILE 87 3HG2 ILE 87 4.560 15.023 -0.814 682 1HD1 ILE 87 1HD1 ILE 87 2.846 12.587 2.044 683 2HD1 ILE 87 2HD1 ILE 87 2.504 11.065 1.223 684 3HD1 ILE 87 3HD1 ILE 87 2.369 12.587 0.344 685 H ASP 88 H ASP 88 7.035 14.234 -2.412 686 HA ASP 88 HA ASP 88 8.098 16.598 -1.029 687 1HB ASP 88 2HB ASP 88 9.938 15.104 -1.796 688 2HB ASP 88 1HB ASP 88 9.340 15.267 -3.446 689 H GLU 89 H GLU 89 7.138 18.402 -1.694 690 HA GLU 89 HA GLU 89 5.434 18.403 -4.030 691 1HB GLU 89 2HB GLU 89 5.157 20.852 -3.415 692 2HB GLU 89 1HB GLU 89 4.639 19.697 -2.195 693 1HG GLU 89 2HG GLU 89 6.303 20.258 -0.751 694 2HG GLU 89 1HG GLU 89 7.419 20.711 -2.039 695 H LYS 90 H LYS 90 6.226 18.567 -5.956 696 HA LYS 90 HA LYS 90 8.857 19.556 -6.440 697 1HB LYS 90 2HB LYS 90 6.640 18.627 -8.263 698 2HB LYS 90 1HB LYS 90 8.184 19.200 -8.874 699 1HG LYS 90 2HG LYS 90 7.585 16.735 -7.295 700 2HG LYS 90 1HG LYS 90 8.435 16.897 -8.832 701 1HD LYS 90 2HD LYS 90 10.018 18.385 -7.209 702 2HD LYS 90 1HD LYS 90 9.430 17.156 -6.073 703 1HE LYS 90 2HE LYS 90 10.289 16.117 -8.687 704 2HE LYS 90 1HE LYS 90 11.575 16.852 -7.729 705 1HZ LYS 90 1HZ LYS 90 11.584 15.138 -6.333 706 2HZ LYS 90 2HZ LYS 90 10.642 14.310 -7.467 707 3HZ LYS 90 3HZ LYS 90 9.899 15.119 -6.182 708 H ASP 91 H ASP 91 8.716 20.950 -8.766 709 HA ASP 91 HA ASP 91 8.348 23.532 -7.873 710 1HB ASP 91 2HB ASP 91 9.660 22.654 -9.914 711 2HB ASP 91 1HB ASP 91 8.140 22.831 -10.785 712 H ASP 92 H ASP 92 5.875 21.449 -8.191 713 HA ASP 92 HA ASP 92 3.823 23.250 -7.946 714 1HB ASP 92 2HB ASP 92 2.736 23.078 -10.219 715 2HB ASP 92 1HB ASP 92 4.175 24.087 -10.164 716 H GLY 93 H GLY 93 4.893 20.179 -9.230 717 1HA GLY 93 2HA GLY 93 2.300 18.942 -8.754 718 2HA GLY 93 1HA GLY 93 3.705 18.172 -9.471 719 H LEU 94 H LEU 94 3.259 16.383 -8.128 720 HA LEU 94 HA LEU 94 4.333 16.677 -5.421 721 1HB LEU 94 2HB LEU 94 1.655 16.000 -6.163 722 2HB LEU 94 1HB LEU 94 2.393 14.597 -5.427 723 HG LEU 94 HG LEU 94 1.073 16.534 -4.083 724 1HD1 LEU 94 1HD1 LEU 94 3.335 14.824 -3.074 725 2HD1 LEU 94 2HD1 LEU 94 1.639 14.354 -3.221 726 3HD1 LEU 94 3HD1 LEU 94 2.115 15.598 -2.063 727 1HD2 LEU 94 1HD2 LEU 94 2.937 18.147 -4.627 728 2HD2 LEU 94 2HD2 LEU 94 3.963 17.181 -3.566 729 3HD2 LEU 94 3HD2 LEU 94 2.530 17.980 -2.920 730 H HIS 95 H HIS 95 5.529 14.929 -4.657 731 HA HIS 95 HA HIS 95 5.940 12.697 -6.543 732 1HB HIS 95 2HB HIS 95 7.865 14.661 -5.632 733 2HB HIS 95 1HB HIS 95 8.360 13.041 -5.153 734 HD1 HIS 95 1HD HIS 95 7.431 14.993 -8.264 735 HD2 HIS 95 2HD HIS 95 9.464 11.543 -7.155 736 HE1 HIS 95 1HE HIS 95 8.523 14.152 -10.366 737 HE2 HIS 95 2HE HIS 95 9.825 12.117 -9.650 738 H LEU 96 H LEU 96 6.263 10.694 -5.666 739 HA LEU 96 HA LEU 96 6.047 10.463 -2.738 740 1HB LEU 96 2HB LEU 96 3.897 10.047 -3.813 741 2HB LEU 96 1HB LEU 96 4.617 8.841 -4.838 742 HG LEU 96 HG LEU 96 3.382 7.699 -3.169 743 1HD1 LEU 96 1HD1 LEU 96 6.111 7.498 -1.980 744 2HD1 LEU 96 2HD1 LEU 96 5.819 6.940 -3.626 745 3HD1 LEU 96 3HD1 LEU 96 4.923 6.234 -2.284 746 1HD2 LEU 96 1HD2 LEU 96 4.828 9.377 -1.154 747 2HD2 LEU 96 2HD2 LEU 96 3.707 8.063 -0.795 748 3HD2 LEU 96 3HD2 LEU 96 3.133 9.511 -1.619 749 H THR 97 H THR 97 7.621 9.251 -1.848 750 HA THR 97 HA THR 97 8.928 7.236 -3.552 751 HB THR 97 HB THR 97 10.636 8.401 -1.463 752 HG1 THR 97 1HG THR 97 9.842 9.928 -3.716 753 1HG2 THR 97 1HG2 THR 97 11.381 8.346 -4.324 754 2HG2 THR 97 2HG2 THR 97 11.170 6.806 -3.493 755 3HG2 THR 97 3HG2 THR 97 12.340 7.980 -2.890 756 H GLY 98 H GLY 98 8.657 5.302 -2.756 757 1HA GLY 98 2HA GLY 98 8.399 4.984 0.155 758 2HA GLY 98 1HA GLY 98 7.356 4.119 -0.954 759 H THR 99 H THR 99 9.157 3.127 1.128 760 HA THR 99 HA THR 99 10.979 1.494 -0.521 761 HB THR 99 HB THR 99 11.294 2.106 2.413 762 HG1 THR 99 1HG THR 99 12.911 3.601 1.662 763 1HG2 THR 99 1HG2 THR 99 12.770 0.479 0.526 764 2HG2 THR 99 2HG2 THR 99 12.876 0.558 2.285 765 3HG2 THR 99 3HG2 THR 99 13.780 1.704 1.295 766 H ALA 100 H ALA 100 11.036 -0.707 -0.209 767 HA ALA 100 HA ALA 100 9.259 -1.864 1.825 768 1HB ALA 100 1HB ALA 100 8.406 -3.493 0.213 769 2HB ALA 100 2HB ALA 100 9.332 -2.713 -1.071 770 3HB ALA 100 3HB ALA 100 8.016 -1.844 -0.279 771 H MET 101 H MET 101 10.142 -3.562 2.894 772 HA MET 101 HA MET 101 12.515 -4.852 1.723 773 1HB MET 101 2HB MET 101 13.510 -4.922 4.012 774 2HB MET 101 1HB MET 101 13.358 -3.299 3.353 775 1HG MET 101 2HG MET 101 11.462 -2.842 4.724 776 2HG MET 101 1HG MET 101 11.376 -4.521 5.255 777 1HE MET 101 1HE MET 101 13.481 -1.133 7.178 778 2HE MET 101 2HE MET 101 12.274 -1.161 5.893 779 3HE MET 101 3HE MET 101 13.987 -1.290 5.495 780 H GLY 102 H GLY 102 12.974 -7.022 2.517 781 1HA GLY 102 2HA GLY 102 12.349 -8.986 3.701 782 2HA GLY 102 1HA GLY 102 10.759 -8.294 3.964 783 H GLU 103 H GLU 103 12.853 -9.222 1.241 784 HA GLU 103 HA GLU 103 10.455 -10.226 -0.112 785 1HB GLU 103 2HB GLU 103 11.464 -8.529 -1.426 786 2HB GLU 103 1HB GLU 103 13.069 -9.188 -1.172 787 1HG GLU 103 2HG GLU 103 12.426 -11.171 -2.501 788 2HG GLU 103 1HG GLU 103 10.873 -10.404 -2.828 789 H GLU 104 H GLU 104 10.177 -12.333 -0.095 790 HA GLU 104 HA GLU 104 11.960 -14.226 -1.031 791 1HB GLU 104 2HB GLU 104 12.774 -13.407 1.493 792 2HB GLU 104 1HB GLU 104 11.892 -14.893 1.810 793 1HG GLU 104 2HG GLU 104 13.830 -15.901 1.374 794 2HG GLU 104 1HG GLU 104 13.424 -15.613 -0.317 795 H ILE 105 H ILE 105 9.965 -14.829 -1.972 796 HA ILE 105 HA ILE 105 7.774 -15.687 -0.316 797 HB ILE 105 HB ILE 105 7.420 -14.697 -2.576 798 1HG1 ILE 105 2HG1 ILE 105 6.291 -17.448 -2.749 799 2HG1 ILE 105 1HG1 ILE 105 5.929 -16.515 -1.302 800 1HG2 ILE 105 1HG2 ILE 105 8.072 -17.313 -3.830 801 2HG2 ILE 105 2HG2 ILE 105 9.396 -16.201 -3.477 802 3HG2 ILE 105 3HG2 ILE 105 8.073 -15.692 -4.527 803 1HD1 ILE 105 1HD1 ILE 105 5.491 -15.354 -4.021 804 2HD1 ILE 105 2HD1 ILE 105 4.744 -14.911 -2.487 805 3HD1 ILE 105 3HD1 ILE 105 4.299 -16.421 -3.281 806 H LYS 106 H LYS 106 7.182 -17.721 0.233 807 HA LYS 106 HA LYS 106 9.105 -19.856 -0.380 808 1HB LYS 106 2HB LYS 106 7.278 -19.311 1.924 809 2HB LYS 106 1HB LYS 106 7.723 -20.974 1.570 810 1HG LYS 106 2HG LYS 106 10.144 -20.121 1.610 811 2HG LYS 106 1HG LYS 106 9.474 -18.700 2.414 812 1HD LYS 106 2HD LYS 106 9.791 -19.886 4.296 813 2HD LYS 106 1HD LYS 106 8.308 -20.717 3.821 814 1HE LYS 106 2HE LYS 106 9.648 -22.532 4.107 815 2HE LYS 106 1HE LYS 106 10.033 -22.176 2.425 816 1HZ LYS 106 1HZ LYS 106 11.869 -22.485 4.318 817 2HZ LYS 106 2HZ LYS 106 11.651 -20.810 4.413 818 3HZ LYS 106 3HZ LYS 106 12.107 -21.520 2.947 819 H GLU 107 H GLU 107 8.104 -22.093 -0.495 820 HA GLU 107 HA GLU 107 6.329 -22.217 -2.655 821 1HB GLU 107 2HB GLU 107 7.238 -24.269 -0.648 822 2HB GLU 107 1HB GLU 107 6.101 -24.675 -1.925 823 1HG GLU 107 2HG GLU 107 7.759 -24.949 -3.357 824 2HG GLU 107 1HG GLU 107 8.308 -23.298 -3.078 825 H GLY 108 H GLY 108 5.770 -22.663 0.822 826 1HA GLY 108 2HA GLY 108 2.873 -22.746 0.293 827 2HA GLY 108 1HA GLY 108 3.653 -23.312 1.763 828 H HIS 109 H HIS 109 3.349 -20.312 -0.133 829 HA HIS 109 HA HIS 109 3.844 -18.558 1.997 830 1HB HIS 109 2HB HIS 109 3.263 -18.349 -0.748 831 2HB HIS 109 1HB HIS 109 2.031 -17.398 0.074 832 HD1 HIS 109 1HD HIS 109 3.139 -15.259 -0.955 833 HD2 HIS 109 2HD HIS 109 5.536 -17.366 1.704 834 HE1 HIS 109 1HE HIS 109 5.034 -13.710 -0.389 835 HE2 HIS 109 2HE HIS 109 6.546 -15.061 1.106 836 H GLU 110 H GLU 110 2.505 -17.412 3.371 837 HA GLU 110 HA GLU 110 0.017 -18.714 4.046 838 1HB GLU 110 2HB GLU 110 1.820 -16.735 5.319 839 2HB GLU 110 1HB GLU 110 0.120 -16.627 5.752 840 1HG GLU 110 2HG GLU 110 0.260 -18.394 7.081 841 2HG GLU 110 1HG GLU 110 1.048 -19.358 5.833 842 H ARG 111 H ARG 111 -1.726 -18.234 2.868 843 HA ARG 111 HA ARG 111 -2.162 -15.433 2.075 844 1HB ARG 111 2HB ARG 111 -3.753 -17.682 0.917 845 2HB ARG 111 1HB ARG 111 -3.300 -16.147 0.191 846 1HG ARG 111 2HG ARG 111 -1.305 -18.318 0.766 847 2HG ARG 111 1HG ARG 111 -2.200 -18.213 -0.751 848 1HD ARG 111 2HD ARG 111 -0.747 -15.806 0.241 849 2HD ARG 111 1HD ARG 111 0.173 -17.116 -0.495 850 HE ARG 111 HE ARG 111 -2.104 -16.138 -2.007 851 1HH1 ARG 111 1HH1 ARG 111 1.350 -16.013 -1.493 852 2HH1 ARG 111 2HH1 ARG 111 1.684 -15.374 -3.067 853 1HH2 ARG 111 1HH2 ARG 111 -1.661 -15.293 -4.073 854 2HH2 ARG 111 2HH2 ARG 111 -0.023 -14.962 -4.528 855 H ARG 112 H ARG 112 -3.974 -14.360 2.692 856 HA ARG 112 HA ARG 112 -5.841 -15.820 4.443 857 1HB ARG 112 2HB ARG 112 -4.400 -13.324 4.798 858 2HB ARG 112 1HB ARG 112 -6.134 -13.099 4.992 859 1HG ARG 112 2HG ARG 112 -6.224 -14.734 6.729 860 2HG ARG 112 1HG ARG 112 -4.546 -15.201 6.444 861 1HD ARG 112 2HD ARG 112 -3.911 -12.832 7.023 862 2HD ARG 112 1HD ARG 112 -5.576 -12.596 7.549 863 HE ARG 112 HE ARG 112 -3.509 -14.046 8.925 864 1HH1 ARG 112 1HH1 ARG 112 -6.953 -13.644 8.536 865 2HH1 ARG 112 2HH1 ARG 112 -7.331 -14.278 10.102 866 1HH2 ARG 112 1HH2 ARG 112 -4.003 -14.880 10.986 867 2HH2 ARG 112 2HH2 ARG 112 -5.655 -14.979 11.494 868 H ASP 113 H ASP 113 -6.013 -12.623 2.902 869 HA ASP 113 HA ASP 113 -8.702 -13.259 1.971 870 1HB ASP 113 2HB ASP 113 -8.275 -11.112 3.138 871 2HB ASP 113 1HB ASP 113 -7.186 -10.642 1.836 872 H GLU 114 H GLU 114 -9.356 -12.728 -0.235 873 HA GLU 114 HA GLU 114 -7.148 -13.078 -2.156 874 1HB GLU 114 2HB GLU 114 -8.974 -14.970 -1.686 875 2HB GLU 114 1HB GLU 114 -9.874 -14.026 -2.866 876 1HG GLU 114 2HG GLU 114 -7.773 -14.200 -4.320 877 2HG GLU 114 1HG GLU 114 -7.279 -15.479 -3.211 878 H VAL 115 H VAL 115 -6.866 -11.301 -3.299 879 HA VAL 115 HA VAL 115 -9.216 -9.679 -4.058 880 HB VAL 115 HB VAL 115 -7.710 -8.359 -2.732 881 1HG1 VAL 115 1HG1 VAL 115 -5.352 -8.016 -3.417 882 2HG1 VAL 115 2HG1 VAL 115 -5.552 -9.293 -4.616 883 3HG1 VAL 115 3HG1 VAL 115 -5.700 -9.665 -2.899 884 1HG2 VAL 115 1HG2 VAL 115 -7.107 -6.586 -4.306 885 2HG2 VAL 115 2HG2 VAL 115 -8.707 -7.234 -4.659 886 3HG2 VAL 115 3HG2 VAL 115 -7.326 -7.701 -5.652 887 H LYS 116 H LYS 116 -9.712 -9.529 -6.144 888 HA LYS 116 HA LYS 116 -8.021 -10.883 -8.076 889 1HB LYS 116 2HB LYS 116 -10.848 -10.154 -7.883 890 2HB LYS 116 1HB LYS 116 -10.171 -9.880 -9.481 891 1HG LYS 116 2HG LYS 116 -9.798 -12.487 -8.052 892 2HG LYS 116 1HG LYS 116 -11.243 -12.146 -9.007 893 1HD LYS 116 2HD LYS 116 -9.249 -11.388 -10.713 894 2HD LYS 116 1HD LYS 116 -8.509 -12.753 -9.873 895 1HE LYS 116 2HE LYS 116 -10.602 -14.057 -10.385 896 2HE LYS 116 1HE LYS 116 -11.089 -12.720 -11.425 897 1HZ LYS 116 1HZ LYS 116 -10.037 -14.050 -12.924 898 2HZ LYS 116 2HZ LYS 116 -8.943 -14.678 -11.797 899 3HZ LYS 116 3HZ LYS 116 -8.714 -13.122 -12.421 900 H ALA 117 H ALA 117 -8.705 -7.669 -7.044 901 HA ALA 117 HA ALA 117 -6.692 -6.465 -8.524 902 1HB ALA 117 1HB ALA 117 -9.331 -6.492 -9.949 903 2HB ALA 117 2HB ALA 117 -7.733 -6.910 -10.575 904 3HB ALA 117 3HB ALA 117 -8.135 -5.227 -10.232 905 H VAL 118 H VAL 118 -7.048 -4.031 -8.823 906 HA VAL 118 HA VAL 118 -8.694 -2.987 -6.606 907 HB VAL 118 HB VAL 118 -6.959 -1.040 -6.711 908 1HG1 VAL 118 1HG1 VAL 118 -5.929 -3.591 -5.520 909 2HG1 VAL 118 2HG1 VAL 118 -7.372 -2.798 -4.887 910 3HG1 VAL 118 3HG1 VAL 118 -5.827 -1.949 -4.886 911 1HG2 VAL 118 1HG2 VAL 118 -5.420 -3.307 -7.962 912 2HG2 VAL 118 2HG2 VAL 118 -4.668 -1.884 -7.241 913 3HG2 VAL 118 3HG2 VAL 118 -5.723 -1.709 -8.643 914 H THR 119 H THR 119 -10.425 -2.079 -7.529 915 HA THR 119 HA THR 119 -10.040 -0.478 -9.974 916 HB THR 119 HB THR 119 -12.129 -2.390 -9.073 917 HG1 THR 119 1HG THR 119 -10.922 -1.659 -11.525 918 1HG2 THR 119 1HG2 THR 119 -13.592 -1.322 -10.973 919 2HG2 THR 119 2HG2 THR 119 -12.791 0.163 -10.458 920 3HG2 THR 119 3HG2 THR 119 -13.733 -0.778 -9.301 921 H PHE 120 H PHE 120 -9.865 1.626 -9.322 922 HA PHE 120 HA PHE 120 -10.209 3.435 -7.785 923 1HB PHE 120 2HB PHE 120 -12.809 3.350 -9.323 924 2HB PHE 120 1HB PHE 120 -11.897 4.763 -8.806 925 HD1 PHE 120 1HD PHE 120 -11.555 1.754 -10.980 926 HD2 PHE 120 2HD PHE 120 -10.561 5.841 -10.335 927 HE1 PHE 120 1HE PHE 120 -10.439 1.825 -13.172 928 HE2 PHE 120 2HE PHE 120 -9.443 5.919 -12.526 929 HZ PHE 120 HZ PHE 120 -9.382 3.909 -13.947 930 H HIS 121 H HIS 121 -10.608 1.470 -6.168 931 HA HIS 121 HA HIS 121 -13.068 0.829 -5.127 932 1HB HIS 121 2HB HIS 121 -11.589 0.785 -2.928 933 2HB HIS 121 1HB HIS 121 -11.464 -0.424 -4.196 934 HD1 HIS 121 1HD HIS 121 -9.250 -0.596 -5.416 935 HD2 HIS 121 2HD HIS 121 -9.470 2.734 -2.946 936 HE1 HIS 121 1HE HIS 121 -6.928 0.372 -5.383 937 HE2 HIS 121 2HE HIS 121 -7.067 2.333 -3.810 938 H MET 122 H MET 122 -10.966 3.502 -4.215 939 HA MET 122 HA MET 122 -13.076 5.240 -3.478 940 1HB MET 122 2HB MET 122 -11.758 3.605 -1.384 941 2HB MET 122 1HB MET 122 -11.871 5.321 -1.040 942 1HG MET 122 2HG MET 122 -14.139 3.428 -1.605 943 2HG MET 122 1HG MET 122 -13.749 4.200 -0.072 944 1HE MET 122 1HE MET 122 -15.602 4.019 -3.048 945 2HE MET 122 2HE MET 122 -15.012 5.428 -3.929 946 3HE MET 122 3HE MET 122 -16.587 5.479 -3.138 947 H MET 123 H MET 123 -9.757 4.540 -2.411 948 HA MET 123 HA MET 123 -7.878 5.830 -2.377 949 1HB MET 123 2HB MET 123 -8.136 7.050 -4.973 950 2HB MET 123 1HB MET 123 -7.069 5.761 -4.460 951 1HG MET 123 2HG MET 123 -8.199 4.261 -5.606 952 2HG MET 123 1HG MET 123 -9.722 4.745 -4.880 953 1HE MET 123 1HE MET 123 -11.477 5.532 -5.918 954 2HE MET 123 2HE MET 123 -11.635 6.263 -7.515 955 3HE MET 123 3HE MET 123 -11.098 7.239 -6.148 956 H GLU 124 H GLU 124 -9.997 7.150 -1.141 957 HA GLU 124 HA GLU 124 -9.519 9.948 -1.945 958 1HB GLU 124 2HB GLU 124 -11.936 8.797 -1.858 959 2HB GLU 124 1HB GLU 124 -11.808 9.275 -0.171 960 1HG GLU 124 2HG GLU 124 -11.116 11.583 -1.223 961 2HG GLU 124 1HG GLU 124 -11.999 10.954 -2.613 962 H ILE 125 H ILE 125 -8.638 11.309 -0.480 963 HA ILE 125 HA ILE 125 -8.027 10.158 2.150 964 HB ILE 125 HB ILE 125 -6.663 12.543 0.934 965 1HG1 ILE 125 2HG1 ILE 125 -6.325 10.750 -0.637 966 2HG1 ILE 125 1HG1 ILE 125 -4.844 10.944 0.293 967 1HG2 ILE 125 1HG2 ILE 125 -5.284 10.703 2.776 968 2HG2 ILE 125 2HG2 ILE 125 -6.596 11.656 3.467 969 3HG2 ILE 125 3HG2 ILE 125 -5.238 12.463 2.682 970 1HD1 ILE 125 1HD1 ILE 125 -5.553 8.586 -0.118 971 2HD1 ILE 125 2HD1 ILE 125 -6.940 8.889 0.929 972 3HD1 ILE 125 3HD1 ILE 125 -5.304 9.005 1.577 973 H LEU 126 H LEU 126 -9.309 10.807 3.716 974 HA LEU 126 HA LEU 126 -10.447 13.518 3.608 975 1HB LEU 126 2HB LEU 126 -11.656 11.094 4.091 976 2HB LEU 126 1HB LEU 126 -11.418 11.723 5.710 977 HG LEU 126 HG LEU 126 -13.611 12.341 4.952 978 1HD1 LEU 126 1HD1 LEU 126 -12.055 14.006 6.180 979 2HD1 LEU 126 2HD1 LEU 126 -13.572 14.588 5.494 980 3HD1 LEU 126 3HD1 LEU 126 -12.053 14.873 4.644 981 1HD2 LEU 126 1HD2 LEU 126 -13.754 12.358 2.691 982 2HD2 LEU 126 2HD2 LEU 126 -12.152 13.064 2.483 983 3HD2 LEU 126 3HD2 LEU 126 -13.515 14.088 2.935 984 H ASP 127 H ASP 127 -10.010 15.012 5.172 985 HA ASP 127 HA ASP 127 -8.072 14.188 7.222 986 1HB ASP 127 2HB ASP 127 -8.252 16.512 5.458 987 2HB ASP 127 1HB ASP 127 -7.963 16.945 7.141 988 H GLU 128 H GLU 128 -8.709 14.165 9.255 989 HA GLU 128 HA GLU 128 -10.913 15.934 10.080 990 1HB GLU 128 2HB GLU 128 -11.105 13.214 9.953 991 2HB GLU 128 1HB GLU 128 -10.579 13.443 11.615 992 1HG GLU 128 2HG GLU 128 -12.883 14.985 10.482 993 2HG GLU 128 1HG GLU 128 -13.089 13.360 11.133 994 H ASP 129 H ASP 129 -10.459 17.244 11.757 995 HA ASP 129 HA ASP 129 -9.341 18.218 13.496 996 1HB ASP 129 2HB ASP 129 -9.390 15.381 14.038 997 2HB ASP 129 1HB ASP 129 -7.940 16.115 14.709 998 H GLY 130 H GLY 130 -7.956 17.543 10.871 999 1HA GLY 130 2HA GLY 130 -5.909 18.416 10.098 1000 2HA GLY 130 1HA GLY 130 -5.296 18.366 11.746 1001 H LEU 131 H LEU 131 -6.774 15.477 11.249 1002 HA LEU 131 HA LEU 131 -4.228 14.162 10.648 1003 1HB LEU 131 2HB LEU 131 -6.735 13.357 12.060 1004 2HB LEU 131 1HB LEU 131 -5.746 12.108 11.325 1005 HG LEU 131 HG LEU 131 -4.631 14.098 13.291 1006 1HD1 LEU 131 1HD1 LEU 131 -6.185 13.068 14.643 1007 2HD1 LEU 131 2HD1 LEU 131 -4.790 12.004 14.832 1008 3HD1 LEU 131 3HD1 LEU 131 -6.109 11.546 13.754 1009 1HD2 LEU 131 1HD2 LEU 131 -3.049 12.905 11.822 1010 2HD2 LEU 131 2HD2 LEU 131 -3.680 11.373 12.424 1011 3HD2 LEU 131 3HD2 LEU 131 -2.856 12.478 13.523 1012 H ILE 132 H ILE 132 -4.040 12.644 8.975 1013 HA ILE 132 HA ILE 132 -6.110 12.899 6.915 1014 HB ILE 132 HB ILE 132 -4.209 11.576 5.591 1015 1HG1 ILE 132 2HG1 ILE 132 -2.859 11.976 7.932 1016 2HG1 ILE 132 1HG1 ILE 132 -2.097 11.733 6.371 1017 1HG2 ILE 132 1HG2 ILE 132 -4.129 14.559 6.031 1018 2HG2 ILE 132 2HG2 ILE 132 -5.281 13.717 4.996 1019 3HG2 ILE 132 3HG2 ILE 132 -3.560 13.679 4.613 1020 1HD1 ILE 132 1HD1 ILE 132 -1.500 13.937 6.169 1021 2HD1 ILE 132 2HD1 ILE 132 -1.369 13.699 7.912 1022 3HD1 ILE 132 3HD1 ILE 132 -2.790 14.498 7.235 1023 H LYS 133 H LYS 133 -7.106 11.202 5.982 1024 HA LYS 133 HA LYS 133 -6.427 8.511 6.925 1025 1HB LYS 133 2HB LYS 133 -9.247 9.598 6.743 1026 2HB LYS 133 1HB LYS 133 -8.793 7.964 7.207 1027 1HG LYS 133 2HG LYS 133 -8.777 8.637 9.314 1028 2HG LYS 133 1HG LYS 133 -7.375 9.638 8.933 1029 1HD LYS 133 2HD LYS 133 -8.705 11.542 8.556 1030 2HD LYS 133 1HD LYS 133 -10.186 10.586 8.450 1031 1HE LYS 133 2HE LYS 133 -8.642 10.474 10.983 1032 2HE LYS 133 1HE LYS 133 -9.528 11.957 10.631 1033 1HZ LYS 133 1HZ LYS 133 -10.547 9.264 11.173 1034 2HZ LYS 133 2HZ LYS 133 -11.435 10.252 10.126 1035 3HZ LYS 133 3HZ LYS 133 -11.123 10.763 11.707 1036 H ALA 134 H ALA 134 -6.545 6.972 5.349 1037 HA ALA 134 HA ALA 134 -7.469 7.850 2.685 1038 1HB ALA 134 1HB ALA 134 -5.310 5.834 3.295 1039 2HB ALA 134 2HB ALA 134 -5.025 7.527 2.891 1040 3HB ALA 134 3HB ALA 134 -5.766 6.451 1.706 1041 H ARG 135 H ARG 135 -8.582 6.355 1.357 1042 HA ARG 135 HA ARG 135 -9.551 3.932 2.729 1043 1HB ARG 135 2HB ARG 135 -11.558 4.533 0.958 1044 2HB ARG 135 1HB ARG 135 -11.585 4.846 2.692 1045 1HG ARG 135 2HG ARG 135 -11.241 7.073 2.433 1046 2HG ARG 135 1HG ARG 135 -10.318 6.865 0.936 1047 1HD ARG 135 2HD ARG 135 -12.131 7.248 -0.269 1048 2HD ARG 135 1HD ARG 135 -12.968 5.920 0.535 1049 HE ARG 135 HE ARG 135 -13.284 7.822 2.340 1050 1HH1 ARG 135 1HH1 ARG 135 -13.614 8.032 -1.133 1051 2HH1 ARG 135 2HH1 ARG 135 -14.803 9.286 -1.065 1052 1HH2 ARG 135 1HH2 ARG 135 -14.846 9.469 2.423 1053 2HH2 ARG 135 2HH2 ARG 135 -15.503 10.103 0.950 1054 H VAL 136 H VAL 136 -9.054 2.128 1.766 1055 HA VAL 136 HA VAL 136 -8.990 2.085 -1.167 1056 HB VAL 136 HB VAL 136 -7.006 0.596 0.544 1057 1HG1 VAL 136 1HG1 VAL 136 -7.818 -0.005 -1.960 1058 2HG1 VAL 136 2HG1 VAL 136 -6.199 -0.331 -1.347 1059 3HG1 VAL 136 3HG1 VAL 136 -6.502 1.113 -2.311 1060 1HG2 VAL 136 1HG2 VAL 136 -6.087 2.784 -1.205 1061 2HG2 VAL 136 2HG2 VAL 136 -5.518 2.287 0.388 1062 3HG2 VAL 136 3HG2 VAL 136 -6.968 3.276 0.239 1063 H ILE 137 H ILE 137 -10.490 0.758 -1.837 1064 HA ILE 137 HA ILE 137 -11.160 -1.699 -0.439 1065 HB ILE 137 HB ILE 137 -12.822 -0.691 -2.691 1066 1HG1 ILE 137 2HG1 ILE 137 -12.665 0.427 0.075 1067 2HG1 ILE 137 1HG1 ILE 137 -12.892 1.246 -1.450 1068 1HG2 ILE 137 1HG2 ILE 137 -13.813 -1.997 -0.207 1069 2HG2 ILE 137 2HG2 ILE 137 -12.998 -2.962 -1.438 1070 3HG2 ILE 137 3HG2 ILE 137 -14.456 -2.057 -1.844 1071 1HD1 ILE 137 1HD1 ILE 137 -15.182 0.459 -1.566 1072 2HD1 ILE 137 2HD1 ILE 137 -14.895 1.327 -0.057 1073 3HD1 ILE 137 3HD1 ILE 137 -14.956 -0.437 -0.063 1074 H LEU 138 H LEU 138 -11.039 -3.628 -1.395 1075 HA LEU 138 HA LEU 138 -9.600 -3.648 -3.957 1076 1HB LEU 138 2HB LEU 138 -9.407 -5.472 -1.577 1077 2HB LEU 138 1HB LEU 138 -8.688 -5.854 -3.129 1078 HG LEU 138 HG LEU 138 -7.464 -4.475 -1.060 1079 1HD1 LEU 138 1HD1 LEU 138 -6.847 -4.648 -3.997 1080 2HD1 LEU 138 2HD1 LEU 138 -6.230 -5.662 -2.692 1081 3HD1 LEU 138 3HD1 LEU 138 -5.727 -3.975 -2.812 1082 1HD2 LEU 138 1HD2 LEU 138 -8.361 -2.512 -3.171 1083 2HD2 LEU 138 2HD2 LEU 138 -7.014 -2.227 -2.071 1084 3HD2 LEU 138 3HD2 LEU 138 -8.643 -2.434 -1.432 1085 H ASP 139 H ASP 139 -9.969 -5.294 -5.464 1086 HA ASP 139 HA ASP 139 -12.749 -6.034 -5.626 1087 1HB ASP 139 2HB ASP 139 -11.123 -5.269 -7.524 1088 2HB ASP 139 1HB ASP 139 -10.692 -6.976 -7.582 1089 H LEU 140 H LEU 140 -13.649 -8.035 -5.570 1090 HA LEU 140 HA LEU 140 -12.812 -9.963 -3.866 1091 1HB LEU 140 2HB LEU 140 -14.990 -9.663 -5.424 1092 2HB LEU 140 1HB LEU 140 -14.222 -10.999 -6.253 1093 HG LEU 140 HG LEU 140 -14.255 -12.334 -4.221 1094 1HD1 LEU 140 1HD1 LEU 140 -14.664 -11.558 -2.162 1095 2HD1 LEU 140 2HD1 LEU 140 -15.990 -10.530 -2.703 1096 3HD1 LEU 140 3HD1 LEU 140 -14.325 -9.975 -2.858 1097 1HD2 LEU 140 1HD2 LEU 140 -16.171 -12.839 -5.320 1098 2HD2 LEU 140 2HD2 LEU 140 -16.728 -11.165 -5.348 1099 3HD2 LEU 140 3HD2 LEU 140 -16.889 -12.123 -3.876 Start of MODEL 2 1 1H MET 1 1HT MET 1 -6.188 -2.912 16.570 2 2H MET 1 2HT MET 1 -5.050 -2.159 17.610 3 3H MET 1 3HT MET 1 -4.535 -2.840 16.121 4 HA MET 1 HA MET 1 -6.110 -1.241 15.040 5 1HB MET 1 2HB MET 1 -5.823 -0.021 17.795 6 2HB MET 1 1HB MET 1 -6.526 0.788 16.401 7 1HG MET 1 2HG MET 1 -8.402 -0.596 16.391 8 2HG MET 1 1HG MET 1 -7.624 -1.808 17.408 9 1HE MET 1 1HE MET 1 -9.610 -1.516 20.103 10 2HE MET 1 2HE MET 1 -9.686 -2.005 18.410 11 3HE MET 1 3HE MET 1 -10.711 -0.694 18.996 12 H LYS 2 H LYS 2 -4.123 -1.406 13.881 13 HA LYS 2 HA LYS 2 -1.908 0.246 14.844 14 1HB LYS 2 2HB LYS 2 -1.627 -2.136 13.904 15 2HB LYS 2 1HB LYS 2 -1.903 -1.406 12.328 16 1HG LYS 2 2HG LYS 2 0.110 -0.363 12.300 17 2HG LYS 2 1HG LYS 2 0.153 -0.158 14.052 18 1HD LYS 2 2HD LYS 2 0.359 -2.778 14.031 19 2HD LYS 2 1HD LYS 2 0.947 -2.503 12.390 20 1HE LYS 2 2HE LYS 2 2.057 -1.123 14.829 21 2HE LYS 2 1HE LYS 2 2.731 -2.602 14.146 22 1HZ LYS 2 1HZ LYS 2 2.764 0.126 13.070 23 2HZ LYS 2 2HZ LYS 2 2.754 -1.168 11.980 24 3HZ LYS 2 3HZ LYS 2 4.000 -1.030 13.115 25 H GLY 3 H GLY 3 -4.285 1.570 14.026 26 1HA GLY 3 2HA GLY 3 -4.672 3.567 12.910 27 2HA GLY 3 1HA GLY 3 -3.145 3.358 12.068 28 H PHE 4 H PHE 4 -5.331 0.699 11.989 29 HA PHE 4 HA PHE 4 -6.452 1.543 9.432 30 1HB PHE 4 2HB PHE 4 -5.505 -0.080 8.152 31 2HB PHE 4 1HB PHE 4 -4.217 0.100 9.333 32 HD1 PHE 4 1HD PHE 4 -4.271 -1.487 11.363 33 HD2 PHE 4 2HD PHE 4 -6.440 -2.169 7.766 34 HE1 PHE 4 1HE PHE 4 -4.428 -3.879 11.916 35 HE2 PHE 4 2HE PHE 4 -6.602 -4.562 8.312 36 HZ PHE 4 HZ PHE 4 -5.595 -5.420 10.390 37 H GLU 5 H GLU 5 -8.488 0.724 9.014 38 HA GLU 5 HA GLU 5 -9.516 -1.437 10.681 39 1HB GLU 5 2HB GLU 5 -11.556 -0.051 11.236 40 2HB GLU 5 1HB GLU 5 -10.076 0.400 12.071 41 1HG GLU 5 2HG GLU 5 -9.888 2.039 9.976 42 2HG GLU 5 1HG GLU 5 -11.642 1.874 10.046 43 H PHE 6 H PHE 6 -10.924 -2.709 9.629 44 HA PHE 6 HA PHE 6 -11.713 -1.919 6.922 45 1HB PHE 6 2HB PHE 6 -12.254 -4.332 6.631 46 2HB PHE 6 1HB PHE 6 -10.574 -4.047 7.069 47 HD1 PHE 6 1HD PHE 6 -9.640 -5.070 8.948 48 HD2 PHE 6 2HD PHE 6 -13.866 -5.038 8.450 49 HE1 PHE 6 1HE PHE 6 -9.870 -6.629 10.838 50 HE2 PHE 6 2HE PHE 6 -14.105 -6.597 10.339 51 HZ PHE 6 HZ PHE 6 -12.104 -7.394 11.535 52 H PHE 7 H PHE 7 -13.873 -2.063 6.183 53 HA PHE 7 HA PHE 7 -15.854 -1.996 8.360 54 1HB PHE 7 2HB PHE 7 -17.181 -0.910 6.238 55 2HB PHE 7 1HB PHE 7 -16.323 0.016 7.460 56 HD1 PHE 7 1HD PHE 7 -14.536 1.404 6.866 57 HD2 PHE 7 2HD PHE 7 -15.955 -1.496 4.091 58 HE1 PHE 7 1HE PHE 7 -13.142 2.418 5.102 59 HE2 PHE 7 2HE PHE 7 -14.561 -0.494 2.327 60 HZ PHE 7 HZ PHE 7 -13.151 1.476 2.832 61 H ASP 8 H ASP 8 -17.671 -3.227 8.293 62 HA ASP 8 HA ASP 8 -17.600 -5.680 6.969 63 1HB ASP 8 2HB ASP 8 -20.051 -5.819 7.668 64 2HB ASP 8 1HB ASP 8 -18.863 -5.592 8.947 65 H VAL 9 H VAL 9 -17.538 -5.768 4.829 66 HA VAL 9 HA VAL 9 -19.588 -4.342 3.286 67 HB VAL 9 HB VAL 9 -17.065 -4.080 2.733 68 1HG1 VAL 9 1HG1 VAL 9 -15.950 -5.845 1.958 69 2HG1 VAL 9 2HG1 VAL 9 -17.229 -6.242 0.821 70 3HG1 VAL 9 3HG1 VAL 9 -17.290 -6.850 2.470 71 1HG2 VAL 9 1HG2 VAL 9 -18.343 -4.696 0.216 72 2HG2 VAL 9 2HG2 VAL 9 -17.911 -3.130 0.902 73 3HG2 VAL 9 3HG2 VAL 9 -19.456 -3.873 1.307 74 H THR 10 H THR 10 -20.639 -5.362 1.559 75 HA THR 10 HA THR 10 -20.962 -8.260 1.920 76 HB THR 10 HB THR 10 -22.768 -6.256 0.582 77 HG1 THR 10 1HG THR 10 -22.523 -6.100 2.932 78 1HG2 THR 10 1HG2 THR 10 -24.444 -8.193 1.136 79 2HG2 THR 10 2HG2 THR 10 -22.987 -9.181 1.032 80 3HG2 THR 10 3HG2 THR 10 -23.489 -8.203 -0.347 81 H ALA 11 H ALA 11 -18.728 -7.903 0.491 82 HA ALA 11 HA ALA 11 -18.757 -9.255 -1.750 83 1HB ALA 11 1HB ALA 11 -20.400 -8.220 -2.985 84 2HB ALA 11 2HB ALA 11 -18.961 -7.398 -3.588 85 3HB ALA 11 3HB ALA 11 -19.986 -6.613 -2.387 86 H ASP 12 H ASP 12 -17.961 -5.810 -1.332 87 HA ASP 12 HA ASP 12 -15.122 -6.595 -1.629 88 1HB ASP 12 2HB ASP 12 -15.400 -3.868 -2.380 89 2HB ASP 12 1HB ASP 12 -14.774 -5.215 -3.306 90 H ALA 13 H ALA 13 -13.893 -6.117 -0.002 91 HA ALA 13 HA ALA 13 -14.908 -4.287 2.031 92 1HB ALA 13 1HB ALA 13 -13.666 -6.791 2.087 93 2HB ALA 13 2HB ALA 13 -14.196 -5.806 3.451 94 3HB ALA 13 3HB ALA 13 -12.548 -5.656 2.842 95 H GLY 14 H GLY 14 -14.079 -2.402 2.457 96 1HA GLY 14 2HA GLY 14 -11.449 -1.731 1.315 97 2HA GLY 14 1HA GLY 14 -12.717 -0.547 1.584 98 H PHE 15 H PHE 15 -9.932 -0.704 2.619 99 HA PHE 15 HA PHE 15 -10.495 -1.005 5.485 100 1HB PHE 15 2HB PHE 15 -7.742 -0.645 4.342 101 2HB PHE 15 1HB PHE 15 -8.224 -1.430 5.842 102 HD1 PHE 15 1HD PHE 15 -9.011 -3.711 5.858 103 HD2 PHE 15 2HD PHE 15 -7.879 -1.807 2.225 104 HE1 PHE 15 1HE PHE 15 -8.958 -5.899 4.733 105 HE2 PHE 15 2HE PHE 15 -7.823 -3.991 1.093 106 HZ PHE 15 HZ PHE 15 -8.363 -6.040 2.347 107 H TRP 16 H TRP 16 -9.755 0.563 6.952 108 HA TRP 16 HA TRP 16 -9.563 3.257 5.783 109 1HB TRP 16 2HB TRP 16 -11.075 2.156 8.050 110 2HB TRP 16 1HB TRP 16 -10.180 3.615 8.453 111 HD1 TRP 16 HD TRP 16 -13.499 2.916 7.751 112 HE1 TRP 16 1HE TRP 16 -14.696 4.740 6.388 113 HE3 TRP 16 3HE TRP 16 -9.410 5.372 5.914 114 HZ2 TRP 16 2HZ TRP 16 -14.000 6.934 4.753 115 HZ3 TRP 16 3HZ TRP 16 -9.762 7.325 4.459 116 HH2 TRP 16 HH TRP 16 -12.010 8.089 3.891 117 H ALA 17 H ALA 17 -7.702 4.286 6.068 118 HA ALA 17 HA ALA 17 -5.882 3.324 8.184 119 1HB ALA 17 1HB ALA 17 -4.761 4.652 5.783 120 2HB ALA 17 2HB ALA 17 -5.359 3.004 5.589 121 3HB ALA 17 3HB ALA 17 -4.098 3.351 6.773 122 H TYR 18 H TYR 18 -4.364 4.819 8.928 123 HA TYR 18 HA TYR 18 -5.498 7.525 9.025 124 1HB TYR 18 2HB TYR 18 -4.361 5.715 11.097 125 2HB TYR 18 1HB TYR 18 -4.360 7.438 11.342 126 HD1 TYR 18 1HD TYR 18 -6.494 4.499 10.841 127 HD2 TYR 18 2HD TYR 18 -6.365 8.605 11.937 128 HE1 TYR 18 1HE TYR 18 -8.810 4.350 11.630 129 HE2 TYR 18 2HE TYR 18 -8.688 8.472 12.734 130 HH TYR 18 HH TYR 18 -10.741 6.929 12.172 131 H GLY 19 H GLY 19 -3.993 9.245 9.511 132 1HA GLY 19 2HA GLY 19 -1.326 8.705 8.365 133 2HA GLY 19 1HA GLY 19 -2.207 10.177 8.140 134 H HIS 20 H HIS 20 0.129 10.513 8.755 135 HA HIS 20 HA HIS 20 0.087 11.555 11.454 136 1HB HIS 20 2HB HIS 20 1.346 9.883 12.159 137 2HB HIS 20 1HB HIS 20 1.516 9.234 10.560 138 HD1 HIS 20 1HD HIS 20 3.729 9.371 9.475 139 HD2 HIS 20 2HD HIS 20 3.485 11.805 12.830 140 HE1 HIS 20 1HE HIS 20 6.050 10.212 9.840 141 HE2 HIS 20 2HE HIS 20 5.912 11.604 11.946 142 H ASP 21 H ASP 21 0.408 12.075 8.303 143 HA ASP 21 HA ASP 21 1.173 14.627 8.210 144 1HB ASP 21 2HB ASP 21 3.539 12.988 8.780 145 2HB ASP 21 1HB ASP 21 3.742 14.053 7.394 146 H LEU 22 H LEU 22 -0.244 12.617 6.767 147 HA LEU 22 HA LEU 22 -0.900 12.225 4.632 148 1HB LEU 22 2HB LEU 22 0.507 14.618 4.427 149 2HB LEU 22 1HB LEU 22 1.243 13.595 3.210 150 HG LEU 22 HG LEU 22 -0.431 14.727 2.049 151 1HD1 LEU 22 1HD1 LEU 22 -0.612 12.006 2.314 152 2HD1 LEU 22 2HD1 LEU 22 -1.454 12.982 1.110 153 3HD1 LEU 22 3HD1 LEU 22 -2.268 12.535 2.609 154 1HD2 LEU 22 1HD2 LEU 22 -1.647 15.838 3.694 155 2HD2 LEU 22 2HD2 LEU 22 -2.081 14.343 4.520 156 3HD2 LEU 22 3HD2 LEU 22 -2.826 14.743 2.974 157 H GLU 23 H GLU 23 2.652 12.245 4.934 158 HA GLU 23 HA GLU 23 3.143 10.271 3.018 159 1HB GLU 23 2HB GLU 23 4.783 10.577 5.527 160 2HB GLU 23 1HB GLU 23 5.322 10.115 3.924 161 1HG GLU 23 2HG GLU 23 5.946 12.212 3.625 162 2HG GLU 23 1HG GLU 23 4.238 12.644 3.582 163 H GLU 24 H GLU 24 2.467 10.053 6.483 164 HA GLU 24 HA GLU 24 2.929 7.371 6.906 165 1HB GLU 24 2HB GLU 24 2.246 9.186 8.575 166 2HB GLU 24 1HB GLU 24 0.592 8.771 8.157 167 1HG GLU 24 2HG GLU 24 0.932 7.452 9.998 168 2HG GLU 24 1HG GLU 24 1.345 6.343 8.692 169 H VAL 25 H VAL 25 -0.158 8.845 5.801 170 HA VAL 25 HA VAL 25 -1.569 6.394 5.802 171 HB VAL 25 HB VAL 25 -3.022 7.726 3.997 172 1HG1 VAL 25 1HG1 VAL 25 -3.202 8.779 6.764 173 2HG1 VAL 25 2HG1 VAL 25 -3.362 7.039 6.524 174 3HG1 VAL 25 3HG1 VAL 25 -4.462 8.148 5.705 175 1HG2 VAL 25 1HG2 VAL 25 -2.931 10.088 4.289 176 2HG2 VAL 25 2HG2 VAL 25 -1.317 9.538 3.852 177 3HG2 VAL 25 3HG2 VAL 25 -1.685 9.948 5.528 178 H PHE 26 H PHE 26 0.430 7.879 3.326 179 HA PHE 26 HA PHE 26 -0.491 6.418 1.126 180 1HB PHE 26 2HB PHE 26 2.098 7.767 1.779 181 2HB PHE 26 1HB PHE 26 1.971 6.782 0.323 182 HD1 PHE 26 1HD PHE 26 1.490 9.985 1.694 183 HD2 PHE 26 2HD PHE 26 -0.065 7.295 -1.210 184 HE1 PHE 26 1HE PHE 26 0.436 11.873 0.518 185 HE2 PHE 26 2HE PHE 26 -1.121 9.173 -2.391 186 HZ PHE 26 HZ PHE 26 -0.872 11.467 -1.530 187 H GLU 27 H GLU 27 2.293 5.700 3.233 188 HA GLU 27 HA GLU 27 2.823 3.172 2.052 189 1HB GLU 27 2HB GLU 27 3.815 4.751 4.302 190 2HB GLU 27 1HB GLU 27 3.884 3.037 4.574 191 1HG GLU 27 2HG GLU 27 5.253 4.629 2.461 192 2HG GLU 27 1HG GLU 27 5.958 3.571 3.668 193 H ASN 28 H ASN 28 0.827 4.246 4.727 194 HA ASN 28 HA ASN 28 0.250 1.693 5.804 195 1HB ASN 28 2HB ASN 28 -0.805 4.432 6.080 196 2HB ASN 28 1HB ASN 28 -1.993 3.161 6.362 197 1HD2 ASN 28 1HD2 ASN 28 -2.208 2.841 8.449 198 2HD2 ASN 28 2HD2 ASN 28 -0.929 2.758 9.606 199 H ALA 29 H ALA 29 -0.885 3.467 3.066 200 HA ALA 29 HA ALA 29 -3.296 2.027 2.576 201 1HB ALA 29 1HB ALA 29 -1.689 3.457 0.502 202 2HB ALA 29 2HB ALA 29 -2.560 4.339 1.751 203 3HB ALA 29 3HB ALA 29 -3.439 3.297 0.640 204 H ALA 30 H ALA 30 -0.022 1.236 2.255 205 HA ALA 30 HA ALA 30 -0.549 -0.789 0.204 206 1HB ALA 30 1HB ALA 30 1.445 -0.001 -0.469 207 2HB ALA 30 2HB ALA 30 2.097 -1.039 0.798 208 3HB ALA 30 3HB ALA 30 1.825 0.674 1.115 209 H LEU 31 H LEU 31 -0.374 -0.415 3.567 210 HA LEU 31 HA LEU 31 0.483 -3.137 4.104 211 1HB LEU 31 2HB LEU 31 1.047 -1.047 5.500 212 2HB LEU 31 1HB LEU 31 -0.580 -1.200 6.137 213 HG LEU 31 HG LEU 31 1.233 -3.571 6.245 214 1HD1 LEU 31 1HD1 LEU 31 2.192 -1.228 7.184 215 2HD1 LEU 31 2HD1 LEU 31 2.560 -2.802 7.889 216 3HD1 LEU 31 3HD1 LEU 31 1.290 -1.797 8.589 217 1HD2 LEU 31 1HD2 LEU 31 -0.295 -3.044 8.598 218 2HD2 LEU 31 2HD2 LEU 31 -0.434 -4.385 7.460 219 3HD2 LEU 31 3HD2 LEU 31 -1.343 -2.898 7.187 220 H ALA 32 H ALA 32 -2.492 -1.253 4.071 221 HA ALA 32 HA ALA 32 -4.205 -2.833 5.522 222 1HB ALA 32 1HB ALA 32 -5.768 -2.127 3.358 223 2HB ALA 32 2HB ALA 32 -4.492 -0.906 3.361 224 3HB ALA 32 3HB ALA 32 -5.482 -1.147 4.803 225 H MET 33 H MET 33 -3.244 -3.281 2.137 226 HA MET 33 HA MET 33 -4.832 -5.616 1.753 227 1HB MET 33 2HB MET 33 -4.176 -4.228 -0.134 228 2HB MET 33 1HB MET 33 -2.477 -4.539 0.193 229 1HG MET 33 2HG MET 33 -3.362 -5.845 -1.695 230 2HG MET 33 1HG MET 33 -2.726 -6.850 -0.394 231 1HE MET 33 1HE MET 33 -4.144 -8.093 -2.511 232 2HE MET 33 2HE MET 33 -5.704 -8.800 -2.085 233 3HE MET 33 3HE MET 33 -4.264 -9.212 -1.152 234 H PHE 34 H PHE 34 -1.491 -5.028 2.696 235 HA PHE 34 HA PHE 34 -0.646 -7.738 2.498 236 1HB PHE 34 2HB PHE 34 0.482 -5.313 3.886 237 2HB PHE 34 1HB PHE 34 1.247 -6.892 4.015 238 HD1 PHE 34 1HD PHE 34 3.238 -6.672 2.860 239 HD2 PHE 34 2HD PHE 34 -0.365 -5.294 1.062 240 HE1 PHE 34 1HE PHE 34 4.447 -6.255 0.759 241 HE2 PHE 34 2HE PHE 34 0.837 -4.879 -1.041 242 HZ PHE 34 HZ PHE 34 3.246 -5.359 -1.196 243 H GLU 35 H GLU 35 -1.627 -5.709 5.251 244 HA GLU 35 HA GLU 35 -1.258 -7.541 7.294 245 1HB GLU 35 2HB GLU 35 -2.305 -5.005 7.099 246 2HB GLU 35 1HB GLU 35 -3.709 -5.951 7.572 247 1HG GLU 35 2HG GLU 35 -1.076 -5.940 9.029 248 2HG GLU 35 1HG GLU 35 -2.486 -4.983 9.480 249 H VAL 36 H VAL 36 -3.768 -7.346 4.893 250 HA VAL 36 HA VAL 36 -5.408 -9.360 6.199 251 HB VAL 36 HB VAL 36 -5.793 -8.135 3.472 252 1HG1 VAL 36 1HG1 VAL 36 -8.084 -8.844 3.695 253 2HG1 VAL 36 2HG1 VAL 36 -7.783 -9.428 5.332 254 3HG1 VAL 36 3HG1 VAL 36 -7.024 -10.229 3.956 255 1HG2 VAL 36 1HG2 VAL 36 -5.839 -6.768 5.884 256 2HG2 VAL 36 2HG2 VAL 36 -7.535 -7.127 5.561 257 3HG2 VAL 36 3HG2 VAL 36 -6.578 -6.250 4.369 258 H MET 37 H MET 37 -3.575 -9.006 3.161 259 HA MET 37 HA MET 37 -4.069 -11.429 1.998 260 1HB MET 37 2HB MET 37 -2.230 -11.071 0.642 261 2HB MET 37 1HB MET 37 -2.592 -9.448 1.205 262 1HG MET 37 2HG MET 37 -0.821 -9.633 2.874 263 2HG MET 37 1HG MET 37 -0.463 -11.261 2.314 264 1HE MET 37 1HE MET 37 1.525 -10.926 -0.782 265 2HE MET 37 2HE MET 37 -0.211 -11.215 -0.905 266 3HE MET 37 3HE MET 37 0.711 -11.929 0.420 267 H THR 38 H THR 38 -1.557 -10.740 4.406 268 HA THR 38 HA THR 38 -1.729 -12.982 5.918 269 HB THR 38 HB THR 38 -1.350 -14.526 4.198 270 HG1 THR 38 1HG THR 38 1.287 -14.100 5.120 271 1HG2 THR 38 1HG2 THR 38 -0.680 -13.318 2.332 272 2HG2 THR 38 2HG2 THR 38 0.713 -14.331 2.710 273 3HG2 THR 38 3HG2 THR 38 0.713 -12.626 3.162 274 H ASP 39 H ASP 39 0.390 -13.559 7.067 275 HA ASP 39 HA ASP 39 1.806 -11.052 7.560 276 1HB ASP 39 2HB ASP 39 0.738 -12.896 9.277 277 2HB ASP 39 1HB ASP 39 2.435 -13.369 9.263 278 H THR 40 H THR 40 4.141 -11.080 7.914 279 HA THR 40 HA THR 40 5.548 -12.174 5.761 280 HB THR 40 HB THR 40 6.592 -10.318 6.682 281 HG1 THR 40 1HG THR 40 8.563 -11.089 7.583 282 1HG2 THR 40 1HG2 THR 40 6.086 -9.685 8.745 283 2HG2 THR 40 2HG2 THR 40 7.314 -10.816 9.311 284 3HG2 THR 40 3HG2 THR 40 5.628 -11.324 9.209 285 H SER 41 H SER 41 4.817 -13.481 8.889 286 HA SER 41 HA SER 41 5.070 -15.563 9.759 287 1HB SER 41 2HB SER 41 6.144 -16.272 7.019 288 2HB SER 41 1HB SER 41 5.742 -17.430 8.285 289 HG SER 41 HG SER 41 3.642 -17.035 8.012 290 H LEU 42 H LEU 42 7.920 -15.083 7.628 291 HA LEU 42 HA LEU 42 9.627 -14.921 9.958 292 1HB LEU 42 2HB LEU 42 11.128 -16.765 9.007 293 2HB LEU 42 1HB LEU 42 9.692 -17.239 9.892 294 HG LEU 42 HG LEU 42 10.225 -18.538 7.774 295 1HD1 LEU 42 1HD1 LEU 42 8.109 -19.176 7.891 296 2HD1 LEU 42 2HD1 LEU 42 7.554 -17.653 7.200 297 3HD1 LEU 42 3HD1 LEU 42 7.800 -17.795 8.941 298 1HD2 LEU 42 1HD2 LEU 42 9.731 -17.617 5.665 299 2HD2 LEU 42 2HD2 LEU 42 10.753 -16.427 6.472 300 3HD2 LEU 42 3HD2 LEU 42 9.010 -16.172 6.375 301 H VAL 43 H VAL 43 8.967 -13.172 7.731 302 HA VAL 43 HA VAL 43 11.560 -13.044 6.339 303 HB VAL 43 HB VAL 43 9.210 -11.360 5.552 304 1HG1 VAL 43 1HG1 VAL 43 11.466 -10.957 4.605 305 2HG1 VAL 43 2HG1 VAL 43 10.260 -11.382 3.391 306 3HG1 VAL 43 3HG1 VAL 43 11.434 -12.584 3.928 307 1HG2 VAL 43 1HG2 VAL 43 9.359 -14.261 5.392 308 2HG2 VAL 43 2HG2 VAL 43 9.147 -13.503 3.815 309 3HG2 VAL 43 3HG2 VAL 43 7.994 -13.181 5.108 310 H GLU 44 H GLU 44 12.907 -11.889 7.582 311 HA GLU 44 HA GLU 44 11.921 -9.369 8.726 312 1HB GLU 44 2HB GLU 44 14.505 -10.746 9.398 313 2HB GLU 44 1HB GLU 44 13.703 -9.459 10.284 314 1HG GLU 44 2HG GLU 44 11.832 -11.040 10.744 315 2HG GLU 44 1HG GLU 44 12.806 -12.316 10.016 316 H ALA 45 H ALA 45 12.090 -8.062 6.975 317 HA ALA 45 HA ALA 45 13.044 -6.824 5.291 318 1HB ALA 45 1HB ALA 45 14.667 -6.491 7.743 319 2HB ALA 45 2HB ALA 45 13.725 -5.309 6.834 320 3HB ALA 45 3HB ALA 45 15.312 -5.809 6.250 321 H ALA 46 H ALA 46 13.417 -9.162 4.309 322 HA ALA 46 HA ALA 46 16.144 -10.000 4.082 323 1HB ALA 46 1HB ALA 46 15.346 -11.666 2.582 324 2HB ALA 46 2HB ALA 46 13.857 -10.770 2.278 325 3HB ALA 46 3HB ALA 46 14.139 -11.502 3.858 326 H GLU 47 H GLU 47 14.116 -7.736 2.467 327 HA GLU 47 HA GLU 47 16.313 -6.979 0.721 328 1HB GLU 47 2HB GLU 47 15.290 -7.348 -1.260 329 2HB GLU 47 1HB GLU 47 14.543 -8.646 -0.358 330 1HG GLU 47 2HG GLU 47 12.722 -7.767 -1.364 331 2HG GLU 47 1HG GLU 47 12.729 -6.798 0.108 332 H GLU 48 H GLU 48 15.694 -4.967 -0.547 333 HA GLU 48 HA GLU 48 13.686 -3.353 0.796 334 1HB GLU 48 2HB GLU 48 15.752 -2.876 2.029 335 2HB GLU 48 1HB GLU 48 16.576 -2.489 0.525 336 1HG GLU 48 2HG GLU 48 14.543 -0.769 0.345 337 2HG GLU 48 1HG GLU 48 14.647 -0.903 2.099 338 H ARG 49 H ARG 49 12.484 -2.385 -0.696 339 HA ARG 49 HA ARG 49 13.711 -1.782 -3.308 340 1HB ARG 49 2HB ARG 49 11.375 -2.121 -4.239 341 2HB ARG 49 1HB ARG 49 12.211 -3.571 -3.703 342 1HG ARG 49 2HG ARG 49 10.573 -4.060 -2.296 343 2HG ARG 49 1HG ARG 49 10.696 -2.472 -1.534 344 1HD ARG 49 2HD ARG 49 8.956 -1.634 -2.697 345 2HD ARG 49 1HD ARG 49 9.386 -2.506 -4.168 346 HE ARG 49 HE ARG 49 7.445 -3.275 -2.275 347 1HH1 ARG 49 1HH1 ARG 49 9.978 -4.633 -4.256 348 2HH1 ARG 49 2HH1 ARG 49 9.227 -6.190 -4.368 349 1HH2 ARG 49 1HH2 ARG 49 6.458 -5.322 -2.420 350 2HH2 ARG 49 2HH2 ARG 49 7.229 -6.581 -3.325 351 H ARG 50 H ARG 50 13.248 0.179 -4.249 352 HA ARG 50 HA ARG 50 11.752 2.072 -2.561 353 1HB ARG 50 2HB ARG 50 14.350 2.241 -3.902 354 2HB ARG 50 1HB ARG 50 13.317 3.633 -4.196 355 1HG ARG 50 2HG ARG 50 13.647 4.429 -2.149 356 2HG ARG 50 1HG ARG 50 13.325 2.863 -1.403 357 1HD ARG 50 2HD ARG 50 15.512 2.343 -1.254 358 2HD ARG 50 1HD ARG 50 15.892 3.062 -2.819 359 HE ARG 50 HE ARG 50 16.230 4.267 -0.280 360 1HH1 ARG 50 1HH1 ARG 50 15.294 5.003 -3.560 361 2HH1 ARG 50 2HH1 ARG 50 15.791 6.660 -3.463 362 1HH2 ARG 50 1HH2 ARG 50 16.886 6.444 -0.151 363 2HH2 ARG 50 2HH2 ARG 50 16.695 7.477 -1.528 364 H VAL 51 H VAL 51 10.296 3.459 -3.471 365 HA VAL 51 HA VAL 51 9.765 3.181 -6.353 366 HB VAL 51 HB VAL 51 7.558 3.412 -4.313 367 1HG1 VAL 51 1HG1 VAL 51 6.101 3.164 -6.049 368 2HG1 VAL 51 2HG1 VAL 51 7.229 2.204 -7.006 369 3HG1 VAL 51 3HG1 VAL 51 7.427 3.954 -6.903 370 1HG2 VAL 51 1HG2 VAL 51 8.688 0.902 -5.547 371 2HG2 VAL 51 2HG2 VAL 51 7.162 0.992 -4.669 372 3HG2 VAL 51 3HG2 VAL 51 8.679 1.332 -3.837 373 H GLU 52 H GLU 52 9.019 5.031 -7.392 374 HA GLU 52 HA GLU 52 8.899 7.474 -5.754 375 1HB GLU 52 2HB GLU 52 10.652 6.814 -8.000 376 2HB GLU 52 1HB GLU 52 9.789 8.328 -8.226 377 1HG GLU 52 2HG GLU 52 10.647 9.144 -6.096 378 2HG GLU 52 1HG GLU 52 11.493 7.617 -5.848 379 H ILE 53 H ILE 53 7.296 8.906 -6.235 380 HA ILE 53 HA ILE 53 5.663 8.387 -8.612 381 HB ILE 53 HB ILE 53 4.036 9.065 -6.287 382 1HG1 ILE 53 2HG1 ILE 53 5.439 6.381 -6.346 383 2HG1 ILE 53 1HG1 ILE 53 5.630 7.621 -5.113 384 1HG2 ILE 53 1HG2 ILE 53 2.719 7.153 -7.225 385 2HG2 ILE 53 2HG2 ILE 53 3.972 7.001 -8.459 386 3HG2 ILE 53 3HG2 ILE 53 3.028 8.491 -8.336 387 1HD1 ILE 53 1HD1 ILE 53 3.602 7.172 -4.159 388 2HD1 ILE 53 2HD1 ILE 53 4.067 5.568 -4.726 389 3HD1 ILE 53 3HD1 ILE 53 2.915 6.532 -5.651 390 H THR 54 H THR 54 4.605 10.175 -9.475 391 HA THR 54 HA THR 54 5.088 12.723 -8.070 392 HB THR 54 HB THR 54 4.903 12.602 -11.055 393 HG1 THR 54 1HG THR 54 7.046 12.160 -11.222 394 1HG2 THR 54 1HG2 THR 54 6.891 14.357 -10.306 395 2HG2 THR 54 2HG2 THR 54 5.648 14.570 -9.073 396 3HG2 THR 54 3HG2 THR 54 5.243 14.772 -10.778 397 H SER 55 H SER 55 3.227 13.489 -7.368 398 HA SER 55 HA SER 55 0.873 13.357 -9.127 399 1HB SER 55 2HB SER 55 1.122 12.754 -6.227 400 2HB SER 55 1HB SER 55 -0.337 13.581 -6.762 401 HG SER 55 HG SER 55 0.651 11.212 -7.959 402 H GLU 56 H GLU 56 -0.726 15.130 -8.672 403 HA GLU 56 HA GLU 56 0.520 17.514 -7.526 404 1HB GLU 56 2HB GLU 56 -0.824 17.582 -10.227 405 2HB GLU 56 1HB GLU 56 0.045 18.887 -9.428 406 1HG GLU 56 2HG GLU 56 2.076 17.332 -9.531 407 2HG GLU 56 1HG GLU 56 1.133 16.412 -10.704 408 H ASP 57 H ASP 57 -1.554 15.810 -6.544 409 HA ASP 57 HA ASP 57 -3.507 17.799 -5.937 410 1HB ASP 57 2HB ASP 57 -4.065 16.663 -8.275 411 2HB ASP 57 1HB ASP 57 -4.774 15.436 -7.229 412 H ARG 58 H ARG 58 -1.693 15.463 -4.862 413 HA ARG 58 HA ARG 58 -1.670 14.162 -2.994 414 1HB ARG 58 2HB ARG 58 -4.400 15.270 -2.338 415 2HB ARG 58 1HB ARG 58 -3.202 14.622 -1.226 416 1HG ARG 58 2HG ARG 58 -1.861 16.516 -1.368 417 2HG ARG 58 1HG ARG 58 -2.610 17.048 -2.875 418 1HD ARG 58 2HD ARG 58 -4.702 17.486 -1.656 419 2HD ARG 58 1HD ARG 58 -3.914 17.002 -0.155 420 HE ARG 58 HE ARG 58 -3.623 19.505 -1.541 421 1HH1 ARG 58 1HH1 ARG 58 -2.150 17.295 0.724 422 2HH1 ARG 58 2HH1 ARG 58 -1.181 18.518 1.478 423 1HH2 ARG 58 1HH2 ARG 58 -2.350 21.112 -0.551 424 2HH2 ARG 58 2HH2 ARG 58 -1.295 20.684 0.754 425 H VAL 59 H VAL 59 -5.129 14.228 -3.889 426 HA VAL 59 HA VAL 59 -5.694 11.582 -3.312 427 HB VAL 59 HB VAL 59 -7.605 11.795 -4.881 428 1HG1 VAL 59 1HG1 VAL 59 -8.317 12.577 -2.884 429 2HG1 VAL 59 2HG1 VAL 59 -8.364 14.109 -3.756 430 3HG1 VAL 59 3HG1 VAL 59 -6.981 13.720 -2.733 431 1HG2 VAL 59 1HG2 VAL 59 -6.381 14.480 -5.510 432 2HG2 VAL 59 2HG2 VAL 59 -7.969 13.923 -6.038 433 3HG2 VAL 59 3HG2 VAL 59 -6.514 13.112 -6.616 434 H SER 60 H SER 60 -4.430 12.980 -6.306 435 HA SER 60 HA SER 60 -4.647 10.653 -7.889 436 1HB SER 60 2HB SER 60 -2.530 12.803 -8.166 437 2HB SER 60 1HB SER 60 -3.155 11.744 -9.430 438 HG SER 60 HG SER 60 -5.256 12.789 -8.923 439 H LEU 61 H LEU 61 -2.137 11.792 -5.668 440 HA LEU 61 HA LEU 61 -0.119 9.992 -6.322 441 1HB LEU 61 2HB LEU 61 -0.136 11.926 -4.604 442 2HB LEU 61 1HB LEU 61 -0.740 10.732 -3.478 443 HG LEU 61 HG LEU 61 1.555 10.773 -3.062 444 1HD1 LEU 61 1HD1 LEU 61 2.402 8.647 -3.693 445 2HD1 LEU 61 2HD1 LEU 61 1.357 8.582 -5.109 446 3HD1 LEU 61 3HD1 LEU 61 0.658 8.477 -3.494 447 1HD2 LEU 61 1HD2 LEU 61 3.240 10.611 -4.929 448 2HD2 LEU 61 2HD2 LEU 61 2.359 12.135 -4.811 449 3HD2 LEU 61 3HD2 LEU 61 1.912 10.949 -6.039 450 H LEU 62 H LEU 62 -3.056 9.562 -4.426 451 HA LEU 62 HA LEU 62 -2.421 7.015 -3.409 452 1HB LEU 62 2HB LEU 62 -5.003 8.459 -3.898 453 2HB LEU 62 1HB LEU 62 -5.042 6.755 -3.502 454 HG LEU 62 HG LEU 62 -5.369 7.717 -1.424 455 1HD1 LEU 62 1HD1 LEU 62 -2.526 7.972 -0.897 456 2HD1 LEU 62 2HD1 LEU 62 -2.872 6.533 -1.841 457 3HD1 LEU 62 3HD1 LEU 62 -3.681 6.783 -0.300 458 1HD2 LEU 62 1HD2 LEU 62 -5.095 10.025 -2.184 459 2HD2 LEU 62 2HD2 LEU 62 -3.341 9.835 -2.172 460 3HD2 LEU 62 3HD2 LEU 62 -4.246 9.755 -0.662 461 H TYR 63 H TYR 63 -4.125 8.040 -6.343 462 HA TYR 63 HA TYR 63 -4.759 5.546 -7.363 463 1HB TYR 63 2HB TYR 63 -4.202 8.213 -8.584 464 2HB TYR 63 1HB TYR 63 -4.288 6.815 -9.651 465 HD1 TYR 63 1HD TYR 63 -6.235 8.168 -6.752 466 HD2 TYR 63 2HD TYR 63 -6.327 6.487 -10.659 467 HE1 TYR 63 1HE TYR 63 -8.688 8.334 -6.760 468 HE2 TYR 63 2HE TYR 63 -8.781 6.649 -10.678 469 HH TYR 63 HH TYR 63 -10.538 8.141 -9.463 470 H ASP 64 H ASP 64 -1.727 7.273 -7.311 471 HA ASP 64 HA ASP 64 -0.431 5.252 -8.953 472 1HB ASP 64 2HB ASP 64 0.756 7.735 -7.711 473 2HB ASP 64 1HB ASP 64 1.491 6.722 -8.950 474 H TRP 65 H TRP 65 -0.932 5.824 -5.589 475 HA TRP 65 HA TRP 65 1.555 4.745 -4.670 476 1HB TRP 65 2HB TRP 65 0.785 5.433 -2.668 477 2HB TRP 65 1HB TRP 65 -0.739 5.879 -3.434 478 HD1 TRP 65 HD TRP 65 0.882 2.809 -1.686 479 HE1 TRP 65 1HE TRP 65 -1.001 1.341 -0.740 480 HE3 TRP 65 3HE TRP 65 -3.130 5.418 -3.390 481 HZ2 TRP 65 2HZ TRP 65 -3.842 1.321 -0.709 482 HZ3 TRP 65 3HZ TRP 65 -5.374 4.650 -2.868 483 HH2 TRP 65 HH TRP 65 -5.731 2.641 -1.560 484 H LEU 66 H LEU 66 -1.730 3.418 -4.767 485 HA LEU 66 HA LEU 66 -0.859 0.779 -4.144 486 1HB LEU 66 2HB LEU 66 -3.247 2.167 -4.039 487 2HB LEU 66 1HB LEU 66 -3.526 0.996 -5.313 488 HG LEU 66 HG LEU 66 -2.763 0.425 -2.426 489 1HD1 LEU 66 1HD1 LEU 66 -5.145 -0.679 -3.841 490 2HD1 LEU 66 2HD1 LEU 66 -5.184 0.983 -3.253 491 3HD1 LEU 66 3HD1 LEU 66 -4.895 -0.343 -2.127 492 1HD2 LEU 66 1HD2 LEU 66 -1.640 -1.299 -3.396 493 2HD2 LEU 66 2HD2 LEU 66 -2.609 -1.260 -4.870 494 3HD2 LEU 66 3HD2 LEU 66 -3.257 -2.002 -3.408 495 H ASP 67 H ASP 67 -1.932 2.383 -7.123 496 HA ASP 67 HA ASP 67 -2.037 0.207 -8.819 497 1HB ASP 67 2HB ASP 67 -2.595 2.566 -9.447 498 2HB ASP 67 1HB ASP 67 -0.870 2.910 -9.532 499 H GLU 68 H GLU 68 0.726 1.921 -7.542 500 HA GLU 68 HA GLU 68 2.710 0.696 -9.158 501 1HB GLU 68 2HB GLU 68 2.635 2.689 -7.222 502 2HB GLU 68 1HB GLU 68 3.577 1.413 -6.466 503 1HG GLU 68 2HG GLU 68 5.355 1.918 -7.684 504 2HG GLU 68 1HG GLU 68 4.430 1.804 -9.180 505 H LEU 69 H LEU 69 1.372 0.008 -5.960 506 HA LEU 69 HA LEU 69 3.007 -2.226 -5.400 507 1HB LEU 69 2HB LEU 69 0.701 -0.901 -4.206 508 2HB LEU 69 1HB LEU 69 0.673 -2.639 -3.981 509 HG LEU 69 HG LEU 69 3.236 -2.101 -3.280 510 1HD1 LEU 69 1HD1 LEU 69 3.167 -0.120 -1.802 511 2HD1 LEU 69 2HD1 LEU 69 1.596 0.297 -2.486 512 3HD1 LEU 69 3HD1 LEU 69 3.029 0.282 -3.513 513 1HD2 LEU 69 1HD2 LEU 69 1.948 -3.455 -1.892 514 2HD2 LEU 69 2HD2 LEU 69 0.704 -2.223 -1.683 515 3HD2 LEU 69 3HD2 LEU 69 2.271 -2.036 -0.897 516 H LEU 70 H LEU 70 -0.004 -1.826 -7.125 517 HA LEU 70 HA LEU 70 -0.983 -4.411 -7.155 518 1HB LEU 70 2HB LEU 70 -1.841 -2.167 -8.235 519 2HB LEU 70 1HB LEU 70 -1.050 -2.800 -9.665 520 HG LEU 70 HG LEU 70 -2.511 -4.958 -8.947 521 1HD1 LEU 70 1HD1 LEU 70 -3.692 -4.109 -7.131 522 2HD1 LEU 70 2HD1 LEU 70 -4.821 -3.934 -8.475 523 3HD1 LEU 70 3HD1 LEU 70 -3.920 -2.534 -7.892 524 1HD2 LEU 70 1HD2 LEU 70 -4.279 -3.868 -10.552 525 2HD2 LEU 70 2HD2 LEU 70 -2.681 -4.326 -11.144 526 3HD2 LEU 70 3HD2 LEU 70 -3.026 -2.642 -10.749 527 H PHE 71 H PHE 71 1.273 -2.938 -9.489 528 HA PHE 71 HA PHE 71 1.716 -5.374 -10.900 529 1HB PHE 71 2HB PHE 71 2.214 -2.733 -11.421 530 2HB PHE 71 1HB PHE 71 3.831 -3.335 -11.071 531 HD1 PHE 71 1HD PHE 71 5.044 -4.433 -12.712 532 HD2 PHE 71 2HD PHE 71 0.829 -4.034 -13.148 533 HE1 PHE 71 1HE PHE 71 5.198 -5.345 -14.993 534 HE2 PHE 71 2HE PHE 71 0.975 -4.946 -15.429 535 HZ PHE 71 HZ PHE 71 3.161 -5.603 -16.354 536 H ILE 72 H ILE 72 3.521 -3.593 -8.433 537 HA ILE 72 HA ILE 72 5.787 -5.246 -8.356 538 HB ILE 72 HB ILE 72 4.607 -3.639 -6.086 539 1HG1 ILE 72 2HG1 ILE 72 6.851 -2.754 -7.878 540 2HG1 ILE 72 1HG1 ILE 72 5.176 -2.489 -8.350 541 1HG2 ILE 72 1HG2 ILE 72 6.356 -4.230 -4.844 542 2HG2 ILE 72 2HG2 ILE 72 7.485 -3.855 -6.145 543 3HG2 ILE 72 3HG2 ILE 72 6.729 -5.445 -6.066 544 1HD1 ILE 72 1HD1 ILE 72 6.178 -0.536 -7.260 545 2HD1 ILE 72 2HD1 ILE 72 6.431 -1.497 -5.803 546 3HD1 ILE 72 3HD1 ILE 72 4.793 -1.165 -6.368 547 H HIS 73 H HIS 73 2.653 -5.510 -6.785 548 HA HIS 73 HA HIS 73 3.162 -7.328 -4.789 549 1HB HIS 73 2HB HIS 73 0.872 -6.351 -6.139 550 2HB HIS 73 1HB HIS 73 0.734 -8.105 -6.110 551 HD1 HIS 73 1HD HIS 73 2.279 -8.217 -3.237 552 HD2 HIS 73 2HD HIS 73 -1.165 -6.110 -4.219 553 HE1 HIS 73 1HE HIS 73 1.075 -7.845 -1.061 554 HE2 HIS 73 2HE HIS 73 -1.044 -6.636 -1.689 555 H ASP 74 H ASP 74 2.327 -8.131 -8.173 556 HA ASP 74 HA ASP 74 2.829 -10.919 -7.754 557 1HB ASP 74 2HB ASP 74 1.388 -9.610 -9.611 558 2HB ASP 74 1HB ASP 74 2.885 -9.815 -10.515 559 H THR 75 H THR 75 4.690 -8.187 -8.865 560 HA THR 75 HA THR 75 6.839 -9.661 -9.957 561 HB THR 75 HB THR 75 6.922 -6.929 -8.652 562 HG1 THR 75 1HG THR 75 6.372 -6.113 -10.590 563 1HG2 THR 75 1HG2 THR 75 8.646 -7.299 -10.927 564 2HG2 THR 75 2HG2 THR 75 9.031 -8.439 -9.636 565 3HG2 THR 75 3HG2 THR 75 9.021 -6.705 -9.309 566 H GLU 76 H GLU 76 5.723 -9.143 -6.794 567 HA GLU 76 HA GLU 76 7.642 -10.892 -5.708 568 1HB GLU 76 2HB GLU 76 8.136 -8.015 -5.486 569 2HB GLU 76 1HB GLU 76 8.119 -8.838 -3.931 570 1HG GLU 76 2HG GLU 76 10.024 -9.969 -4.351 571 2HG GLU 76 1HG GLU 76 9.684 -10.124 -6.074 572 H PHE 77 H PHE 77 5.457 -11.740 -5.487 573 HA PHE 77 HA PHE 77 3.525 -10.658 -3.788 574 1HB PHE 77 2HB PHE 77 3.649 -12.877 -5.336 575 2HB PHE 77 1HB PHE 77 3.829 -13.600 -3.741 576 HD1 PHE 77 1HD PHE 77 1.627 -11.525 -5.851 577 HD2 PHE 77 2HD PHE 77 1.996 -13.792 -2.269 578 HE1 PHE 77 1HE PHE 77 -0.809 -11.402 -5.527 579 HE2 PHE 77 2HE PHE 77 -0.440 -13.674 -1.938 580 HZ PHE 77 HZ PHE 77 -1.846 -12.478 -3.569 581 H ILE 78 H ILE 78 4.409 -9.793 -1.944 582 HA ILE 78 HA ILE 78 5.664 -11.700 -0.081 583 HB ILE 78 HB ILE 78 6.707 -9.812 1.025 584 1HG1 ILE 78 2HG1 ILE 78 5.339 -8.105 -1.068 585 2HG1 ILE 78 1HG1 ILE 78 4.922 -8.155 0.641 586 1HG2 ILE 78 1HG2 ILE 78 7.903 -8.872 -1.166 587 2HG2 ILE 78 2HG2 ILE 78 7.080 -10.263 -1.874 588 3HG2 ILE 78 3HG2 ILE 78 8.202 -10.493 -0.537 589 1HD1 ILE 78 1HD1 ILE 78 6.388 -6.552 1.027 590 2HD1 ILE 78 2HD1 ILE 78 6.841 -6.540 -0.676 591 3HD1 ILE 78 3HD1 ILE 78 7.686 -7.597 0.454 592 H LEU 79 H LEU 79 4.814 -12.024 1.899 593 HA LEU 79 HA LEU 79 2.112 -11.371 2.358 594 1HB LEU 79 2HB LEU 79 3.994 -12.231 4.532 595 2HB LEU 79 1HB LEU 79 2.284 -12.565 4.376 596 HG LEU 79 HG LEU 79 3.070 -14.609 3.793 597 1HD1 LEU 79 1HD1 LEU 79 3.758 -13.681 1.077 598 2HD1 LEU 79 2HD1 LEU 79 2.152 -13.262 1.671 599 3HD1 LEU 79 3HD1 LEU 79 2.653 -14.950 1.602 600 1HD2 LEU 79 1HD2 LEU 79 5.506 -13.423 3.928 601 2HD2 LEU 79 2HD2 LEU 79 5.440 -13.884 2.227 602 3HD2 LEU 79 3HD2 LEU 79 5.233 -15.106 3.481 603 H PHE 80 H PHE 80 4.753 -10.547 4.612 604 HA PHE 80 HA PHE 80 3.477 -7.914 4.961 605 1HB PHE 80 2HB PHE 80 3.318 -9.644 6.889 606 2HB PHE 80 1HB PHE 80 5.015 -9.266 7.157 607 HD1 PHE 80 1HD PHE 80 5.572 -6.718 7.367 608 HD2 PHE 80 2HD PHE 80 1.708 -8.399 7.955 609 HE1 PHE 80 1HE PHE 80 4.922 -4.749 8.691 610 HE2 PHE 80 2HE PHE 80 1.050 -6.433 9.281 611 HZ PHE 80 HZ PHE 80 2.659 -4.605 9.651 612 H SER 81 H SER 81 4.795 -6.133 5.196 613 HA SER 81 HA SER 81 7.673 -6.429 5.202 614 1HB SER 81 2HB SER 81 7.968 -5.142 3.100 615 2HB SER 81 1HB SER 81 7.195 -6.706 2.838 616 HG SER 81 HG SER 81 6.299 -4.512 1.948 617 H LYS 82 H LYS 82 8.780 -4.291 5.271 618 HA LYS 82 HA LYS 82 7.322 -2.524 7.027 619 1HB LYS 82 2HB LYS 82 10.068 -3.129 6.492 620 2HB LYS 82 1HB LYS 82 9.833 -1.396 6.304 621 1HG LYS 82 2HG LYS 82 9.020 -1.185 8.529 622 2HG LYS 82 1HG LYS 82 8.939 -2.938 8.726 623 1HD LYS 82 2HD LYS 82 11.163 -3.130 9.109 624 2HD LYS 82 1HD LYS 82 11.576 -1.832 7.986 625 1HE LYS 82 2HE LYS 82 10.267 -1.319 10.643 626 2HE LYS 82 1HE LYS 82 12.017 -1.403 10.452 627 1HZ LYS 82 1HZ LYS 82 11.765 0.794 10.103 628 2HZ LYS 82 2HZ LYS 82 10.155 0.659 9.598 629 3HZ LYS 82 3HZ LYS 82 11.410 0.308 8.521 630 H PHE 83 H PHE 83 6.772 -0.388 6.637 631 HA PHE 83 HA PHE 83 6.856 0.442 3.803 632 1HB PHE 83 2HB PHE 83 4.695 1.045 5.826 633 2HB PHE 83 1HB PHE 83 4.683 1.468 4.121 634 HD1 PHE 83 1HD PHE 83 4.251 -0.194 2.424 635 HD2 PHE 83 2HD PHE 83 4.291 -1.225 6.552 636 HE1 PHE 83 1HE PHE 83 3.152 -2.332 1.896 637 HE2 PHE 83 2HE PHE 83 3.193 -3.365 6.033 638 HZ PHE 83 HZ PHE 83 2.622 -3.921 3.702 639 H LYS 84 H LYS 84 7.899 2.193 3.381 640 HA LYS 84 HA LYS 84 8.009 4.373 5.341 641 1HB LYS 84 2HB LYS 84 10.239 4.231 5.541 642 2HB LYS 84 1HB LYS 84 10.216 2.772 4.563 643 1HG LYS 84 2HG LYS 84 10.543 4.058 2.554 644 2HG LYS 84 1HG LYS 84 10.423 5.566 3.461 645 1HD LYS 84 2HD LYS 84 12.395 4.531 4.845 646 2HD LYS 84 1HD LYS 84 12.632 3.558 3.392 647 1HE LYS 84 2HE LYS 84 12.526 5.825 2.149 648 2HE LYS 84 1HE LYS 84 12.836 6.528 3.736 649 1HZ LYS 84 1HZ LYS 84 14.775 5.851 2.107 650 2HZ LYS 84 2HZ LYS 84 14.577 4.351 2.862 651 3HZ LYS 84 3HZ LYS 84 14.940 5.721 3.786 652 H VAL 85 H VAL 85 7.494 6.325 4.435 653 HA VAL 85 HA VAL 85 7.511 6.471 1.501 654 HB VAL 85 HB VAL 85 5.295 6.227 1.639 655 1HG1 VAL 85 1HG1 VAL 85 5.083 7.575 4.315 656 2HG1 VAL 85 2HG1 VAL 85 5.481 5.866 4.146 657 3HG1 VAL 85 3HG1 VAL 85 3.944 6.476 3.544 658 1HG2 VAL 85 1HG2 VAL 85 5.508 9.114 2.416 659 2HG2 VAL 85 2HG2 VAL 85 4.047 8.326 1.830 660 3HG2 VAL 85 3HG2 VAL 85 5.463 8.445 0.786 661 H LYS 86 H LYS 86 7.721 8.441 0.557 662 HA LYS 86 HA LYS 86 8.639 10.648 2.272 663 1HB LYS 86 2HB LYS 86 10.294 9.048 0.875 664 2HB LYS 86 1HB LYS 86 9.880 10.190 -0.389 665 1HG LYS 86 2HG LYS 86 11.595 11.387 0.408 666 2HG LYS 86 1HG LYS 86 10.469 11.869 1.677 667 1HD LYS 86 2HD LYS 86 12.246 9.444 1.871 668 2HD LYS 86 1HD LYS 86 12.707 11.037 2.476 669 1HE LYS 86 2HE LYS 86 10.315 9.418 3.346 670 2HE LYS 86 1HE LYS 86 11.799 9.657 4.266 671 1HZ LYS 86 1HZ LYS 86 11.284 12.092 4.179 672 2HZ LYS 86 2HZ LYS 86 10.213 11.168 5.106 673 3HZ LYS 86 3HZ LYS 86 9.760 11.690 3.563 674 H ILE 87 H ILE 87 7.388 12.449 1.875 675 HA ILE 87 HA ILE 87 6.306 12.728 -0.857 676 HB ILE 87 HB ILE 87 5.214 14.057 1.627 677 1HG1 ILE 87 2HG1 ILE 87 4.277 11.613 0.107 678 2HG1 ILE 87 1HG1 ILE 87 4.746 11.697 1.801 679 1HG2 ILE 87 1HG2 ILE 87 4.813 15.349 -0.359 680 2HG2 ILE 87 2HG2 ILE 87 3.304 14.565 0.112 681 3HG2 ILE 87 3HG2 ILE 87 4.256 13.917 -1.227 682 1HD1 ILE 87 1HD1 ILE 87 2.780 13.364 2.012 683 2HD1 ILE 87 2HD1 ILE 87 2.436 11.640 1.900 684 3HD1 ILE 87 3HD1 ILE 87 2.246 12.669 0.481 685 H ASP 88 H ASP 88 7.069 14.338 -2.078 686 HA ASP 88 HA ASP 88 8.238 16.670 -0.733 687 1HB ASP 88 2HB ASP 88 9.436 15.027 -2.964 688 2HB ASP 88 1HB ASP 88 9.985 16.655 -2.576 689 H GLU 89 H GLU 89 7.333 18.488 -1.408 690 HA GLU 89 HA GLU 89 5.679 18.551 -3.785 691 1HB GLU 89 2HB GLU 89 6.437 20.981 -2.191 692 2HB GLU 89 1HB GLU 89 4.949 20.653 -3.069 693 1HG GLU 89 2HG GLU 89 4.268 19.054 -1.393 694 2HG GLU 89 1HG GLU 89 5.790 19.272 -0.531 695 H LYS 90 H LYS 90 6.525 18.759 -5.691 696 HA LYS 90 HA LYS 90 9.193 19.679 -6.057 697 1HB LYS 90 2HB LYS 90 7.018 18.895 -7.994 698 2HB LYS 90 1HB LYS 90 8.616 19.402 -8.516 699 1HG LYS 90 2HG LYS 90 7.809 16.928 -7.052 700 2HG LYS 90 1HG LYS 90 8.772 17.097 -8.522 701 1HD LYS 90 2HD LYS 90 10.316 18.446 -6.759 702 2HD LYS 90 1HD LYS 90 9.580 17.241 -5.689 703 1HE LYS 90 2HE LYS 90 11.283 15.942 -6.388 704 2HE LYS 90 1HE LYS 90 10.263 15.692 -7.803 705 1HZ LYS 90 1HZ LYS 90 11.444 17.709 -8.752 706 2HZ LYS 90 2HZ LYS 90 12.341 16.278 -8.648 707 3HZ LYS 90 3HZ LYS 90 12.577 17.509 -7.511 708 H ASP 91 H ASP 91 9.200 21.120 -8.341 709 HA ASP 91 HA ASP 91 8.908 23.696 -7.406 710 1HB ASP 91 2HB ASP 91 10.146 22.606 -9.523 711 2HB ASP 91 1HB ASP 91 8.761 23.325 -10.338 712 H ASP 92 H ASP 92 6.344 21.797 -7.827 713 HA ASP 92 HA ASP 92 4.419 23.769 -7.761 714 1HB ASP 92 2HB ASP 92 3.418 23.498 -10.077 715 2HB ASP 92 1HB ASP 92 4.906 24.436 -10.004 716 H GLY 93 H GLY 93 5.277 20.578 -8.927 717 1HA GLY 93 2HA GLY 93 2.616 19.550 -8.284 718 2HA GLY 93 1HA GLY 93 3.900 18.669 -9.102 719 H LEU 94 H LEU 94 3.320 16.955 -7.587 720 HA LEU 94 HA LEU 94 4.835 17.253 -5.102 721 1HB LEU 94 2HB LEU 94 3.090 16.898 -3.766 722 2HB LEU 94 1HB LEU 94 2.081 17.211 -5.163 723 HG LEU 94 HG LEU 94 2.378 14.626 -5.573 724 1HD1 LEU 94 1HD1 LEU 94 2.219 13.805 -2.985 725 2HD1 LEU 94 2HD1 LEU 94 3.453 15.066 -2.887 726 3HD1 LEU 94 3HD1 LEU 94 3.665 13.706 -3.991 727 1HD2 LEU 94 1HD2 LEU 94 0.456 14.434 -3.703 728 2HD2 LEU 94 2HD2 LEU 94 0.202 15.154 -5.293 729 3HD2 LEU 94 3HD2 LEU 94 0.518 16.185 -3.897 730 H HIS 95 H HIS 95 5.948 15.426 -4.431 731 HA HIS 95 HA HIS 95 5.766 13.065 -6.195 732 1HB HIS 95 2HB HIS 95 7.795 14.719 -6.450 733 2HB HIS 95 1HB HIS 95 8.384 13.906 -5.004 734 HD1 HIS 95 1HD HIS 95 7.651 13.308 -8.631 735 HD2 HIS 95 2HD HIS 95 9.329 11.322 -5.391 736 HE1 HIS 95 1HE HIS 95 8.766 11.272 -9.596 737 HE2 HIS 95 2HE HIS 95 9.906 10.178 -7.637 738 H LEU 96 H LEU 96 6.040 11.066 -5.264 739 HA LEU 96 HA LEU 96 6.329 11.018 -2.339 740 1HB LEU 96 2HB LEU 96 4.008 10.549 -3.051 741 2HB LEU 96 1HB LEU 96 4.594 9.196 -4.002 742 HG LEU 96 HG LEU 96 5.230 9.252 -1.090 743 1HD1 LEU 96 1HD1 LEU 96 2.693 7.954 -1.843 744 2HD1 LEU 96 2HD1 LEU 96 2.673 9.715 -1.742 745 3HD1 LEU 96 3HD1 LEU 96 3.163 8.757 -0.344 746 1HD2 LEU 96 1HD2 LEU 96 5.767 7.113 -1.427 747 2HD2 LEU 96 2HD2 LEU 96 5.680 7.481 -3.149 748 3HD2 LEU 96 3HD2 LEU 96 4.283 6.792 -2.323 749 H THR 97 H THR 97 7.737 9.568 -1.495 750 HA THR 97 HA THR 97 8.944 7.615 -3.343 751 HB THR 97 HB THR 97 10.690 8.619 -1.187 752 HG1 THR 97 1HG THR 97 11.196 10.508 -2.357 753 1HG2 THR 97 1HG2 THR 97 12.054 8.884 -3.513 754 2HG2 THR 97 2HG2 THR 97 10.948 7.565 -3.897 755 3HG2 THR 97 3HG2 THR 97 12.032 7.432 -2.512 756 H GLY 98 H GLY 98 8.619 5.658 -2.665 757 1HA GLY 98 2HA GLY 98 8.278 5.163 0.215 758 2HA GLY 98 1HA GLY 98 7.308 4.357 -1.000 759 H THR 99 H THR 99 9.018 3.272 1.119 760 HA THR 99 HA THR 99 10.777 1.623 -0.571 761 HB THR 99 HB THR 99 11.378 2.262 2.304 762 HG1 THR 99 1HG THR 99 12.854 3.835 1.430 763 1HG2 THR 99 1HG2 THR 99 13.607 1.626 1.808 764 2HG2 THR 99 2HG2 THR 99 13.264 1.531 0.080 765 3HG2 THR 99 3HG2 THR 99 12.551 0.357 1.185 766 H ALA 100 H ALA 100 10.788 -0.582 -0.155 767 HA ALA 100 HA ALA 100 9.146 -1.525 2.092 768 1HB ALA 100 1HB ALA 100 7.865 -2.979 0.790 769 2HB ALA 100 2HB ALA 100 8.956 -2.853 -0.591 770 3HB ALA 100 3HB ALA 100 7.913 -1.496 -0.163 771 H MET 101 H MET 101 10.025 -3.133 3.204 772 HA MET 101 HA MET 101 12.176 -4.749 1.988 773 1HB MET 101 2HB MET 101 12.267 -3.770 4.849 774 2HB MET 101 1HB MET 101 13.556 -4.518 3.920 775 1HG MET 101 2HG MET 101 14.261 -2.389 3.757 776 2HG MET 101 1HG MET 101 13.136 -2.364 2.401 777 1HE MET 101 1HE MET 101 13.082 -0.786 6.482 778 2HE MET 101 2HE MET 101 13.659 0.465 5.381 779 3HE MET 101 3HE MET 101 14.407 -1.132 5.371 780 H GLY 102 H GLY 102 12.471 -6.839 2.985 781 1HA GLY 102 2HA GLY 102 11.784 -8.601 4.433 782 2HA GLY 102 1HA GLY 102 10.340 -7.681 4.827 783 H GLU 103 H GLU 103 11.610 -8.324 1.640 784 HA GLU 103 HA GLU 103 9.076 -9.566 0.909 785 1HB GLU 103 2HB GLU 103 9.525 -7.882 -0.598 786 2HB GLU 103 1HB GLU 103 11.257 -8.128 -0.513 787 1HG GLU 103 2HG GLU 103 9.792 -10.370 -1.696 788 2HG GLU 103 1HG GLU 103 9.654 -8.859 -2.592 789 H GLU 104 H GLU 104 8.930 -11.707 0.829 790 HA GLU 104 HA GLU 104 10.553 -13.427 -0.576 791 1HB GLU 104 2HB GLU 104 11.770 -12.672 1.902 792 2HB GLU 104 1HB GLU 104 11.343 -14.375 1.984 793 1HG GLU 104 2HG GLU 104 12.538 -14.719 -0.162 794 2HG GLU 104 1HG GLU 104 13.062 -13.037 -0.089 795 H ILE 105 H ILE 105 8.382 -14.101 -0.980 796 HA ILE 105 HA ILE 105 6.744 -15.179 1.094 797 HB ILE 105 HB ILE 105 5.921 -14.267 -1.134 798 1HG1 ILE 105 2HG1 ILE 105 4.828 -17.019 -0.671 799 2HG1 ILE 105 1HG1 ILE 105 4.693 -15.804 0.595 800 1HG2 ILE 105 1HG2 ILE 105 6.011 -15.517 -3.077 801 2HG2 ILE 105 2HG2 ILE 105 6.372 -17.015 -2.220 802 3HG2 ILE 105 3HG2 ILE 105 7.613 -15.774 -2.387 803 1HD1 ILE 105 1HD1 ILE 105 2.694 -15.591 -0.522 804 2HD1 ILE 105 2HD1 ILE 105 3.426 -15.872 -2.102 805 3HD1 ILE 105 3HD1 ILE 105 3.674 -14.334 -1.275 806 H LYS 106 H LYS 106 6.928 -17.093 2.051 807 HA LYS 106 HA LYS 106 8.539 -19.169 0.728 808 1HB LYS 106 2HB LYS 106 9.358 -18.390 2.925 809 2HB LYS 106 1HB LYS 106 7.831 -18.872 3.653 810 1HG LYS 106 2HG LYS 106 8.916 -20.768 4.129 811 2HG LYS 106 1HG LYS 106 8.580 -21.181 2.447 812 1HD LYS 106 2HD LYS 106 10.741 -20.512 1.752 813 2HD LYS 106 1HD LYS 106 11.065 -19.710 3.290 814 1HE LYS 106 2HE LYS 106 10.608 -22.674 3.011 815 2HE LYS 106 1HE LYS 106 12.204 -21.925 2.980 816 1HZ LYS 106 1HZ LYS 106 11.834 -21.082 5.197 817 2HZ LYS 106 2HZ LYS 106 11.616 -22.759 5.184 818 3HZ LYS 106 3HZ LYS 106 10.272 -21.734 5.228 819 H GLU 107 H GLU 107 7.777 -21.245 0.495 820 HA GLU 107 HA GLU 107 5.058 -21.627 0.060 821 1HB GLU 107 2HB GLU 107 7.123 -23.747 0.676 822 2HB GLU 107 1HB GLU 107 5.572 -24.014 -0.107 823 1HG GLU 107 2HG GLU 107 7.613 -22.157 -1.271 824 2HG GLU 107 1HG GLU 107 7.657 -23.894 -1.573 825 H GLY 108 H GLY 108 3.394 -21.905 1.391 826 1HA GLY 108 2HA GLY 108 2.241 -22.895 3.193 827 2HA GLY 108 1HA GLY 108 3.785 -23.287 3.936 828 H HIS 109 H HIS 109 2.986 -20.118 2.690 829 HA HIS 109 HA HIS 109 3.766 -18.763 5.005 830 1HB HIS 109 2HB HIS 109 2.652 -16.789 3.988 831 2HB HIS 109 1HB HIS 109 3.697 -17.643 2.857 832 HD1 HIS 109 1HD HIS 109 2.641 -17.524 0.630 833 HD2 HIS 109 2HD HIS 109 -0.160 -18.188 3.627 834 HE1 HIS 109 1HE HIS 109 0.439 -17.789 -0.555 835 HE2 HIS 109 2HE HIS 109 -1.256 -18.089 1.287 836 H GLU 110 H GLU 110 2.480 -17.483 6.476 837 HA GLU 110 HA GLU 110 0.669 -18.827 7.978 838 1HB GLU 110 2HB GLU 110 1.766 -16.606 8.487 839 2HB GLU 110 1HB GLU 110 0.487 -15.846 7.550 840 1HG GLU 110 2HG GLU 110 -0.989 -16.026 9.208 841 2HG GLU 110 1HG GLU 110 -0.510 -17.682 9.580 842 H ARG 111 H ARG 111 -1.506 -19.163 8.070 843 HA ARG 111 HA ARG 111 -2.972 -18.703 5.599 844 1HB ARG 111 2HB ARG 111 -3.673 -20.301 8.066 845 2HB ARG 111 1HB ARG 111 -4.671 -20.202 6.621 846 1HG ARG 111 2HG ARG 111 -1.924 -21.405 6.859 847 2HG ARG 111 1HG ARG 111 -3.443 -22.248 6.558 848 1HD ARG 111 2HD ARG 111 -3.364 -20.385 4.537 849 2HD ARG 111 1HD ARG 111 -1.672 -20.849 4.708 850 HE ARG 111 HE ARG 111 -2.184 -22.924 3.872 851 1HH1 ARG 111 1HH1 ARG 111 -5.141 -21.258 4.689 852 2HH1 ARG 111 2HH1 ARG 111 -6.159 -22.436 3.931 853 1HH2 ARG 111 1HH2 ARG 111 -3.522 -24.472 2.874 854 2HH2 ARG 111 2HH2 ARG 111 -5.241 -24.261 2.901 855 H ARG 112 H ARG 112 -4.673 -17.388 5.356 856 HA ARG 112 HA ARG 112 -6.202 -16.332 7.519 857 1HB ARG 112 2HB ARG 112 -3.838 -14.992 7.113 858 2HB ARG 112 1HB ARG 112 -4.955 -14.072 6.113 859 1HG ARG 112 2HG ARG 112 -6.395 -13.684 8.013 860 2HG ARG 112 1HG ARG 112 -5.366 -14.695 9.030 861 1HD ARG 112 2HD ARG 112 -3.568 -12.918 8.017 862 2HD ARG 112 1HD ARG 112 -5.015 -11.919 8.153 863 HE ARG 112 HE ARG 112 -4.832 -12.015 10.437 864 1HH1 ARG 112 1HH1 ARG 112 -2.743 -14.427 9.024 865 2HH1 ARG 112 2HH1 ARG 112 -1.958 -14.805 10.520 866 1HH2 ARG 112 1HH2 ARG 112 -3.801 -12.510 12.407 867 2HH2 ARG 112 2HH2 ARG 112 -2.559 -13.717 12.442 868 H ASP 113 H ASP 113 -7.566 -14.341 6.536 869 HA ASP 113 HA ASP 113 -8.711 -15.426 4.088 870 1HB ASP 113 2HB ASP 113 -10.536 -13.783 4.509 871 2HB ASP 113 1HB ASP 113 -10.269 -14.883 5.859 872 H GLU 114 H GLU 114 -8.378 -14.605 2.137 873 HA GLU 114 HA GLU 114 -7.245 -11.894 1.928 874 1HB GLU 114 2HB GLU 114 -6.660 -14.120 -0.014 875 2HB GLU 114 1HB GLU 114 -5.822 -12.585 0.165 876 1HG GLU 114 2HG GLU 114 -4.377 -13.515 1.550 877 2HG GLU 114 1HG GLU 114 -5.685 -13.964 2.643 878 H VAL 115 H VAL 115 -7.957 -10.575 0.274 879 HA VAL 115 HA VAL 115 -10.593 -11.049 -0.724 880 HB VAL 115 HB VAL 115 -10.067 -8.978 -2.125 881 1HG1 VAL 115 1HG1 VAL 115 -9.563 -8.219 0.674 882 2HG1 VAL 115 2HG1 VAL 115 -10.973 -9.241 0.393 883 3HG1 VAL 115 3HG1 VAL 115 -10.828 -7.692 -0.437 884 1HG2 VAL 115 1HG2 VAL 115 -8.063 -7.956 -2.062 885 2HG2 VAL 115 2HG2 VAL 115 -7.480 -9.555 -1.599 886 3HG2 VAL 115 3HG2 VAL 115 -7.806 -8.343 -0.360 887 H LYS 116 H LYS 116 -10.923 -12.551 -2.239 888 HA LYS 116 HA LYS 116 -9.129 -13.720 -3.935 889 1HB LYS 116 2HB LYS 116 -12.046 -13.503 -3.813 890 2HB LYS 116 1HB LYS 116 -11.431 -13.803 -5.432 891 1HG LYS 116 2HG LYS 116 -10.662 -15.457 -3.043 892 2HG LYS 116 1HG LYS 116 -12.023 -15.839 -4.099 893 1HD LYS 116 2HD LYS 116 -9.243 -15.427 -5.166 894 2HD LYS 116 1HD LYS 116 -9.797 -16.998 -4.583 895 1HE LYS 116 2HE LYS 116 -11.841 -16.222 -6.237 896 2HE LYS 116 1HE LYS 116 -10.420 -15.583 -7.064 897 1HZ LYS 116 1HZ LYS 116 -9.518 -17.689 -7.309 898 2HZ LYS 116 2HZ LYS 116 -11.165 -17.959 -7.585 899 3HZ LYS 116 3HZ LYS 116 -10.480 -18.369 -6.094 900 H ALA 117 H ALA 117 -10.419 -10.532 -4.229 901 HA ALA 117 HA ALA 117 -8.872 -10.171 -6.665 902 1HB ALA 117 1HB ALA 117 -10.545 -9.759 -8.103 903 2HB ALA 117 2HB ALA 117 -11.540 -8.966 -6.882 904 3HB ALA 117 3HB ALA 117 -11.501 -10.726 -6.981 905 H VAL 118 H VAL 118 -7.548 -8.591 -5.999 906 HA VAL 118 HA VAL 118 -8.454 -6.496 -4.219 907 HB VAL 118 HB VAL 118 -6.198 -7.266 -3.917 908 1HG1 VAL 118 1HG1 VAL 118 -6.166 -7.286 -6.790 909 2HG1 VAL 118 2HG1 VAL 118 -5.062 -8.057 -5.652 910 3HG1 VAL 118 3HG1 VAL 118 -4.778 -6.395 -6.168 911 1HG2 VAL 118 1HG2 VAL 118 -5.419 -4.756 -5.189 912 2HG2 VAL 118 2HG2 VAL 118 -5.364 -5.231 -3.493 913 3HG2 VAL 118 3HG2 VAL 118 -6.865 -4.618 -4.188 914 H THR 119 H THR 119 -9.750 -5.001 -5.067 915 HA THR 119 HA THR 119 -9.025 -3.850 -7.679 916 HB THR 119 HB THR 119 -11.758 -3.976 -6.392 917 HG1 THR 119 1HG THR 119 -12.196 -5.504 -7.970 918 1HG2 THR 119 1HG2 THR 119 -10.962 -2.145 -8.227 919 2HG2 THR 119 2HG2 THR 119 -12.612 -2.738 -8.038 920 3HG2 THR 119 3HG2 THR 119 -11.553 -3.447 -9.257 921 H PHE 120 H PHE 120 -8.310 -1.828 -7.620 922 HA PHE 120 HA PHE 120 -8.272 -0.283 -5.240 923 1HB PHE 120 2HB PHE 120 -7.652 1.592 -6.989 924 2HB PHE 120 1HB PHE 120 -6.516 0.298 -6.633 925 HD1 PHE 120 1HD PHE 120 -5.295 0.227 -8.626 926 HD2 PHE 120 2HD PHE 120 -9.546 0.059 -8.761 927 HE1 PHE 120 1HE PHE 120 -5.196 -0.339 -11.018 928 HE2 PHE 120 2HE PHE 120 -9.453 -0.507 -11.150 929 HZ PHE 120 HZ PHE 120 -7.276 -0.707 -12.283 930 H HIS 121 H HIS 121 -10.678 -0.578 -4.907 931 HA HIS 121 HA HIS 121 -12.441 0.921 -6.563 932 1HB HIS 121 2HB HIS 121 -13.043 -1.138 -5.241 933 2HB HIS 121 1HB HIS 121 -13.041 -0.118 -3.810 934 HD1 HIS 121 1HD HIS 121 -14.342 2.133 -6.069 935 HD2 HIS 121 2HD HIS 121 -15.873 -1.366 -4.432 936 HE1 HIS 121 1HE HIS 121 -16.838 2.314 -6.311 937 HE2 HIS 121 2HE HIS 121 -17.737 0.142 -5.405 938 H MET 122 H MET 122 -11.065 1.490 -3.319 939 HA MET 122 HA MET 122 -12.293 4.148 -3.337 940 1HB MET 122 2HB MET 122 -11.093 2.429 -1.185 941 2HB MET 122 1HB MET 122 -11.279 4.160 -0.941 942 1HG MET 122 2HG MET 122 -13.482 2.202 -1.550 943 2HG MET 122 1HG MET 122 -13.143 2.945 0.012 944 1HE MET 122 1HE MET 122 -16.419 4.789 -0.774 945 2HE MET 122 2HE MET 122 -15.367 4.312 0.559 946 3HE MET 122 3HE MET 122 -15.906 3.109 -0.612 947 H MET 123 H MET 123 -9.177 2.827 -2.250 948 HA MET 123 HA MET 123 -7.135 3.897 -2.100 949 1HB MET 123 2HB MET 123 -6.222 4.211 -4.473 950 2HB MET 123 1HB MET 123 -6.775 2.607 -4.017 951 1HG MET 123 2HG MET 123 -8.354 2.590 -5.581 952 2HG MET 123 1HG MET 123 -8.862 4.231 -5.211 953 1HE MET 123 1HE MET 123 -8.500 4.550 -8.897 954 2HE MET 123 2HE MET 123 -9.407 3.651 -7.678 955 3HE MET 123 3HE MET 123 -8.168 2.838 -8.633 956 H GLU 124 H GLU 124 -8.100 5.823 -1.057 957 HA GLU 124 HA GLU 124 -7.115 8.186 -2.327 958 1HB GLU 124 2HB GLU 124 -9.978 7.570 -2.447 959 2HB GLU 124 1HB GLU 124 -9.635 9.143 -1.740 960 1HG GLU 124 2HG GLU 124 -8.117 9.472 -3.806 961 2HG GLU 124 1HG GLU 124 -9.047 8.141 -4.491 962 H ILE 125 H ILE 125 -6.475 9.621 -0.796 963 HA ILE 125 HA ILE 125 -7.215 8.978 1.966 964 HB ILE 125 HB ILE 125 -4.859 10.593 0.985 965 1HG1 ILE 125 2HG1 ILE 125 -4.811 7.866 2.269 966 2HG1 ILE 125 1HG1 ILE 125 -4.883 8.080 0.524 967 1HG2 ILE 125 1HG2 ILE 125 -4.972 9.496 3.731 968 2HG2 ILE 125 2HG2 ILE 125 -5.991 10.892 3.385 969 3HG2 ILE 125 3HG2 ILE 125 -4.249 10.988 3.133 970 1HD1 ILE 125 1HD1 ILE 125 -2.607 7.685 1.328 971 2HD1 ILE 125 2HD1 ILE 125 -2.714 9.142 2.315 972 3HD1 ILE 125 3HD1 ILE 125 -2.772 9.263 0.558 973 H LEU 126 H LEU 126 -8.674 10.199 2.875 974 HA LEU 126 HA LEU 126 -8.990 12.973 1.948 975 1HB LEU 126 2HB LEU 126 -11.180 12.741 3.371 976 2HB LEU 126 1HB LEU 126 -11.098 12.124 1.736 977 HG LEU 126 HG LEU 126 -12.248 10.625 3.362 978 1HD1 LEU 126 1HD1 LEU 126 -11.756 9.105 1.839 979 2HD1 LEU 126 2HD1 LEU 126 -10.252 8.760 2.692 980 3HD1 LEU 126 3HD1 LEU 126 -10.280 9.965 1.405 981 1HD2 LEU 126 1HD2 LEU 126 -9.545 9.944 4.457 982 2HD2 LEU 126 2HD2 LEU 126 -11.138 9.535 5.086 983 3HD2 LEU 126 3HD2 LEU 126 -10.544 11.190 5.201 984 H ASP 127 H ASP 127 -8.742 14.677 3.306 985 HA ASP 127 HA ASP 127 -7.574 14.065 5.906 986 1HB ASP 127 2HB ASP 127 -7.732 16.693 4.418 987 2HB ASP 127 1HB ASP 127 -6.831 16.403 5.903 988 H GLU 128 H GLU 128 -8.686 14.219 7.722 989 HA GLU 128 HA GLU 128 -11.023 16.012 7.817 990 1HB GLU 128 2HB GLU 128 -11.180 13.290 7.910 991 2HB GLU 128 1HB GLU 128 -11.062 13.680 9.620 992 1HG GLU 128 2HG GLU 128 -13.004 15.071 9.502 993 2HG GLU 128 1HG GLU 128 -13.071 14.906 7.748 994 H ASP 129 H ASP 129 -10.910 17.527 9.367 995 HA ASP 129 HA ASP 129 -10.210 18.699 11.204 996 1HB ASP 129 2HB ASP 129 -9.809 15.894 12.240 997 2HB ASP 129 1HB ASP 129 -9.672 17.336 13.239 998 H GLY 130 H GLY 130 -8.259 17.665 9.118 999 1HA GLY 130 2HA GLY 130 -6.034 18.366 8.795 1000 2HA GLY 130 1HA GLY 130 -5.851 18.502 10.540 1001 H LEU 131 H LEU 131 -7.361 15.637 10.011 1002 HA LEU 131 HA LEU 131 -4.839 14.159 10.192 1003 1HB LEU 131 2HB LEU 131 -7.608 13.716 11.181 1004 2HB LEU 131 1HB LEU 131 -6.667 12.296 10.769 1005 HG LEU 131 HG LEU 131 -5.902 14.402 12.793 1006 1HD1 LEU 131 1HD1 LEU 131 -7.683 12.313 13.054 1007 2HD1 LEU 131 2HD1 LEU 131 -6.843 13.139 14.368 1008 3HD1 LEU 131 3HD1 LEU 131 -6.176 11.652 13.691 1009 1HD2 LEU 131 1HD2 LEU 131 -3.821 13.641 12.715 1010 2HD2 LEU 131 2HD2 LEU 131 -4.256 12.652 11.321 1011 3HD2 LEU 131 3HD2 LEU 131 -4.380 11.986 12.949 1012 H ILE 132 H ILE 132 -4.402 12.418 8.850 1013 HA ILE 132 HA ILE 132 -5.969 12.380 6.365 1014 HB ILE 132 HB ILE 132 -3.761 10.798 5.884 1015 1HG1 ILE 132 2HG1 ILE 132 -2.940 11.907 8.144 1016 2HG1 ILE 132 1HG1 ILE 132 -1.841 11.680 6.795 1017 1HG2 ILE 132 1HG2 ILE 132 -4.778 12.429 4.373 1018 2HG2 ILE 132 2HG2 ILE 132 -3.024 12.598 4.444 1019 3HG2 ILE 132 3HG2 ILE 132 -4.056 13.740 5.305 1020 1HD1 ILE 132 1HD1 ILE 132 -3.304 14.250 6.946 1021 2HD1 ILE 132 2HD1 ILE 132 -1.668 13.904 6.383 1022 3HD1 ILE 132 3HD1 ILE 132 -2.012 13.962 8.113 1023 H LYS 133 H LYS 133 -6.947 10.596 5.615 1024 HA LYS 133 HA LYS 133 -6.412 8.047 6.963 1025 1HB LYS 133 2HB LYS 133 -9.030 9.471 6.726 1026 2HB LYS 133 1HB LYS 133 -9.027 7.720 6.578 1027 1HG LYS 133 2HG LYS 133 -8.256 7.418 8.761 1028 2HG LYS 133 1HG LYS 133 -7.713 9.092 8.896 1029 1HD LYS 133 2HD LYS 133 -10.588 8.716 8.354 1030 2HD LYS 133 1HD LYS 133 -10.029 8.165 9.934 1031 1HE LYS 133 2HE LYS 133 -8.798 10.549 9.821 1032 2HE LYS 133 1HE LYS 133 -10.210 10.898 8.825 1033 1HZ LYS 133 1HZ LYS 133 -10.264 11.202 11.412 1034 2HZ LYS 133 2HZ LYS 133 -10.628 9.550 11.391 1035 3HZ LYS 133 3HZ LYS 133 -11.625 10.645 10.573 1036 H ALA 134 H ALA 134 -6.372 6.318 5.586 1037 HA ALA 134 HA ALA 134 -6.902 6.870 2.738 1038 1HB ALA 134 1HB ALA 134 -4.619 5.897 3.967 1039 2HB ALA 134 2HB ALA 134 -4.975 5.877 2.240 1040 3HB ALA 134 3HB ALA 134 -5.357 4.472 3.235 1041 H ARG 135 H ARG 135 -8.021 5.345 1.445 1042 HA ARG 135 HA ARG 135 -9.308 3.125 2.872 1043 1HB ARG 135 2HB ARG 135 -11.394 3.857 1.398 1044 2HB ARG 135 1HB ARG 135 -11.127 4.466 3.030 1045 1HG ARG 135 2HG ARG 135 -10.860 6.548 2.317 1046 2HG ARG 135 1HG ARG 135 -9.771 6.064 1.003 1047 1HD ARG 135 2HD ARG 135 -11.408 6.333 -0.476 1048 2HD ARG 135 1HD ARG 135 -12.432 5.197 0.401 1049 HE ARG 135 HE ARG 135 -12.765 7.420 1.837 1050 1HH1 ARG 135 1HH1 ARG 135 -12.866 6.894 -1.616 1051 2HH1 ARG 135 2HH1 ARG 135 -13.988 8.180 -1.903 1052 1HH2 ARG 135 1HH2 ARG 135 -14.243 9.109 1.457 1053 2HH2 ARG 135 2HH2 ARG 135 -14.770 9.436 -0.160 1054 H VAL 136 H VAL 136 -9.237 1.255 1.810 1055 HA VAL 136 HA VAL 136 -9.310 1.347 -1.134 1056 HB VAL 136 HB VAL 136 -7.662 -0.655 0.400 1057 1HG1 VAL 136 1HG1 VAL 136 -7.064 -0.037 -2.406 1058 2HG1 VAL 136 2HG1 VAL 136 -8.634 -0.789 -2.133 1059 3HG1 VAL 136 3HG1 VAL 136 -7.164 -1.593 -1.583 1060 1HG2 VAL 136 1HG2 VAL 136 -6.282 1.072 0.799 1061 2HG2 VAL 136 2HG2 VAL 136 -7.035 2.086 -0.433 1062 3HG2 VAL 136 3HG2 VAL 136 -5.842 0.871 -0.897 1063 H ILE 137 H ILE 137 -11.162 0.408 -1.706 1064 HA ILE 137 HA ILE 137 -12.301 -1.780 -0.182 1065 HB ILE 137 HB ILE 137 -13.412 0.242 -2.036 1066 1HG1 ILE 137 2HG1 ILE 137 -14.243 -1.134 0.506 1067 2HG1 ILE 137 1HG1 ILE 137 -13.855 0.564 0.264 1068 1HG2 ILE 137 1HG2 ILE 137 -14.591 -2.521 -1.799 1069 2HG2 ILE 137 2HG2 ILE 137 -13.953 -1.785 -3.267 1070 3HG2 ILE 137 3HG2 ILE 137 -15.407 -1.133 -2.513 1071 1HD1 ILE 137 1HD1 ILE 137 -16.014 0.120 -1.406 1072 2HD1 ILE 137 2HD1 ILE 137 -16.043 0.907 0.172 1073 3HD1 ILE 137 3HD1 ILE 137 -16.380 -0.820 0.042 1074 H LEU 138 H LEU 138 -11.704 -3.704 -0.697 1075 HA LEU 138 HA LEU 138 -11.063 -4.344 -3.485 1076 1HB LEU 138 2HB LEU 138 -10.200 -5.807 -0.996 1077 2HB LEU 138 1HB LEU 138 -9.665 -6.121 -2.638 1078 HG LEU 138 HG LEU 138 -8.898 -3.918 -0.790 1079 1HD1 LEU 138 1HD1 LEU 138 -7.564 -5.917 -2.544 1080 2HD1 LEU 138 2HD1 LEU 138 -7.253 -5.507 -0.857 1081 3HD1 LEU 138 3HD1 LEU 138 -6.716 -4.424 -2.141 1082 1HD2 LEU 138 1HD2 LEU 138 -9.536 -2.476 -2.470 1083 2HD2 LEU 138 2HD2 LEU 138 -9.262 -3.662 -3.741 1084 3HD2 LEU 138 3HD2 LEU 138 -7.891 -2.861 -2.976 1085 H ASP 139 H ASP 139 -11.732 -6.358 -4.333 1086 HA ASP 139 HA ASP 139 -14.400 -7.028 -3.477 1087 1HB ASP 139 2HB ASP 139 -12.868 -7.247 -5.888 1088 2HB ASP 139 1HB ASP 139 -13.545 -8.824 -5.497 1089 H LEU 140 H LEU 140 -15.154 -8.879 -2.669 1090 HA LEU 140 HA LEU 140 -14.150 -10.256 -0.707 1091 1HB LEU 140 2HB LEU 140 -16.318 -10.635 -2.245 1092 2HB LEU 140 1HB LEU 140 -15.408 -12.069 -2.681 1093 HG LEU 140 HG LEU 140 -15.339 -12.782 -0.360 1094 1HD1 LEU 140 1HD1 LEU 140 -17.016 -11.328 1.126 1095 2HD1 LEU 140 2HD1 LEU 140 -16.366 -10.050 0.099 1096 3HD1 LEU 140 3HD1 LEU 140 -15.277 -11.035 1.075 1097 1HD2 LEU 140 1HD2 LEU 140 -17.417 -13.655 -0.385 1098 2HD2 LEU 140 2HD2 LEU 140 -17.485 -12.904 -1.979 1099 3HD2 LEU 140 3HD2 LEU 140 -18.192 -12.084 -0.586 Start of MODEL 3 1 1H MET 1 1HT MET 1 -3.114 -1.026 17.609 2 2H MET 1 2HT MET 1 -2.581 -0.259 19.050 3 3H MET 1 3HT MET 1 -1.526 -1.304 18.189 4 HA MET 1 HA MET 1 -2.567 1.306 17.322 5 1HB MET 1 2HB MET 1 -0.770 1.374 18.987 6 2HB MET 1 1HB MET 1 0.201 0.290 18.001 7 1HG MET 1 2HG MET 1 0.314 1.977 16.247 8 2HG MET 1 1HG MET 1 -0.675 3.062 17.223 9 1HE MET 1 1HE MET 1 1.760 5.262 17.900 10 2HE MET 1 2HE MET 1 0.985 4.577 16.472 11 3HE MET 1 3HE MET 1 2.730 4.434 16.683 12 H LYS 2 H LYS 2 -3.100 1.178 15.233 13 HA LYS 2 HA LYS 2 -1.146 0.094 13.365 14 1HB LYS 2 2HB LYS 2 -3.884 -0.994 13.793 15 2HB LYS 2 1HB LYS 2 -3.296 -0.890 12.139 16 1HG LYS 2 2HG LYS 2 -1.805 -2.553 12.420 17 2HG LYS 2 1HG LYS 2 -1.442 -2.093 14.084 18 1HD LYS 2 2HD LYS 2 -2.538 -4.247 14.062 19 2HD LYS 2 1HD LYS 2 -3.611 -3.046 14.785 20 1HE LYS 2 2HE LYS 2 -4.303 -2.902 12.151 21 2HE LYS 2 1HE LYS 2 -3.913 -4.612 12.326 22 1HZ LYS 2 1HZ LYS 2 -5.574 -4.916 13.888 23 2HZ LYS 2 2HZ LYS 2 -6.296 -3.839 12.802 24 3HZ LYS 2 3HZ LYS 2 -5.680 -3.270 14.270 25 H GLY 3 H GLY 3 -4.310 1.656 13.717 26 1HA GLY 3 2HA GLY 3 -4.856 3.786 12.871 27 2HA GLY 3 1HA GLY 3 -3.464 3.695 11.804 28 H PHE 4 H PHE 4 -4.687 0.800 11.287 29 HA PHE 4 HA PHE 4 -6.306 1.739 9.038 30 1HB PHE 4 2HB PHE 4 -5.248 0.188 7.837 31 2HB PHE 4 1HB PHE 4 -4.268 -0.174 9.249 32 HD1 PHE 4 1HD PHE 4 -4.381 -2.278 10.250 33 HD2 PHE 4 2HD PHE 4 -7.446 -1.070 7.557 34 HE1 PHE 4 1HE PHE 4 -5.314 -4.554 10.296 35 HE2 PHE 4 2HE PHE 4 -8.386 -3.343 7.599 36 HZ PHE 4 HZ PHE 4 -7.320 -5.088 8.970 37 H GLU 5 H GLU 5 -8.390 1.104 8.694 38 HA GLU 5 HA GLU 5 -9.622 -0.817 10.515 39 1HB GLU 5 2HB GLU 5 -11.505 0.749 10.972 40 2HB GLU 5 1HB GLU 5 -9.978 1.260 11.677 41 1HG GLU 5 2HG GLU 5 -9.715 3.002 10.171 42 2HG GLU 5 1HG GLU 5 -10.840 2.296 9.010 43 H PHE 6 H PHE 6 -11.206 -1.997 9.578 44 HA PHE 6 HA PHE 6 -11.983 -1.247 6.836 45 1HB PHE 6 2HB PHE 6 -12.308 -3.689 6.458 46 2HB PHE 6 1HB PHE 6 -10.644 -3.256 6.838 47 HD1 PHE 6 1HD PHE 6 -13.542 -5.156 7.838 48 HD2 PHE 6 2HD PHE 6 -9.741 -3.720 9.104 49 HE1 PHE 6 1HE PHE 6 -13.536 -6.799 9.669 50 HE2 PHE 6 2HE PHE 6 -9.727 -5.362 10.935 51 HZ PHE 6 HZ PHE 6 -11.625 -6.905 11.220 52 H PHE 7 H PHE 7 -14.129 -1.531 6.173 53 HA PHE 7 HA PHE 7 -16.039 -1.823 8.397 54 1HB PHE 7 2HB PHE 7 -17.578 -0.701 6.504 55 2HB PHE 7 1HB PHE 7 -16.639 0.237 7.654 56 HD1 PHE 7 1HD PHE 7 -16.447 -1.224 4.233 57 HD2 PHE 7 2HD PHE 7 -15.160 1.843 6.891 58 HE1 PHE 7 1HE PHE 7 -15.335 -0.070 2.363 59 HE2 PHE 7 2HE PHE 7 -14.045 3.000 5.021 60 HZ PHE 7 HZ PHE 7 -14.134 2.045 2.758 61 H ASP 8 H ASP 8 -17.731 -3.227 8.266 62 HA ASP 8 HA ASP 8 -17.446 -5.547 6.752 63 1HB ASP 8 2HB ASP 8 -19.826 -6.022 7.476 64 2HB ASP 8 1HB ASP 8 -18.679 -5.683 8.769 65 H VAL 9 H VAL 9 -17.435 -5.512 4.613 66 HA VAL 9 HA VAL 9 -19.612 -4.143 3.197 67 HB VAL 9 HB VAL 9 -17.125 -3.659 2.635 68 1HG1 VAL 9 1HG1 VAL 9 -17.092 -6.391 2.232 69 2HG1 VAL 9 2HG1 VAL 9 -15.897 -5.248 1.654 70 3HG1 VAL 9 3HG1 VAL 9 -17.216 -5.739 0.600 71 1HG2 VAL 9 1HG2 VAL 9 -18.390 -4.192 0.094 72 2HG2 VAL 9 2HG2 VAL 9 -18.063 -2.649 0.884 73 3HG2 VAL 9 3HG2 VAL 9 -19.543 -3.531 1.251 74 H THR 10 H THR 10 -20.629 -5.128 1.426 75 HA THR 10 HA THR 10 -20.720 -8.063 1.592 76 HB THR 10 HB THR 10 -22.730 -6.151 0.422 77 HG1 THR 10 1HG THR 10 -22.418 -6.016 2.754 78 1HG2 THR 10 1HG2 THR 10 -22.612 -8.736 -0.155 79 2HG2 THR 10 2HG2 THR 10 -24.139 -7.872 0.038 80 3HG2 THR 10 3HG2 THR 10 -23.499 -8.842 1.365 81 H ALA 11 H ALA 11 -18.584 -7.469 0.129 82 HA ALA 11 HA ALA 11 -18.580 -8.654 -2.198 83 1HB ALA 11 1HB ALA 11 -20.356 -7.674 -3.296 84 2HB ALA 11 2HB ALA 11 -18.999 -6.734 -3.917 85 3HB ALA 11 3HB ALA 11 -20.016 -6.074 -2.637 86 H ASP 12 H ASP 12 -18.013 -5.199 -1.536 87 HA ASP 12 HA ASP 12 -15.148 -5.736 -2.059 88 1HB ASP 12 2HB ASP 12 -15.718 -2.975 -2.495 89 2HB ASP 12 1HB ASP 12 -14.989 -4.150 -3.577 90 H ALA 13 H ALA 13 -13.835 -5.284 -0.463 91 HA ALA 13 HA ALA 13 -14.862 -3.617 1.723 92 1HB ALA 13 1HB ALA 13 -12.437 -5.199 2.168 93 2HB ALA 13 2HB ALA 13 -13.887 -6.126 1.782 94 3HB ALA 13 3HB ALA 13 -13.886 -5.026 3.162 95 H GLY 14 H GLY 14 -14.082 -1.661 1.991 96 1HA GLY 14 2HA GLY 14 -11.358 -1.076 1.005 97 2HA GLY 14 1HA GLY 14 -12.638 0.128 1.071 98 H PHE 15 H PHE 15 -9.883 -0.541 2.497 99 HA PHE 15 HA PHE 15 -10.870 -0.191 5.237 100 1HB PHE 15 2HB PHE 15 -7.996 -0.730 4.629 101 2HB PHE 15 1HB PHE 15 -8.956 -1.218 6.021 102 HD1 PHE 15 1HD PHE 15 -7.149 -2.622 3.634 103 HD2 PHE 15 2HD PHE 15 -11.210 -2.597 4.895 104 HE1 PHE 15 1HE PHE 15 -7.469 -4.842 2.624 105 HE2 PHE 15 2HE PHE 15 -11.539 -4.819 3.891 106 HZ PHE 15 HZ PHE 15 -9.667 -5.944 2.753 107 H TRP 16 H TRP 16 -10.012 1.378 6.593 108 HA TRP 16 HA TRP 16 -8.853 3.674 5.161 109 1HB TRP 16 2HB TRP 16 -11.009 3.410 7.106 110 2HB TRP 16 1HB TRP 16 -9.814 4.601 7.606 111 HD1 TRP 16 HD TRP 16 -9.146 5.863 4.766 112 HE1 TRP 16 1HE TRP 16 -10.905 7.319 3.583 113 HE3 TRP 16 3HE TRP 16 -13.333 4.186 7.169 114 HZ2 TRP 16 2HZ TRP 16 -13.701 7.708 3.659 115 HZ3 TRP 16 3HZ TRP 16 -15.511 5.155 6.559 116 HH2 TRP 16 HH TRP 16 -15.690 6.880 4.840 117 H ALA 17 H ALA 17 -6.862 4.243 5.665 118 HA ALA 17 HA ALA 17 -5.758 3.443 8.278 119 1HB ALA 17 1HB ALA 17 -3.660 2.959 7.308 120 2HB ALA 17 2HB ALA 17 -4.105 3.714 5.778 121 3HB ALA 17 3HB ALA 17 -4.841 2.183 6.253 122 H TYR 18 H TYR 18 -4.488 4.869 9.330 123 HA TYR 18 HA TYR 18 -4.687 7.579 8.249 124 1HB TYR 18 2HB TYR 18 -4.222 7.399 11.114 125 2HB TYR 18 1HB TYR 18 -5.424 8.303 10.215 126 HD1 TYR 18 1HD TYR 18 -7.126 6.408 8.980 127 HD2 TYR 18 2HD TYR 18 -5.210 6.158 12.769 128 HE1 TYR 18 1HE TYR 18 -8.885 4.879 9.762 129 HE2 TYR 18 2HE TYR 18 -6.959 4.628 13.560 130 HH TYR 18 HH TYR 18 -9.435 4.173 12.927 131 H GLY 19 H GLY 19 -3.035 9.006 8.364 132 1HA GLY 19 2HA GLY 19 -0.363 7.855 8.608 133 2HA GLY 19 1HA GLY 19 -0.751 9.397 7.940 134 H HIS 20 H HIS 20 1.072 9.836 9.046 135 HA HIS 20 HA HIS 20 0.456 10.967 11.623 136 1HB HIS 20 2HB HIS 20 3.140 9.892 11.447 137 2HB HIS 20 1HB HIS 20 1.934 9.744 12.689 138 HD1 HIS 20 1HD HIS 20 3.842 7.689 10.596 139 HD2 HIS 20 2HD HIS 20 -0.128 7.672 11.817 140 HE1 HIS 20 1HE HIS 20 3.035 5.338 10.225 141 HE2 HIS 20 2HE HIS 20 0.609 5.370 10.898 142 H ASP 21 H ASP 21 1.326 11.401 8.547 143 HA ASP 21 HA ASP 21 2.275 14.022 8.866 144 1HB ASP 21 2HB ASP 21 4.298 12.515 9.610 145 2HB ASP 21 1HB ASP 21 4.532 12.326 7.875 146 H LEU 22 H LEU 22 0.507 12.354 7.235 147 HA LEU 22 HA LEU 22 -0.351 12.432 5.133 148 1HB LEU 22 2HB LEU 22 1.472 14.645 5.176 149 2HB LEU 22 1HB LEU 22 1.601 13.843 3.624 150 HG LEU 22 HG LEU 22 0.008 15.568 3.359 151 1HD1 LEU 22 1HD1 LEU 22 -0.831 12.808 3.244 152 2HD1 LEU 22 2HD1 LEU 22 -1.140 14.131 2.121 153 3HD1 LEU 22 3HD1 LEU 22 -2.199 13.888 3.509 154 1HD2 LEU 22 1HD2 LEU 22 -2.108 15.034 5.093 155 2HD2 LEU 22 2HD2 LEU 22 -0.991 16.397 5.159 156 3HD2 LEU 22 3HD2 LEU 22 -0.657 14.938 6.091 157 H GLU 23 H GLU 23 3.195 12.318 4.924 158 HA GLU 23 HA GLU 23 3.313 10.562 2.746 159 1HB GLU 23 2HB GLU 23 5.582 9.903 4.046 160 2HB GLU 23 1HB GLU 23 5.422 11.371 3.100 161 1HG GLU 23 2HG GLU 23 5.083 12.683 5.051 162 2HG GLU 23 1HG GLU 23 4.925 11.246 6.058 163 H GLU 24 H GLU 24 3.538 9.922 6.209 164 HA GLU 24 HA GLU 24 3.780 7.180 6.179 165 1HB GLU 24 2HB GLU 24 2.223 8.742 8.229 166 2HB GLU 24 1HB GLU 24 3.062 7.219 8.467 167 1HG GLU 24 2HG GLU 24 4.352 9.871 7.862 168 2HG GLU 24 1HG GLU 24 4.296 9.078 9.432 169 H VAL 25 H VAL 25 0.921 9.056 5.479 170 HA VAL 25 HA VAL 25 -0.913 6.953 6.088 171 HB VAL 25 HB VAL 25 -1.417 9.470 5.924 172 1HG1 VAL 25 1HG1 VAL 25 -0.683 9.153 3.306 173 2HG1 VAL 25 2HG1 VAL 25 -1.638 10.490 3.947 174 3HG1 VAL 25 3HG1 VAL 25 -2.442 9.101 3.215 175 1HG2 VAL 25 1HG2 VAL 25 -3.064 7.131 5.289 176 2HG2 VAL 25 2HG2 VAL 25 -3.755 8.674 4.788 177 3HG2 VAL 25 3HG2 VAL 25 -3.314 8.411 6.475 178 H PHE 26 H PHE 26 0.852 7.837 3.162 179 HA PHE 26 HA PHE 26 -0.752 6.247 1.450 180 1HB PHE 26 2HB PHE 26 0.321 7.572 0.007 181 2HB PHE 26 1HB PHE 26 1.474 8.055 1.241 182 HD1 PHE 26 1HD PHE 26 1.069 6.443 -1.833 183 HD2 PHE 26 2HD PHE 26 3.334 6.360 1.745 184 HE1 PHE 26 1HE PHE 26 2.836 5.193 -2.995 185 HE2 PHE 26 2HE PHE 26 5.093 5.112 0.613 186 HZ PHE 26 HZ PHE 26 4.868 4.519 -1.772 187 H GLU 27 H GLU 27 2.264 5.717 3.213 188 HA GLU 27 HA GLU 27 2.902 3.169 2.149 189 1HB GLU 27 2HB GLU 27 4.362 2.947 4.095 190 2HB GLU 27 1HB GLU 27 4.539 4.506 3.341 191 1HG GLU 27 2HG GLU 27 4.585 4.897 5.641 192 2HG GLU 27 1HG GLU 27 2.986 5.395 5.108 193 H ASN 28 H ASN 28 0.740 4.240 4.668 194 HA ASN 28 HA ASN 28 0.272 1.788 5.946 195 1HB ASN 28 2HB ASN 28 -0.669 4.400 6.190 196 2HB ASN 28 1HB ASN 28 -2.105 3.459 5.796 197 1HD2 ASN 28 1HD2 ASN 28 -2.028 1.231 7.039 198 2HD2 ASN 28 2HD2 ASN 28 -1.777 1.393 8.741 199 H ALA 29 H ALA 29 -0.856 3.057 2.900 200 HA ALA 29 HA ALA 29 -3.177 1.611 2.469 201 1HB ALA 29 1HB ALA 29 -1.472 1.703 0.107 202 2HB ALA 29 2HB ALA 29 -1.604 3.252 0.940 203 3HB ALA 29 3HB ALA 29 -3.057 2.419 0.392 204 H ALA 30 H ALA 30 0.179 0.572 1.984 205 HA ALA 30 HA ALA 30 -0.543 -2.023 1.011 206 1HB ALA 30 1HB ALA 30 1.807 -2.542 1.163 207 2HB ALA 30 2HB ALA 30 2.093 -1.130 2.183 208 3HB ALA 30 3HB ALA 30 1.624 -0.921 0.496 209 H LEU 31 H LEU 31 0.134 -0.598 4.128 210 HA LEU 31 HA LEU 31 0.500 -2.930 5.637 211 1HB LEU 31 2HB LEU 31 0.836 -0.514 6.353 212 2HB LEU 31 1HB LEU 31 -0.896 -0.447 6.616 213 HG LEU 31 HG LEU 31 0.513 -2.673 7.954 214 1HD1 LEU 31 1HD1 LEU 31 1.192 0.172 8.416 215 2HD1 LEU 31 2HD1 LEU 31 2.167 -1.281 8.641 216 3HD1 LEU 31 3HD1 LEU 31 0.945 -0.845 9.836 217 1HD2 LEU 31 1HD2 LEU 31 -1.004 -1.978 9.791 218 2HD2 LEU 31 2HD2 LEU 31 -1.846 -2.365 8.291 219 3HD2 LEU 31 3HD2 LEU 31 -1.602 -0.681 8.756 220 H ALA 32 H ALA 32 -2.343 -1.569 4.217 221 HA ALA 32 HA ALA 32 -4.279 -2.787 5.894 222 1HB ALA 32 1HB ALA 32 -5.674 -1.545 4.695 223 2HB ALA 32 2HB ALA 32 -5.252 -2.410 3.213 224 3HB ALA 32 3HB ALA 32 -4.298 -1.017 3.727 225 H MET 33 H MET 33 -2.955 -3.704 2.718 226 HA MET 33 HA MET 33 -4.429 -5.985 2.239 227 1HB MET 33 2HB MET 33 -2.128 -4.765 1.156 228 2HB MET 33 1HB MET 33 -1.695 -6.441 1.460 229 1HG MET 33 2HG MET 33 -2.526 -6.635 -0.641 230 2HG MET 33 1HG MET 33 -4.004 -6.897 0.283 231 1HE MET 33 1HE MET 33 -4.992 -6.623 -1.971 232 2HE MET 33 2HE MET 33 -4.014 -5.621 -3.044 233 3HE MET 33 3HE MET 33 -5.618 -5.078 -2.550 234 H PHE 34 H PHE 34 -1.831 -5.502 4.491 235 HA PHE 34 HA PHE 34 -0.929 -8.069 4.962 236 1HB PHE 34 2HB PHE 34 0.131 -6.223 6.045 237 2HB PHE 34 1HB PHE 34 -1.354 -5.757 6.856 238 HD1 PHE 34 1HD PHE 34 -0.277 -9.259 6.663 239 HD2 PHE 34 2HD PHE 34 -0.362 -5.727 9.034 240 HE1 PHE 34 1HE PHE 34 0.375 -10.572 8.639 241 HE2 PHE 34 2HE PHE 34 0.291 -7.033 11.013 242 HZ PHE 34 HZ PHE 34 0.661 -9.460 10.817 243 H GLU 35 H GLU 35 -3.877 -6.536 6.166 244 HA GLU 35 HA GLU 35 -4.650 -8.383 8.078 245 1HB GLU 35 2HB GLU 35 -5.777 -6.181 7.434 246 2HB GLU 35 1HB GLU 35 -6.590 -7.089 6.168 247 1HG GLU 35 2HG GLU 35 -7.990 -6.839 8.146 248 2HG GLU 35 1HG GLU 35 -7.617 -8.532 7.819 249 H VAL 36 H VAL 36 -4.737 -8.606 4.606 250 HA VAL 36 HA VAL 36 -6.279 -11.084 4.666 251 HB VAL 36 HB VAL 36 -5.095 -9.670 2.280 252 1HG1 VAL 36 1HG1 VAL 36 -7.539 -11.223 1.931 253 2HG1 VAL 36 2HG1 VAL 36 -6.167 -12.192 2.467 254 3HG1 VAL 36 3HG1 VAL 36 -6.045 -11.231 0.993 255 1HG2 VAL 36 1HG2 VAL 36 -7.827 -9.373 3.524 256 2HG2 VAL 36 2HG2 VAL 36 -7.374 -8.748 1.938 257 3HG2 VAL 36 3HG2 VAL 36 -6.580 -8.133 3.387 258 H MET 37 H MET 37 -3.169 -9.946 3.367 259 HA MET 37 HA MET 37 -2.124 -12.317 2.481 260 1HB MET 37 2HB MET 37 -0.584 -10.103 3.836 261 2HB MET 37 1HB MET 37 0.082 -11.318 2.753 262 1HG MET 37 2HG MET 37 -2.072 -9.423 1.888 263 2HG MET 37 1HG MET 37 -0.360 -9.018 1.787 264 1HE MET 37 1HE MET 37 -3.050 -11.065 -0.873 265 2HE MET 37 2HE MET 37 -3.234 -10.973 0.879 266 3HE MET 37 3HE MET 37 -2.590 -12.437 0.136 267 H THR 38 H THR 38 -1.567 -10.925 5.708 268 HA THR 38 HA THR 38 -0.820 -11.838 7.655 269 HB THR 38 HB THR 38 -3.186 -12.889 7.151 270 HG1 THR 38 1HG THR 38 -2.155 -12.553 9.220 271 1HG2 THR 38 1HG2 THR 38 -1.409 -15.317 7.127 272 2HG2 THR 38 2HG2 THR 38 -2.570 -14.822 5.896 273 3HG2 THR 38 3HG2 THR 38 -3.136 -15.346 7.480 274 H ASP 39 H ASP 39 0.103 -13.990 8.683 275 HA ASP 39 HA ASP 39 1.824 -15.474 8.797 276 1HB ASP 39 2HB ASP 39 0.472 -16.516 6.888 277 2HB ASP 39 1HB ASP 39 1.658 -15.791 5.805 278 H THR 40 H THR 40 2.088 -12.545 7.622 279 HA THR 40 HA THR 40 4.586 -12.564 6.252 280 HB THR 40 HB THR 40 4.328 -10.283 6.065 281 HG1 THR 40 1HG THR 40 4.424 -9.461 8.035 282 1HG2 THR 40 1HG2 THR 40 2.022 -11.687 5.742 283 2HG2 THR 40 2HG2 THR 40 2.225 -9.988 5.334 284 3HG2 THR 40 3HG2 THR 40 1.517 -10.440 6.877 285 H SER 41 H SER 41 3.672 -12.646 9.565 286 HA SER 41 HA SER 41 5.684 -11.380 10.909 287 1HB SER 41 2HB SER 41 3.680 -12.814 11.774 288 2HB SER 41 1HB SER 41 4.859 -14.126 11.791 289 HG SER 41 HG SER 41 5.001 -11.659 13.184 290 H LEU 42 H LEU 42 5.994 -14.166 8.889 291 HA LEU 42 HA LEU 42 8.476 -15.075 10.020 292 1HB LEU 42 2HB LEU 42 6.809 -15.796 7.658 293 2HB LEU 42 1HB LEU 42 8.495 -16.279 7.659 294 HG LEU 42 HG LEU 42 7.660 -17.106 10.142 295 1HD1 LEU 42 1HD1 LEU 42 5.371 -16.755 9.895 296 2HD1 LEU 42 2HD1 LEU 42 5.579 -18.463 9.511 297 3HD1 LEU 42 3HD1 LEU 42 5.374 -17.287 8.214 298 1HD2 LEU 42 1HD2 LEU 42 7.346 -19.359 8.728 299 2HD2 LEU 42 2HD2 LEU 42 8.924 -18.656 9.085 300 3HD2 LEU 42 3HD2 LEU 42 8.164 -18.369 7.519 301 H VAL 43 H VAL 43 7.491 -12.867 7.514 302 HA VAL 43 HA VAL 43 10.248 -12.558 6.581 303 HB VAL 43 HB VAL 43 9.154 -10.946 4.924 304 1HG1 VAL 43 1HG1 VAL 43 8.137 -13.756 4.669 305 2HG1 VAL 43 2HG1 VAL 43 9.857 -13.380 4.558 306 3HG1 VAL 43 3HG1 VAL 43 8.724 -12.671 3.408 307 1HG2 VAL 43 1HG2 VAL 43 6.638 -12.362 5.781 308 2HG2 VAL 43 2HG2 VAL 43 6.802 -11.097 4.563 309 3HG2 VAL 43 3HG2 VAL 43 7.052 -10.718 6.268 310 H GLU 44 H GLU 44 11.503 -11.001 7.357 311 HA GLU 44 HA GLU 44 10.227 -8.708 8.693 312 1HB GLU 44 2HB GLU 44 12.010 -10.505 9.757 313 2HB GLU 44 1HB GLU 44 13.060 -9.177 9.284 314 1HG GLU 44 2HG GLU 44 12.498 -8.103 11.126 315 2HG GLU 44 1HG GLU 44 10.832 -8.026 10.556 316 H ALA 45 H ALA 45 13.487 -9.301 7.418 317 HA ALA 45 HA ALA 45 13.159 -7.128 5.502 318 1HB ALA 45 1HB ALA 45 14.026 -5.741 7.095 319 2HB ALA 45 2HB ALA 45 15.523 -6.337 6.380 320 3HB ALA 45 3HB ALA 45 14.929 -7.032 7.888 321 H ALA 46 H ALA 46 13.325 -8.827 3.973 322 HA ALA 46 HA ALA 46 15.888 -10.215 3.817 323 1HB ALA 46 1HB ALA 46 14.872 -11.769 2.390 324 2HB ALA 46 2HB ALA 46 13.555 -10.666 1.985 325 3HB ALA 46 3HB ALA 46 13.631 -11.400 3.587 326 H GLU 47 H GLU 47 13.833 -8.004 2.026 327 HA GLU 47 HA GLU 47 16.141 -7.274 0.365 328 1HB GLU 47 2HB GLU 47 13.348 -7.524 -0.737 329 2HB GLU 47 1HB GLU 47 14.835 -7.252 -1.630 330 1HG GLU 47 2HG GLU 47 14.549 -9.740 -0.024 331 2HG GLU 47 1HG GLU 47 13.702 -9.606 -1.558 332 H GLU 48 H GLU 48 15.648 -5.183 -0.859 333 HA GLU 48 HA GLU 48 13.774 -3.457 0.557 334 1HB GLU 48 2HB GLU 48 16.190 -3.356 1.534 335 2HB GLU 48 1HB GLU 48 16.557 -2.440 0.079 336 1HG GLU 48 2HG GLU 48 15.079 -0.707 0.671 337 2HG GLU 48 1HG GLU 48 14.310 -1.684 1.920 338 H ARG 49 H ARG 49 12.656 -2.257 -0.845 339 HA ARG 49 HA ARG 49 13.890 -1.650 -3.446 340 1HB ARG 49 2HB ARG 49 10.952 -2.225 -3.188 341 2HB ARG 49 1HB ARG 49 11.946 -2.217 -4.636 342 1HG ARG 49 2HG ARG 49 12.722 -4.203 -2.618 343 2HG ARG 49 1HG ARG 49 11.132 -4.446 -3.341 344 1HD ARG 49 2HD ARG 49 13.006 -5.604 -4.519 345 2HD ARG 49 1HD ARG 49 12.056 -4.523 -5.536 346 HE ARG 49 HE ARG 49 14.004 -2.892 -4.903 347 1HH1 ARG 49 1HH1 ARG 49 14.241 -6.282 -5.721 348 2HH1 ARG 49 2HH1 ARG 49 15.844 -6.138 -6.357 349 1HH2 ARG 49 1HH2 ARG 49 16.108 -2.711 -5.745 350 2HH2 ARG 49 2HH2 ARG 49 16.902 -4.117 -6.373 351 H ARG 50 H ARG 50 13.724 0.392 -4.123 352 HA ARG 50 HA ARG 50 12.183 2.249 -2.451 353 1HB ARG 50 2HB ARG 50 14.752 2.389 -3.857 354 2HB ARG 50 1HB ARG 50 13.744 3.807 -4.098 355 1HG ARG 50 2HG ARG 50 14.053 2.809 -1.327 356 2HG ARG 50 1HG ARG 50 15.442 3.597 -2.077 357 1HD ARG 50 2HD ARG 50 13.066 5.114 -2.602 358 2HD ARG 50 1HD ARG 50 13.202 4.804 -0.873 359 HE ARG 50 HE ARG 50 15.131 6.088 -0.801 360 1HH1 ARG 50 1HH1 ARG 50 14.027 5.736 -4.099 361 2HH1 ARG 50 2HH1 ARG 50 15.060 6.983 -4.706 362 1HH2 ARG 50 1HH2 ARG 50 16.487 7.728 -1.606 363 2HH2 ARG 50 2HH2 ARG 50 16.456 8.112 -3.295 364 H VAL 51 H VAL 51 10.713 3.677 -3.330 365 HA VAL 51 HA VAL 51 10.187 3.468 -6.211 366 HB VAL 51 HB VAL 51 7.993 3.408 -4.140 367 1HG1 VAL 51 1HG1 VAL 51 6.895 2.456 -6.395 368 2HG1 VAL 51 2HG1 VAL 51 8.102 3.537 -7.088 369 3HG1 VAL 51 3HG1 VAL 51 6.896 4.166 -5.966 370 1HG2 VAL 51 1HG2 VAL 51 7.832 0.998 -5.330 371 2HG2 VAL 51 2HG2 VAL 51 8.702 1.286 -3.823 372 3HG2 VAL 51 3HG2 VAL 51 9.579 1.236 -5.352 373 H GLU 52 H GLU 52 9.256 5.265 -7.170 374 HA GLU 52 HA GLU 52 8.986 7.662 -5.486 375 1HB GLU 52 2HB GLU 52 10.703 7.198 -7.838 376 2HB GLU 52 1HB GLU 52 9.739 8.665 -7.929 377 1HG GLU 52 2HG GLU 52 10.636 9.219 -5.622 378 2HG GLU 52 1HG GLU 52 11.792 7.913 -5.875 379 H ILE 53 H ILE 53 7.299 9.048 -6.060 380 HA ILE 53 HA ILE 53 5.666 8.200 -8.336 381 HB ILE 53 HB ILE 53 4.099 8.930 -5.956 382 1HG1 ILE 53 2HG1 ILE 53 5.756 6.409 -6.079 383 2HG1 ILE 53 1HG1 ILE 53 5.610 7.550 -4.749 384 1HG2 ILE 53 1HG2 ILE 53 3.149 8.305 -8.106 385 2HG2 ILE 53 2HG2 ILE 53 2.668 7.180 -6.833 386 3HG2 ILE 53 3HG2 ILE 53 3.928 6.724 -7.987 387 1HD1 ILE 53 1HD1 ILE 53 3.470 5.669 -5.716 388 2HD1 ILE 53 2HD1 ILE 53 3.301 6.825 -4.394 389 3HD1 ILE 53 3HD1 ILE 53 4.443 5.488 -4.257 390 H THR 54 H THR 54 4.242 9.726 -9.177 391 HA THR 54 HA THR 54 4.692 12.482 -8.243 392 HB THR 54 HB THR 54 5.853 12.302 -10.306 393 HG1 THR 54 1HG THR 54 4.577 13.638 -11.672 394 1HG2 THR 54 1HG2 THR 54 4.354 11.640 -12.376 395 2HG2 THR 54 2HG2 THR 54 3.555 10.644 -11.160 396 3HG2 THR 54 3HG2 THR 54 5.280 10.444 -11.469 397 H SER 55 H SER 55 2.919 13.254 -7.399 398 HA SER 55 HA SER 55 0.312 12.591 -8.598 399 1HB SER 55 2HB SER 55 0.560 13.422 -5.727 400 2HB SER 55 1HB SER 55 -0.679 12.431 -6.500 401 HG SER 55 HG SER 55 1.014 10.817 -6.753 402 H GLU 56 H GLU 56 -1.349 14.360 -8.207 403 HA GLU 56 HA GLU 56 -0.134 16.986 -7.844 404 1HB GLU 56 2HB GLU 56 -0.880 15.909 -10.405 405 2HB GLU 56 1HB GLU 56 -1.868 17.318 -10.039 406 1HG GLU 56 2HG GLU 56 -0.132 18.745 -10.180 407 2HG GLU 56 1HG GLU 56 1.017 17.590 -9.504 408 H ASP 57 H ASP 57 -1.996 15.407 -6.266 409 HA ASP 57 HA ASP 57 -3.815 17.438 -5.593 410 1HB ASP 57 2HB ASP 57 -4.818 16.581 -7.768 411 2HB ASP 57 1HB ASP 57 -5.195 15.098 -6.897 412 H ARG 58 H ARG 58 -2.020 15.128 -4.573 413 HA ARG 58 HA ARG 58 -1.883 13.896 -2.664 414 1HB ARG 58 2HB ARG 58 -4.537 15.169 -1.965 415 2HB ARG 58 1HB ARG 58 -3.470 14.325 -0.853 416 1HG ARG 58 2HG ARG 58 -1.821 16.021 -1.007 417 2HG ARG 58 1HG ARG 58 -2.643 16.785 -2.368 418 1HD ARG 58 2HD ARG 58 -4.288 17.695 -1.038 419 2HD ARG 58 1HD ARG 58 -4.095 16.472 0.217 420 HE ARG 58 HE ARG 58 -1.753 17.804 0.319 421 1HH1 ARG 58 1HH1 ARG 58 -5.078 18.865 0.359 422 2HH1 ARG 58 2HH1 ARG 58 -4.749 20.266 1.322 423 1HH2 ARG 58 1HH2 ARG 58 -1.320 19.646 1.585 424 2HH2 ARG 58 2HH2 ARG 58 -2.616 20.710 2.018 425 H VAL 59 H VAL 59 -5.349 13.910 -3.564 426 HA VAL 59 HA VAL 59 -5.961 11.327 -2.790 427 HB VAL 59 HB VAL 59 -7.698 12.884 -3.426 428 1HG1 VAL 59 1HG1 VAL 59 -6.186 13.778 -5.366 429 2HG1 VAL 59 2HG1 VAL 59 -7.943 13.878 -5.481 430 3HG1 VAL 59 3HG1 VAL 59 -7.076 12.597 -6.327 431 1HG2 VAL 59 1HG2 VAL 59 -7.706 10.229 -4.049 432 2HG2 VAL 59 2HG2 VAL 59 -8.162 10.958 -5.588 433 3HG2 VAL 59 3HG2 VAL 59 -9.111 11.291 -4.139 434 H SER 60 H SER 60 -4.740 12.477 -5.922 435 HA SER 60 HA SER 60 -4.805 9.995 -7.243 436 1HB SER 60 2HB SER 60 -3.086 12.448 -7.664 437 2HB SER 60 1HB SER 60 -3.042 11.048 -8.735 438 HG SER 60 HG SER 60 -4.491 12.563 -9.544 439 H LEU 61 H LEU 61 -2.518 11.418 -5.011 440 HA LEU 61 HA LEU 61 -0.272 9.863 -5.475 441 1HB LEU 61 2HB LEU 61 -0.869 11.780 -3.707 442 2HB LEU 61 1HB LEU 61 -1.035 10.392 -2.653 443 HG LEU 61 HG LEU 61 1.415 11.518 -3.927 444 1HD1 LEU 61 1HD1 LEU 61 2.260 11.496 -1.797 445 2HD1 LEU 61 2HD1 LEU 61 1.234 10.155 -1.287 446 3HD1 LEU 61 3HD1 LEU 61 0.544 11.767 -1.485 447 1HD2 LEU 61 1HD2 LEU 61 1.422 9.247 -4.770 448 2HD2 LEU 61 2HD2 LEU 61 1.081 8.619 -3.158 449 3HD2 LEU 61 3HD2 LEU 61 2.619 9.412 -3.488 450 H LEU 62 H LEU 62 -3.176 9.131 -3.608 451 HA LEU 62 HA LEU 62 -2.233 6.616 -2.642 452 1HB LEU 62 2HB LEU 62 -4.186 8.156 -1.795 453 2HB LEU 62 1HB LEU 62 -5.142 7.243 -2.945 454 HG LEU 62 HG LEU 62 -5.496 6.106 -0.943 455 1HD1 LEU 62 1HD1 LEU 62 -4.310 3.973 -1.133 456 2HD1 LEU 62 2HD1 LEU 62 -3.133 4.715 -2.220 457 3HD1 LEU 62 3HD1 LEU 62 -4.820 4.561 -2.716 458 1HD2 LEU 62 1HD2 LEU 62 -3.849 7.295 0.392 459 2HD2 LEU 62 2HD2 LEU 62 -2.543 6.391 -0.374 460 3HD2 LEU 62 3HD2 LEU 62 -3.711 5.556 0.651 461 H TYR 63 H TYR 63 -4.422 7.591 -5.260 462 HA TYR 63 HA TYR 63 -5.088 5.049 -6.188 463 1HB TYR 63 2HB TYR 63 -6.167 7.208 -6.873 464 2HB TYR 63 1HB TYR 63 -4.765 7.529 -7.886 465 HD1 TYR 63 1HD TYR 63 -5.147 7.161 -10.122 466 HD2 TYR 63 2HD TYR 63 -7.027 4.607 -7.291 467 HE1 TYR 63 1HE TYR 63 -6.184 5.898 -11.960 468 HE2 TYR 63 2HE TYR 63 -8.070 3.336 -9.118 469 HH TYR 63 HH TYR 63 -8.622 4.225 -11.895 470 H ASP 64 H ASP 64 -2.336 7.118 -6.946 471 HA ASP 64 HA ASP 64 -1.303 5.294 -8.927 472 1HB ASP 64 2HB ASP 64 -0.435 7.907 -7.770 473 2HB ASP 64 1HB ASP 64 0.766 6.907 -8.581 474 H TRP 65 H TRP 65 -1.157 5.539 -5.529 475 HA TRP 65 HA TRP 65 1.438 4.429 -5.144 476 1HB TRP 65 2HB TRP 65 0.615 5.619 -3.306 477 2HB TRP 65 1HB TRP 65 -0.954 4.829 -3.375 478 HD1 TRP 65 HD TRP 65 -1.011 3.832 -0.965 479 HE1 TRP 65 1HE TRP 65 0.382 2.058 0.276 480 HE3 TRP 65 3HE TRP 65 2.831 3.317 -4.305 481 HZ2 TRP 65 2HZ TRP 65 2.780 0.629 -0.107 482 HZ3 TRP 65 3HZ TRP 65 4.632 1.724 -3.791 483 HH2 TRP 65 HH TRP 65 4.607 0.409 -1.734 484 H LEU 66 H LEU 66 -1.834 3.053 -4.838 485 HA LEU 66 HA LEU 66 -0.842 0.415 -4.468 486 1HB LEU 66 2HB LEU 66 -3.380 1.743 -4.393 487 2HB LEU 66 1HB LEU 66 -3.525 0.309 -5.387 488 HG LEU 66 HG LEU 66 -2.783 0.492 -2.471 489 1HD1 LEU 66 1HD1 LEU 66 -5.167 0.001 -3.849 490 2HD1 LEU 66 2HD1 LEU 66 -4.855 -0.211 -2.127 491 3HD1 LEU 66 3HD1 LEU 66 -4.639 -1.565 -3.236 492 1HD2 LEU 66 1HD2 LEU 66 -2.603 -2.098 -2.781 493 2HD2 LEU 66 2HD2 LEU 66 -1.205 -1.067 -3.088 494 3HD2 LEU 66 3HD2 LEU 66 -2.168 -1.672 -4.437 495 H ASP 67 H ASP 67 -1.899 2.270 -7.257 496 HA ASP 67 HA ASP 67 -2.122 0.167 -9.101 497 1HB ASP 67 2HB ASP 67 -2.078 3.024 -9.195 498 2HB ASP 67 1HB ASP 67 -0.952 2.427 -10.408 499 H GLU 68 H GLU 68 0.611 1.883 -7.779 500 HA GLU 68 HA GLU 68 2.598 0.852 -9.531 501 1HB GLU 68 2HB GLU 68 2.490 2.731 -7.482 502 2HB GLU 68 1HB GLU 68 3.503 1.456 -6.820 503 1HG GLU 68 2HG GLU 68 5.133 2.619 -7.840 504 2HG GLU 68 1HG GLU 68 4.618 1.685 -9.243 505 H LEU 69 H LEU 69 1.600 0.039 -6.228 506 HA LEU 69 HA LEU 69 3.255 -2.175 -5.853 507 1HB LEU 69 2HB LEU 69 1.433 -0.826 -4.331 508 2HB LEU 69 1HB LEU 69 0.602 -2.345 -4.600 509 HG LEU 69 HG LEU 69 3.315 -1.981 -3.323 510 1HD1 LEU 69 1HD1 LEU 69 1.027 -1.538 -2.109 511 2HD1 LEU 69 2HD1 LEU 69 2.327 -2.419 -1.306 512 3HD1 LEU 69 3HD1 LEU 69 0.980 -3.299 -2.030 513 1HD2 LEU 69 1HD2 LEU 69 3.191 -4.433 -2.940 514 2HD2 LEU 69 2HD2 LEU 69 3.373 -3.989 -4.637 515 3HD2 LEU 69 3HD2 LEU 69 1.798 -4.492 -4.021 516 H LEU 70 H LEU 70 0.207 -1.832 -7.514 517 HA LEU 70 HA LEU 70 -0.691 -4.438 -7.630 518 1HB LEU 70 2HB LEU 70 -1.373 -2.038 -8.817 519 2HB LEU 70 1HB LEU 70 -0.947 -3.050 -10.183 520 HG LEU 70 HG LEU 70 -3.343 -3.139 -9.725 521 1HD1 LEU 70 1HD1 LEU 70 -3.314 -5.747 -9.126 522 2HD1 LEU 70 2HD1 LEU 70 -1.611 -5.523 -9.529 523 3HD1 LEU 70 3HD1 LEU 70 -2.858 -5.115 -10.708 524 1HD2 LEU 70 1HD2 LEU 70 -4.269 -3.535 -7.705 525 2HD2 LEU 70 2HD2 LEU 70 -2.721 -2.926 -7.119 526 3HD2 LEU 70 3HD2 LEU 70 -3.002 -4.664 -7.224 527 H PHE 71 H PHE 71 1.515 -2.836 -9.936 528 HA PHE 71 HA PHE 71 1.996 -5.211 -11.434 529 1HB PHE 71 2HB PHE 71 2.306 -2.767 -12.182 530 2HB PHE 71 1HB PHE 71 3.849 -2.837 -11.337 531 HD1 PHE 71 1HD PHE 71 5.280 -5.014 -11.964 532 HD2 PHE 71 2HD PHE 71 2.328 -3.193 -14.430 533 HE1 PHE 71 1HE PHE 71 6.325 -6.020 -13.951 534 HE2 PHE 71 2HE PHE 71 3.367 -4.196 -16.421 535 HZ PHE 71 HZ PHE 71 5.367 -5.613 -16.184 536 H ILE 72 H ILE 72 3.792 -3.488 -8.923 537 HA ILE 72 HA ILE 72 6.070 -5.121 -8.878 538 HB ILE 72 HB ILE 72 4.859 -3.620 -6.551 539 1HG1 ILE 72 2HG1 ILE 72 6.909 -2.710 -8.584 540 2HG1 ILE 72 1HG1 ILE 72 5.229 -2.187 -8.536 541 1HG2 ILE 72 1HG2 ILE 72 7.650 -4.643 -7.056 542 2HG2 ILE 72 2HG2 ILE 72 6.530 -5.177 -5.801 543 3HG2 ILE 72 3HG2 ILE 72 7.208 -3.549 -5.745 544 1HD1 ILE 72 1HD1 ILE 72 6.072 -0.463 -7.385 545 2HD1 ILE 72 2HD1 ILE 72 7.519 -1.351 -6.908 546 3HD1 ILE 72 3HD1 ILE 72 6.009 -1.583 -6.024 547 H HIS 73 H HIS 73 2.927 -5.464 -7.366 548 HA HIS 73 HA HIS 73 3.398 -7.319 -5.404 549 1HB HIS 73 2HB HIS 73 1.146 -6.289 -6.695 550 2HB HIS 73 1HB HIS 73 1.015 -8.032 -6.897 551 HD1 HIS 73 1HD HIS 73 2.503 -6.467 -3.817 552 HD2 HIS 73 2HD HIS 73 -0.998 -8.353 -5.023 553 HE1 HIS 73 1HE HIS 73 1.213 -6.904 -1.704 554 HE2 HIS 73 2HE HIS 73 -0.934 -7.983 -2.464 555 H ASP 74 H ASP 74 2.772 -8.039 -8.852 556 HA ASP 74 HA ASP 74 3.173 -10.845 -8.460 557 1HB ASP 74 2HB ASP 74 1.763 -9.951 -10.300 558 2HB ASP 74 1HB ASP 74 3.203 -9.263 -11.045 559 H THR 75 H THR 75 5.206 -8.160 -9.433 560 HA THR 75 HA THR 75 7.393 -9.739 -10.281 561 HB THR 75 HB THR 75 7.558 -6.991 -9.030 562 HG1 THR 75 1HG THR 75 7.132 -7.602 -11.763 563 1HG2 THR 75 1HG2 THR 75 9.234 -7.448 -11.319 564 2HG2 THR 75 2HG2 THR 75 9.556 -8.631 -10.051 565 3HG2 THR 75 3HG2 THR 75 9.664 -6.906 -9.696 566 H GLU 76 H GLU 76 6.009 -9.094 -7.265 567 HA GLU 76 HA GLU 76 7.775 -10.851 -5.956 568 1HB GLU 76 2HB GLU 76 8.375 -9.083 -4.153 569 2HB GLU 76 1HB GLU 76 9.322 -9.137 -5.634 570 1HG GLU 76 2HG GLU 76 7.768 -7.332 -6.512 571 2HG GLU 76 1HG GLU 76 7.200 -7.167 -4.851 572 H PHE 77 H PHE 77 5.676 -11.760 -5.831 573 HA PHE 77 HA PHE 77 3.495 -10.649 -4.509 574 1HB PHE 77 2HB PHE 77 4.420 -13.501 -4.824 575 2HB PHE 77 1HB PHE 77 2.933 -13.098 -3.976 576 HD1 PHE 77 1HD PHE 77 4.403 -13.807 -7.113 577 HD2 PHE 77 2HD PHE 77 1.214 -11.673 -5.273 578 HE1 PHE 77 1HE PHE 77 3.201 -13.762 -9.259 579 HE2 PHE 77 2HE PHE 77 0.006 -11.624 -7.415 580 HZ PHE 77 HZ PHE 77 0.998 -12.669 -9.412 581 H ILE 78 H ILE 78 4.096 -9.515 -2.692 582 HA ILE 78 HA ILE 78 5.244 -11.090 -0.483 583 HB ILE 78 HB ILE 78 5.889 -8.925 0.522 584 1HG1 ILE 78 2HG1 ILE 78 5.186 -7.661 -2.123 585 2HG1 ILE 78 1HG1 ILE 78 4.068 -7.658 -0.763 586 1HG2 ILE 78 1HG2 ILE 78 7.849 -8.809 -0.633 587 2HG2 ILE 78 2HG2 ILE 78 7.054 -8.834 -2.205 588 3HG2 ILE 78 3HG2 ILE 78 7.229 -10.327 -1.283 589 1HD1 ILE 78 1HD1 ILE 78 5.066 -5.654 -0.430 590 2HD1 ILE 78 2HD1 ILE 78 6.592 -6.167 -1.150 591 3HD1 ILE 78 3HD1 ILE 78 6.177 -6.670 0.488 592 H LEU 79 H LEU 79 4.351 -10.960 1.563 593 HA LEU 79 HA LEU 79 1.509 -10.539 1.607 594 1HB LEU 79 2HB LEU 79 3.356 -11.299 3.869 595 2HB LEU 79 1HB LEU 79 1.610 -11.435 3.865 596 HG LEU 79 HG LEU 79 3.168 -12.897 1.781 597 1HD1 LEU 79 1HD1 LEU 79 3.383 -14.816 3.301 598 2HD1 LEU 79 2HD1 LEU 79 2.828 -13.804 4.635 599 3HD1 LEU 79 3HD1 LEU 79 4.350 -13.436 3.824 600 1HD2 LEU 79 1HD2 LEU 79 0.557 -13.256 3.219 601 2HD2 LEU 79 2HD2 LEU 79 1.294 -14.552 2.278 602 3HD2 LEU 79 3HD2 LEU 79 0.844 -13.039 1.492 603 H PHE 80 H PHE 80 3.712 -9.543 4.203 604 HA PHE 80 HA PHE 80 2.714 -6.799 3.971 605 1HB PHE 80 2HB PHE 80 1.294 -7.778 5.666 606 2HB PHE 80 1HB PHE 80 2.686 -8.457 6.497 607 HD1 PHE 80 1HD PHE 80 2.768 -7.471 8.574 608 HD2 PHE 80 2HD PHE 80 2.119 -5.035 5.146 609 HE1 PHE 80 1HE PHE 80 2.930 -5.458 9.979 610 HE2 PHE 80 2HE PHE 80 2.281 -3.017 6.544 611 HZ PHE 80 HZ PHE 80 2.688 -3.227 8.963 612 H SER 81 H SER 81 4.111 -5.242 4.595 613 HA SER 81 HA SER 81 6.586 -5.898 5.917 614 1HB SER 81 2HB SER 81 7.947 -4.916 4.041 615 2HB SER 81 1HB SER 81 7.217 -6.485 3.688 616 HG SER 81 HG SER 81 5.558 -5.356 2.573 617 H LYS 82 H LYS 82 7.900 -3.897 6.302 618 HA LYS 82 HA LYS 82 6.110 -1.772 7.060 619 1HB LYS 82 2HB LYS 82 9.124 -1.777 7.256 620 2HB LYS 82 1HB LYS 82 7.993 -0.806 8.189 621 1HG LYS 82 2HG LYS 82 7.949 -3.794 8.352 622 2HG LYS 82 1HG LYS 82 9.091 -2.844 9.304 623 1HD LYS 82 2HD LYS 82 6.579 -1.613 9.618 624 2HD LYS 82 1HD LYS 82 6.307 -3.349 9.782 625 1HE LYS 82 2HE LYS 82 6.860 -2.111 11.911 626 2HE LYS 82 1HE LYS 82 7.859 -3.520 11.557 627 1HZ LYS 82 1HZ LYS 82 9.684 -2.261 11.275 628 2HZ LYS 82 2HZ LYS 82 8.846 -1.143 12.228 629 3HZ LYS 82 3HZ LYS 82 8.847 -0.985 10.543 630 H PHE 83 H PHE 83 5.598 -0.109 5.836 631 HA PHE 83 HA PHE 83 7.225 0.461 3.465 632 1HB PHE 83 2HB PHE 83 4.348 1.044 4.118 633 2HB PHE 83 1HB PHE 83 5.162 1.631 2.669 634 HD1 PHE 83 1HD PHE 83 3.994 -1.371 4.449 635 HD2 PHE 83 2HD PHE 83 5.574 0.195 0.820 636 HE1 PHE 83 1HE PHE 83 3.483 -3.493 3.314 637 HE2 PHE 83 2HE PHE 83 5.062 -1.922 -0.321 638 HZ PHE 83 HZ PHE 83 4.016 -3.771 0.925 639 H LYS 84 H LYS 84 8.464 2.152 3.440 640 HA LYS 84 HA LYS 84 7.952 4.362 5.301 641 1HB LYS 84 2HB LYS 84 10.170 4.378 5.660 642 2HB LYS 84 1HB LYS 84 10.319 2.970 4.623 643 1HG LYS 84 2HG LYS 84 10.825 4.305 2.733 644 2HG LYS 84 1HG LYS 84 10.362 5.787 3.571 645 1HD LYS 84 2HD LYS 84 12.739 5.713 3.550 646 2HD LYS 84 1HD LYS 84 12.224 5.332 5.195 647 1HE LYS 84 2HE LYS 84 12.356 2.870 4.397 648 2HE LYS 84 1HE LYS 84 13.351 3.520 3.096 649 1HZ LYS 84 1HZ LYS 84 14.006 4.284 5.845 650 2HZ LYS 84 2HZ LYS 84 15.028 4.052 4.517 651 3HZ LYS 84 3HZ LYS 84 14.401 2.716 5.343 652 H VAL 85 H VAL 85 7.507 6.389 4.514 653 HA VAL 85 HA VAL 85 7.586 6.668 1.596 654 HB VAL 85 HB VAL 85 5.412 6.245 1.738 655 1HG1 VAL 85 1HG1 VAL 85 3.978 6.505 3.601 656 2HG1 VAL 85 2HG1 VAL 85 5.074 7.653 4.364 657 3HG1 VAL 85 3HG1 VAL 85 5.524 5.956 4.235 658 1HG2 VAL 85 1HG2 VAL 85 5.456 9.172 2.356 659 2HG2 VAL 85 2HG2 VAL 85 4.044 8.291 1.786 660 3HG2 VAL 85 3HG2 VAL 85 5.478 8.413 0.768 661 H LYS 86 H LYS 86 7.684 8.630 0.720 662 HA LYS 86 HA LYS 86 8.427 10.886 2.450 663 1HB LYS 86 2HB LYS 86 10.218 9.424 1.058 664 2HB LYS 86 1HB LYS 86 9.719 10.532 -0.206 665 1HG LYS 86 2HG LYS 86 11.380 11.806 0.614 666 2HG LYS 86 1HG LYS 86 10.161 12.283 1.798 667 1HD LYS 86 2HD LYS 86 11.374 9.858 2.677 668 2HD LYS 86 1HD LYS 86 12.651 10.997 2.245 669 1HE LYS 86 2HE LYS 86 12.215 12.325 3.995 670 2HE LYS 86 1HE LYS 86 10.471 12.204 3.769 671 1HZ LYS 86 1HZ LYS 86 10.759 9.869 4.738 672 2HZ LYS 86 2HZ LYS 86 10.842 11.183 5.800 673 3HZ LYS 86 3HZ LYS 86 12.262 10.419 5.290 674 H ILE 87 H ILE 87 7.592 12.882 1.768 675 HA ILE 87 HA ILE 87 6.243 12.896 -0.849 676 HB ILE 87 HB ILE 87 5.108 14.172 1.649 677 1HG1 ILE 87 2HG1 ILE 87 4.114 11.844 -0.017 678 2HG1 ILE 87 1HG1 ILE 87 4.762 11.736 1.614 679 1HG2 ILE 87 1HG2 ILE 87 3.152 14.551 0.046 680 2HG2 ILE 87 2HG2 ILE 87 4.311 14.215 -1.243 681 3HG2 ILE 87 3HG2 ILE 87 4.573 15.578 -0.152 682 1HD1 ILE 87 1HD1 ILE 87 2.300 13.312 0.906 683 2HD1 ILE 87 2HD1 ILE 87 2.888 12.899 2.517 684 3HD1 ILE 87 3HD1 ILE 87 2.271 11.636 1.452 685 H ASP 88 H ASP 88 6.917 14.478 -2.130 686 HA ASP 88 HA ASP 88 7.976 16.925 -0.902 687 1HB ASP 88 2HB ASP 88 9.244 15.261 -3.081 688 2HB ASP 88 1HB ASP 88 9.721 16.922 -2.735 689 H GLU 89 H GLU 89 7.127 18.719 -1.724 690 HA GLU 89 HA GLU 89 5.304 18.590 -3.961 691 1HB GLU 89 2HB GLU 89 5.170 21.097 -3.560 692 2HB GLU 89 1HB GLU 89 4.664 20.080 -2.218 693 1HG GLU 89 2HG GLU 89 6.496 20.616 -0.940 694 2HG GLU 89 1HG GLU 89 7.477 21.051 -2.339 695 H LYS 90 H LYS 90 5.976 18.577 -5.943 696 HA LYS 90 HA LYS 90 8.621 19.360 -6.656 697 1HB LYS 90 2HB LYS 90 6.240 18.430 -8.258 698 2HB LYS 90 1HB LYS 90 7.761 18.880 -9.015 699 1HG LYS 90 2HG LYS 90 7.172 16.569 -7.210 700 2HG LYS 90 1HG LYS 90 7.895 16.571 -8.819 701 1HD LYS 90 2HD LYS 90 9.678 18.090 -7.441 702 2HD LYS 90 1HD LYS 90 9.134 16.971 -6.180 703 1HE LYS 90 2HE LYS 90 10.223 15.244 -7.099 704 2HE LYS 90 1HE LYS 90 9.674 15.651 -8.724 705 1HZ LYS 90 1HZ LYS 90 11.413 17.339 -8.834 706 2HZ LYS 90 2HZ LYS 90 12.067 15.803 -8.565 707 3HZ LYS 90 3HZ LYS 90 11.951 16.907 -7.289 708 H ASP 91 H ASP 91 8.406 20.580 -9.074 709 HA ASP 91 HA ASP 91 8.332 23.235 -8.413 710 1HB ASP 91 2HB ASP 91 8.364 21.712 -10.941 711 2HB ASP 91 1HB ASP 91 7.853 23.392 -11.067 712 H ASP 92 H ASP 92 5.627 21.380 -8.305 713 HA ASP 92 HA ASP 92 3.816 23.390 -7.930 714 1HB ASP 92 2HB ASP 92 4.365 23.013 -10.754 715 2HB ASP 92 1HB ASP 92 2.667 22.712 -10.392 716 H GLY 93 H GLY 93 4.433 20.173 -9.118 717 1HA GLY 93 2HA GLY 93 1.743 19.282 -8.415 718 2HA GLY 93 1HA GLY 93 2.980 18.321 -9.205 719 H LEU 94 H LEU 94 2.818 16.591 -7.886 720 HA LEU 94 HA LEU 94 3.834 16.927 -5.157 721 1HB LEU 94 2HB LEU 94 1.217 16.092 -5.966 722 2HB LEU 94 1HB LEU 94 2.025 14.738 -5.214 723 HG LEU 94 HG LEU 94 0.542 16.484 -3.871 724 1HD1 LEU 94 1HD1 LEU 94 1.498 14.424 -3.006 725 2HD1 LEU 94 2HD1 LEU 94 1.686 15.747 -1.853 726 3HD1 LEU 94 3HD1 LEU 94 3.063 15.220 -2.821 727 1HD2 LEU 94 1HD2 LEU 94 1.761 18.178 -2.778 728 2HD2 LEU 94 2HD2 LEU 94 2.129 18.350 -4.493 729 3HD2 LEU 94 3HD2 LEU 94 3.298 17.591 -3.413 730 H HIS 95 H HIS 95 5.324 15.424 -4.539 731 HA HIS 95 HA HIS 95 5.707 13.076 -6.281 732 1HB HIS 95 2HB HIS 95 7.583 15.237 -5.692 733 2HB HIS 95 1HB HIS 95 8.240 13.656 -5.287 734 HD1 HIS 95 1HD HIS 95 6.209 14.907 -8.265 735 HD2 HIS 95 2HD HIS 95 9.695 12.821 -7.395 736 HE1 HIS 95 1HE HIS 95 7.182 14.266 -10.493 737 HE2 HIS 95 2HE HIS 95 9.336 13.081 -9.942 738 H LEU 96 H LEU 96 6.191 11.163 -5.258 739 HA LEU 96 HA LEU 96 6.450 11.275 -2.335 740 1HB LEU 96 2HB LEU 96 4.170 10.633 -2.880 741 2HB LEU 96 1HB LEU 96 4.761 9.341 -3.909 742 HG LEU 96 HG LEU 96 5.636 9.298 -1.075 743 1HD1 LEU 96 1HD1 LEU 96 3.617 8.379 -0.249 744 2HD1 LEU 96 2HD1 LEU 96 2.882 8.381 -1.853 745 3HD1 LEU 96 3HD1 LEU 96 3.209 9.906 -1.028 746 1HD2 LEU 96 1HD2 LEU 96 5.661 6.984 -1.382 747 2HD2 LEU 96 2HD2 LEU 96 6.217 7.631 -2.924 748 3HD2 LEU 96 3HD2 LEU 96 4.560 7.067 -2.754 749 H THR 97 H THR 97 7.807 9.810 -1.368 750 HA THR 97 HA THR 97 9.205 7.945 -3.172 751 HB THR 97 HB THR 97 10.791 9.008 -0.929 752 HG1 THR 97 1HG THR 97 10.023 10.618 -3.121 753 1HG2 THR 97 1HG2 THR 97 12.021 9.302 -3.472 754 2HG2 THR 97 2HG2 THR 97 11.280 7.705 -3.370 755 3HG2 THR 97 3HG2 THR 97 12.446 8.215 -2.149 756 H GLY 98 H GLY 98 8.930 5.958 -2.532 757 1HA GLY 98 2HA GLY 98 8.564 5.424 0.337 758 2HA GLY 98 1HA GLY 98 7.580 4.637 -0.880 759 H THR 99 H THR 99 9.315 3.521 1.207 760 HA THR 99 HA THR 99 11.056 1.889 -0.525 761 HB THR 99 HB THR 99 11.642 2.541 2.365 762 HG1 THR 99 1HG THR 99 11.730 4.416 0.973 763 1HG2 THR 99 1HG2 THR 99 14.023 2.032 1.305 764 2HG2 THR 99 2HG2 THR 99 13.034 1.015 0.256 765 3HG2 THR 99 3HG2 THR 99 12.999 0.777 2.003 766 H ALA 100 H ALA 100 10.998 -0.323 -0.187 767 HA ALA 100 HA ALA 100 9.300 -1.301 2.006 768 1HB ALA 100 1HB ALA 100 8.042 -2.716 0.614 769 2HB ALA 100 2HB ALA 100 9.132 -2.481 -0.753 770 3HB ALA 100 3HB ALA 100 8.079 -1.166 -0.227 771 H MET 101 H MET 101 10.088 -3.018 3.067 772 HA MET 101 HA MET 101 12.253 -4.574 1.827 773 1HB MET 101 2HB MET 101 13.393 -3.106 3.308 774 2HB MET 101 1HB MET 101 12.193 -3.325 4.572 775 1HG MET 101 2HG MET 101 13.240 -5.099 5.404 776 2HG MET 101 1HG MET 101 13.474 -5.818 3.815 777 1HE MET 101 1HE MET 101 16.557 -6.529 4.480 778 2HE MET 101 2HE MET 101 16.801 -5.634 2.980 779 3HE MET 101 3HE MET 101 15.303 -6.527 3.242 780 H GLY 102 H GLY 102 12.379 -6.786 2.458 781 1HA GLY 102 2HA GLY 102 11.617 -8.596 3.890 782 2HA GLY 102 1HA GLY 102 10.113 -7.718 4.113 783 H GLU 103 H GLU 103 11.973 -8.527 1.209 784 HA GLU 103 HA GLU 103 9.522 -9.643 0.052 785 1HB GLU 103 2HB GLU 103 10.732 -7.721 -1.064 786 2HB GLU 103 1HB GLU 103 12.037 -8.846 -1.403 787 1HG GLU 103 2HG GLU 103 9.741 -10.130 -2.298 788 2HG GLU 103 1HG GLU 103 9.550 -8.447 -2.786 789 H GLU 104 H GLU 104 9.351 -11.775 0.066 790 HA GLU 104 HA GLU 104 11.140 -13.541 -1.104 791 1HB GLU 104 2HB GLU 104 12.188 -12.749 1.306 792 2HB GLU 104 1HB GLU 104 11.342 -14.226 1.746 793 1HG GLU 104 2HG GLU 104 12.597 -15.132 -0.408 794 2HG GLU 104 1HG GLU 104 13.714 -13.835 0.018 795 H ILE 105 H ILE 105 8.306 -13.042 -0.855 796 HA ILE 105 HA ILE 105 7.292 -15.387 0.558 797 HB ILE 105 HB ILE 105 5.790 -13.193 -0.869 798 1HG1 ILE 105 2HG1 ILE 105 6.846 -12.192 1.004 799 2HG1 ILE 105 1HG1 ILE 105 5.205 -12.550 1.532 800 1HG2 ILE 105 1HG2 ILE 105 4.555 -15.317 -0.733 801 2HG2 ILE 105 2HG2 ILE 105 3.815 -14.055 0.252 802 3HG2 ILE 105 3HG2 ILE 105 4.775 -15.322 1.017 803 1HD1 ILE 105 1HD1 ILE 105 7.723 -14.026 2.226 804 2HD1 ILE 105 2HD1 ILE 105 6.109 -14.647 2.570 805 3HD1 ILE 105 3HD1 ILE 105 6.648 -13.137 3.304 806 H LYS 106 H LYS 106 6.392 -17.129 -0.406 807 HA LYS 106 HA LYS 106 6.872 -17.475 -3.248 808 1HB LYS 106 2HB LYS 106 7.094 -19.172 -1.132 809 2HB LYS 106 1HB LYS 106 5.509 -19.620 -1.744 810 1HG LYS 106 2HG LYS 106 6.597 -19.866 -4.013 811 2HG LYS 106 1HG LYS 106 8.146 -19.724 -3.177 812 1HD LYS 106 2HD LYS 106 8.040 -21.824 -2.412 813 2HD LYS 106 1HD LYS 106 6.357 -21.643 -1.913 814 1HE LYS 106 2HE LYS 106 5.881 -23.061 -3.572 815 2HE LYS 106 1HE LYS 106 6.175 -21.700 -4.653 816 1HZ LYS 106 1HZ LYS 106 7.990 -23.921 -3.954 817 2HZ LYS 106 2HZ LYS 106 8.595 -22.467 -4.571 818 3HZ LYS 106 3HZ LYS 106 7.510 -23.387 -5.486 819 H GLU 107 H GLU 107 5.103 -18.682 -4.502 820 HA GLU 107 HA GLU 107 2.845 -17.021 -4.696 821 1HB GLU 107 2HB GLU 107 3.185 -19.817 -5.787 822 2HB GLU 107 1HB GLU 107 2.017 -18.623 -6.336 823 1HG GLU 107 2HG GLU 107 4.016 -17.157 -6.896 824 2HG GLU 107 1HG GLU 107 4.997 -18.603 -6.666 825 H GLY 108 H GLY 108 0.886 -17.068 -3.773 826 1HA GLY 108 2HA GLY 108 -0.762 -17.638 -2.275 827 2HA GLY 108 1HA GLY 108 -0.587 -19.248 -2.957 828 H HIS 109 H HIS 109 1.595 -17.295 -0.937 829 HA HIS 109 HA HIS 109 2.101 -19.589 0.745 830 1HB HIS 109 2HB HIS 109 3.862 -17.917 0.014 831 2HB HIS 109 1HB HIS 109 3.130 -16.781 1.142 832 HD1 HIS 109 1HD HIS 109 6.059 -17.841 1.424 833 HD2 HIS 109 2HD HIS 109 2.755 -19.363 3.432 834 HE1 HIS 109 1HE HIS 109 6.979 -18.964 3.477 835 HE2 HIS 109 2HE HIS 109 4.954 -19.801 4.721 836 H GLU 110 H GLU 110 0.523 -20.092 2.136 837 HA GLU 110 HA GLU 110 -0.965 -19.950 3.849 838 1HB GLU 110 2HB GLU 110 1.308 -18.746 4.701 839 2HB GLU 110 1HB GLU 110 0.156 -17.435 4.916 840 1HG GLU 110 2HG GLU 110 0.053 -18.462 6.956 841 2HG GLU 110 1HG GLU 110 -1.273 -19.256 6.107 842 H ARG 111 H ARG 111 -2.895 -19.506 2.904 843 HA ARG 111 HA ARG 111 -3.610 -16.674 2.528 844 1HB ARG 111 2HB ARG 111 -4.854 -19.157 1.329 845 2HB ARG 111 1HB ARG 111 -5.419 -17.514 1.059 846 1HG ARG 111 2HG ARG 111 -2.623 -18.374 0.387 847 2HG ARG 111 1HG ARG 111 -3.967 -18.549 -0.743 848 1HD ARG 111 2HD ARG 111 -4.404 -16.086 -0.421 849 2HD ARG 111 1HD ARG 111 -2.867 -16.010 0.441 850 HE ARG 111 HE ARG 111 -1.794 -16.077 -1.570 851 1HH1 ARG 111 1HH1 ARG 111 -5.048 -17.257 -2.018 852 2HH1 ARG 111 2HH1 ARG 111 -4.904 -17.367 -3.740 853 1HH2 ARG 111 1HH2 ARG 111 -1.603 -16.221 -3.835 854 2HH2 ARG 111 2HH2 ARG 111 -2.949 -16.780 -4.771 855 H ARG 112 H ARG 112 -4.989 -15.794 3.937 856 HA ARG 112 HA ARG 112 -6.631 -17.608 5.577 857 1HB ARG 112 2HB ARG 112 -6.544 -15.995 7.353 858 2HB ARG 112 1HB ARG 112 -4.904 -16.304 6.807 859 1HG ARG 112 2HG ARG 112 -4.584 -14.180 6.198 860 2HG ARG 112 1HG ARG 112 -6.174 -14.051 5.454 861 1HD ARG 112 2HD ARG 112 -6.177 -12.522 7.245 862 2HD ARG 112 1HD ARG 112 -7.117 -13.906 7.794 863 HE ARG 112 HE ARG 112 -4.428 -13.159 8.690 864 1HH1 ARG 112 1HH1 ARG 112 -7.237 -15.218 9.007 865 2HH1 ARG 112 2HH1 ARG 112 -6.746 -15.852 10.539 866 1HH2 ARG 112 1HH2 ARG 112 -3.792 -13.998 10.703 867 2HH2 ARG 112 2HH2 ARG 112 -4.796 -15.162 11.502 868 H ASP 113 H ASP 113 -6.629 -14.706 3.626 869 HA ASP 113 HA ASP 113 -9.567 -14.620 3.838 870 1HB ASP 113 2HB ASP 113 -7.534 -12.468 3.879 871 2HB ASP 113 1HB ASP 113 -8.976 -12.145 2.920 872 H GLU 114 H GLU 114 -10.697 -13.896 1.894 873 HA GLU 114 HA GLU 114 -9.235 -14.662 -0.547 874 1HB GLU 114 2HB GLU 114 -11.133 -16.168 0.314 875 2HB GLU 114 1HB GLU 114 -12.216 -14.887 -0.212 876 1HG GLU 114 2HG GLU 114 -11.499 -15.122 -2.480 877 2HG GLU 114 1HG GLU 114 -10.228 -16.252 -2.010 878 H VAL 115 H VAL 115 -8.705 -12.820 -1.546 879 HA VAL 115 HA VAL 115 -10.786 -10.750 -1.859 880 HB VAL 115 HB VAL 115 -8.758 -9.954 -0.702 881 1HG1 VAL 115 1HG1 VAL 115 -7.254 -11.578 -2.003 882 2HG1 VAL 115 2HG1 VAL 115 -6.619 -9.975 -1.632 883 3HG1 VAL 115 3HG1 VAL 115 -7.223 -10.333 -3.250 884 1HG2 VAL 115 1HG2 VAL 115 -10.096 -8.440 -2.124 885 2HG2 VAL 115 2HG2 VAL 115 -9.017 -8.793 -3.474 886 3HG2 VAL 115 3HG2 VAL 115 -8.398 -7.975 -2.039 887 H LYS 116 H LYS 116 -11.773 -10.994 -3.744 888 HA LYS 116 HA LYS 116 -10.802 -12.404 -5.941 889 1HB LYS 116 2HB LYS 116 -13.065 -10.556 -5.447 890 2HB LYS 116 1HB LYS 116 -12.609 -10.806 -7.126 891 1HG LYS 116 2HG LYS 116 -13.206 -13.020 -7.107 892 2HG LYS 116 1HG LYS 116 -12.990 -13.174 -5.361 893 1HD LYS 116 2HD LYS 116 -15.047 -12.238 -4.892 894 2HD LYS 116 1HD LYS 116 -15.119 -11.372 -6.428 895 1HE LYS 116 2HE LYS 116 -16.530 -13.004 -7.045 896 2HE LYS 116 1HE LYS 116 -15.068 -13.965 -7.261 897 1HZ LYS 116 1HZ LYS 116 -16.349 -15.307 -5.928 898 2HZ LYS 116 2HZ LYS 116 -17.013 -14.021 -5.055 899 3HZ LYS 116 3HZ LYS 116 -15.416 -14.500 -4.769 900 H ALA 117 H ALA 117 -10.281 -9.089 -4.991 901 HA ALA 117 HA ALA 117 -8.108 -8.670 -6.645 902 1HB ALA 117 1HB ALA 117 -9.271 -8.792 -8.636 903 2HB ALA 117 2HB ALA 117 -9.277 -7.057 -8.320 904 3HB ALA 117 3HB ALA 117 -10.710 -8.023 -7.965 905 H VAL 118 H VAL 118 -7.979 -6.117 -7.231 906 HA VAL 118 HA VAL 118 -8.716 -4.733 -4.741 907 HB VAL 118 HB VAL 118 -6.421 -4.013 -6.562 908 1HG1 VAL 118 1HG1 VAL 118 -6.204 -2.207 -5.292 909 2HG1 VAL 118 2HG1 VAL 118 -6.112 -3.202 -3.840 910 3HG1 VAL 118 3HG1 VAL 118 -7.678 -2.654 -4.435 911 1HG2 VAL 118 1HG2 VAL 118 -5.793 -6.116 -5.756 912 2HG2 VAL 118 2HG2 VAL 118 -6.519 -5.828 -4.174 913 3HG2 VAL 118 3HG2 VAL 118 -5.039 -4.984 -4.632 914 H THR 119 H THR 119 -10.432 -3.473 -5.112 915 HA THR 119 HA THR 119 -10.525 -1.959 -7.636 916 HB THR 119 HB THR 119 -12.852 -2.613 -5.823 917 HG1 THR 119 1HG THR 119 -11.833 -3.952 -8.090 918 1HG2 THR 119 1HG2 THR 119 -12.606 -0.909 -8.096 919 2HG2 THR 119 2HG2 THR 119 -14.023 -1.252 -7.104 920 3HG2 THR 119 3HG2 THR 119 -13.649 -2.274 -8.491 921 H PHE 120 H PHE 120 -9.656 -0.029 -7.248 922 HA PHE 120 HA PHE 120 -9.248 1.413 -5.026 923 1HB PHE 120 2HB PHE 120 -9.580 3.484 -6.433 924 2HB PHE 120 1HB PHE 120 -8.497 2.274 -7.112 925 HD1 PHE 120 1HD PHE 120 -11.572 4.117 -7.532 926 HD2 PHE 120 2HD PHE 120 -9.277 0.839 -8.981 927 HE1 PHE 120 1HE PHE 120 -12.903 4.105 -9.601 928 HE2 PHE 120 2HE PHE 120 -10.605 0.820 -11.052 929 HZ PHE 120 HZ PHE 120 -12.420 2.455 -11.364 930 H HIS 121 H HIS 121 -10.683 1.495 -3.345 931 HA HIS 121 HA HIS 121 -13.458 1.731 -3.499 932 1HB HIS 121 2HB HIS 121 -12.336 1.210 -1.371 933 2HB HIS 121 1HB HIS 121 -11.623 2.812 -1.339 934 HD1 HIS 121 1HD HIS 121 -15.024 3.086 -2.479 935 HD2 HIS 121 2HD HIS 121 -13.150 2.752 1.214 936 HE1 HIS 121 1HE HIS 121 -16.721 3.860 -0.793 937 HE2 HIS 121 2HE HIS 121 -15.601 3.549 1.442 938 H MET 122 H MET 122 -10.876 3.961 -3.582 939 HA MET 122 HA MET 122 -12.050 5.982 -5.036 940 1HB MET 122 2HB MET 122 -12.972 6.058 -2.391 941 2HB MET 122 1HB MET 122 -11.713 7.284 -2.457 942 1HG MET 122 2HG MET 122 -13.745 7.236 -4.621 943 2HG MET 122 1HG MET 122 -14.219 7.835 -3.033 944 1HE MET 122 1HE MET 122 -13.594 8.807 -6.209 945 2HE MET 122 2HE MET 122 -11.837 8.654 -6.236 946 3HE MET 122 3HE MET 122 -12.583 10.252 -6.247 947 H MET 123 H MET 123 -9.761 4.917 -2.602 948 HA MET 123 HA MET 123 -7.558 5.346 -2.256 949 1HB MET 123 2HB MET 123 -7.541 5.932 -5.224 950 2HB MET 123 1HB MET 123 -6.177 5.425 -4.241 951 1HG MET 123 2HG MET 123 -8.408 3.576 -4.096 952 2HG MET 123 1HG MET 123 -7.791 3.793 -5.731 953 1HE MET 123 1HE MET 123 -4.743 2.954 -6.203 954 2HE MET 123 2HE MET 123 -6.401 2.578 -6.671 955 3HE MET 123 3HE MET 123 -5.366 1.316 -6.003 956 H GLU 124 H GLU 124 -8.781 7.315 -1.269 957 HA GLU 124 HA GLU 124 -7.345 9.698 -2.221 958 1HB GLU 124 2HB GLU 124 -9.296 11.093 -1.788 959 2HB GLU 124 1HB GLU 124 -9.687 9.851 -2.970 960 1HG GLU 124 2HG GLU 124 -11.368 9.149 -1.727 961 2HG GLU 124 1HG GLU 124 -10.279 8.849 -0.374 962 H ILE 125 H ILE 125 -6.381 10.856 -0.651 963 HA ILE 125 HA ILE 125 -6.660 9.808 2.053 964 HB ILE 125 HB ILE 125 -4.621 11.786 1.061 965 1HG1 ILE 125 2HG1 ILE 125 -3.792 9.003 1.568 966 2HG1 ILE 125 1HG1 ILE 125 -4.818 9.223 0.154 967 1HG2 ILE 125 1HG2 ILE 125 -4.714 10.038 3.513 968 2HG2 ILE 125 2HG2 ILE 125 -4.917 11.790 3.466 969 3HG2 ILE 125 3HG2 ILE 125 -3.362 11.070 3.046 970 1HD1 ILE 125 1HD1 ILE 125 -2.058 9.636 0.366 971 2HD1 ILE 125 2HD1 ILE 125 -2.788 11.232 0.181 972 3HD1 ILE 125 3HD1 ILE 125 -3.103 9.974 -1.015 973 H LEU 126 H LEU 126 -8.101 10.759 3.296 974 HA LEU 126 HA LEU 126 -8.613 13.640 2.960 975 1HB LEU 126 2HB LEU 126 -10.685 13.241 4.203 976 2HB LEU 126 1HB LEU 126 -10.580 12.222 2.779 977 HG LEU 126 HG LEU 126 -9.529 10.573 4.680 978 1HD1 LEU 126 1HD1 LEU 126 -11.491 10.841 6.455 979 2HD1 LEU 126 2HD1 LEU 126 -11.295 12.538 6.018 980 3HD1 LEU 126 3HD1 LEU 126 -9.925 11.626 6.650 981 1HD2 LEU 126 1HD2 LEU 126 -11.324 9.262 4.217 982 2HD2 LEU 126 2HD2 LEU 126 -11.538 10.456 2.936 983 3HD2 LEU 126 3HD2 LEU 126 -12.481 10.578 4.422 984 H ASP 127 H ASP 127 -8.216 15.075 4.597 985 HA ASP 127 HA ASP 127 -6.826 13.964 6.919 986 1HB ASP 127 2HB ASP 127 -5.991 16.292 7.247 987 2HB ASP 127 1HB ASP 127 -5.533 15.586 5.699 988 H GLU 128 H GLU 128 -7.785 13.861 8.809 989 HA GLU 128 HA GLU 128 -9.932 15.775 9.446 990 1HB GLU 128 2HB GLU 128 -10.851 13.524 8.986 991 2HB GLU 128 1HB GLU 128 -9.819 12.859 10.245 992 1HG GLU 128 2HG GLU 128 -11.000 13.981 11.947 993 2HG GLU 128 1HG GLU 128 -11.840 15.009 10.788 994 H ASP 129 H ASP 129 -9.617 16.899 11.304 995 HA ASP 129 HA ASP 129 -8.667 17.591 13.275 996 1HB ASP 129 2HB ASP 129 -9.528 15.114 13.759 997 2HB ASP 129 1HB ASP 129 -7.801 14.820 13.940 998 H GLY 130 H GLY 130 -7.004 16.990 10.788 999 1HA GLY 130 2HA GLY 130 -4.785 17.641 10.356 1000 2HA GLY 130 1HA GLY 130 -4.415 17.419 12.062 1001 H LEU 131 H LEU 131 -6.168 14.811 11.179 1002 HA LEU 131 HA LEU 131 -3.786 13.155 10.847 1003 1HB LEU 131 2HB LEU 131 -6.392 12.832 12.105 1004 2HB LEU 131 1HB LEU 131 -5.992 11.479 11.065 1005 HG LEU 131 HG LEU 131 -3.983 12.433 13.062 1006 1HD1 LEU 131 1HD1 LEU 131 -5.048 10.575 14.537 1007 2HD1 LEU 131 2HD1 LEU 131 -6.509 10.942 13.621 1008 3HD1 LEU 131 3HD1 LEU 131 -5.719 12.206 14.563 1009 1HD2 LEU 131 1HD2 LEU 131 -4.656 9.798 11.772 1010 2HD2 LEU 131 2HD2 LEU 131 -3.459 9.992 13.052 1011 3HD2 LEU 131 3HD2 LEU 131 -3.225 10.795 11.499 1012 H ILE 132 H ILE 132 -3.578 11.690 9.153 1013 HA ILE 132 HA ILE 132 -5.165 12.361 6.774 1014 HB ILE 132 HB ILE 132 -3.228 10.653 5.863 1015 1HG1 ILE 132 2HG1 ILE 132 -2.234 10.792 8.239 1016 2HG1 ILE 132 1HG1 ILE 132 -1.146 11.071 6.887 1017 1HG2 ILE 132 1HG2 ILE 132 -2.032 13.124 5.632 1018 2HG2 ILE 132 2HG2 ILE 132 -3.741 13.513 5.829 1019 3HG2 ILE 132 3HG2 ILE 132 -3.225 12.436 4.532 1020 1HD1 ILE 132 1HD1 ILE 132 -1.122 13.401 7.263 1021 2HD1 ILE 132 2HD1 ILE 132 -0.892 12.628 8.832 1022 3HD1 ILE 132 3HD1 ILE 132 -2.463 13.302 8.404 1023 H LYS 133 H LYS 133 -6.411 10.895 5.719 1024 HA LYS 133 HA LYS 133 -6.219 8.092 6.558 1025 1HB LYS 133 2HB LYS 133 -8.630 9.856 6.628 1026 2HB LYS 133 1HB LYS 133 -8.835 8.151 6.255 1027 1HG LYS 133 2HG LYS 133 -8.628 7.575 8.386 1028 2HG LYS 133 1HG LYS 133 -7.142 8.510 8.562 1029 1HD LYS 133 2HD LYS 133 -8.628 9.483 10.089 1030 2HD LYS 133 1HD LYS 133 -8.665 10.563 8.693 1031 1HE LYS 133 2HE LYS 133 -10.912 10.093 9.605 1032 2HE LYS 133 1HE LYS 133 -10.729 9.575 7.929 1033 1HZ LYS 133 1HZ LYS 133 -11.742 8.035 9.847 1034 2HZ LYS 133 2HZ LYS 133 -10.117 7.573 9.940 1035 3HZ LYS 133 3HZ LYS 133 -10.956 7.421 8.479 1036 H ALA 134 H ALA 134 -6.407 6.643 4.941 1037 HA ALA 134 HA ALA 134 -7.231 7.609 2.270 1038 1HB ALA 134 1HB ALA 134 -4.834 5.979 3.043 1039 2HB ALA 134 2HB ALA 134 -4.919 7.428 2.042 1040 3HB ALA 134 3HB ALA 134 -5.512 5.890 1.418 1041 H ARG 135 H ARG 135 -8.490 6.163 1.021 1042 HA ARG 135 HA ARG 135 -9.160 3.635 2.362 1043 1HB ARG 135 2HB ARG 135 -11.506 4.003 1.320 1044 2HB ARG 135 1HB ARG 135 -11.066 4.799 2.824 1045 1HG ARG 135 2HG ARG 135 -11.691 6.696 1.884 1046 2HG ARG 135 1HG ARG 135 -10.263 6.576 0.848 1047 1HD ARG 135 2HD ARG 135 -11.463 5.889 -0.951 1048 2HD ARG 135 1HD ARG 135 -12.655 5.038 0.028 1049 HE ARG 135 HE ARG 135 -12.751 7.789 -0.829 1050 1HH1 ARG 135 1HH1 ARG 135 -13.942 5.434 1.456 1051 2HH1 ARG 135 2HH1 ARG 135 -15.382 6.326 1.814 1052 1HH2 ARG 135 1HH2 ARG 135 -14.645 8.964 -0.355 1053 2HH2 ARG 135 2HH2 ARG 135 -15.781 8.328 0.787 1054 H VAL 136 H VAL 136 -8.955 1.830 1.296 1055 HA VAL 136 HA VAL 136 -9.229 1.855 -1.637 1056 HB VAL 136 HB VAL 136 -7.152 0.269 -0.125 1057 1HG1 VAL 136 1HG1 VAL 136 -8.313 -0.293 -2.556 1058 2HG1 VAL 136 2HG1 VAL 136 -6.744 -0.873 -2.000 1059 3HG1 VAL 136 3HG1 VAL 136 -6.844 0.572 -3.004 1060 1HG2 VAL 136 1HG2 VAL 136 -7.107 2.940 -1.367 1061 2HG2 VAL 136 2HG2 VAL 136 -5.752 1.887 -1.773 1062 3HG2 VAL 136 3HG2 VAL 136 -6.100 2.265 -0.086 1063 H ILE 137 H ILE 137 -10.855 0.586 -2.199 1064 HA ILE 137 HA ILE 137 -11.863 -1.554 -0.574 1065 HB ILE 137 HB ILE 137 -12.923 0.040 -2.791 1066 1HG1 ILE 137 2HG1 ILE 137 -14.184 -1.407 -0.458 1067 2HG1 ILE 137 1HG1 ILE 137 -13.705 0.284 -0.484 1068 1HG2 ILE 137 1HG2 ILE 137 -12.950 -2.057 -3.953 1069 2HG2 ILE 137 2HG2 ILE 137 -14.592 -1.673 -3.442 1070 3HG2 ILE 137 3HG2 ILE 137 -13.649 -2.869 -2.553 1071 1HD1 ILE 137 1HD1 ILE 137 -15.715 -0.805 -2.415 1072 2HD1 ILE 137 2HD1 ILE 137 -15.436 0.868 -1.930 1073 3HD1 ILE 137 3HD1 ILE 137 -16.167 -0.270 -0.796 1074 H LEU 138 H LEU 138 -11.921 -3.644 -1.034 1075 HA LEU 138 HA LEU 138 -10.494 -4.590 -3.412 1076 1HB LEU 138 2HB LEU 138 -10.328 -5.906 -0.708 1077 2HB LEU 138 1HB LEU 138 -9.349 -6.231 -2.129 1078 HG LEU 138 HG LEU 138 -7.922 -5.006 -0.727 1079 1HD1 LEU 138 1HD1 LEU 138 -8.723 -2.531 -2.004 1080 2HD1 LEU 138 2HD1 LEU 138 -8.755 -3.885 -3.133 1081 3HD1 LEU 138 3HD1 LEU 138 -7.276 -3.510 -2.251 1082 1HD2 LEU 138 1HD2 LEU 138 -9.925 -4.288 0.730 1083 2HD2 LEU 138 2HD2 LEU 138 -9.940 -2.841 -0.283 1084 3HD2 LEU 138 3HD2 LEU 138 -8.505 -3.244 0.663 1085 H ASP 139 H ASP 139 -11.204 -6.641 -4.221 1086 HA ASP 139 HA ASP 139 -14.039 -6.976 -3.845 1087 1HB ASP 139 2HB ASP 139 -12.720 -7.107 -6.054 1088 2HB ASP 139 1HB ASP 139 -12.320 -8.748 -5.557 1089 H LEU 140 H LEU 140 -15.132 -8.608 -2.963 1090 HA LEU 140 HA LEU 140 -14.162 -10.035 -0.836 1091 1HB LEU 140 2HB LEU 140 -16.611 -9.802 -2.203 1092 2HB LEU 140 1HB LEU 140 -16.288 -11.520 -2.077 1093 HG LEU 140 HG LEU 140 -17.647 -10.722 -0.208 1094 1HD1 LEU 140 1HD1 LEU 140 -15.776 -12.523 -0.037 1095 2HD1 LEU 140 2HD1 LEU 140 -16.564 -11.932 1.425 1096 3HD1 LEU 140 3HD1 LEU 140 -14.973 -11.320 0.972 1097 1HD2 LEU 140 1HD2 LEU 140 -16.851 -8.428 -0.101 1098 2HD2 LEU 140 2HD2 LEU 140 -15.266 -8.987 0.435 1099 3HD2 LEU 140 3HD2 LEU 140 -16.677 -9.217 1.467 Start of MODEL 4 1 1H MET 1 1HT MET 1 -2.666 -1.342 14.746 2 2H MET 1 2HT MET 1 -4.042 -2.109 15.429 3 3H MET 1 3HT MET 1 -3.632 -0.508 15.891 4 HA MET 1 HA MET 1 -4.691 -1.478 13.336 5 1HB MET 1 2HB MET 1 -5.630 0.036 15.673 6 2HB MET 1 1HB MET 1 -6.042 0.777 14.132 7 1HG MET 1 2HG MET 1 -7.097 -1.312 13.417 8 2HG MET 1 1HG MET 1 -6.702 -2.035 14.974 9 1HE MET 1 1HE MET 1 -7.359 -1.265 17.098 10 2HE MET 1 2HE MET 1 -8.939 -2.021 16.897 11 3HE MET 1 3HE MET 1 -8.821 -0.371 17.511 12 H LYS 2 H LYS 2 -2.994 1.145 14.972 13 HA LYS 2 HA LYS 2 -1.794 2.915 14.198 14 1HB LYS 2 2HB LYS 2 -1.759 1.436 11.563 15 2HB LYS 2 1HB LYS 2 -0.634 2.679 12.092 16 1HG LYS 2 2HG LYS 2 0.257 1.229 13.787 17 2HG LYS 2 1HG LYS 2 -0.959 0.001 13.428 18 1HD LYS 2 2HD LYS 2 0.145 -0.740 11.606 19 2HD LYS 2 1HD LYS 2 0.654 0.881 11.130 20 1HE LYS 2 2HE LYS 2 2.648 -0.194 11.691 21 2HE LYS 2 1HE LYS 2 2.258 0.755 13.124 22 1HZ LYS 2 1HZ LYS 2 1.194 -1.326 14.010 23 2HZ LYS 2 2HZ LYS 2 2.879 -1.370 13.878 24 3HZ LYS 2 3HZ LYS 2 1.921 -2.161 12.732 25 H GLY 3 H GLY 3 -4.655 3.033 14.074 26 1HA GLY 3 2HA GLY 3 -6.119 4.711 13.420 27 2HA GLY 3 1HA GLY 3 -4.904 5.291 12.290 28 H PHE 4 H PHE 4 -5.373 1.980 11.897 29 HA PHE 4 HA PHE 4 -6.990 2.490 9.512 30 1HB PHE 4 2HB PHE 4 -5.645 1.035 8.490 31 2HB PHE 4 1HB PHE 4 -4.690 0.960 9.964 32 HD1 PHE 4 1HD PHE 4 -6.401 -0.933 7.600 33 HD2 PHE 4 2HD PHE 4 -5.685 -0.710 11.789 34 HE1 PHE 4 1HE PHE 4 -6.940 -3.324 7.816 35 HE2 PHE 4 2HE PHE 4 -6.223 -3.099 12.012 36 HZ PHE 4 HZ PHE 4 -6.852 -4.411 10.025 37 H GLU 5 H GLU 5 -8.939 1.514 9.136 38 HA GLU 5 HA GLU 5 -9.948 -0.472 11.013 39 1HB GLU 5 2HB GLU 5 -11.992 0.781 11.481 40 2HB GLU 5 1HB GLU 5 -10.576 1.671 12.026 41 1HG GLU 5 2HG GLU 5 -11.050 3.401 10.722 42 2HG GLU 5 1HG GLU 5 -11.292 2.368 9.314 43 H PHE 6 H PHE 6 -11.825 -1.593 10.257 44 HA PHE 6 HA PHE 6 -12.234 -1.319 7.352 45 1HB PHE 6 2HB PHE 6 -12.841 -3.758 7.423 46 2HB PHE 6 1HB PHE 6 -11.159 -3.409 7.806 47 HD1 PHE 6 1HD PHE 6 -10.252 -3.887 9.950 48 HD2 PHE 6 2HD PHE 6 -14.412 -4.396 9.209 49 HE1 PHE 6 1HE PHE 6 -10.474 -5.122 12.067 50 HE2 PHE 6 2HE PHE 6 -14.642 -5.630 11.325 51 HZ PHE 6 HZ PHE 6 -12.672 -5.994 12.757 52 H PHE 7 H PHE 7 -14.320 -1.521 6.506 53 HA PHE 7 HA PHE 7 -16.468 -1.210 8.497 54 1HB PHE 7 2HB PHE 7 -17.600 -0.375 6.146 55 2HB PHE 7 1HB PHE 7 -16.882 0.684 7.351 56 HD1 PHE 7 1HD PHE 7 -16.234 -1.091 4.175 57 HD2 PHE 7 2HD PHE 7 -14.965 1.952 6.865 58 HE1 PHE 7 1HE PHE 7 -14.646 -0.266 2.487 59 HE2 PHE 7 2HE PHE 7 -13.374 2.785 5.181 60 HZ PHE 7 HZ PHE 7 -13.214 1.678 2.987 61 H ASP 8 H ASP 8 -18.675 -1.949 7.634 62 HA ASP 8 HA ASP 8 -18.519 -4.724 7.163 63 1HB ASP 8 2HB ASP 8 -21.025 -4.517 6.807 64 2HB ASP 8 1HB ASP 8 -20.396 -3.993 8.365 65 H VAL 9 H VAL 9 -17.473 -5.188 5.302 66 HA VAL 9 HA VAL 9 -18.717 -4.340 2.775 67 HB VAL 9 HB VAL 9 -16.173 -3.980 3.162 68 1HG1 VAL 9 1HG1 VAL 9 -16.137 -6.894 2.430 69 2HG1 VAL 9 2HG1 VAL 9 -15.875 -6.289 4.064 70 3HG1 VAL 9 3HG1 VAL 9 -14.759 -5.852 2.779 71 1HG2 VAL 9 1HG2 VAL 9 -17.066 -5.447 0.693 72 2HG2 VAL 9 2HG2 VAL 9 -15.773 -4.253 0.829 73 3HG2 VAL 9 3HG2 VAL 9 -17.452 -3.762 1.037 74 H THR 10 H THR 10 -19.084 -5.898 1.123 75 HA THR 10 HA THR 10 -18.972 -8.715 1.938 76 HB THR 10 HB THR 10 -21.399 -7.296 0.844 77 HG1 THR 10 1HG THR 10 -21.065 -8.743 3.255 78 1HG2 THR 10 1HG2 THR 10 -20.907 -10.226 1.252 79 2HG2 THR 10 2HG2 THR 10 -21.459 -9.400 -0.205 80 3HG2 THR 10 3HG2 THR 10 -22.524 -9.525 1.195 81 H ALA 11 H ALA 11 -17.393 -9.295 0.468 82 HA ALA 11 HA ALA 11 -17.185 -10.347 -1.700 83 1HB ALA 11 1HB ALA 11 -17.832 -9.206 -3.722 84 2HB ALA 11 2HB ALA 11 -18.294 -7.768 -2.814 85 3HB ALA 11 3HB ALA 11 -19.219 -9.260 -2.634 86 H ASP 12 H ASP 12 -16.692 -6.968 -0.918 87 HA ASP 12 HA ASP 12 -13.859 -7.257 -1.647 88 1HB ASP 12 2HB ASP 12 -14.393 -4.513 -1.736 89 2HB ASP 12 1HB ASP 12 -14.057 -5.570 -3.089 90 H ALA 13 H ALA 13 -12.568 -5.445 -0.405 91 HA ALA 13 HA ALA 13 -13.771 -4.791 2.140 92 1HB ALA 13 1HB ALA 13 -11.951 -6.981 1.810 93 2HB ALA 13 2HB ALA 13 -12.823 -6.454 3.249 94 3HB ALA 13 3HB ALA 13 -11.252 -5.752 2.864 95 H GLY 14 H GLY 14 -13.347 -2.774 2.555 96 1HA GLY 14 2HA GLY 14 -10.793 -1.608 1.630 97 2HA GLY 14 1HA GLY 14 -12.308 -0.738 1.582 98 H PHE 15 H PHE 15 -9.572 -0.703 3.195 99 HA PHE 15 HA PHE 15 -10.842 -0.331 5.820 100 1HB PHE 15 2HB PHE 15 -7.876 -0.483 5.374 101 2HB PHE 15 1HB PHE 15 -8.778 -0.767 6.856 102 HD1 PHE 15 1HD PHE 15 -8.315 -2.150 3.430 103 HD2 PHE 15 2HD PHE 15 -9.267 -2.921 7.504 104 HE1 PHE 15 1HE PHE 15 -8.339 -4.563 2.962 105 HE2 PHE 15 2HE PHE 15 -9.291 -5.339 7.045 106 HZ PHE 15 HZ PHE 15 -8.828 -6.163 4.771 107 H TRP 16 H TRP 16 -10.320 1.490 7.064 108 HA TRP 16 HA TRP 16 -9.451 3.800 5.457 109 1HB TRP 16 2HB TRP 16 -11.834 3.475 6.786 110 2HB TRP 16 1HB TRP 16 -10.875 4.336 7.981 111 HD1 TRP 16 HD TRP 16 -10.161 5.233 4.381 112 HE1 TRP 16 1HE TRP 16 -11.112 7.571 3.884 113 HE3 TRP 16 3HE TRP 16 -12.887 5.921 8.649 114 HZ2 TRP 16 2HZ TRP 16 -12.800 9.457 5.135 115 HZ3 TRP 16 3HZ TRP 16 -14.143 8.019 8.921 116 HH2 TRP 16 HH TRP 16 -14.100 9.749 7.199 117 H ALA 17 H ALA 17 -7.599 4.710 6.024 118 HA ALA 17 HA ALA 17 -6.631 4.370 8.781 119 1HB ALA 17 1HB ALA 17 -4.579 4.530 6.673 120 2HB ALA 17 2HB ALA 17 -5.512 3.034 6.719 121 3HB ALA 17 3HB ALA 17 -4.619 3.560 8.146 122 H TYR 18 H TYR 18 -5.158 5.940 9.505 123 HA TYR 18 HA TYR 18 -5.675 8.505 8.190 124 1HB TYR 18 2HB TYR 18 -4.887 8.434 11.037 125 2HB TYR 18 1HB TYR 18 -5.987 9.489 10.192 126 HD1 TYR 18 1HD TYR 18 -5.851 7.082 12.627 127 HD2 TYR 18 2HD TYR 18 -8.124 8.165 9.203 128 HE1 TYR 18 1HE TYR 18 -7.769 5.837 13.517 129 HE2 TYR 18 2HE TYR 18 -10.051 6.914 10.077 130 HH TYR 18 HH TYR 18 -10.206 5.785 13.283 131 H GLY 19 H GLY 19 -4.086 10.182 8.436 132 1HA GLY 19 2HA GLY 19 -1.357 9.087 8.324 133 2HA GLY 19 1HA GLY 19 -1.896 10.493 7.483 134 H HIS 20 H HIS 20 0.117 11.076 8.401 135 HA HIS 20 HA HIS 20 -0.333 12.581 10.840 136 1HB HIS 20 2HB HIS 20 1.078 11.280 11.928 137 2HB HIS 20 1HB HIS 20 1.285 10.277 10.529 138 HD1 HIS 20 1HD HIS 20 3.494 10.268 9.418 139 HD2 HIS 20 2HD HIS 20 3.126 13.388 12.130 140 HE1 HIS 20 1HE HIS 20 5.773 11.274 9.565 141 HE2 HIS 20 2HE HIS 20 5.561 13.109 11.291 142 H ASP 21 H ASP 21 0.295 12.563 7.670 143 HA ASP 21 HA ASP 21 0.777 15.125 7.135 144 1HB ASP 21 2HB ASP 21 3.224 13.998 8.328 145 2HB ASP 21 1HB ASP 21 3.490 14.834 6.802 146 H LEU 22 H LEU 22 -0.274 12.942 5.875 147 HA LEU 22 HA LEU 22 -0.535 12.090 3.785 148 1HB LEU 22 2HB LEU 22 1.875 13.781 3.108 149 2HB LEU 22 1HB LEU 22 0.910 12.907 1.940 150 HG LEU 22 HG LEU 22 0.328 15.247 1.898 151 1HD1 LEU 22 1HD1 LEU 22 -1.633 14.342 1.338 152 2HD1 LEU 22 2HD1 LEU 22 -2.152 14.836 2.948 153 3HD1 LEU 22 3HD1 LEU 22 -1.596 13.188 2.669 154 1HD2 LEU 22 1HD2 LEU 22 -0.555 15.028 4.762 155 2HD2 LEU 22 2HD2 LEU 22 -0.450 16.473 3.760 156 3HD2 LEU 22 3HD2 LEU 22 1.021 15.657 4.288 157 H GLU 23 H GLU 23 2.947 12.357 4.448 158 HA GLU 23 HA GLU 23 3.804 10.057 3.198 159 1HB GLU 23 2HB GLU 23 5.086 11.965 4.468 160 2HB GLU 23 1HB GLU 23 5.026 10.837 5.810 161 1HG GLU 23 2HG GLU 23 6.087 9.141 4.341 162 2HG GLU 23 1HG GLU 23 6.282 10.398 3.120 163 H GLU 24 H GLU 24 2.220 10.401 6.305 164 HA GLU 24 HA GLU 24 2.841 7.778 7.226 165 1HB GLU 24 2HB GLU 24 2.038 9.893 8.544 166 2HB GLU 24 1HB GLU 24 0.441 9.262 8.188 167 1HG GLU 24 2HG GLU 24 0.935 8.386 10.280 168 2HG GLU 24 1HG GLU 24 1.272 7.063 9.168 169 H VAL 25 H VAL 25 -0.103 9.208 5.775 170 HA VAL 25 HA VAL 25 -1.687 6.911 5.935 171 HB VAL 25 HB VAL 25 -2.829 7.943 3.796 172 1HG1 VAL 25 1HG1 VAL 25 -3.357 7.981 6.411 173 2HG1 VAL 25 2HG1 VAL 25 -4.333 8.841 5.221 174 3HG1 VAL 25 3HG1 VAL 25 -3.107 9.707 6.149 175 1HG2 VAL 25 1HG2 VAL 25 -1.231 10.282 4.831 176 2HG2 VAL 25 2HG2 VAL 25 -2.519 10.350 3.631 177 3HG2 VAL 25 3HG2 VAL 25 -1.022 9.498 3.265 178 H PHE 26 H PHE 26 0.293 8.034 3.174 179 HA PHE 26 HA PHE 26 -0.300 6.029 1.378 180 1HB PHE 26 2HB PHE 26 2.485 7.122 1.801 181 2HB PHE 26 1HB PHE 26 1.807 6.479 0.312 182 HD1 PHE 26 1HD PHE 26 2.833 9.371 1.714 183 HD2 PHE 26 2HD PHE 26 -0.614 7.766 -0.186 184 HE1 PHE 26 1HE PHE 26 2.152 11.635 1.065 185 HE2 PHE 26 2HE PHE 26 -1.304 10.035 -0.846 186 HZ PHE 26 HZ PHE 26 0.077 11.973 -0.219 187 H GLU 27 H GLU 27 1.889 5.974 4.116 188 HA GLU 27 HA GLU 27 3.060 3.437 3.631 189 1HB GLU 27 2HB GLU 27 3.566 5.443 5.361 190 2HB GLU 27 1HB GLU 27 2.689 4.368 6.425 191 1HG GLU 27 2HG GLU 27 4.746 3.040 4.838 192 2HG GLU 27 1HG GLU 27 5.361 4.271 5.939 193 H ASN 28 H ASN 28 0.240 4.523 5.459 194 HA ASN 28 HA ASN 28 -0.440 1.963 6.499 195 1HB ASN 28 2HB ASN 28 -1.366 4.631 6.783 196 2HB ASN 28 1HB ASN 28 -2.747 3.653 6.292 197 1HD2 ASN 28 1HD2 ASN 28 -2.423 1.314 7.479 198 2HD2 ASN 28 2HD2 ASN 28 -2.361 1.476 9.198 199 H ALA 29 H ALA 29 -1.076 3.628 3.513 200 HA ALA 29 HA ALA 29 -3.357 2.361 2.592 201 1HB ALA 29 1HB ALA 29 -1.224 2.740 0.593 202 2HB ALA 29 2HB ALA 29 -1.659 4.164 1.538 203 3HB ALA 29 3HB ALA 29 -2.890 3.318 0.602 204 H ALA 30 H ALA 30 0.023 1.308 2.231 205 HA ALA 30 HA ALA 30 -0.637 -1.127 0.916 206 1HB ALA 30 1HB ALA 30 1.535 -0.375 0.514 207 2HB ALA 30 2HB ALA 30 1.762 -1.729 1.620 208 3HB ALA 30 3HB ALA 30 1.848 -0.076 2.224 209 H LEU 31 H LEU 31 -0.414 -0.125 4.232 210 HA LEU 31 HA LEU 31 -0.110 -2.652 5.441 211 1HB LEU 31 2HB LEU 31 -0.226 -0.042 6.310 212 2HB LEU 31 1HB LEU 31 -1.709 -0.724 6.952 213 HG LEU 31 HG LEU 31 0.255 -2.615 7.564 214 1HD1 LEU 31 1HD1 LEU 31 1.262 0.116 8.324 215 2HD1 LEU 31 2HD1 LEU 31 1.907 -0.819 6.975 216 3HD1 LEU 31 3HD1 LEU 31 2.029 -1.444 8.620 217 1HD2 LEU 31 1HD2 LEU 31 -0.479 -0.573 9.584 218 2HD2 LEU 31 2HD2 LEU 31 -0.508 -2.334 9.686 219 3HD2 LEU 31 3HD2 LEU 31 -1.790 -1.479 8.827 220 H ALA 32 H ALA 32 -2.989 -0.760 4.595 221 HA ALA 32 HA ALA 32 -4.904 -2.457 5.731 222 1HB ALA 32 1HB ALA 32 -5.930 -0.537 5.131 223 2HB ALA 32 2HB ALA 32 -6.266 -1.435 3.644 224 3HB ALA 32 3HB ALA 32 -4.908 -0.310 3.710 225 H MET 33 H MET 33 -3.435 -2.457 2.507 226 HA MET 33 HA MET 33 -5.002 -4.626 1.526 227 1HB MET 33 2HB MET 33 -3.898 -2.947 0.066 228 2HB MET 33 1HB MET 33 -2.336 -3.612 0.524 229 1HG MET 33 2HG MET 33 -4.260 -5.568 -0.514 230 2HG MET 33 1HG MET 33 -3.741 -4.340 -1.667 231 1HE MET 33 1HE MET 33 -1.185 -6.206 -3.233 232 2HE MET 33 2HE MET 33 -0.890 -4.531 -2.765 233 3HE MET 33 3HE MET 33 -2.514 -5.046 -3.218 234 H PHE 34 H PHE 34 -1.662 -4.374 2.723 235 HA PHE 34 HA PHE 34 -1.073 -7.129 2.455 236 1HB PHE 34 2HB PHE 34 0.202 -4.772 3.694 237 2HB PHE 34 1HB PHE 34 0.626 -6.318 4.422 238 HD1 PHE 34 1HD PHE 34 2.515 -7.319 3.617 239 HD2 PHE 34 2HD PHE 34 0.194 -4.904 0.992 240 HE1 PHE 34 1HE PHE 34 4.139 -7.726 1.813 241 HE2 PHE 34 2HE PHE 34 1.813 -5.306 -0.817 242 HZ PHE 34 HZ PHE 34 3.788 -6.719 -0.407 243 H GLU 35 H GLU 35 -2.522 -5.217 5.008 244 HA GLU 35 HA GLU 35 -2.309 -7.002 7.138 245 1HB GLU 35 2HB GLU 35 -4.174 -4.795 6.421 246 2HB GLU 35 1HB GLU 35 -4.665 -5.886 7.709 247 1HG GLU 35 2HG GLU 35 -1.948 -4.658 7.768 248 2HG GLU 35 1HG GLU 35 -3.353 -3.713 8.260 249 H VAL 36 H VAL 36 -4.422 -6.996 4.370 250 HA VAL 36 HA VAL 36 -6.141 -9.074 5.431 251 HB VAL 36 HB VAL 36 -6.225 -8.473 2.532 252 1HG1 VAL 36 1HG1 VAL 36 -8.720 -8.214 3.315 253 2HG1 VAL 36 2HG1 VAL 36 -8.125 -9.055 4.746 254 3HG1 VAL 36 3HG1 VAL 36 -7.976 -9.805 3.157 255 1HG2 VAL 36 1HG2 VAL 36 -7.652 -6.392 3.160 256 2HG2 VAL 36 2HG2 VAL 36 -5.898 -6.244 3.054 257 3HG2 VAL 36 3HG2 VAL 36 -6.677 -6.391 4.630 258 H MET 37 H MET 37 -3.442 -8.755 3.223 259 HA MET 37 HA MET 37 -3.630 -11.454 2.248 260 1HB MET 37 2HB MET 37 -1.418 -9.411 1.991 261 2HB MET 37 1HB MET 37 -1.478 -10.947 1.138 262 1HG MET 37 2HG MET 37 -3.823 -9.181 0.841 263 2HG MET 37 1HG MET 37 -2.323 -8.646 0.084 264 1HE MET 37 1HE MET 37 -2.631 -10.025 -3.175 265 2HE MET 37 2HE MET 37 -1.184 -10.298 -2.205 266 3HE MET 37 3HE MET 37 -2.098 -8.800 -2.025 267 H THR 38 H THR 38 -1.963 -9.787 4.811 268 HA THR 38 HA THR 38 -1.351 -12.130 6.222 269 HB THR 38 HB THR 38 0.296 -12.454 4.407 270 HG1 THR 38 1HG THR 38 1.094 -13.351 6.166 271 1HG2 THR 38 1HG2 THR 38 1.318 -10.681 3.555 272 2HG2 THR 38 2HG2 THR 38 2.343 -10.709 4.991 273 3HG2 THR 38 3HG2 THR 38 0.913 -9.677 4.948 274 H ASP 39 H ASP 39 0.926 -11.356 7.619 275 HA ASP 39 HA ASP 39 0.136 -8.754 8.755 276 1HB ASP 39 2HB ASP 39 -0.282 -11.033 10.067 277 2HB ASP 39 1HB ASP 39 1.411 -10.812 10.496 278 H THR 40 H THR 40 1.681 -7.401 8.048 279 HA THR 40 HA THR 40 4.391 -8.178 7.640 280 HB THR 40 HB THR 40 4.803 -5.860 7.106 281 HG1 THR 40 1HG THR 40 2.202 -5.315 8.092 282 1HG2 THR 40 1HG2 THR 40 2.031 -6.494 6.130 283 2HG2 THR 40 2HG2 THR 40 3.507 -7.181 5.449 284 3HG2 THR 40 3HG2 THR 40 3.226 -5.441 5.372 285 H SER 41 H SER 41 2.621 -7.056 10.361 286 HA SER 41 HA SER 41 4.293 -5.649 11.930 287 1HB SER 41 2HB SER 41 2.063 -6.396 12.641 288 2HB SER 41 1HB SER 41 2.680 -8.035 12.855 289 HG SER 41 HG SER 41 3.789 -5.813 14.205 290 H LEU 42 H LEU 42 4.751 -8.993 11.023 291 HA LEU 42 HA LEU 42 7.163 -9.068 12.707 292 1HB LEU 42 2HB LEU 42 6.965 -11.613 12.294 293 2HB LEU 42 1HB LEU 42 5.928 -10.852 13.481 294 HG LEU 42 HG LEU 42 4.818 -12.564 12.026 295 1HD1 LEU 42 1HD1 LEU 42 2.908 -11.541 12.493 296 2HD1 LEU 42 2HD1 LEU 42 3.241 -10.242 11.349 297 3HD1 LEU 42 3HD1 LEU 42 3.865 -10.147 12.996 298 1HD2 LEU 42 1HD2 LEU 42 5.886 -12.108 9.922 299 2HD2 LEU 42 2HD2 LEU 42 5.252 -10.464 9.910 300 3HD2 LEU 42 3HD2 LEU 42 4.151 -11.832 9.758 301 H VAL 43 H VAL 43 7.808 -7.716 10.672 302 HA VAL 43 HA VAL 43 8.594 -9.396 8.425 303 HB VAL 43 HB VAL 43 7.668 -7.174 7.949 304 1HG1 VAL 43 1HG1 VAL 43 9.018 -5.160 8.457 305 2HG1 VAL 43 2HG1 VAL 43 10.086 -6.162 9.438 306 3HG1 VAL 43 3HG1 VAL 43 8.396 -5.962 9.899 307 1HG2 VAL 43 1HG2 VAL 43 9.139 -6.633 6.234 308 2HG2 VAL 43 2HG2 VAL 43 9.515 -8.325 6.558 309 3HG2 VAL 43 3HG2 VAL 43 10.563 -7.053 7.187 310 H GLU 44 H GLU 44 10.627 -10.072 8.022 311 HA GLU 44 HA GLU 44 12.624 -9.617 10.094 312 1HB GLU 44 2HB GLU 44 11.943 -11.899 8.983 313 2HB GLU 44 1HB GLU 44 13.077 -11.399 7.736 314 1HG GLU 44 2HG GLU 44 14.296 -11.017 10.280 315 2HG GLU 44 1HG GLU 44 13.619 -12.644 10.209 316 H ALA 45 H ALA 45 11.929 -8.619 6.871 317 HA ALA 45 HA ALA 45 12.991 -7.214 5.430 318 1HB ALA 45 1HB ALA 45 14.551 -6.596 7.929 319 2HB ALA 45 2HB ALA 45 13.251 -5.659 7.192 320 3HB ALA 45 3HB ALA 45 14.822 -5.764 6.399 321 H ALA 46 H ALA 46 14.042 -8.153 3.819 322 HA ALA 46 HA ALA 46 16.654 -9.408 4.367 323 1HB ALA 46 1HB ALA 46 15.207 -11.204 3.868 324 2HB ALA 46 2HB ALA 46 16.086 -10.888 2.371 325 3HB ALA 46 3HB ALA 46 14.426 -10.317 2.558 326 H GLU 47 H GLU 47 14.608 -7.909 1.914 327 HA GLU 47 HA GLU 47 17.013 -6.772 0.654 328 1HB GLU 47 2HB GLU 47 16.164 -7.140 -1.445 329 2HB GLU 47 1HB GLU 47 15.545 -8.546 -0.602 330 1HG GLU 47 2HG GLU 47 13.686 -7.892 -1.715 331 2HG GLU 47 1HG GLU 47 13.472 -6.991 -0.216 332 H GLU 48 H GLU 48 16.400 -4.771 -0.693 333 HA GLU 48 HA GLU 48 14.184 -3.306 0.489 334 1HB GLU 48 2HB GLU 48 16.087 -2.730 1.905 335 2HB GLU 48 1HB GLU 48 17.030 -2.275 0.491 336 1HG GLU 48 2HG GLU 48 15.190 -0.559 0.042 337 2HG GLU 48 1HG GLU 48 14.668 -0.880 1.696 338 H ARG 49 H ARG 49 13.050 -2.369 -1.056 339 HA ARG 49 HA ARG 49 14.420 -1.597 -3.549 340 1HB ARG 49 2HB ARG 49 12.245 -2.068 -4.700 341 2HB ARG 49 1HB ARG 49 13.037 -3.492 -4.041 342 1HG ARG 49 2HG ARG 49 11.252 -3.989 -2.835 343 2HG ARG 49 1HG ARG 49 11.265 -2.393 -2.082 344 1HD ARG 49 2HD ARG 49 9.610 -1.636 -3.389 345 2HD ARG 49 1HD ARG 49 10.281 -2.390 -4.834 346 HE ARG 49 HE ARG 49 8.254 -3.461 -3.097 347 1HH1 ARG 49 1HH1 ARG 49 10.723 -4.236 -5.440 348 2HH1 ARG 49 2HH1 ARG 49 9.992 -5.738 -5.897 349 1HH2 ARG 49 1HH2 ARG 49 7.293 -5.437 -3.697 350 2HH2 ARG 49 2HH2 ARG 49 8.045 -6.420 -4.908 351 H ARG 50 H ARG 50 13.539 0.257 -4.659 352 HA ARG 50 HA ARG 50 11.975 2.019 -2.889 353 1HB ARG 50 2HB ARG 50 14.547 2.468 -4.265 354 2HB ARG 50 1HB ARG 50 13.397 3.795 -4.361 355 1HG ARG 50 2HG ARG 50 13.281 3.149 -1.716 356 2HG ARG 50 1HG ARG 50 14.973 2.825 -2.098 357 1HD ARG 50 2HD ARG 50 13.625 5.380 -2.917 358 2HD ARG 50 1HD ARG 50 14.351 5.186 -1.323 359 HE ARG 50 HE ARG 50 16.314 4.432 -3.063 360 1HH1 ARG 50 1HH1 ARG 50 14.363 7.296 -2.651 361 2HH1 ARG 50 2HH1 ARG 50 15.579 8.365 -3.268 362 1HH2 ARG 50 1HH2 ARG 50 17.915 5.836 -3.874 363 2HH2 ARG 50 2HH2 ARG 50 17.595 7.536 -3.962 364 H VAL 51 H VAL 51 10.435 3.307 -3.782 365 HA VAL 51 HA VAL 51 9.951 3.058 -6.675 366 HB VAL 51 HB VAL 51 7.786 3.063 -4.566 367 1HG1 VAL 51 1HG1 VAL 51 6.624 2.112 -6.792 368 2HG1 VAL 51 2HG1 VAL 51 7.822 3.184 -7.515 369 3HG1 VAL 51 3HG1 VAL 51 6.648 3.823 -6.365 370 1HG2 VAL 51 1HG2 VAL 51 8.152 0.669 -6.230 371 2HG2 VAL 51 2HG2 VAL 51 7.753 0.814 -4.519 372 3HG2 VAL 51 3HG2 VAL 51 9.428 0.961 -5.049 373 H GLU 52 H GLU 52 8.975 4.880 -7.666 374 HA GLU 52 HA GLU 52 8.871 7.291 -5.983 375 1HB GLU 52 2HB GLU 52 10.503 6.740 -8.336 376 2HB GLU 52 1HB GLU 52 9.540 8.201 -8.514 377 1HG GLU 52 2HG GLU 52 10.584 8.409 -5.966 378 2HG GLU 52 1HG GLU 52 11.900 7.712 -6.910 379 H ILE 53 H ILE 53 7.242 8.727 -6.387 380 HA ILE 53 HA ILE 53 5.429 8.136 -8.607 381 HB ILE 53 HB ILE 53 3.977 8.849 -6.178 382 1HG1 ILE 53 2HG1 ILE 53 5.398 6.176 -6.288 383 2HG1 ILE 53 1HG1 ILE 53 5.671 7.443 -5.101 384 1HG2 ILE 53 1HG2 ILE 53 3.719 6.560 -8.109 385 2HG2 ILE 53 2HG2 ILE 53 2.987 8.156 -8.307 386 3HG2 ILE 53 3HG2 ILE 53 2.493 7.120 -6.967 387 1HD1 ILE 53 1HD1 ILE 53 3.226 7.172 -4.480 388 2HD1 ILE 53 2HD1 ILE 53 4.323 5.868 -4.028 389 3HD1 ILE 53 3HD1 ILE 53 3.271 5.689 -5.431 390 H THR 54 H THR 54 4.180 9.868 -9.329 391 HA THR 54 HA THR 54 4.851 12.480 -8.138 392 HB THR 54 HB THR 54 4.721 13.449 -10.403 393 HG1 THR 54 1HG THR 54 4.462 10.750 -11.231 394 1HG2 THR 54 1HG2 THR 54 6.622 11.293 -10.946 395 2HG2 THR 54 2HG2 THR 54 6.851 12.117 -9.404 396 3HG2 THR 54 3HG2 THR 54 6.858 13.040 -10.907 397 H SER 55 H SER 55 3.111 13.307 -7.211 398 HA SER 55 HA SER 55 0.496 12.914 -8.509 399 1HB SER 55 2HB SER 55 0.233 11.715 -6.536 400 2HB SER 55 1HB SER 55 1.277 12.799 -5.618 401 HG SER 55 HG SER 55 -0.353 14.172 -5.345 402 H GLU 56 H GLU 56 -1.093 14.631 -8.006 403 HA GLU 56 HA GLU 56 -0.076 17.189 -7.145 404 1HB GLU 56 2HB GLU 56 -1.121 16.978 -9.967 405 2HB GLU 56 1HB GLU 56 -0.416 18.387 -9.184 406 1HG GLU 56 2HG GLU 56 1.734 17.142 -9.037 407 2HG GLU 56 1HG GLU 56 0.993 15.861 -9.997 408 H ASP 57 H ASP 57 -2.209 15.215 -6.519 409 HA ASP 57 HA ASP 57 -4.338 17.120 -6.167 410 1HB ASP 57 2HB ASP 57 -4.478 15.778 -8.497 411 2HB ASP 57 1HB ASP 57 -5.304 14.628 -7.449 412 H ARG 58 H ARG 58 -2.485 15.167 -4.696 413 HA ARG 58 HA ARG 58 -2.558 13.979 -2.764 414 1HB ARG 58 2HB ARG 58 -5.093 15.449 -2.785 415 2HB ARG 58 1HB ARG 58 -5.141 13.980 -1.821 416 1HG ARG 58 2HG ARG 58 -4.463 15.514 -0.266 417 2HG ARG 58 1HG ARG 58 -2.909 14.898 -0.831 418 1HD ARG 58 2HD ARG 58 -3.255 16.893 -2.584 419 2HD ARG 58 1HD ARG 58 -4.165 17.547 -1.223 420 HE ARG 58 HE ARG 58 -1.725 16.650 -0.238 421 1HH1 ARG 58 1HH1 ARG 58 -2.906 19.087 -2.439 422 2HH1 ARG 58 2HH1 ARG 58 -1.592 20.173 -2.138 423 1HH2 ARG 58 1HH2 ARG 58 0.003 18.078 0.159 424 2HH2 ARG 58 2HH2 ARG 58 0.060 19.601 -0.663 425 H VAL 59 H VAL 59 -5.785 13.372 -4.160 426 HA VAL 59 HA VAL 59 -5.955 10.695 -3.478 427 HB VAL 59 HB VAL 59 -7.613 10.472 -5.303 428 1HG1 VAL 59 1HG1 VAL 59 -8.978 12.596 -4.508 429 2HG1 VAL 59 2HG1 VAL 59 -7.678 12.681 -3.320 430 3HG1 VAL 59 3HG1 VAL 59 -8.675 11.231 -3.432 431 1HG2 VAL 59 1HG2 VAL 59 -6.573 11.826 -7.004 432 2HG2 VAL 59 2HG2 VAL 59 -6.720 13.268 -5.998 433 3HG2 VAL 59 3HG2 VAL 59 -8.167 12.485 -6.636 434 H SER 60 H SER 60 -4.426 12.178 -6.280 435 HA SER 60 HA SER 60 -4.054 9.881 -7.830 436 1HB SER 60 2HB SER 60 -3.612 12.384 -8.397 437 2HB SER 60 1HB SER 60 -2.003 12.078 -7.745 438 HG SER 60 HG SER 60 -2.678 11.651 -10.154 439 H LEU 61 H LEU 61 -2.053 11.257 -5.243 440 HA LEU 61 HA LEU 61 0.172 9.620 -5.489 441 1HB LEU 61 2HB LEU 61 -0.744 11.515 -3.665 442 2HB LEU 61 1HB LEU 61 -0.581 10.062 -2.708 443 HG LEU 61 HG LEU 61 1.638 10.318 -2.554 444 1HD1 LEU 61 1HD1 LEU 61 3.100 10.736 -4.548 445 2HD1 LEU 61 2HD1 LEU 61 1.644 10.735 -5.537 446 3HD1 LEU 61 3HD1 LEU 61 2.102 9.285 -4.644 447 1HD2 LEU 61 1HD2 LEU 61 0.738 12.900 -3.690 448 2HD2 LEU 61 2HD2 LEU 61 2.475 12.610 -3.597 449 3HD2 LEU 61 3HD2 LEU 61 1.490 12.537 -2.136 450 H LEU 62 H LEU 62 -2.815 9.047 -3.655 451 HA LEU 62 HA LEU 62 -2.040 6.461 -2.743 452 1HB LEU 62 2HB LEU 62 -3.912 8.082 -1.885 453 2HB LEU 62 1HB LEU 62 -4.904 7.271 -3.078 454 HG LEU 62 HG LEU 62 -5.398 6.036 -1.199 455 1HD1 LEU 62 1HD1 LEU 62 -2.939 4.686 -2.334 456 2HD1 LEU 62 2HD1 LEU 62 -4.611 4.469 -2.861 457 3HD1 LEU 62 3HD1 LEU 62 -4.112 3.915 -1.262 458 1HD2 LEU 62 1HD2 LEU 62 -2.677 6.840 -0.343 459 2HD2 LEU 62 2HD2 LEU 62 -3.314 5.332 0.311 460 3HD2 LEU 62 3HD2 LEU 62 -4.197 6.839 0.550 461 H TYR 63 H TYR 63 -4.139 7.606 -5.362 462 HA TYR 63 HA TYR 63 -4.953 5.139 -6.354 463 1HB TYR 63 2HB TYR 63 -5.746 7.495 -7.002 464 2HB TYR 63 1HB TYR 63 -4.391 7.507 -8.126 465 HD1 TYR 63 1HD TYR 63 -7.048 5.051 -7.164 466 HD2 TYR 63 2HD TYR 63 -5.005 7.074 -10.299 467 HE1 TYR 63 1HE TYR 63 -8.420 3.858 -8.820 468 HE2 TYR 63 2HE TYR 63 -6.372 5.888 -11.964 469 HH TYR 63 HH TYR 63 -8.318 3.211 -11.173 470 H ASP 64 H ASP 64 -1.993 6.940 -6.888 471 HA ASP 64 HA ASP 64 -1.065 4.982 -8.839 472 1HB ASP 64 2HB ASP 64 -0.061 7.658 -7.918 473 2HB ASP 64 1HB ASP 64 0.995 6.565 -8.806 474 H TRP 65 H TRP 65 -0.821 5.612 -5.479 475 HA TRP 65 HA TRP 65 1.760 4.481 -5.074 476 1HB TRP 65 2HB TRP 65 0.902 5.980 -3.404 477 2HB TRP 65 1HB TRP 65 -0.520 4.970 -3.161 478 HD1 TRP 65 HD TRP 65 -0.189 4.264 -0.690 479 HE1 TRP 65 1HE TRP 65 1.615 2.950 0.589 480 HE3 TRP 65 3HE TRP 65 3.396 4.016 -4.337 481 HZ2 TRP 65 2HZ TRP 65 4.206 1.943 0.122 482 HZ3 TRP 65 3HZ TRP 65 5.505 2.860 -3.837 483 HH2 TRP 65 HH TRP 65 5.903 1.845 -1.651 484 H LEU 66 H LEU 66 -1.523 3.221 -4.502 485 HA LEU 66 HA LEU 66 -0.605 0.623 -3.822 486 1HB LEU 66 2HB LEU 66 -3.052 1.991 -3.786 487 2HB LEU 66 1HB LEU 66 -3.300 0.635 -4.869 488 HG LEU 66 HG LEU 66 -2.430 0.512 -1.982 489 1HD1 LEU 66 1HD1 LEU 66 -4.841 0.923 -2.473 490 2HD1 LEU 66 2HD1 LEU 66 -4.517 -0.571 -1.594 491 3HD1 LEU 66 3HD1 LEU 66 -4.876 -0.624 -3.320 492 1HD2 LEU 66 1HD2 LEU 66 -2.270 -1.473 -4.170 493 2HD2 LEU 66 2HD2 LEU 66 -2.881 -2.046 -2.619 494 3HD2 LEU 66 3HD2 LEU 66 -1.285 -1.301 -2.717 495 H ASP 67 H ASP 67 -1.868 2.045 -6.821 496 HA ASP 67 HA ASP 67 -2.002 -0.245 -8.382 497 1HB ASP 67 2HB ASP 67 -2.750 2.008 -9.125 498 2HB ASP 67 1HB ASP 67 -1.066 2.496 -9.279 499 H GLU 68 H GLU 68 0.741 1.646 -7.353 500 HA GLU 68 HA GLU 68 2.688 0.476 -9.048 501 1HB GLU 68 2HB GLU 68 2.637 2.517 -7.173 502 2HB GLU 68 1HB GLU 68 3.651 1.301 -6.411 503 1HG GLU 68 2HG GLU 68 4.981 2.886 -7.677 504 2HG GLU 68 1HG GLU 68 5.103 1.267 -8.364 505 H LEU 69 H LEU 69 1.316 -0.330 -5.935 506 HA LEU 69 HA LEU 69 3.139 -2.412 -5.289 507 1HB LEU 69 2HB LEU 69 1.131 -1.056 -3.966 508 2HB LEU 69 1HB LEU 69 0.466 -2.668 -4.147 509 HG LEU 69 HG LEU 69 3.179 -2.130 -2.946 510 1HD1 LEU 69 1HD1 LEU 69 0.469 -2.013 -1.764 511 2HD1 LEU 69 2HD1 LEU 69 1.949 -1.169 -1.306 512 3HD1 LEU 69 3HD1 LEU 69 1.714 -2.852 -0.838 513 1HD2 LEU 69 1HD2 LEU 69 1.411 -4.544 -2.650 514 2HD2 LEU 69 2HD2 LEU 69 3.114 -4.376 -2.224 515 3HD2 LEU 69 3HD2 LEU 69 2.629 -4.401 -3.918 516 H LEU 70 H LEU 70 0.160 -2.206 -7.087 517 HA LEU 70 HA LEU 70 -0.532 -4.916 -7.165 518 1HB LEU 70 2HB LEU 70 -1.658 -2.644 -8.080 519 2HB LEU 70 1HB LEU 70 -1.056 -3.308 -9.586 520 HG LEU 70 HG LEU 70 -2.589 -5.153 -7.844 521 1HD1 LEU 70 1HD1 LEU 70 -3.969 -3.218 -7.607 522 2HD1 LEU 70 2HD1 LEU 70 -4.725 -4.282 -8.793 523 3HD1 LEU 70 3HD1 LEU 70 -3.843 -2.851 -9.327 524 1HD2 LEU 70 1HD2 LEU 70 -3.165 -4.785 -10.713 525 2HD2 LEU 70 2HD2 LEU 70 -2.952 -6.263 -9.776 526 3HD2 LEU 70 3HD2 LEU 70 -1.542 -5.350 -10.313 527 H PHE 71 H PHE 71 1.415 -2.990 -9.439 528 HA PHE 71 HA PHE 71 1.964 -5.172 -11.175 529 1HB PHE 71 2HB PHE 71 2.420 -2.382 -11.161 530 2HB PHE 71 1HB PHE 71 3.995 -3.147 -11.347 531 HD1 PHE 71 1HD PHE 71 4.689 -3.849 -13.435 532 HD2 PHE 71 2HD PHE 71 0.541 -3.217 -12.728 533 HE1 PHE 71 1HE PHE 71 4.232 -4.212 -15.825 534 HE2 PHE 71 2HE PHE 71 0.075 -3.581 -15.116 535 HZ PHE 71 HZ PHE 71 1.922 -4.080 -16.668 536 H ILE 72 H ILE 72 3.982 -3.500 -8.758 537 HA ILE 72 HA ILE 72 6.266 -5.050 -9.020 538 HB ILE 72 HB ILE 72 6.906 -4.333 -6.793 539 1HG1 ILE 72 2HG1 ILE 72 5.115 -2.773 -5.650 540 2HG1 ILE 72 1HG1 ILE 72 3.978 -3.775 -6.544 541 1HG2 ILE 72 1HG2 ILE 72 6.125 -1.790 -7.170 542 2HG2 ILE 72 2HG2 ILE 72 5.761 -2.460 -8.761 543 3HG2 ILE 72 3HG2 ILE 72 7.397 -2.569 -8.111 544 1HD1 ILE 72 1HD1 ILE 72 5.282 -4.315 -4.085 545 2HD1 ILE 72 2HD1 ILE 72 5.813 -5.505 -5.274 546 3HD1 ILE 72 3HD1 ILE 72 4.093 -5.293 -4.945 547 H HIS 73 H HIS 73 3.311 -5.716 -7.246 548 HA HIS 73 HA HIS 73 4.095 -7.725 -5.544 549 1HB HIS 73 2HB HIS 73 1.663 -6.712 -6.461 550 2HB HIS 73 1HB HIS 73 1.600 -8.426 -6.856 551 HD1 HIS 73 1HD HIS 73 0.491 -6.345 -4.326 552 HD2 HIS 73 2HD HIS 73 2.686 -9.874 -4.289 553 HE1 HIS 73 1HE HIS 73 0.190 -7.301 -2.019 554 HE2 HIS 73 2HE HIS 73 1.453 -9.480 -2.049 555 H ASP 74 H ASP 74 3.044 -8.175 -8.939 556 HA ASP 74 HA ASP 74 3.731 -10.954 -8.884 557 1HB ASP 74 2HB ASP 74 2.108 -9.505 -10.495 558 2HB ASP 74 1HB ASP 74 3.545 -9.584 -11.509 559 H THR 75 H THR 75 5.335 -8.011 -9.933 560 HA THR 75 HA THR 75 7.501 -9.309 -11.210 561 HB THR 75 HB THR 75 8.551 -7.220 -11.305 562 HG1 THR 75 1HG THR 75 7.300 -6.752 -8.835 563 1HG2 THR 75 1HG2 THR 75 6.156 -5.716 -10.883 564 2HG2 THR 75 2HG2 THR 75 5.790 -7.210 -11.745 565 3HG2 THR 75 3HG2 THR 75 6.995 -6.093 -12.388 566 H GLU 76 H GLU 76 6.535 -8.982 -7.981 567 HA GLU 76 HA GLU 76 8.672 -10.598 -7.089 568 1HB GLU 76 2HB GLU 76 9.139 -7.842 -6.949 569 2HB GLU 76 1HB GLU 76 8.697 -8.311 -5.313 570 1HG GLU 76 2HG GLU 76 11.126 -8.367 -5.740 571 2HG GLU 76 1HG GLU 76 10.465 -9.918 -5.226 572 H PHE 77 H PHE 77 6.757 -11.815 -6.794 573 HA PHE 77 HA PHE 77 4.691 -11.126 -5.043 574 1HB PHE 77 2HB PHE 77 5.518 -13.441 -6.499 575 2HB PHE 77 1HB PHE 77 5.168 -13.931 -4.844 576 HD1 PHE 77 1HD PHE 77 2.916 -13.112 -3.862 577 HD2 PHE 77 2HD PHE 77 3.800 -13.226 -8.023 578 HE1 PHE 77 1HE PHE 77 0.508 -13.104 -4.369 579 HE2 PHE 77 2HE PHE 77 1.393 -13.215 -8.539 580 HZ PHE 77 HZ PHE 77 -0.256 -13.154 -6.710 581 H ILE 78 H ILE 78 5.354 -10.218 -3.166 582 HA ILE 78 HA ILE 78 7.043 -11.856 -1.396 583 HB ILE 78 HB ILE 78 7.674 -9.836 -0.232 584 1HG1 ILE 78 2HG1 ILE 78 6.617 -7.869 -2.078 585 2HG1 ILE 78 1HG1 ILE 78 5.310 -8.779 -1.328 586 1HG2 ILE 78 1HG2 ILE 78 8.046 -10.086 -3.152 587 2HG2 ILE 78 2HG2 ILE 78 9.232 -10.100 -1.852 588 3HG2 ILE 78 3HG2 ILE 78 8.558 -8.570 -2.414 589 1HD1 ILE 78 1HD1 ILE 78 7.000 -6.721 -0.224 590 2HD1 ILE 78 2HD1 ILE 78 7.017 -8.179 0.769 591 3HD1 ILE 78 3HD1 ILE 78 5.487 -7.389 0.387 592 H LEU 79 H LEU 79 6.423 -12.239 0.708 593 HA LEU 79 HA LEU 79 3.597 -12.218 1.190 594 1HB LEU 79 2HB LEU 79 5.489 -13.931 1.893 595 2HB LEU 79 1HB LEU 79 5.550 -12.924 3.325 596 HG LEU 79 HG LEU 79 4.110 -14.736 3.825 597 1HD1 LEU 79 1HD1 LEU 79 3.300 -12.655 4.690 598 2HD1 LEU 79 2HD1 LEU 79 1.923 -13.620 4.160 599 3HD1 LEU 79 3HD1 LEU 79 2.497 -12.283 3.164 600 1HD2 LEU 79 1HD2 LEU 79 2.595 -14.089 1.299 601 2HD2 LEU 79 2HD2 LEU 79 2.190 -15.350 2.464 602 3HD2 LEU 79 3HD2 LEU 79 3.679 -15.462 1.526 603 H PHE 80 H PHE 80 6.201 -11.147 3.386 604 HA PHE 80 HA PHE 80 4.515 -8.831 4.082 605 1HB PHE 80 2HB PHE 80 5.582 -9.047 6.392 606 2HB PHE 80 1HB PHE 80 4.377 -10.257 5.962 607 HD1 PHE 80 1HD PHE 80 4.937 -12.549 5.831 608 HD2 PHE 80 2HD PHE 80 7.994 -9.629 6.325 609 HE1 PHE 80 1HE PHE 80 6.555 -14.333 6.328 610 HE2 PHE 80 2HE PHE 80 9.619 -11.409 6.822 611 HZ PHE 80 HZ PHE 80 8.900 -13.765 6.824 612 H SER 81 H SER 81 5.519 -6.873 4.371 613 HA SER 81 HA SER 81 8.408 -6.692 4.375 614 1HB SER 81 2HB SER 81 6.738 -5.973 2.001 615 2HB SER 81 1HB SER 81 8.144 -4.977 2.380 616 HG SER 81 HG SER 81 9.096 -6.490 1.233 617 H LYS 82 H LYS 82 9.175 -4.486 4.706 618 HA LYS 82 HA LYS 82 7.393 -3.027 6.453 619 1HB LYS 82 2HB LYS 82 9.897 -3.441 6.838 620 2HB LYS 82 1HB LYS 82 10.169 -2.183 5.640 621 1HG LYS 82 2HG LYS 82 9.692 -0.548 7.082 622 2HG LYS 82 1HG LYS 82 8.289 -1.402 7.726 623 1HD LYS 82 2HD LYS 82 9.450 -2.253 9.454 624 2HD LYS 82 1HD LYS 82 10.866 -2.593 8.458 625 1HE LYS 82 2HE LYS 82 10.331 0.258 8.941 626 2HE LYS 82 1HE LYS 82 10.756 -0.677 10.375 627 1HZ LYS 82 1HZ LYS 82 12.848 -1.033 9.635 628 2HZ LYS 82 2HZ LYS 82 12.565 0.409 8.798 629 3HZ LYS 82 3HZ LYS 82 12.404 -1.075 8.004 630 H PHE 83 H PHE 83 6.790 -0.828 6.186 631 HA PHE 83 HA PHE 83 6.921 0.102 3.387 632 1HB PHE 83 2HB PHE 83 4.700 0.720 5.331 633 2HB PHE 83 1HB PHE 83 4.724 1.006 3.594 634 HD1 PHE 83 1HD PHE 83 3.693 -1.181 6.160 635 HD2 PHE 83 2HD PHE 83 4.956 -1.103 2.097 636 HE1 PHE 83 1HE PHE 83 2.628 -3.368 5.791 637 HE2 PHE 83 2HE PHE 83 3.893 -3.289 1.721 638 HZ PHE 83 HZ PHE 83 2.727 -4.425 3.569 639 H LYS 84 H LYS 84 7.938 1.867 3.046 640 HA LYS 84 HA LYS 84 7.968 3.980 5.076 641 1HB LYS 84 2HB LYS 84 10.184 3.798 5.361 642 2HB LYS 84 1HB LYS 84 10.220 2.430 4.262 643 1HG LYS 84 2HG LYS 84 10.675 3.827 2.402 644 2HG LYS 84 1HG LYS 84 10.348 5.288 3.336 645 1HD LYS 84 2HD LYS 84 12.518 3.388 4.157 646 2HD LYS 84 1HD LYS 84 12.806 4.609 2.917 647 1HE LYS 84 2HE LYS 84 11.927 5.086 5.761 648 2HE LYS 84 1HE LYS 84 13.502 5.463 5.064 649 1HZ LYS 84 1HZ LYS 84 10.968 6.874 4.800 650 2HZ LYS 84 2HZ LYS 84 11.946 6.823 3.421 651 3HZ LYS 84 3HZ LYS 84 12.545 7.483 4.858 652 H VAL 85 H VAL 85 6.977 5.672 4.184 653 HA VAL 85 HA VAL 85 7.196 6.000 1.274 654 HB VAL 85 HB VAL 85 4.987 6.027 1.269 655 1HG1 VAL 85 1HG1 VAL 85 3.649 6.280 3.423 656 2HG1 VAL 85 2HG1 VAL 85 5.201 6.248 4.249 657 3HG1 VAL 85 3HG1 VAL 85 4.693 4.867 3.273 658 1HG2 VAL 85 1HG2 VAL 85 4.694 8.230 0.959 659 2HG2 VAL 85 2HG2 VAL 85 5.613 8.673 2.393 660 3HG2 VAL 85 3HG2 VAL 85 3.945 8.141 2.553 661 H LYS 86 H LYS 86 7.440 7.990 0.360 662 HA LYS 86 HA LYS 86 8.404 10.151 2.109 663 1HB LYS 86 2HB LYS 86 10.073 8.586 0.672 664 2HB LYS 86 1HB LYS 86 9.657 9.764 -0.560 665 1HG LYS 86 2HG LYS 86 10.839 11.413 0.420 666 2HG LYS 86 1HG LYS 86 10.410 10.894 2.051 667 1HD LYS 86 2HD LYS 86 11.977 8.842 1.346 668 2HD LYS 86 1HD LYS 86 12.693 10.103 0.340 669 1HE LYS 86 2HE LYS 86 12.143 10.709 3.201 670 2HE LYS 86 1HE LYS 86 13.515 9.671 2.813 671 1HZ LYS 86 1HZ LYS 86 14.601 11.356 1.732 672 2HZ LYS 86 2HZ LYS 86 13.814 12.232 2.946 673 3HZ LYS 86 3HZ LYS 86 13.186 12.213 1.376 674 H ILE 87 H ILE 87 7.155 11.954 1.734 675 HA ILE 87 HA ILE 87 6.202 12.351 -1.031 676 HB ILE 87 HB ILE 87 4.239 11.797 0.141 677 1HG1 ILE 87 2HG1 ILE 87 4.536 14.793 -0.100 678 2HG1 ILE 87 1HG1 ILE 87 3.767 13.682 -1.225 679 1HG2 ILE 87 1HG2 ILE 87 4.946 13.755 2.302 680 2HG2 ILE 87 2HG2 ILE 87 5.279 12.025 2.382 681 3HG2 ILE 87 3HG2 ILE 87 3.614 12.598 2.282 682 1HD1 ILE 87 1HD1 ILE 87 1.929 13.354 0.292 683 2HD1 ILE 87 2HD1 ILE 87 2.172 15.078 0.030 684 3HD1 ILE 87 3HD1 ILE 87 2.727 14.328 1.524 685 H ASP 88 H ASP 88 6.362 14.384 -1.886 686 HA ASP 88 HA ASP 88 7.517 16.466 -0.167 687 1HB ASP 88 2HB ASP 88 8.773 15.019 -2.280 688 2HB ASP 88 1HB ASP 88 8.582 16.692 -2.797 689 H GLU 89 H GLU 89 6.365 18.294 -0.272 690 HA GLU 89 HA GLU 89 4.423 18.684 -2.401 691 1HB GLU 89 2HB GLU 89 4.953 19.843 0.263 692 2HB GLU 89 1HB GLU 89 4.366 20.989 -0.934 693 1HG GLU 89 2HG GLU 89 2.364 19.796 -1.248 694 2HG GLU 89 1HG GLU 89 2.985 18.381 -0.401 695 H LYS 90 H LYS 90 5.039 19.473 -4.246 696 HA LYS 90 HA LYS 90 7.391 21.174 -4.373 697 1HB LYS 90 2HB LYS 90 5.760 19.914 -6.587 698 2HB LYS 90 1HB LYS 90 7.202 20.882 -6.832 699 1HG LYS 90 2HG LYS 90 6.951 18.146 -5.671 700 2HG LYS 90 1HG LYS 90 8.012 18.728 -6.956 701 1HD LYS 90 2HD LYS 90 8.825 20.266 -4.873 702 2HD LYS 90 1HD LYS 90 8.367 18.771 -4.036 703 1HE LYS 90 2HE LYS 90 10.536 18.266 -4.542 704 2HE LYS 90 1HE LYS 90 9.757 17.677 -6.010 705 1HZ LYS 90 1HZ LYS 90 10.413 19.575 -7.191 706 2HZ LYS 90 2HZ LYS 90 11.784 19.126 -6.307 707 3HZ LYS 90 3HZ LYS 90 10.832 20.426 -5.789 708 H ASP 91 H ASP 91 6.931 22.673 -6.572 709 HA ASP 91 HA ASP 91 5.666 24.852 -5.479 710 1HB ASP 91 2HB ASP 91 7.188 24.349 -7.739 711 2HB ASP 91 1HB ASP 91 5.663 24.951 -8.380 712 H ASP 92 H ASP 92 4.022 22.178 -6.234 713 HA ASP 92 HA ASP 92 1.493 23.251 -6.117 714 1HB ASP 92 2HB ASP 92 0.775 22.867 -8.556 715 2HB ASP 92 1HB ASP 92 1.665 24.345 -8.201 716 H GLY 93 H GLY 93 3.513 20.792 -7.587 717 1HA GLY 93 2HA GLY 93 1.446 18.769 -6.987 718 2HA GLY 93 1HA GLY 93 2.723 18.577 -8.183 719 H LEU 94 H LEU 94 2.388 16.583 -6.337 720 HA LEU 94 HA LEU 94 4.820 16.927 -4.755 721 1HB LEU 94 2HB LEU 94 3.697 15.586 -2.913 722 2HB LEU 94 1HB LEU 94 3.227 17.265 -3.089 723 HG LEU 94 HG LEU 94 1.623 15.006 -4.270 724 1HD1 LEU 94 1HD1 LEU 94 1.538 16.221 -1.530 725 2HD1 LEU 94 2HD1 LEU 94 1.571 14.517 -1.983 726 3HD1 LEU 94 3HD1 LEU 94 0.117 15.475 -2.261 727 1HD2 LEU 94 1HD2 LEU 94 0.711 16.802 -5.277 728 2HD2 LEU 94 2HD2 LEU 94 1.381 17.933 -4.101 729 3HD2 LEU 94 3HD2 LEU 94 -0.086 17.031 -3.721 730 H HIS 95 H HIS 95 6.170 15.234 -4.683 731 HA HIS 95 HA HIS 95 5.356 12.825 -6.152 732 1HB HIS 95 2HB HIS 95 7.698 12.454 -6.626 733 2HB HIS 95 1HB HIS 95 7.286 14.110 -7.061 734 HD1 HIS 95 1HD HIS 95 8.598 15.948 -5.956 735 HD2 HIS 95 2HD HIS 95 9.244 12.239 -4.200 736 HE1 HIS 95 1HE HIS 95 10.499 16.289 -4.346 737 HE2 HIS 95 2HE HIS 95 10.804 14.055 -3.222 738 H LEU 96 H LEU 96 5.669 10.787 -5.301 739 HA LEU 96 HA LEU 96 6.333 10.738 -2.441 740 1HB LEU 96 2HB LEU 96 3.975 10.223 -2.999 741 2HB LEU 96 1HB LEU 96 4.524 8.847 -3.936 742 HG LEU 96 HG LEU 96 5.169 9.108 -1.011 743 1HD1 LEU 96 1HD1 LEU 96 2.705 7.880 -2.238 744 2HD1 LEU 96 2HD1 LEU 96 2.763 9.288 -1.178 745 3HD1 LEU 96 3HD1 LEU 96 3.208 7.699 -0.557 746 1HD2 LEU 96 1HD2 LEU 96 4.784 6.458 -1.712 747 2HD2 LEU 96 2HD2 LEU 96 6.332 7.274 -1.506 748 3HD2 LEU 96 3HD2 LEU 96 5.607 7.152 -3.108 749 H THR 97 H THR 97 7.723 9.199 -1.653 750 HA THR 97 HA THR 97 8.927 7.356 -3.606 751 HB THR 97 HB THR 97 10.658 8.282 -1.395 752 HG1 THR 97 1HG THR 97 9.901 9.985 -3.528 753 1HG2 THR 97 1HG2 THR 97 10.955 7.433 -4.200 754 2HG2 THR 97 2HG2 THR 97 11.945 7.069 -2.786 755 3HG2 THR 97 3HG2 THR 97 12.111 8.623 -3.604 756 H GLY 98 H GLY 98 8.593 5.346 -3.009 757 1HA GLY 98 2HA GLY 98 8.216 4.762 -0.146 758 2HA GLY 98 1HA GLY 98 7.349 3.930 -1.422 759 H THR 99 H THR 99 9.040 2.895 0.749 760 HA THR 99 HA THR 99 10.970 1.410 -0.906 761 HB THR 99 HB THR 99 11.399 2.033 2.007 762 HG1 THR 99 1HG THR 99 12.865 3.662 1.180 763 1HG2 THR 99 1HG2 THR 99 13.501 1.494 -0.055 764 2HG2 THR 99 2HG2 THR 99 12.695 0.185 0.810 765 3HG2 THR 99 3HG2 THR 99 13.614 1.397 1.702 766 H ALA 100 H ALA 100 11.118 -0.794 -0.555 767 HA ALA 100 HA ALA 100 9.394 -1.931 1.540 768 1HB ALA 100 1HB ALA 100 8.818 -3.749 -0.158 769 2HB ALA 100 2HB ALA 100 9.405 -2.623 -1.381 770 3HB ALA 100 3HB ALA 100 8.040 -2.179 -0.358 771 H MET 101 H MET 101 10.286 -3.529 2.677 772 HA MET 101 HA MET 101 12.678 -4.895 1.619 773 1HB MET 101 2HB MET 101 12.394 -4.057 4.511 774 2HB MET 101 1HB MET 101 13.824 -4.682 3.703 775 1HG MET 101 2HG MET 101 13.651 -2.569 2.244 776 2HG MET 101 1HG MET 101 12.593 -1.968 3.519 777 1HE MET 101 1HE MET 101 13.313 -0.368 4.553 778 2HE MET 101 2HE MET 101 14.980 0.203 4.466 779 3HE MET 101 3HE MET 101 14.382 -0.549 5.944 780 H GLY 102 H GLY 102 13.082 -6.984 2.555 781 1HA GLY 102 2HA GLY 102 12.452 -8.978 3.618 782 2HA GLY 102 1HA GLY 102 10.997 -8.173 4.200 783 H GLU 103 H GLU 103 12.368 -8.679 0.990 784 HA GLU 103 HA GLU 103 9.751 -9.452 0.017 785 1HB GLU 103 2HB GLU 103 10.402 -8.337 -1.800 786 2HB GLU 103 1HB GLU 103 11.920 -7.980 -0.994 787 1HG GLU 103 2HG GLU 103 12.930 -9.961 -1.958 788 2HG GLU 103 1HG GLU 103 11.393 -10.417 -2.693 789 H GLU 104 H GLU 104 9.164 -11.491 -0.020 790 HA GLU 104 HA GLU 104 10.411 -13.559 -1.330 791 1HB GLU 104 2HB GLU 104 11.770 -13.038 1.081 792 2HB GLU 104 1HB GLU 104 10.833 -14.498 1.369 793 1HG GLU 104 2HG GLU 104 12.094 -14.675 -1.188 794 2HG GLU 104 1HG GLU 104 13.291 -14.243 0.032 795 H ILE 105 H ILE 105 8.620 -14.644 -1.847 796 HA ILE 105 HA ILE 105 6.413 -14.806 0.037 797 HB ILE 105 HB ILE 105 6.694 -15.032 -2.868 798 1HG1 ILE 105 2HG1 ILE 105 5.429 -13.279 -1.654 799 2HG1 ILE 105 1HG1 ILE 105 4.437 -14.141 -2.824 800 1HG2 ILE 105 1HG2 ILE 105 4.917 -17.000 -1.431 801 2HG2 ILE 105 2HG2 ILE 105 6.206 -17.355 -2.581 802 3HG2 ILE 105 3HG2 ILE 105 4.732 -16.560 -3.130 803 1HD1 ILE 105 1HD1 ILE 105 4.058 -13.809 -0.008 804 2HD1 ILE 105 2HD1 ILE 105 4.144 -15.525 -0.413 805 3HD1 ILE 105 3HD1 ILE 105 2.964 -14.487 -1.215 806 H LYS 106 H LYS 106 5.691 -16.613 1.035 807 HA LYS 106 HA LYS 106 7.211 -19.098 0.590 808 1HB LYS 106 2HB LYS 106 7.278 -17.602 2.883 809 2HB LYS 106 1HB LYS 106 6.008 -18.760 3.249 810 1HG LYS 106 2HG LYS 106 8.207 -20.142 2.071 811 2HG LYS 106 1HG LYS 106 8.796 -19.126 3.387 812 1HD LYS 106 2HD LYS 106 6.338 -20.546 4.054 813 2HD LYS 106 1HD LYS 106 7.672 -21.628 3.651 814 1HE LYS 106 2HE LYS 106 9.062 -20.651 5.332 815 2HE LYS 106 1HE LYS 106 7.894 -19.363 5.624 816 1HZ LYS 106 1HZ LYS 106 7.755 -22.199 6.402 817 2HZ LYS 106 2HZ LYS 106 6.330 -21.307 6.217 818 3HZ LYS 106 3HZ LYS 106 7.492 -20.819 7.346 819 H GLU 107 H GLU 107 5.813 -20.873 2.048 820 HA GLU 107 HA GLU 107 3.296 -21.006 0.579 821 1HB GLU 107 2HB GLU 107 5.129 -22.890 0.858 822 2HB GLU 107 1HB GLU 107 4.247 -23.218 2.343 823 1HG GLU 107 2HG GLU 107 2.370 -23.923 1.241 824 2HG GLU 107 1HG GLU 107 2.724 -22.968 -0.199 825 H GLY 108 H GLY 108 1.535 -20.227 1.509 826 1HA GLY 108 2HA GLY 108 0.023 -19.576 3.117 827 2HA GLY 108 1HA GLY 108 0.334 -21.171 3.779 828 H HIS 109 H HIS 109 2.520 -18.383 3.583 829 HA HIS 109 HA HIS 109 3.136 -18.678 6.394 830 1HB HIS 109 2HB HIS 109 4.820 -18.154 4.548 831 2HB HIS 109 1HB HIS 109 4.165 -16.522 4.557 832 HD1 HIS 109 1HD HIS 109 3.881 -16.976 7.889 833 HD2 HIS 109 2HD HIS 109 7.249 -16.880 5.457 834 HE1 HIS 109 1HE HIS 109 5.793 -16.386 9.411 835 HE2 HIS 109 2HE HIS 109 7.808 -16.257 7.904 836 H GLU 110 H GLU 110 1.787 -17.839 7.844 837 HA GLU 110 HA GLU 110 0.405 -16.401 8.940 838 1HB GLU 110 2HB GLU 110 2.305 -14.617 7.500 839 2HB GLU 110 1HB GLU 110 0.892 -13.878 8.241 840 1HG GLU 110 2HG GLU 110 2.595 -15.736 9.834 841 2HG GLU 110 1HG GLU 110 3.119 -14.074 9.565 842 H ARG 111 H ARG 111 -1.454 -17.242 7.860 843 HA ARG 111 HA ARG 111 -2.511 -15.519 5.721 844 1HB ARG 111 2HB ARG 111 -3.349 -18.318 6.494 845 2HB ARG 111 1HB ARG 111 -3.999 -17.381 5.155 846 1HG ARG 111 2HG ARG 111 -1.121 -17.572 5.007 847 2HG ARG 111 1HG ARG 111 -1.875 -19.164 5.075 848 1HD ARG 111 2HD ARG 111 -2.658 -18.983 2.994 849 2HD ARG 111 1HD ARG 111 -3.283 -17.361 3.289 850 HE ARG 111 HE ARG 111 -0.777 -18.064 2.059 851 1HH1 ARG 111 1HH1 ARG 111 -2.557 -15.573 3.736 852 2HH1 ARG 111 2HH1 ARG 111 -1.592 -14.283 3.102 853 1HH2 ARG 111 1HH2 ARG 111 0.492 -16.367 1.222 854 2HH2 ARG 111 2HH2 ARG 111 0.138 -14.733 1.674 855 H ARG 112 H ARG 112 -3.630 -13.922 6.685 856 HA ARG 112 HA ARG 112 -5.369 -14.523 8.949 857 1HB ARG 112 2HB ARG 112 -4.113 -12.105 7.829 858 2HB ARG 112 1HB ARG 112 -5.744 -11.869 8.441 859 1HG ARG 112 2HG ARG 112 -5.145 -12.306 10.607 860 2HG ARG 112 1HG ARG 112 -3.774 -13.314 10.140 861 1HD ARG 112 2HD ARG 112 -2.385 -11.521 9.828 862 2HD ARG 112 1HD ARG 112 -3.708 -10.429 9.426 863 HE ARG 112 HE ARG 112 -2.643 -10.982 12.041 864 1HH1 ARG 112 1HH1 ARG 112 -5.422 -9.848 10.259 865 2HH1 ARG 112 2HH1 ARG 112 -6.060 -8.940 11.588 866 1HH2 ARG 112 1HH2 ARG 112 -3.481 -9.789 13.790 867 2HH2 ARG 112 2HH2 ARG 112 -4.958 -8.906 13.593 868 H ASP 113 H ASP 113 -5.657 -12.807 5.840 869 HA ASP 113 HA ASP 113 -8.434 -13.773 5.659 870 1HB ASP 113 2HB ASP 113 -8.172 -11.287 6.171 871 2HB ASP 113 1HB ASP 113 -7.492 -11.128 4.555 872 H GLU 114 H GLU 114 -9.246 -13.971 3.433 873 HA GLU 114 HA GLU 114 -7.051 -14.671 1.601 874 1HB GLU 114 2HB GLU 114 -8.516 -16.535 2.359 875 2HB GLU 114 1HB GLU 114 -9.880 -15.729 1.598 876 1HG GLU 114 2HG GLU 114 -9.230 -17.321 0.042 877 2HG GLU 114 1HG GLU 114 -8.500 -15.830 -0.552 878 H VAL 115 H VAL 115 -6.732 -12.982 0.297 879 HA VAL 115 HA VAL 115 -9.068 -11.784 -1.053 880 HB VAL 115 HB VAL 115 -6.306 -10.586 -0.763 881 1HG1 VAL 115 1HG1 VAL 115 -8.253 -8.622 -1.257 882 2HG1 VAL 115 2HG1 VAL 115 -8.575 -9.932 -2.393 883 3HG1 VAL 115 3HG1 VAL 115 -6.981 -9.179 -2.344 884 1HG2 VAL 115 1HG2 VAL 115 -8.779 -10.308 0.899 885 2HG2 VAL 115 2HG2 VAL 115 -7.641 -8.968 0.761 886 3HG2 VAL 115 3HG2 VAL 115 -7.105 -10.518 1.412 887 H LYS 116 H LYS 116 -9.325 -12.743 -2.989 888 HA LYS 116 HA LYS 116 -6.953 -13.600 -4.471 889 1HB LYS 116 2HB LYS 116 -8.392 -15.005 -5.755 890 2HB LYS 116 1HB LYS 116 -8.836 -15.204 -4.066 891 1HG LYS 116 2HG LYS 116 -10.931 -14.680 -4.537 892 2HG LYS 116 1HG LYS 116 -10.417 -13.111 -5.160 893 1HD LYS 116 2HD LYS 116 -9.737 -14.773 -7.212 894 2HD LYS 116 1HD LYS 116 -11.194 -15.551 -6.592 895 1HE LYS 116 2HE LYS 116 -12.483 -13.997 -7.521 896 2HE LYS 116 1HE LYS 116 -11.577 -12.708 -6.730 897 1HZ LYS 116 1HZ LYS 116 -10.869 -14.012 -9.303 898 2HZ LYS 116 2HZ LYS 116 -9.956 -12.813 -8.537 899 3HZ LYS 116 3HZ LYS 116 -11.505 -12.456 -9.117 900 H ALA 117 H ALA 117 -8.020 -10.756 -4.257 901 HA ALA 117 HA ALA 117 -7.409 -9.962 -6.878 902 1HB ALA 117 1HB ALA 117 -9.661 -9.103 -7.558 903 2HB ALA 117 2HB ALA 117 -10.350 -10.066 -6.251 904 3HB ALA 117 3HB ALA 117 -9.497 -10.859 -7.575 905 H VAL 118 H VAL 118 -6.558 -8.030 -6.645 906 HA VAL 118 HA VAL 118 -7.490 -6.280 -4.468 907 HB VAL 118 HB VAL 118 -5.145 -6.653 -4.302 908 1HG1 VAL 118 1HG1 VAL 118 -5.005 -6.018 -7.243 909 2HG1 VAL 118 2HG1 VAL 118 -4.653 -7.557 -6.459 910 3HG1 VAL 118 3HG1 VAL 118 -3.597 -6.170 -6.194 911 1HG2 VAL 118 1HG2 VAL 118 -6.168 -4.165 -4.470 912 2HG2 VAL 118 2HG2 VAL 118 -4.916 -4.072 -5.707 913 3HG2 VAL 118 3HG2 VAL 118 -4.490 -4.509 -4.053 914 H THR 119 H THR 119 -9.041 -4.955 -5.144 915 HA THR 119 HA THR 119 -8.761 -3.716 -7.798 916 HB THR 119 HB THR 119 -10.766 -5.217 -7.357 917 HG1 THR 119 1HG THR 119 -11.383 -2.527 -7.994 918 1HG2 THR 119 1HG2 THR 119 -12.660 -4.273 -6.192 919 2HG2 THR 119 2HG2 THR 119 -11.694 -2.877 -5.710 920 3HG2 THR 119 3HG2 THR 119 -11.300 -4.480 -5.089 921 H PHE 120 H PHE 120 -8.471 -1.589 -7.899 922 HA PHE 120 HA PHE 120 -8.238 -0.015 -5.533 923 1HB PHE 120 2HB PHE 120 -8.145 1.895 -7.336 924 2HB PHE 120 1HB PHE 120 -6.815 0.753 -7.198 925 HD1 PHE 120 1HD PHE 120 -5.947 0.842 -9.366 926 HD2 PHE 120 2HD PHE 120 -10.101 0.109 -8.795 927 HE1 PHE 120 1HE PHE 120 -6.175 0.283 -11.751 928 HE2 PHE 120 2HE PHE 120 -10.334 -0.450 -11.177 929 HZ PHE 120 HZ PHE 120 -8.371 -0.364 -12.659 930 H HIS 121 H HIS 121 -10.530 -0.695 -4.893 931 HA HIS 121 HA HIS 121 -12.769 0.306 -6.193 932 1HB HIS 121 2HB HIS 121 -12.762 -1.414 -4.385 933 2HB HIS 121 1HB HIS 121 -12.527 -0.110 -3.224 934 HD1 HIS 121 1HD HIS 121 -14.679 1.380 -5.534 935 HD2 HIS 121 2HD HIS 121 -15.212 -1.572 -2.659 936 HE1 HIS 121 1HE HIS 121 -17.148 1.338 -5.063 937 HE2 HIS 121 2HE HIS 121 -17.456 -0.508 -3.376 938 H MET 122 H MET 122 -10.838 1.791 -3.589 939 HA MET 122 HA MET 122 -12.214 4.320 -4.205 940 1HB MET 122 2HB MET 122 -11.687 3.001 -1.609 941 2HB MET 122 1HB MET 122 -11.394 4.735 -1.664 942 1HG MET 122 2HG MET 122 -13.565 5.211 -1.675 943 2HG MET 122 1HG MET 122 -13.916 3.991 -2.897 944 1HE MET 122 1HE MET 122 -16.446 2.798 -1.323 945 2HE MET 122 2HE MET 122 -15.975 4.492 -1.454 946 3HE MET 122 3HE MET 122 -16.311 3.790 0.129 947 H MET 123 H MET 123 -9.338 3.221 -2.397 948 HA MET 123 HA MET 123 -7.241 4.125 -2.245 949 1HB MET 123 2HB MET 123 -7.469 4.463 -5.231 950 2HB MET 123 1HB MET 123 -6.030 4.107 -4.286 951 1HG MET 123 2HG MET 123 -7.785 2.027 -3.718 952 2HG MET 123 1HG MET 123 -7.963 2.315 -5.447 953 1HE MET 123 1HE MET 123 -5.784 3.122 -6.687 954 2HE MET 123 2HE MET 123 -4.443 1.986 -6.823 955 3HE MET 123 3HE MET 123 -4.364 3.308 -5.657 956 H GLU 124 H GLU 124 -9.249 6.009 -1.763 957 HA GLU 124 HA GLU 124 -8.106 8.448 -2.965 958 1HB GLU 124 2HB GLU 124 -10.882 7.638 -2.360 959 2HB GLU 124 1HB GLU 124 -10.472 9.294 -1.933 960 1HG GLU 124 2HG GLU 124 -10.054 9.896 -4.128 961 2HG GLU 124 1HG GLU 124 -9.814 8.228 -4.645 962 H ILE 125 H ILE 125 -7.529 10.140 -1.631 963 HA ILE 125 HA ILE 125 -7.486 9.481 1.232 964 HB ILE 125 HB ILE 125 -5.598 11.264 -0.304 965 1HG1 ILE 125 2HG1 ILE 125 -5.192 8.527 0.918 966 2HG1 ILE 125 1HG1 ILE 125 -5.306 8.877 -0.804 967 1HG2 ILE 125 1HG2 ILE 125 -4.278 11.177 1.835 968 2HG2 ILE 125 2HG2 ILE 125 -5.708 10.488 2.603 969 3HG2 ILE 125 3HG2 ILE 125 -5.774 12.108 1.911 970 1HD1 ILE 125 1HD1 ILE 125 -3.245 10.354 0.701 971 2HD1 ILE 125 2HD1 ILE 125 -3.198 9.657 -0.919 972 3HD1 ILE 125 3HD1 ILE 125 -2.991 8.621 0.493 973 H LEU 126 H LEU 126 -8.936 10.555 2.355 974 HA LEU 126 HA LEU 126 -9.629 13.302 1.552 975 1HB LEU 126 2HB LEU 126 -11.180 11.723 3.569 976 2HB LEU 126 1HB LEU 126 -11.726 13.024 2.529 977 HG LEU 126 HG LEU 126 -11.131 11.179 0.657 978 1HD1 LEU 126 1HD1 LEU 126 -12.341 9.091 1.804 979 2HD1 LEU 126 2HD1 LEU 126 -11.489 9.731 3.209 980 3HD1 LEU 126 3HD1 LEU 126 -10.588 9.281 1.761 981 1HD2 LEU 126 1HD2 LEU 126 -13.215 12.244 0.620 982 2HD2 LEU 126 2HD2 LEU 126 -13.653 11.640 2.218 983 3HD2 LEU 126 3HD2 LEU 126 -13.599 10.538 0.842 984 H ASP 127 H ASP 127 -9.267 14.994 2.942 985 HA ASP 127 HA ASP 127 -7.896 14.290 5.443 986 1HB ASP 127 2HB ASP 127 -6.622 15.612 3.741 987 2HB ASP 127 1HB ASP 127 -7.779 16.920 3.962 988 H GLU 128 H GLU 128 -8.911 14.640 7.291 989 HA GLU 128 HA GLU 128 -10.954 16.758 7.424 990 1HB GLU 128 2HB GLU 128 -11.509 14.087 7.589 991 2HB GLU 128 1HB GLU 128 -11.286 14.499 9.283 992 1HG GLU 128 2HG GLU 128 -13.085 15.946 9.307 993 2HG GLU 128 1HG GLU 128 -13.054 16.175 7.559 994 H ASP 129 H ASP 129 -10.711 18.203 9.060 995 HA ASP 129 HA ASP 129 -9.795 19.264 10.876 996 1HB ASP 129 2HB ASP 129 -9.512 16.410 11.825 997 2HB ASP 129 1HB ASP 129 -9.315 17.830 12.847 998 H GLY 130 H GLY 130 -8.044 18.137 8.658 999 1HA GLY 130 2HA GLY 130 -5.780 18.622 8.232 1000 2HA GLY 130 1HA GLY 130 -5.501 18.714 9.969 1001 H LEU 131 H LEU 131 -7.324 16.049 9.499 1002 HA LEU 131 HA LEU 131 -5.034 14.261 9.701 1003 1HB LEU 131 2HB LEU 131 -6.904 14.108 11.316 1004 2HB LEU 131 1HB LEU 131 -7.996 13.748 9.999 1005 HG LEU 131 HG LEU 131 -7.313 11.784 11.373 1006 1HD1 LEU 131 1HD1 LEU 131 -7.710 10.489 9.613 1007 2HD1 LEU 131 2HD1 LEU 131 -6.276 11.052 8.758 1008 3HD1 LEU 131 3HD1 LEU 131 -7.770 11.986 8.683 1009 1HD2 LEU 131 1HD2 LEU 131 -4.681 11.893 9.953 1010 2HD2 LEU 131 2HD2 LEU 131 -5.166 10.915 11.341 1011 3HD2 LEU 131 3HD2 LEU 131 -4.902 12.651 11.530 1012 H ILE 132 H ILE 132 -4.560 12.719 8.197 1013 HA ILE 132 HA ILE 132 -6.001 12.915 5.640 1014 HB ILE 132 HB ILE 132 -3.879 11.250 5.130 1015 1HG1 ILE 132 2HG1 ILE 132 -3.081 12.072 7.510 1016 2HG1 ILE 132 1HG1 ILE 132 -1.939 11.911 6.185 1017 1HG2 ILE 132 1HG2 ILE 132 -2.848 13.567 4.309 1018 2HG2 ILE 132 2HG2 ILE 132 -4.501 14.092 4.631 1019 3HG2 ILE 132 3HG2 ILE 132 -4.199 12.772 3.501 1020 1HD1 ILE 132 1HD1 ILE 132 -3.259 14.499 6.956 1021 2HD1 ILE 132 2HD1 ILE 132 -1.950 14.265 5.796 1022 3HD1 ILE 132 3HD1 ILE 132 -1.668 13.981 7.514 1023 H LYS 133 H LYS 133 -7.355 11.318 5.073 1024 HA LYS 133 HA LYS 133 -6.914 8.702 6.350 1025 1HB LYS 133 2HB LYS 133 -9.577 9.646 5.308 1026 2HB LYS 133 1HB LYS 133 -9.247 8.319 6.412 1027 1HG LYS 133 2HG LYS 133 -8.807 9.775 8.200 1028 2HG LYS 133 1HG LYS 133 -8.677 11.175 7.133 1029 1HD LYS 133 2HD LYS 133 -11.034 11.098 6.661 1030 2HD LYS 133 1HD LYS 133 -11.205 9.586 7.557 1031 1HE LYS 133 2HE LYS 133 -10.142 11.088 9.486 1032 2HE LYS 133 1HE LYS 133 -10.910 12.365 8.547 1033 1HZ LYS 133 1HZ LYS 133 -12.552 10.031 9.069 1034 2HZ LYS 133 2HZ LYS 133 -12.956 11.673 9.118 1035 3HZ LYS 133 3HZ LYS 133 -12.159 10.958 10.429 1036 H ALA 134 H ALA 134 -6.803 6.940 5.077 1037 HA ALA 134 HA ALA 134 -7.190 7.298 2.171 1038 1HB ALA 134 1HB ALA 134 -5.243 5.402 3.477 1039 2HB ALA 134 2HB ALA 134 -4.814 7.009 2.892 1040 3HB ALA 134 3HB ALA 134 -5.382 5.783 1.761 1041 H ARG 135 H ARG 135 -8.322 5.702 1.049 1042 HA ARG 135 HA ARG 135 -9.267 3.397 2.610 1043 1HB ARG 135 2HB ARG 135 -11.504 3.909 1.233 1044 2HB ARG 135 1HB ARG 135 -11.210 4.532 2.856 1045 1HG ARG 135 2HG ARG 135 -11.160 6.646 2.147 1046 2HG ARG 135 1HG ARG 135 -10.127 6.252 0.766 1047 1HD ARG 135 2HD ARG 135 -11.882 6.523 -0.561 1048 2HD ARG 135 1HD ARG 135 -12.641 5.132 0.211 1049 HE ARG 135 HE ARG 135 -13.326 7.025 1.915 1050 1HH1 ARG 135 1HH1 ARG 135 -13.339 7.130 -1.580 1051 2HH1 ARG 135 2HH1 ARG 135 -14.651 8.254 -1.662 1052 1HH2 ARG 135 1HH2 ARG 135 -15.050 8.504 1.800 1053 2HH2 ARG 135 2HH2 ARG 135 -15.621 9.034 0.254 1054 H VAL 136 H VAL 136 -8.870 1.569 1.556 1055 HA VAL 136 HA VAL 136 -9.314 1.532 -1.350 1056 HB VAL 136 HB VAL 136 -7.025 0.152 0.063 1057 1HG1 VAL 136 1HG1 VAL 136 -8.346 -0.598 -2.289 1058 2HG1 VAL 136 2HG1 VAL 136 -6.788 -1.180 -1.705 1059 3HG1 VAL 136 3HG1 VAL 136 -6.858 0.190 -2.814 1060 1HG2 VAL 136 1HG2 VAL 136 -5.597 1.743 -0.740 1061 2HG2 VAL 136 2HG2 VAL 136 -7.037 2.733 -0.496 1062 3HG2 VAL 136 3HG2 VAL 136 -6.635 2.143 -2.109 1063 H ILE 137 H ILE 137 -10.973 0.191 -1.704 1064 HA ILE 137 HA ILE 137 -11.366 -2.133 -0.008 1065 HB ILE 137 HB ILE 137 -13.322 -1.382 -2.119 1066 1HG1 ILE 137 2HG1 ILE 137 -12.796 0.064 0.436 1067 2HG1 ILE 137 1HG1 ILE 137 -13.236 0.685 -1.135 1068 1HG2 ILE 137 1HG2 ILE 137 -13.259 -3.466 -0.496 1069 2HG2 ILE 137 2HG2 ILE 137 -14.770 -2.711 -0.995 1070 3HG2 ILE 137 3HG2 ILE 137 -14.073 -2.331 0.579 1071 1HD1 ILE 137 1HD1 ILE 137 -15.007 0.933 0.573 1072 2HD1 ILE 137 2HD1 ILE 137 -15.101 -0.827 0.667 1073 3HD1 ILE 137 3HD1 ILE 137 -15.515 0.001 -0.836 1074 H LEU 138 H LEU 138 -10.730 -3.955 -0.629 1075 HA LEU 138 HA LEU 138 -10.144 -4.446 -3.457 1076 1HB LEU 138 2HB LEU 138 -9.026 -5.793 -1.006 1077 2HB LEU 138 1HB LEU 138 -8.588 -6.172 -2.663 1078 HG LEU 138 HG LEU 138 -7.856 -3.809 -1.006 1079 1HD1 LEU 138 1HD1 LEU 138 -5.734 -4.188 -2.408 1080 2HD1 LEU 138 2HD1 LEU 138 -6.485 -5.718 -2.859 1081 3HD1 LEU 138 3HD1 LEU 138 -6.144 -5.369 -1.164 1082 1HD2 LEU 138 1HD2 LEU 138 -8.058 -3.749 -4.018 1083 2HD2 LEU 138 2HD2 LEU 138 -7.270 -2.529 -3.025 1084 3HD2 LEU 138 3HD2 LEU 138 -9.010 -2.782 -2.896 1085 H ASP 139 H ASP 139 -10.598 -6.491 -4.383 1086 HA ASP 139 HA ASP 139 -13.170 -7.449 -3.533 1087 1HB ASP 139 2HB ASP 139 -11.636 -7.450 -5.953 1088 2HB ASP 139 1HB ASP 139 -12.171 -9.093 -5.614 1089 H LEU 140 H LEU 140 -13.740 -9.391 -2.792 1090 HA LEU 140 HA LEU 140 -12.492 -10.724 -0.893 1091 1HB LEU 140 2HB LEU 140 -14.544 -11.489 -2.838 1092 2HB LEU 140 1HB LEU 140 -13.717 -12.852 -2.111 1093 HG LEU 140 HG LEU 140 -15.430 -10.777 -0.784 1094 1HD1 LEU 140 1HD1 LEU 140 -15.527 -13.647 -0.115 1095 2HD1 LEU 140 2HD1 LEU 140 -16.055 -13.194 -1.736 1096 3HD1 LEU 140 3HD1 LEU 140 -16.833 -12.480 -0.325 1097 1HD2 LEU 140 1HD2 LEU 140 -13.246 -12.411 0.443 1098 2HD2 LEU 140 2HD2 LEU 140 -14.693 -12.009 1.369 1099 3HD2 LEU 140 3HD2 LEU 140 -13.673 -10.722 0.724 Start of MODEL 5 1 1H MET 1 1HT MET 1 0.177 0.107 17.143 2 2H MET 1 2HT MET 1 -0.012 -0.667 15.622 3 3H MET 1 3HT MET 1 -1.124 0.544 16.117 4 HA MET 1 HA MET 1 0.393 2.225 15.879 5 1HB MET 1 2HB MET 1 2.807 1.642 15.333 6 2HB MET 1 1HB MET 1 2.280 1.305 16.976 7 1HG MET 1 2HG MET 1 2.395 -0.953 16.704 8 2HG MET 1 1HG MET 1 2.070 -0.873 14.974 9 1HE MET 1 1HE MET 1 4.768 0.156 17.685 10 2HE MET 1 2HE MET 1 6.111 -0.807 17.068 11 3HE MET 1 3HE MET 1 4.620 -1.599 17.582 12 H LYS 2 H LYS 2 -1.336 0.693 14.143 13 HA LYS 2 HA LYS 2 0.084 0.957 11.578 14 1HB LYS 2 2HB LYS 2 -2.478 -0.571 11.969 15 2HB LYS 2 1HB LYS 2 -1.328 -0.690 10.645 16 1HG LYS 2 2HG LYS 2 -0.649 -2.533 11.719 17 2HG LYS 2 1HG LYS 2 0.240 -1.394 12.731 18 1HD LYS 2 2HD LYS 2 -1.392 -1.466 14.427 19 2HD LYS 2 1HD LYS 2 -2.578 -2.226 13.364 20 1HE LYS 2 2HE LYS 2 -0.107 -3.761 13.664 21 2HE LYS 2 1HE LYS 2 -0.986 -3.531 15.175 22 1HZ LYS 2 1HZ LYS 2 -1.559 -5.547 13.738 23 2HZ LYS 2 2HZ LYS 2 -2.372 -4.453 12.737 24 3HZ LYS 2 3HZ LYS 2 -2.841 -4.629 14.352 25 H GLY 3 H GLY 3 -2.978 1.580 13.233 26 1HA GLY 3 2HA GLY 3 -4.416 3.376 12.998 27 2HA GLY 3 1HA GLY 3 -3.324 4.048 11.798 28 H PHE 4 H PHE 4 -3.957 0.923 10.882 29 HA PHE 4 HA PHE 4 -5.955 1.851 8.955 30 1HB PHE 4 2HB PHE 4 -4.849 0.638 7.448 31 2HB PHE 4 1HB PHE 4 -3.623 0.361 8.676 32 HD1 PHE 4 1HD PHE 4 -4.045 -1.664 10.262 33 HD2 PHE 4 2HD PHE 4 -5.907 -1.161 6.469 34 HE1 PHE 4 1HE PHE 4 -4.500 -4.080 10.170 35 HE2 PHE 4 2HE PHE 4 -6.365 -3.577 6.369 36 HZ PHE 4 HZ PHE 4 -5.663 -5.039 8.222 37 H GLU 5 H GLU 5 -7.933 0.927 8.716 38 HA GLU 5 HA GLU 5 -8.653 -1.424 10.276 39 1HB GLU 5 2HB GLU 5 -10.715 -0.210 11.122 40 2HB GLU 5 1HB GLU 5 -9.193 0.232 11.881 41 1HG GLU 5 2HG GLU 5 -9.068 2.239 10.540 42 2HG GLU 5 1HG GLU 5 -10.540 1.783 9.682 43 H PHE 6 H PHE 6 -9.960 -2.711 9.134 44 HA PHE 6 HA PHE 6 -11.056 -1.688 6.631 45 1HB PHE 6 2HB PHE 6 -11.453 -4.116 6.135 46 2HB PHE 6 1HB PHE 6 -9.767 -3.688 6.392 47 HD1 PHE 6 1HD PHE 6 -12.666 -5.447 7.762 48 HD2 PHE 6 2HD PHE 6 -8.556 -4.488 8.310 49 HE1 PHE 6 1HE PHE 6 -12.493 -7.191 9.488 50 HE2 PHE 6 2HE PHE 6 -8.375 -6.231 10.037 51 HZ PHE 6 HZ PHE 6 -10.346 -7.586 10.628 52 H PHE 7 H PHE 7 -13.200 -1.926 6.001 53 HA PHE 7 HA PHE 7 -15.085 -2.341 8.224 54 1HB PHE 7 2HB PHE 7 -16.604 -1.119 6.331 55 2HB PHE 7 1HB PHE 7 -15.757 -0.267 7.614 56 HD1 PHE 7 1HD PHE 7 -13.949 1.193 7.135 57 HD2 PHE 7 2HD PHE 7 -15.647 -1.200 4.052 58 HE1 PHE 7 1HE PHE 7 -12.736 2.515 5.447 59 HE2 PHE 7 2HE PHE 7 -14.435 0.114 2.362 60 HZ PHE 7 HZ PHE 7 -12.979 1.975 3.058 61 H ASP 8 H ASP 8 -17.307 -3.148 7.417 62 HA ASP 8 HA ASP 8 -16.749 -5.472 5.732 63 1HB ASP 8 2HB ASP 8 -18.955 -6.296 6.676 64 2HB ASP 8 1HB ASP 8 -17.617 -6.142 7.809 65 H VAL 9 H VAL 9 -17.038 -4.921 3.667 66 HA VAL 9 HA VAL 9 -19.622 -3.748 2.881 67 HB VAL 9 HB VAL 9 -16.908 -3.492 1.722 68 1HG1 VAL 9 1HG1 VAL 9 -17.482 -3.443 -0.528 69 2HG1 VAL 9 2HG1 VAL 9 -19.209 -3.352 -0.191 70 3HG1 VAL 9 3HG1 VAL 9 -18.342 -4.864 0.052 71 1HG2 VAL 9 1HG2 VAL 9 -17.918 -1.562 2.630 72 2HG2 VAL 9 2HG2 VAL 9 -19.413 -1.859 1.734 73 3HG2 VAL 9 3HG2 VAL 9 -17.943 -1.388 0.872 74 H THR 10 H THR 10 -20.776 -4.716 1.158 75 HA THR 10 HA THR 10 -20.284 -7.580 0.969 76 HB THR 10 HB THR 10 -22.677 -5.918 0.187 77 HG1 THR 10 1HG THR 10 -22.355 -7.762 2.317 78 1HG2 THR 10 1HG2 THR 10 -23.908 -7.925 -0.153 79 2HG2 THR 10 2HG2 THR 10 -22.534 -8.916 0.339 80 3HG2 THR 10 3HG2 THR 10 -22.464 -7.995 -1.164 81 H ALA 11 H ALA 11 -18.840 -8.021 -0.644 82 HA ALA 11 HA ALA 11 -18.697 -8.533 -3.000 83 1HB ALA 11 1HB ALA 11 -20.645 -7.081 -3.585 84 2HB ALA 11 2HB ALA 11 -19.274 -6.917 -4.683 85 3HB ALA 11 3HB ALA 11 -19.577 -5.681 -3.460 86 H ASP 12 H ASP 12 -17.967 -5.414 -1.576 87 HA ASP 12 HA ASP 12 -15.174 -5.730 -2.416 88 1HB ASP 12 2HB ASP 12 -15.467 -3.011 -2.018 89 2HB ASP 12 1HB ASP 12 -15.396 -3.819 -3.558 90 H ALA 13 H ALA 13 -13.663 -4.321 -1.045 91 HA ALA 13 HA ALA 13 -14.561 -3.959 1.697 92 1HB ALA 13 1HB ALA 13 -13.790 -5.950 2.330 93 2HB ALA 13 2HB ALA 13 -12.183 -5.254 2.125 94 3HB ALA 13 3HB ALA 13 -12.913 -6.189 0.819 95 H GLY 14 H GLY 14 -13.811 -2.042 2.356 96 1HA GLY 14 2HA GLY 14 -11.269 -1.068 1.200 97 2HA GLY 14 1HA GLY 14 -12.600 -0.016 1.628 98 H PHE 15 H PHE 15 -9.744 -0.202 2.500 99 HA PHE 15 HA PHE 15 -10.192 -0.562 5.382 100 1HB PHE 15 2HB PHE 15 -7.439 -0.269 4.310 101 2HB PHE 15 1HB PHE 15 -8.017 -1.236 5.656 102 HD1 PHE 15 1HD PHE 15 -8.126 -3.517 5.425 103 HD2 PHE 15 2HD PHE 15 -8.215 -1.095 1.928 104 HE1 PHE 15 1HE PHE 15 -8.058 -5.539 4.028 105 HE2 PHE 15 2HE PHE 15 -8.149 -3.113 0.524 106 HZ PHE 15 HZ PHE 15 -8.070 -5.339 1.574 107 H TRP 16 H TRP 16 -9.694 1.052 6.784 108 HA TRP 16 HA TRP 16 -9.092 3.660 5.562 109 1HB TRP 16 2HB TRP 16 -11.323 3.052 6.948 110 2HB TRP 16 1HB TRP 16 -10.283 3.542 8.280 111 HD1 TRP 16 HD TRP 16 -9.889 5.335 4.947 112 HE1 TRP 16 1HE TRP 16 -10.742 7.751 5.194 113 HE3 TRP 16 3HE TRP 16 -12.000 4.979 9.589 114 HZ2 TRP 16 2HZ TRP 16 -12.126 9.301 7.105 115 HZ3 TRP 16 3HZ TRP 16 -13.067 6.974 10.556 116 HH2 TRP 16 HH TRP 16 -13.128 9.089 9.338 117 H ALA 17 H ALA 17 -7.235 4.566 6.082 118 HA ALA 17 HA ALA 17 -5.908 3.764 8.585 119 1HB ALA 17 1HB ALA 17 -4.975 2.969 6.205 120 2HB ALA 17 2HB ALA 17 -3.921 3.359 7.563 121 3HB ALA 17 3HB ALA 17 -4.208 4.553 6.297 122 H TYR 18 H TYR 18 -4.322 5.290 9.350 123 HA TYR 18 HA TYR 18 -5.279 7.997 8.775 124 1HB TYR 18 2HB TYR 18 -3.952 7.531 11.349 125 2HB TYR 18 1HB TYR 18 -5.359 8.490 10.951 126 HD1 TYR 18 1HD TYR 18 -7.177 6.522 9.792 127 HD2 TYR 18 2HD TYR 18 -4.586 6.224 13.148 128 HE1 TYR 18 1HE TYR 18 -8.654 4.822 10.773 129 HE2 TYR 18 2HE TYR 18 -6.049 4.524 14.138 130 HH TYR 18 HH TYR 18 -7.738 2.874 13.383 131 H GLY 19 H GLY 19 -3.820 9.747 9.137 132 1HA GLY 19 2HA GLY 19 -1.083 9.087 8.262 133 2HA GLY 19 1HA GLY 19 -1.926 10.577 7.939 134 H HIS 20 H HIS 20 -0.269 11.686 8.631 135 HA HIS 20 HA HIS 20 -0.319 12.649 11.218 136 1HB HIS 20 2HB HIS 20 0.927 11.186 12.287 137 2HB HIS 20 1HB HIS 20 1.130 10.238 10.852 138 HD1 HIS 20 1HD HIS 20 3.464 9.857 10.221 139 HD2 HIS 20 2HD HIS 20 3.022 13.422 12.302 140 HE1 HIS 20 1HE HIS 20 5.767 10.814 10.375 141 HE2 HIS 20 2HE HIS 20 5.501 12.928 11.734 142 H ASP 21 H ASP 21 1.209 12.206 8.144 143 HA ASP 21 HA ASP 21 1.873 14.996 7.984 144 1HB ASP 21 2HB ASP 21 3.946 13.064 8.750 145 2HB ASP 21 1HB ASP 21 4.388 14.104 7.401 146 H LEU 22 H LEU 22 0.405 12.923 6.527 147 HA LEU 22 HA LEU 22 -0.159 12.630 4.326 148 1HB LEU 22 2HB LEU 22 2.451 13.868 3.485 149 2HB LEU 22 1HB LEU 22 0.970 13.723 2.558 150 HG LEU 22 HG LEU 22 0.854 15.347 5.044 151 1HD1 LEU 22 1HD1 LEU 22 2.001 17.165 4.260 152 2HD1 LEU 22 2HD1 LEU 22 1.851 16.673 2.573 153 3HD1 LEU 22 3HD1 LEU 22 3.004 15.859 3.629 154 1HD2 LEU 22 1HD2 LEU 22 -1.171 15.447 4.039 155 2HD2 LEU 22 2HD2 LEU 22 -0.513 15.141 2.431 156 3HD2 LEU 22 3HD2 LEU 22 -0.394 16.751 3.142 157 H GLU 23 H GLU 23 3.325 12.187 4.919 158 HA GLU 23 HA GLU 23 3.517 9.933 3.209 159 1HB GLU 23 2HB GLU 23 5.395 10.178 5.512 160 2HB GLU 23 1HB GLU 23 5.726 9.798 3.835 161 1HG GLU 23 2HG GLU 23 6.535 11.854 3.676 162 2HG GLU 23 1HG GLU 23 4.860 12.401 3.711 163 H GLU 24 H GLU 24 2.645 10.416 6.563 164 HA GLU 24 HA GLU 24 2.885 7.775 7.444 165 1HB GLU 24 2HB GLU 24 2.372 9.957 8.767 166 2HB GLU 24 1HB GLU 24 0.698 9.505 8.484 167 1HG GLU 24 2HG GLU 24 2.526 7.420 9.532 168 2HG GLU 24 1HG GLU 24 2.028 8.701 10.631 169 H VAL 25 H VAL 25 0.156 9.445 5.902 170 HA VAL 25 HA VAL 25 -1.598 7.197 6.136 171 HB VAL 25 HB VAL 25 -2.686 8.650 4.068 172 1HG1 VAL 25 1HG1 VAL 25 -3.329 9.662 6.743 173 2HG1 VAL 25 2HG1 VAL 25 -3.393 7.909 6.568 174 3HG1 VAL 25 3HG1 VAL 25 -4.368 8.936 5.517 175 1HG2 VAL 25 1HG2 VAL 25 -2.510 10.999 4.642 176 2HG2 VAL 25 2HG2 VAL 25 -0.926 10.349 4.236 177 3HG2 VAL 25 3HG2 VAL 25 -1.356 10.624 5.922 178 H PHE 26 H PHE 26 0.285 8.531 3.429 179 HA PHE 26 HA PHE 26 -0.593 6.877 1.412 180 1HB PHE 26 2HB PHE 26 2.128 8.076 1.897 181 2HB PHE 26 1HB PHE 26 1.713 7.222 0.413 182 HD1 PHE 26 1HD PHE 26 -0.861 8.060 -0.333 183 HD2 PHE 26 2HD PHE 26 2.187 10.342 1.564 184 HE1 PHE 26 1HE PHE 26 -1.847 10.122 -1.242 185 HE2 PHE 26 2HE PHE 26 1.206 12.408 0.661 186 HZ PHE 26 HZ PHE 26 -0.812 12.301 -0.745 187 H GLU 27 H GLU 27 2.240 6.251 3.507 188 HA GLU 27 HA GLU 27 2.772 3.689 2.446 189 1HB GLU 27 2HB GLU 27 3.774 5.343 4.578 190 2HB GLU 27 1HB GLU 27 3.631 3.694 5.110 191 1HG GLU 27 2HG GLU 27 5.171 4.673 2.733 192 2HG GLU 27 1HG GLU 27 5.829 4.032 4.235 193 H ASN 28 H ASN 28 0.633 4.809 4.980 194 HA ASN 28 HA ASN 28 0.084 2.324 6.179 195 1HB ASN 28 2HB ASN 28 -1.086 5.020 6.202 196 2HB ASN 28 1HB ASN 28 -2.245 3.730 6.501 197 1HD2 ASN 28 1HD2 ASN 28 -2.292 4.950 8.589 198 2HD2 ASN 28 2HD2 ASN 28 -1.191 4.445 9.820 199 H ALA 29 H ALA 29 -1.183 3.904 3.322 200 HA ALA 29 HA ALA 29 -3.478 2.360 2.907 201 1HB ALA 29 1HB ALA 29 -1.795 4.137 1.299 202 2HB ALA 29 2HB ALA 29 -3.552 4.016 1.396 203 3HB ALA 29 3HB ALA 29 -2.647 2.904 0.370 204 H ALA 30 H ALA 30 -0.101 1.742 2.167 205 HA ALA 30 HA ALA 30 -0.496 -0.517 0.514 206 1HB ALA 30 1HB ALA 30 1.864 0.290 2.209 207 2HB ALA 30 2HB ALA 30 1.616 0.636 0.498 208 3HB ALA 30 3HB ALA 30 1.879 -1.025 1.032 209 H LEU 31 H LEU 31 -0.073 -0.126 3.999 210 HA LEU 31 HA LEU 31 0.216 -2.790 4.736 211 1HB LEU 31 2HB LEU 31 0.051 -0.417 6.068 212 2HB LEU 31 1HB LEU 31 -1.465 -1.169 6.527 213 HG LEU 31 HG LEU 31 0.238 -1.639 8.186 214 1HD1 LEU 31 1HD1 LEU 31 0.085 -4.069 8.236 215 2HD1 LEU 31 2HD1 LEU 31 -0.401 -4.083 6.541 216 3HD1 LEU 31 3HD1 LEU 31 -1.452 -3.351 7.753 217 1HD2 LEU 31 1HD2 LEU 31 2.313 -2.529 7.757 218 2HD2 LEU 31 2HD2 LEU 31 2.080 -1.514 6.334 219 3HD2 LEU 31 3HD2 LEU 31 1.808 -3.254 6.230 220 H ALA 32 H ALA 32 -2.672 -0.976 3.906 221 HA ALA 32 HA ALA 32 -4.613 -2.753 4.853 222 1HB ALA 32 1HB ALA 32 -5.826 -1.721 2.664 223 2HB ALA 32 2HB ALA 32 -4.527 -0.550 2.905 224 3HB ALA 32 3HB ALA 32 -5.670 -0.872 4.207 225 H MET 33 H MET 33 -3.113 -2.540 1.631 226 HA MET 33 HA MET 33 -4.432 -4.866 0.637 227 1HB MET 33 2HB MET 33 -3.623 -3.089 -0.854 228 2HB MET 33 1HB MET 33 -1.966 -3.440 -0.381 229 1HG MET 33 2HG MET 33 -2.087 -4.570 -2.355 230 2HG MET 33 1HG MET 33 -2.555 -5.843 -1.229 231 1HE MET 33 1HE MET 33 -4.314 -7.388 -3.221 232 2HE MET 33 2HE MET 33 -2.904 -6.488 -3.780 233 3HE MET 33 3HE MET 33 -4.453 -6.301 -4.603 234 H PHE 34 H PHE 34 -1.435 -4.247 2.311 235 HA PHE 34 HA PHE 34 -0.118 -6.672 1.738 236 1HB PHE 34 2HB PHE 34 0.206 -4.447 3.628 237 2HB PHE 34 1HB PHE 34 0.797 -5.990 4.235 238 HD1 PHE 34 1HD PHE 34 2.419 -7.293 2.751 239 HD2 PHE 34 2HD PHE 34 1.495 -3.180 2.172 240 HE1 PHE 34 1HE PHE 34 4.487 -7.016 1.449 241 HE2 PHE 34 2HE PHE 34 3.561 -2.895 0.867 242 HZ PHE 34 HZ PHE 34 5.061 -4.815 0.503 243 H GLU 35 H GLU 35 -2.065 -5.704 4.563 244 HA GLU 35 HA GLU 35 -1.954 -8.083 5.977 245 1HB GLU 35 2HB GLU 35 -4.131 -6.007 5.773 246 2HB GLU 35 1HB GLU 35 -4.230 -7.371 6.879 247 1HG GLU 35 2HG GLU 35 -1.705 -5.977 7.109 248 2HG GLU 35 1HG GLU 35 -3.080 -4.908 7.381 249 H VAL 36 H VAL 36 -3.840 -7.243 3.169 250 HA VAL 36 HA VAL 36 -5.542 -9.569 3.327 251 HB VAL 36 HB VAL 36 -5.136 -7.755 0.952 252 1HG1 VAL 36 1HG1 VAL 36 -6.307 -9.653 0.251 253 2HG1 VAL 36 2HG1 VAL 36 -7.567 -8.462 0.577 254 3HG1 VAL 36 3HG1 VAL 36 -7.239 -9.742 1.746 255 1HG2 VAL 36 1HG2 VAL 36 -6.247 -6.111 1.957 256 2HG2 VAL 36 2HG2 VAL 36 -6.097 -7.005 3.469 257 3HG2 VAL 36 3HG2 VAL 36 -7.529 -7.211 2.461 258 H MET 37 H MET 37 -2.631 -8.587 1.622 259 HA MET 37 HA MET 37 -2.478 -10.562 -0.318 260 1HB MET 37 2HB MET 37 -0.781 -8.564 0.723 261 2HB MET 37 1HB MET 37 0.136 -10.063 0.789 262 1HG MET 37 2HG MET 37 -0.909 -10.226 -1.696 263 2HG MET 37 1HG MET 37 -0.745 -8.480 -1.520 264 1HE MET 37 1HE MET 37 0.698 -9.994 -3.776 265 2HE MET 37 2HE MET 37 0.949 -11.489 -2.875 266 3HE MET 37 3HE MET 37 2.334 -10.570 -3.466 267 H THR 38 H THR 38 -1.682 -10.703 3.102 268 HA THR 38 HA THR 38 -2.076 -13.429 3.366 269 HB THR 38 HB THR 38 -0.254 -14.153 2.186 270 HG1 THR 38 1HG THR 38 1.455 -14.586 3.648 271 1HG2 THR 38 1HG2 THR 38 0.816 -11.481 2.661 272 2HG2 THR 38 2HG2 THR 38 0.988 -12.548 1.268 273 3HG2 THR 38 3HG2 THR 38 2.030 -12.761 2.675 274 H ASP 39 H ASP 39 0.861 -12.013 4.719 275 HA ASP 39 HA ASP 39 -0.163 -10.736 6.950 276 1HB ASP 39 2HB ASP 39 -0.347 -13.632 7.122 277 2HB ASP 39 1HB ASP 39 0.648 -12.972 8.416 278 H THR 40 H THR 40 1.550 -9.435 7.127 279 HA THR 40 HA THR 40 4.229 -10.291 6.658 280 HB THR 40 HB THR 40 4.867 -8.065 6.975 281 HG1 THR 40 1HG THR 40 4.134 -7.697 9.039 282 1HG2 THR 40 1HG2 THR 40 2.238 -7.043 6.440 283 2HG2 THR 40 2HG2 THR 40 2.548 -8.500 5.496 284 3HG2 THR 40 3HG2 THR 40 3.652 -7.129 5.389 285 H SER 41 H SER 41 2.194 -10.239 9.433 286 HA SER 41 HA SER 41 4.128 -10.016 11.466 287 1HB SER 41 2HB SER 41 2.334 -11.240 12.846 288 2HB SER 41 1HB SER 41 1.894 -9.690 12.129 289 HG SER 41 HG SER 41 0.917 -12.200 11.622 290 H LEU 42 H LEU 42 5.660 -11.490 10.125 291 HA LEU 42 HA LEU 42 6.256 -13.727 11.624 292 1HB LEU 42 2HB LEU 42 5.809 -15.524 9.865 293 2HB LEU 42 1HB LEU 42 4.473 -14.989 10.859 294 HG LEU 42 HG LEU 42 4.196 -15.368 8.274 295 1HD1 LEU 42 1HD1 LEU 42 2.677 -14.274 10.169 296 2HD1 LEU 42 2HD1 LEU 42 2.207 -14.330 8.470 297 3HD1 LEU 42 3HD1 LEU 42 2.909 -12.859 9.141 298 1HD2 LEU 42 1HD2 LEU 42 6.038 -13.745 7.751 299 2HD2 LEU 42 2HD2 LEU 42 4.961 -12.460 8.292 300 3HD2 LEU 42 3HD2 LEU 42 4.517 -13.463 6.912 301 H VAL 43 H VAL 43 6.678 -11.776 8.863 302 HA VAL 43 HA VAL 43 9.252 -13.063 8.241 303 HB VAL 43 HB VAL 43 7.470 -11.290 6.579 304 1HG1 VAL 43 1HG1 VAL 43 9.205 -11.600 4.781 305 2HG1 VAL 43 2HG1 VAL 43 10.299 -12.157 6.049 306 3HG1 VAL 43 3HG1 VAL 43 9.656 -10.516 6.097 307 1HG2 VAL 43 1HG2 VAL 43 7.886 -14.133 6.769 308 2HG2 VAL 43 2HG2 VAL 43 8.186 -13.541 5.135 309 3HG2 VAL 43 3HG2 VAL 43 6.636 -13.224 5.918 310 H GLU 44 H GLU 44 11.107 -11.946 8.531 311 HA GLU 44 HA GLU 44 10.968 -9.454 9.971 312 1HB GLU 44 2HB GLU 44 13.253 -11.229 9.133 313 2HB GLU 44 1HB GLU 44 13.500 -9.694 9.953 314 1HG GLU 44 2HG GLU 44 13.122 -10.623 11.922 315 2HG GLU 44 1HG GLU 44 11.563 -11.241 11.381 316 H ALA 45 H ALA 45 13.316 -10.191 7.443 317 HA ALA 45 HA ALA 45 12.452 -8.475 5.440 318 1HB ALA 45 1HB ALA 45 13.169 -6.968 7.635 319 2HB ALA 45 2HB ALA 45 13.050 -6.390 5.974 320 3HB ALA 45 3HB ALA 45 14.607 -6.912 6.617 321 H ALA 46 H ALA 46 13.397 -9.733 3.938 322 HA ALA 46 HA ALA 46 16.229 -10.401 4.243 323 1HB ALA 46 1HB ALA 46 15.883 -12.243 2.811 324 2HB ALA 46 2HB ALA 46 14.332 -11.613 2.254 325 3HB ALA 46 3HB ALA 46 14.499 -12.216 3.904 326 H GLU 47 H GLU 47 13.960 -8.796 2.124 327 HA GLU 47 HA GLU 47 16.234 -7.771 0.561 328 1HB GLU 47 2HB GLU 47 13.593 -8.470 -0.686 329 2HB GLU 47 1HB GLU 47 15.102 -8.081 -1.488 330 1HG GLU 47 2HG GLU 47 14.958 -10.475 0.278 331 2HG GLU 47 1HG GLU 47 14.260 -10.539 -1.331 332 H GLU 48 H GLU 48 15.910 -5.695 -0.369 333 HA GLU 48 HA GLU 48 13.499 -4.296 0.537 334 1HB GLU 48 2HB GLU 48 15.449 -3.824 2.054 335 2HB GLU 48 1HB GLU 48 16.269 -3.100 0.678 336 1HG GLU 48 2HG GLU 48 14.175 -1.609 0.502 337 2HG GLU 48 1HG GLU 48 13.854 -2.138 2.153 338 H ARG 49 H ARG 49 12.697 -2.743 -0.816 339 HA ARG 49 HA ARG 49 14.196 -2.106 -3.250 340 1HB ARG 49 2HB ARG 49 11.444 -3.325 -3.130 341 2HB ARG 49 1HB ARG 49 11.989 -2.401 -4.523 342 1HG ARG 49 2HG ARG 49 13.459 -4.796 -3.455 343 2HG ARG 49 1HG ARG 49 12.226 -4.887 -4.715 344 1HD ARG 49 2HD ARG 49 14.164 -4.754 -5.959 345 2HD ARG 49 1HD ARG 49 13.667 -3.064 -5.882 346 HE ARG 49 HE ARG 49 15.472 -3.859 -3.784 347 1HH1 ARG 49 1HH1 ARG 49 15.214 -2.633 -7.043 348 2HH1 ARG 49 2HH1 ARG 49 16.782 -1.899 -7.023 349 1HH2 ARG 49 1HH2 ARG 49 17.534 -2.894 -3.757 350 2HH2 ARG 49 2HH2 ARG 49 18.100 -2.047 -5.158 351 H ARG 50 H ARG 50 13.411 -0.210 -4.363 352 HA ARG 50 HA ARG 50 11.922 1.591 -2.570 353 1HB ARG 50 2HB ARG 50 14.457 1.886 -3.870 354 2HB ARG 50 1HB ARG 50 13.352 3.099 -4.500 355 1HG ARG 50 2HG ARG 50 12.872 3.291 -1.839 356 2HG ARG 50 1HG ARG 50 14.581 2.854 -1.851 357 1HD ARG 50 2HD ARG 50 14.751 4.708 -3.677 358 2HD ARG 50 1HD ARG 50 13.228 5.267 -2.984 359 HE ARG 50 HE ARG 50 15.045 4.869 -0.899 360 1HH1 ARG 50 1HH1 ARG 50 14.600 6.975 -3.646 361 2HH1 ARG 50 2HH1 ARG 50 15.431 8.307 -2.917 362 1HH2 ARG 50 1HH2 ARG 50 16.137 6.620 0.062 363 2HH2 ARG 50 2HH2 ARG 50 16.303 8.107 -0.812 364 H VAL 51 H VAL 51 10.305 2.863 -3.384 365 HA VAL 51 HA VAL 51 9.564 2.455 -6.206 366 HB VAL 51 HB VAL 51 7.540 2.710 -3.985 367 1HG1 VAL 51 1HG1 VAL 51 5.936 2.221 -5.573 368 2HG1 VAL 51 2HG1 VAL 51 7.093 1.449 -6.657 369 3HG1 VAL 51 3HG1 VAL 51 7.075 3.204 -6.494 370 1HG2 VAL 51 1HG2 VAL 51 7.260 0.352 -3.938 371 2HG2 VAL 51 2HG2 VAL 51 8.985 0.662 -3.735 372 3HG2 VAL 51 3HG2 VAL 51 8.363 0.128 -5.297 373 H GLU 52 H GLU 52 8.636 4.215 -7.257 374 HA GLU 52 HA GLU 52 8.568 6.735 -5.743 375 1HB GLU 52 2HB GLU 52 10.582 6.768 -7.070 376 2HB GLU 52 1HB GLU 52 9.700 6.259 -8.499 377 1HG GLU 52 2HG GLU 52 9.037 8.337 -8.982 378 2HG GLU 52 1HG GLU 52 8.685 8.718 -7.298 379 H ILE 53 H ILE 53 6.955 8.182 -6.295 380 HA ILE 53 HA ILE 53 5.064 7.330 -8.362 381 HB ILE 53 HB ILE 53 3.713 8.398 -6.005 382 1HG1 ILE 53 2HG1 ILE 53 5.070 5.695 -5.795 383 2HG1 ILE 53 1HG1 ILE 53 5.457 7.112 -4.827 384 1HG2 ILE 53 1HG2 ILE 53 3.370 5.901 -7.644 385 2HG2 ILE 53 2HG2 ILE 53 2.601 7.462 -7.948 386 3HG2 ILE 53 3HG2 ILE 53 2.204 6.552 -6.489 387 1HD1 ILE 53 1HD1 ILE 53 3.277 7.042 -3.799 388 2HD1 ILE 53 2HD1 ILE 53 4.078 5.480 -3.628 389 3HD1 ILE 53 3HD1 ILE 53 2.805 5.693 -4.831 390 H THR 54 H THR 54 3.706 8.967 -9.182 391 HA THR 54 HA THR 54 4.549 11.704 -8.491 392 HB THR 54 HB THR 54 3.683 10.795 -11.237 393 HG1 THR 54 1HG THR 54 5.599 9.782 -10.905 394 1HG2 THR 54 1HG2 THR 54 3.493 13.040 -11.406 395 2HG2 THR 54 2HG2 THR 54 5.226 12.898 -11.703 396 3HG2 THR 54 3HG2 THR 54 4.640 13.350 -10.103 397 H SER 55 H SER 55 2.954 12.749 -7.547 398 HA SER 55 HA SER 55 0.192 12.277 -8.456 399 1HB SER 55 2HB SER 55 0.321 11.423 -6.236 400 2HB SER 55 1HB SER 55 1.243 12.819 -5.679 401 HG SER 55 HG SER 55 -1.469 12.784 -6.514 402 H GLU 56 H GLU 56 -1.269 14.158 -8.079 403 HA GLU 56 HA GLU 56 -0.008 16.741 -7.838 404 1HB GLU 56 2HB GLU 56 -0.670 15.590 -10.441 405 2HB GLU 56 1HB GLU 56 -1.394 17.172 -10.176 406 1HG GLU 56 2HG GLU 56 0.603 18.237 -10.120 407 2HG GLU 56 1HG GLU 56 1.458 16.835 -9.478 408 H ASP 57 H ASP 57 -2.088 15.197 -6.479 409 HA ASP 57 HA ASP 57 -3.928 17.278 -6.044 410 1HB ASP 57 2HB ASP 57 -4.642 16.357 -8.326 411 2HB ASP 57 1HB ASP 57 -5.206 14.940 -7.443 412 H ARG 58 H ARG 58 -2.269 15.160 -4.708 413 HA ARG 58 HA ARG 58 -2.324 13.960 -2.786 414 1HB ARG 58 2HB ARG 58 -4.240 15.960 -2.476 415 2HB ARG 58 1HB ARG 58 -5.058 14.489 -1.969 416 1HG ARG 58 2HG ARG 58 -3.962 14.459 -0.044 417 2HG ARG 58 1HG ARG 58 -2.405 14.598 -0.862 418 1HD ARG 58 2HD ARG 58 -2.277 16.822 -0.519 419 2HD ARG 58 1HD ARG 58 -4.003 17.065 -0.784 420 HE ARG 58 HE ARG 58 -3.663 15.742 1.656 421 1HH1 ARG 58 1HH1 ARG 58 -3.001 18.850 0.217 422 2HH1 ARG 58 2HH1 ARG 58 -3.109 19.709 1.716 423 1HH2 ARG 58 1HH2 ARG 58 -3.807 16.869 3.631 424 2HH2 ARG 58 2HH2 ARG 58 -3.566 18.584 3.656 425 H VAL 59 H VAL 59 -5.722 13.766 -3.852 426 HA VAL 59 HA VAL 59 -6.160 11.130 -3.137 427 HB VAL 59 HB VAL 59 -7.967 12.650 -3.768 428 1HG1 VAL 59 1HG1 VAL 59 -8.445 13.130 -6.119 429 2HG1 VAL 59 2HG1 VAL 59 -6.963 12.297 -6.590 430 3HG1 VAL 59 3HG1 VAL 59 -6.876 13.776 -5.634 431 1HG2 VAL 59 1HG2 VAL 59 -7.890 10.185 -5.507 432 2HG2 VAL 59 2HG2 VAL 59 -9.336 11.075 -5.029 433 3HG2 VAL 59 3HG2 VAL 59 -8.374 10.237 -3.812 434 H SER 60 H SER 60 -4.744 12.416 -6.094 435 HA SER 60 HA SER 60 -4.822 10.062 -7.623 436 1HB SER 60 2HB SER 60 -4.074 12.601 -8.146 437 2HB SER 60 1HB SER 60 -2.485 11.853 -7.986 438 HG SER 60 HG SER 60 -3.948 11.825 -10.100 439 H LEU 61 H LEU 61 -2.360 11.289 -5.369 440 HA LEU 61 HA LEU 61 -0.379 9.403 -5.842 441 1HB LEU 61 2HB LEU 61 -0.387 11.463 -4.267 442 2HB LEU 61 1HB LEU 61 -1.004 10.350 -3.064 443 HG LEU 61 HG LEU 61 1.380 10.564 -2.774 444 1HD1 LEU 61 1HD1 LEU 61 2.044 8.263 -2.894 445 2HD1 LEU 61 2HD1 LEU 61 0.822 7.922 -4.112 446 3HD1 LEU 61 3HD1 LEU 61 0.336 8.330 -2.467 447 1HD2 LEU 61 1HD2 LEU 61 2.176 11.318 -4.846 448 2HD2 LEU 61 2HD2 LEU 61 1.484 9.947 -5.712 449 3HD2 LEU 61 3HD2 LEU 61 2.876 9.712 -4.657 450 H LEU 62 H LEU 62 -3.006 9.237 -3.429 451 HA LEU 62 HA LEU 62 -2.437 6.655 -2.508 452 1HB LEU 62 2HB LEU 62 -4.137 8.478 -1.669 453 2HB LEU 62 1HB LEU 62 -5.261 7.625 -2.707 454 HG LEU 62 HG LEU 62 -5.677 6.590 -0.693 455 1HD1 LEU 62 1HD1 LEU 62 -5.077 4.848 -2.268 456 2HD1 LEU 62 2HD1 LEU 62 -4.530 4.401 -0.653 457 3HD1 LEU 62 3HD1 LEU 62 -3.372 5.002 -1.842 458 1HD2 LEU 62 1HD2 LEU 62 -4.313 7.467 0.891 459 2HD2 LEU 62 2HD2 LEU 62 -2.866 7.321 -0.106 460 3HD2 LEU 62 3HD2 LEU 62 -3.515 5.904 0.721 461 H TYR 63 H TYR 63 -4.362 7.792 -5.224 462 HA TYR 63 HA TYR 63 -5.522 5.331 -5.937 463 1HB TYR 63 2HB TYR 63 -6.425 7.370 -6.831 464 2HB TYR 63 1HB TYR 63 -4.886 7.788 -7.574 465 HD1 TYR 63 1HD TYR 63 -6.316 4.392 -7.682 466 HD2 TYR 63 2HD TYR 63 -5.744 8.039 -9.797 467 HE1 TYR 63 1HE TYR 63 -7.023 3.289 -9.763 468 HE2 TYR 63 2HE TYR 63 -6.451 6.946 -11.883 469 HH TYR 63 HH TYR 63 -6.402 4.135 -12.597 470 H ASP 64 H ASP 64 -2.425 6.794 -6.699 471 HA ASP 64 HA ASP 64 -1.755 4.569 -8.473 472 1HB ASP 64 2HB ASP 64 -0.690 7.309 -8.040 473 2HB ASP 64 1HB ASP 64 0.454 6.077 -8.563 474 H TRP 65 H TRP 65 -1.397 5.431 -5.216 475 HA TRP 65 HA TRP 65 1.177 4.316 -4.761 476 1HB TRP 65 2HB TRP 65 -0.145 5.965 -3.281 477 2HB TRP 65 1HB TRP 65 -0.938 4.530 -2.647 478 HD1 TRP 65 HD TRP 65 0.375 5.763 -0.399 479 HE1 TRP 65 1HE TRP 65 2.611 5.036 0.640 480 HE3 TRP 65 3HE TRP 65 2.368 3.190 -4.373 481 HZ2 TRP 65 2HZ TRP 65 4.896 3.581 -0.100 482 HZ3 TRP 65 3HZ TRP 65 4.581 2.167 -4.109 483 HH2 TRP 65 HH TRP 65 5.820 2.359 -2.017 484 H LEU 66 H LEU 66 -2.110 3.128 -4.089 485 HA LEU 66 HA LEU 66 -1.266 0.569 -3.221 486 1HB LEU 66 2HB LEU 66 -3.619 1.931 -3.165 487 2HB LEU 66 1HB LEU 66 -3.944 0.785 -4.451 488 HG LEU 66 HG LEU 66 -3.206 0.151 -1.594 489 1HD1 LEU 66 1HD1 LEU 66 -5.395 -0.863 -1.498 490 2HD1 LEU 66 2HD1 LEU 66 -5.681 -0.481 -3.195 491 3HD1 LEU 66 3HD1 LEU 66 -5.541 0.818 -2.010 492 1HD2 LEU 66 1HD2 LEU 66 -2.188 -1.634 -2.535 493 2HD2 LEU 66 2HD2 LEU 66 -3.078 -1.483 -4.051 494 3HD2 LEU 66 3HD2 LEU 66 -3.842 -2.234 -2.650 495 H ASP 67 H ASP 67 -2.518 1.727 -6.352 496 HA ASP 67 HA ASP 67 -2.513 -0.683 -7.728 497 1HB ASP 67 2HB ASP 67 -3.279 1.622 -8.557 498 2HB ASP 67 1HB ASP 67 -1.592 1.913 -8.970 499 H GLU 68 H GLU 68 0.116 1.422 -6.818 500 HA GLU 68 HA GLU 68 2.149 0.267 -8.404 501 1HB GLU 68 2HB GLU 68 1.975 2.368 -6.606 502 2HB GLU 68 1HB GLU 68 3.014 1.221 -5.773 503 1HG GLU 68 2HG GLU 68 4.437 2.653 -6.979 504 2HG GLU 68 1HG GLU 68 4.405 1.131 -7.868 505 H LEU 69 H LEU 69 0.859 -0.417 -5.201 506 HA LEU 69 HA LEU 69 2.706 -2.378 -4.426 507 1HB LEU 69 2HB LEU 69 0.153 -1.370 -3.504 508 2HB LEU 69 1HB LEU 69 0.252 -3.110 -3.307 509 HG LEU 69 HG LEU 69 2.631 -2.436 -2.261 510 1HD1 LEU 69 1HD1 LEU 69 2.470 -0.420 -0.962 511 2HD1 LEU 69 2HD1 LEU 69 0.841 -0.113 -1.566 512 3HD1 LEU 69 3HD1 LEU 69 2.218 -0.028 -2.664 513 1HD2 LEU 69 1HD2 LEU 69 0.013 -2.303 -0.767 514 2HD2 LEU 69 2HD2 LEU 69 1.599 -2.653 -0.081 515 3HD2 LEU 69 3HD2 LEU 69 0.859 -3.785 -1.212 516 H LEU 70 H LEU 70 -0.121 -2.459 -6.466 517 HA LEU 70 HA LEU 70 -0.586 -5.209 -6.561 518 1HB LEU 70 2HB LEU 70 -1.578 -2.918 -7.828 519 2HB LEU 70 1HB LEU 70 -1.022 -3.956 -9.127 520 HG LEU 70 HG LEU 70 -2.403 -5.806 -8.033 521 1HD1 LEU 70 1HD1 LEU 70 -3.909 -5.346 -6.385 522 2HD1 LEU 70 2HD1 LEU 70 -4.040 -3.643 -6.823 523 3HD1 LEU 70 3HD1 LEU 70 -2.629 -4.220 -5.934 524 1HD2 LEU 70 1HD2 LEU 70 -4.052 -3.503 -9.023 525 2HD2 LEU 70 2HD2 LEU 70 -4.294 -5.230 -9.284 526 3HD2 LEU 70 3HD2 LEU 70 -2.967 -4.393 -10.089 527 H PHE 71 H PHE 71 1.358 -3.180 -8.748 528 HA PHE 71 HA PHE 71 2.356 -5.386 -10.247 529 1HB PHE 71 2HB PHE 71 2.821 -2.461 -10.153 530 2HB PHE 71 1HB PHE 71 4.141 -3.436 -10.791 531 HD1 PHE 71 1HD PHE 71 4.146 -3.064 -13.072 532 HD2 PHE 71 2HD PHE 71 0.464 -3.896 -11.108 533 HE1 PHE 71 1HE PHE 71 3.012 -3.173 -15.252 534 HE2 PHE 71 2HE PHE 71 -0.678 -4.007 -13.284 535 HZ PHE 71 HZ PHE 71 0.597 -3.646 -15.360 536 H ILE 72 H ILE 72 3.718 -3.351 -7.681 537 HA ILE 72 HA ILE 72 6.272 -4.476 -7.607 538 HB ILE 72 HB ILE 72 4.726 -3.343 -5.271 539 1HG1 ILE 72 2HG1 ILE 72 6.746 -1.777 -6.813 540 2HG1 ILE 72 1HG1 ILE 72 5.145 -1.982 -7.518 541 1HG2 ILE 72 1HG2 ILE 72 7.078 -2.750 -4.506 542 2HG2 ILE 72 2HG2 ILE 72 7.645 -3.894 -5.722 543 3HG2 ILE 72 3HG2 ILE 72 6.614 -4.449 -4.404 544 1HD1 ILE 72 1HD1 ILE 72 6.021 -0.253 -5.376 545 2HD1 ILE 72 2HD1 ILE 72 4.631 -1.234 -4.910 546 3HD1 ILE 72 3HD1 ILE 72 4.545 -0.205 -6.340 547 H HIS 73 H HIS 73 3.254 -5.538 -6.136 548 HA HIS 73 HA HIS 73 4.252 -7.395 -4.314 549 1HB HIS 73 2HB HIS 73 1.684 -7.057 -5.778 550 2HB HIS 73 1HB HIS 73 1.981 -8.618 -5.020 551 HD1 HIS 73 1HD HIS 73 -0.302 -6.977 -3.948 552 HD2 HIS 73 2HD HIS 73 3.579 -6.653 -2.496 553 HE1 HIS 73 1HE HIS 73 -0.529 -6.033 -1.629 554 HE2 HIS 73 2HE HIS 73 1.825 -5.932 -0.736 555 H ASP 74 H ASP 74 3.233 -7.965 -7.693 556 HA ASP 74 HA ASP 74 4.234 -10.649 -7.660 557 1HB ASP 74 2HB ASP 74 2.823 -8.917 -9.565 558 2HB ASP 74 1HB ASP 74 3.997 -9.982 -10.331 559 H THR 75 H THR 75 5.475 -7.526 -8.593 560 HA THR 75 HA THR 75 7.730 -8.469 -10.009 561 HB THR 75 HB THR 75 7.470 -5.908 -8.416 562 HG1 THR 75 1HG THR 75 6.786 -5.010 -10.380 563 1HG2 THR 75 1HG2 THR 75 9.011 -5.055 -10.245 564 2HG2 THR 75 2HG2 THR 75 9.361 -6.752 -10.580 565 3HG2 THR 75 3HG2 THR 75 9.725 -6.072 -8.993 566 H GLU 76 H GLU 76 6.848 -8.489 -6.734 567 HA GLU 76 HA GLU 76 9.155 -9.932 -6.012 568 1HB GLU 76 2HB GLU 76 9.139 -7.060 -5.510 569 2HB GLU 76 1HB GLU 76 9.376 -7.998 -4.042 570 1HG GLU 76 2HG GLU 76 11.465 -8.507 -4.587 571 2HG GLU 76 1HG GLU 76 11.011 -8.970 -6.226 572 H PHE 77 H PHE 77 7.212 -11.222 -5.738 573 HA PHE 77 HA PHE 77 5.183 -10.874 -3.948 574 1HB PHE 77 2HB PHE 77 6.742 -13.441 -4.314 575 2HB PHE 77 1HB PHE 77 5.096 -13.302 -3.708 576 HD1 PHE 77 1HD PHE 77 7.228 -13.291 -6.650 577 HD2 PHE 77 2HD PHE 77 3.263 -12.712 -5.215 578 HE1 PHE 77 1HE PHE 77 6.372 -13.487 -8.948 579 HE2 PHE 77 2HE PHE 77 2.400 -12.908 -7.512 580 HZ PHE 77 HZ PHE 77 3.955 -13.296 -9.381 581 H ILE 78 H ILE 78 5.763 -9.687 -2.163 582 HA ILE 78 HA ILE 78 7.566 -10.989 -0.229 583 HB ILE 78 HB ILE 78 7.806 -8.767 0.816 584 1HG1 ILE 78 2HG1 ILE 78 6.204 -7.795 -1.561 585 2HG1 ILE 78 1HG1 ILE 78 5.635 -7.837 0.104 586 1HG2 ILE 78 1HG2 ILE 78 9.564 -8.375 -0.491 587 2HG2 ILE 78 2HG2 ILE 78 8.546 -8.014 -1.885 588 3HG2 ILE 78 3HG2 ILE 78 8.975 -9.685 -1.516 589 1HD1 ILE 78 1HD1 ILE 78 6.411 -5.606 -0.743 590 2HD1 ILE 78 2HD1 ILE 78 8.045 -6.269 -0.757 591 3HD1 ILE 78 3HD1 ILE 78 7.152 -6.153 0.760 592 H LEU 79 H LEU 79 6.832 -11.549 1.739 593 HA LEU 79 HA LEU 79 3.988 -11.412 2.224 594 1HB LEU 79 2HB LEU 79 6.164 -12.574 3.962 595 2HB LEU 79 1HB LEU 79 4.440 -12.847 4.128 596 HG LEU 79 HG LEU 79 5.911 -13.639 1.630 597 1HD1 LEU 79 1HD1 LEU 79 6.462 -15.717 2.489 598 2HD1 LEU 79 2HD1 LEU 79 5.360 -15.557 3.857 599 3HD1 LEU 79 3HD1 LEU 79 6.860 -14.630 3.819 600 1HD2 LEU 79 1HD2 LEU 79 4.021 -15.322 1.606 601 2HD2 LEU 79 2HD2 LEU 79 3.570 -13.639 1.332 602 3HD2 LEU 79 3HD2 LEU 79 3.292 -14.381 2.908 603 H PHE 80 H PHE 80 6.942 -10.120 3.690 604 HA PHE 80 HA PHE 80 5.247 -8.332 5.297 605 1HB PHE 80 2HB PHE 80 6.359 -9.713 6.868 606 2HB PHE 80 1HB PHE 80 7.872 -9.638 5.974 607 HD1 PHE 80 1HD PHE 80 5.952 -8.244 8.634 608 HD2 PHE 80 2HD PHE 80 9.094 -7.402 5.891 609 HE1 PHE 80 1HE PHE 80 6.718 -6.408 10.081 610 HE2 PHE 80 2HE PHE 80 9.865 -5.565 7.333 611 HZ PHE 80 HZ PHE 80 8.677 -5.066 9.431 612 H SER 81 H SER 81 5.815 -6.174 5.455 613 HA SER 81 HA SER 81 8.190 -5.267 4.134 614 1HB SER 81 2HB SER 81 6.105 -5.567 2.473 615 2HB SER 81 1HB SER 81 5.779 -3.935 3.054 616 HG SER 81 HG SER 81 8.265 -4.790 1.986 617 H LYS 82 H LYS 82 8.986 -3.498 5.034 618 HA LYS 82 HA LYS 82 7.483 -2.187 7.138 619 1HB LYS 82 2HB LYS 82 9.977 -2.762 7.246 620 2HB LYS 82 1HB LYS 82 10.228 -1.435 6.118 621 1HG LYS 82 2HG LYS 82 8.941 -0.024 7.861 622 2HG LYS 82 1HG LYS 82 9.326 -1.348 8.965 623 1HD LYS 82 2HD LYS 82 11.572 -0.902 8.932 624 2HD LYS 82 1HD LYS 82 11.523 -0.222 7.305 625 1HE LYS 82 2HE LYS 82 11.509 1.812 8.196 626 2HE LYS 82 1HE LYS 82 9.941 1.455 8.920 627 1HZ LYS 82 1HZ LYS 82 12.541 0.780 10.183 628 2HZ LYS 82 2HZ LYS 82 11.007 0.662 10.885 629 3HZ LYS 82 3HZ LYS 82 11.658 2.182 10.527 630 H PHE 83 H PHE 83 6.973 0.098 7.106 631 HA PHE 83 HA PHE 83 6.720 1.070 4.337 632 1HB PHE 83 2HB PHE 83 5.036 2.676 5.601 633 2HB PHE 83 1HB PHE 83 4.564 1.058 5.098 634 HD1 PHE 83 1HD PHE 83 5.482 3.184 7.943 635 HD2 PHE 83 2HD PHE 83 4.138 -0.662 6.713 636 HE1 PHE 83 1HE PHE 83 4.887 2.652 10.271 637 HE2 PHE 83 2HE PHE 83 3.540 -1.201 9.038 638 HZ PHE 83 HZ PHE 83 3.914 0.457 10.821 639 H LYS 84 H LYS 84 7.919 2.554 3.672 640 HA LYS 84 HA LYS 84 8.669 4.806 5.372 641 1HB LYS 84 2HB LYS 84 10.852 4.268 5.312 642 2HB LYS 84 1HB LYS 84 10.497 2.835 4.360 643 1HG LYS 84 2HG LYS 84 10.810 3.987 2.329 644 2HG LYS 84 1HG LYS 84 10.801 5.559 3.129 645 1HD LYS 84 2HD LYS 84 12.876 3.470 3.742 646 2HD LYS 84 1HD LYS 84 13.070 4.621 2.419 647 1HE LYS 84 2HE LYS 84 13.983 5.978 3.940 648 2HE LYS 84 1HE LYS 84 12.338 6.230 4.523 649 1HZ LYS 84 1HZ LYS 84 12.967 5.362 6.444 650 2HZ LYS 84 2HZ LYS 84 14.508 5.008 5.842 651 3HZ LYS 84 3HZ LYS 84 13.260 3.879 5.682 652 H VAL 85 H VAL 85 7.718 6.535 4.364 653 HA VAL 85 HA VAL 85 7.708 6.458 1.425 654 HB VAL 85 HB VAL 85 5.504 6.170 1.699 655 1HG1 VAL 85 1HG1 VAL 85 5.719 6.159 4.200 656 2HG1 VAL 85 2HG1 VAL 85 4.192 6.762 3.560 657 3HG1 VAL 85 3HG1 VAL 85 5.404 7.893 4.154 658 1HG2 VAL 85 1HG2 VAL 85 4.255 8.225 1.508 659 2HG2 VAL 85 2HG2 VAL 85 5.731 8.278 0.543 660 3HG2 VAL 85 3HG2 VAL 85 5.649 9.140 2.077 661 H LYS 86 H LYS 86 7.841 8.310 0.290 662 HA LYS 86 HA LYS 86 8.791 10.693 1.732 663 1HB LYS 86 2HB LYS 86 10.406 8.977 0.420 664 2HB LYS 86 1HB LYS 86 9.905 9.973 -0.935 665 1HG LYS 86 2HG LYS 86 11.489 11.426 -0.385 666 2HG LYS 86 1HG LYS 86 10.595 11.777 1.096 667 1HD LYS 86 2HD LYS 86 12.611 11.158 1.986 668 2HD LYS 86 1HD LYS 86 11.806 9.588 1.935 669 1HE LYS 86 2HE LYS 86 12.881 9.184 -0.274 670 2HE LYS 86 1HE LYS 86 13.779 10.686 -0.063 671 1HZ LYS 86 1HZ LYS 86 13.948 8.248 1.619 672 2HZ LYS 86 2HZ LYS 86 14.681 9.718 2.021 673 3HZ LYS 86 3HZ LYS 86 15.157 8.893 0.625 674 H ILE 87 H ILE 87 7.466 12.412 1.204 675 HA ILE 87 HA ILE 87 6.482 12.522 -1.571 676 HB ILE 87 HB ILE 87 4.560 11.889 -0.335 677 1HG1 ILE 87 2HG1 ILE 87 4.536 14.878 -0.812 678 2HG1 ILE 87 1HG1 ILE 87 4.094 13.621 -1.961 679 1HG2 ILE 87 1HG2 ILE 87 5.598 12.585 1.874 680 2HG2 ILE 87 2HG2 ILE 87 3.852 12.778 1.703 681 3HG2 ILE 87 3HG2 ILE 87 4.915 14.180 1.561 682 1HD1 ILE 87 1HD1 ILE 87 2.604 13.858 0.613 683 2HD1 ILE 87 2HD1 ILE 87 2.073 13.220 -0.942 684 3HD1 ILE 87 3HD1 ILE 87 2.254 14.959 -0.719 685 H ASP 88 H ASP 88 6.443 14.523 -2.553 686 HA ASP 88 HA ASP 88 7.561 16.749 -0.975 687 1HB ASP 88 2HB ASP 88 9.239 15.813 -2.496 688 2HB ASP 88 1HB ASP 88 8.122 15.978 -3.852 689 H GLU 89 H GLU 89 6.175 18.432 -0.880 690 HA GLU 89 HA GLU 89 4.183 18.682 -3.040 691 1HB GLU 89 2HB GLU 89 2.982 20.171 -1.378 692 2HB GLU 89 1HB GLU 89 3.075 18.469 -0.947 693 1HG GLU 89 2HG GLU 89 5.273 20.106 0.083 694 2HG GLU 89 1HG GLU 89 3.680 20.529 0.706 695 H LYS 90 H LYS 90 4.708 20.001 -4.503 696 HA LYS 90 HA LYS 90 5.734 22.648 -3.817 697 1HB LYS 90 2HB LYS 90 6.785 22.029 -6.365 698 2HB LYS 90 1HB LYS 90 7.672 22.313 -4.876 699 1HG LYS 90 2HG LYS 90 8.463 20.261 -5.549 700 2HG LYS 90 1HG LYS 90 7.194 19.812 -4.406 701 1HD LYS 90 2HD LYS 90 6.479 18.490 -6.077 702 2HD LYS 90 1HD LYS 90 5.778 19.994 -6.708 703 1HE LYS 90 2HE LYS 90 8.385 20.078 -7.614 704 2HE LYS 90 1HE LYS 90 7.970 18.370 -7.750 705 1HZ LYS 90 1HZ LYS 90 7.328 20.335 -9.532 706 2HZ LYS 90 2HZ LYS 90 5.878 20.069 -8.704 707 3HZ LYS 90 3HZ LYS 90 6.658 18.782 -9.478 708 H ASP 91 H ASP 91 5.763 23.672 -6.376 709 HA ASP 91 HA ASP 91 3.578 24.850 -6.953 710 1HB ASP 91 2HB ASP 91 5.655 24.452 -8.469 711 2HB ASP 91 1HB ASP 91 4.600 23.299 -9.283 712 H ASP 92 H ASP 92 3.723 21.352 -7.486 713 HA ASP 92 HA ASP 92 1.130 20.755 -6.979 714 1HB ASP 92 2HB ASP 92 0.218 20.510 -9.395 715 2HB ASP 92 1HB ASP 92 0.166 22.100 -8.641 716 H GLY 93 H GLY 93 3.821 20.237 -9.140 717 1HA GLY 93 2HA GLY 93 3.200 17.486 -9.697 718 2HA GLY 93 1HA GLY 93 4.715 18.302 -10.046 719 H LEU 94 H LEU 94 2.844 16.794 -7.439 720 HA LEU 94 HA LEU 94 5.265 16.589 -5.840 721 1HB LEU 94 2HB LEU 94 3.891 15.969 -4.020 722 2HB LEU 94 1HB LEU 94 3.076 17.284 -4.840 723 HG LEU 94 HG LEU 94 2.252 14.571 -5.670 724 1HD1 LEU 94 1HD1 LEU 94 2.193 15.464 -2.864 725 2HD1 LEU 94 2HD1 LEU 94 2.143 13.836 -3.543 726 3HD1 LEU 94 3HD1 LEU 94 0.679 14.818 -3.501 727 1HD2 LEU 94 1HD2 LEU 94 0.480 16.783 -4.724 728 2HD2 LEU 94 2HD2 LEU 94 0.195 15.576 -5.977 729 3HD2 LEU 94 3HD2 LEU 94 1.295 16.919 -6.281 730 H HIS 95 H HIS 95 6.292 14.725 -5.308 731 HA HIS 95 HA HIS 95 5.314 12.260 -6.579 732 1HB HIS 95 2HB HIS 95 7.609 11.652 -7.135 733 2HB HIS 95 1HB HIS 95 7.199 13.204 -7.856 734 HD1 HIS 95 1HD HIS 95 9.822 11.613 -6.054 735 HD2 HIS 95 2HD HIS 95 8.178 15.430 -6.055 736 HE1 HIS 95 1HE HIS 95 11.563 13.095 -5.005 737 HE2 HIS 95 2HE HIS 95 10.510 15.383 -4.937 738 H LEU 96 H LEU 96 5.590 10.348 -5.488 739 HA LEU 96 HA LEU 96 6.440 10.635 -2.694 740 1HB LEU 96 2HB LEU 96 4.052 10.070 -3.110 741 2HB LEU 96 1HB LEU 96 4.579 8.568 -3.844 742 HG LEU 96 HG LEU 96 5.553 9.115 -1.102 743 1HD1 LEU 96 1HD1 LEU 96 2.948 7.842 -1.055 744 2HD1 LEU 96 2HD1 LEU 96 2.869 9.515 -1.604 745 3HD1 LEU 96 3HD1 LEU 96 3.595 9.133 -0.044 746 1HD2 LEU 96 1HD2 LEU 96 5.824 6.882 -1.032 747 2HD2 LEU 96 2HD2 LEU 96 5.706 7.004 -2.788 748 3HD2 LEU 96 3HD2 LEU 96 4.286 6.566 -1.837 749 H THR 97 H THR 97 7.855 9.175 -1.774 750 HA THR 97 HA THR 97 8.966 7.100 -3.542 751 HB THR 97 HB THR 97 10.769 8.312 -1.517 752 HG1 THR 97 1HG THR 97 9.908 9.650 -3.850 753 1HG2 THR 97 1HG2 THR 97 11.329 7.707 -4.397 754 2HG2 THR 97 2HG2 THR 97 11.404 6.478 -3.134 755 3HG2 THR 97 3HG2 THR 97 12.472 7.881 -3.066 756 H GLY 98 H GLY 98 8.658 5.198 -2.700 757 1HA GLY 98 2HA GLY 98 8.490 4.904 0.221 758 2HA GLY 98 1HA GLY 98 7.394 4.066 -0.855 759 H THR 99 H THR 99 9.220 3.028 1.193 760 HA THR 99 HA THR 99 10.925 1.314 -0.500 761 HB THR 99 HB THR 99 11.342 2.048 2.398 762 HG1 THR 99 1HG THR 99 12.788 2.943 0.130 763 1HG2 THR 99 1HG2 THR 99 12.506 0.084 2.193 764 2HG2 THR 99 2HG2 THR 99 13.729 1.268 1.733 765 3HG2 THR 99 3HG2 THR 99 12.876 0.352 0.491 766 H ALA 100 H ALA 100 10.897 -0.892 -0.174 767 HA ALA 100 HA ALA 100 9.174 -1.957 1.950 768 1HB ALA 100 1HB ALA 100 8.576 -3.684 -0.040 769 2HB ALA 100 2HB ALA 100 8.738 -2.185 -0.954 770 3HB ALA 100 3HB ALA 100 7.588 -2.285 0.379 771 H MET 101 H MET 101 10.015 -3.699 2.954 772 HA MET 101 HA MET 101 12.226 -5.159 1.657 773 1HB MET 101 2HB MET 101 12.987 -3.450 3.375 774 2HB MET 101 1HB MET 101 12.165 -4.419 4.588 775 1HG MET 101 2HG MET 101 13.612 -6.324 4.003 776 2HG MET 101 1HG MET 101 14.464 -5.291 2.858 777 1HE MET 101 1HE MET 101 17.029 -3.920 4.168 778 2HE MET 101 2HE MET 101 16.487 -5.396 3.370 779 3HE MET 101 3HE MET 101 17.254 -5.482 4.955 780 H GLY 102 H GLY 102 12.516 -7.398 2.389 781 1HA GLY 102 2HA GLY 102 11.771 -9.209 3.810 782 2HA GLY 102 1HA GLY 102 10.220 -8.404 3.954 783 H GLU 103 H GLU 103 12.308 -9.515 1.285 784 HA GLU 103 HA GLU 103 9.902 -10.573 -0.009 785 1HB GLU 103 2HB GLU 103 11.203 -8.977 -1.335 786 2HB GLU 103 1HB GLU 103 12.624 -9.988 -1.162 787 1HG GLU 103 2HG GLU 103 10.738 -11.712 -2.188 788 2HG GLU 103 1HG GLU 103 10.426 -10.194 -3.029 789 H GLU 104 H GLU 104 9.517 -12.643 0.235 790 HA GLU 104 HA GLU 104 11.251 -14.705 -0.443 791 1HB GLU 104 2HB GLU 104 11.652 -13.706 2.244 792 2HB GLU 104 1HB GLU 104 11.136 -15.385 2.279 793 1HG GLU 104 2HG GLU 104 12.968 -15.789 0.541 794 2HG GLU 104 1HG GLU 104 13.574 -14.200 1.008 795 H ILE 105 H ILE 105 8.991 -14.770 -1.368 796 HA ILE 105 HA ILE 105 6.841 -15.634 0.296 797 HB ILE 105 HB ILE 105 6.655 -14.461 -1.959 798 1HG1 ILE 105 2HG1 ILE 105 4.759 -15.489 -0.693 799 2HG1 ILE 105 1HG1 ILE 105 4.520 -15.458 -2.436 800 1HG2 ILE 105 1HG2 ILE 105 6.603 -15.823 -3.951 801 2HG2 ILE 105 2HG2 ILE 105 7.005 -17.262 -3.014 802 3HG2 ILE 105 3HG2 ILE 105 8.182 -15.959 -3.177 803 1HD1 ILE 105 1HD1 ILE 105 3.941 -17.593 -2.198 804 2HD1 ILE 105 2HD1 ILE 105 4.686 -17.712 -0.604 805 3HD1 ILE 105 3HD1 ILE 105 5.671 -17.905 -2.053 806 H LYS 106 H LYS 106 6.346 -17.613 0.987 807 HA LYS 106 HA LYS 106 7.876 -19.881 -0.091 808 1HB LYS 106 2HB LYS 106 7.002 -19.114 2.597 809 2HB LYS 106 1HB LYS 106 6.667 -20.795 2.210 810 1HG LYS 106 2HG LYS 106 9.301 -20.246 1.348 811 2HG LYS 106 1HG LYS 106 9.127 -19.589 2.976 812 1HD LYS 106 2HD LYS 106 9.724 -21.738 3.484 813 2HD LYS 106 1HD LYS 106 7.971 -21.923 3.416 814 1HE LYS 106 2HE LYS 106 9.518 -22.290 0.904 815 2HE LYS 106 1HE LYS 106 9.606 -23.560 2.125 816 1HZ LYS 106 1HZ LYS 106 7.305 -23.919 2.002 817 2HZ LYS 106 2HZ LYS 106 7.806 -23.783 0.392 818 3HZ LYS 106 3HZ LYS 106 7.027 -22.486 1.147 819 H GLU 107 H GLU 107 6.866 -21.696 -0.840 820 HA GLU 107 HA GLU 107 4.388 -21.523 -2.033 821 1HB GLU 107 2HB GLU 107 6.390 -23.372 -2.003 822 2HB GLU 107 1HB GLU 107 5.119 -24.235 -1.147 823 1HG GLU 107 2HG GLU 107 3.840 -24.455 -2.986 824 2HG GLU 107 1HG GLU 107 4.300 -22.879 -3.628 825 H GLY 108 H GLY 108 2.579 -20.990 -0.967 826 1HA GLY 108 2HA GLY 108 0.691 -21.397 0.304 827 2HA GLY 108 1HA GLY 108 1.430 -22.894 0.853 828 H HIS 109 H HIS 109 3.006 -19.786 1.163 829 HA HIS 109 HA HIS 109 3.224 -20.150 4.010 830 1HB HIS 109 2HB HIS 109 4.966 -19.117 2.381 831 2HB HIS 109 1HB HIS 109 4.023 -17.642 2.563 832 HD1 HIS 109 1HD HIS 109 6.786 -17.389 3.538 833 HD2 HIS 109 2HD HIS 109 3.774 -18.928 5.950 834 HE1 HIS 109 1HE HIS 109 7.593 -17.079 5.898 835 HE2 HIS 109 2HE HIS 109 5.712 -17.933 7.342 836 H GLU 110 H GLU 110 1.682 -19.594 5.384 837 HA GLU 110 HA GLU 110 -0.026 -18.486 6.398 838 1HB GLU 110 2HB GLU 110 1.077 -16.200 4.761 839 2HB GLU 110 1HB GLU 110 -0.178 -16.013 5.978 840 1HG GLU 110 2HG GLU 110 2.591 -17.072 6.497 841 2HG GLU 110 1HG GLU 110 2.058 -15.420 6.803 842 H ARG 111 H ARG 111 -2.021 -19.094 5.901 843 HA ARG 111 HA ARG 111 -3.067 -18.467 3.223 844 1HB ARG 111 2HB ARG 111 -4.088 -20.536 5.175 845 2HB ARG 111 1HB ARG 111 -4.607 -20.313 3.510 846 1HG ARG 111 2HG ARG 111 -1.895 -21.231 4.440 847 2HG ARG 111 1HG ARG 111 -3.138 -22.213 3.662 848 1HD ARG 111 2HD ARG 111 -1.847 -19.810 2.384 849 2HD ARG 111 1HD ARG 111 -1.286 -21.465 2.151 850 HE ARG 111 HE ARG 111 -3.603 -20.233 0.973 851 1HH1 ARG 111 1HH1 ARG 111 -2.121 -23.258 1.888 852 2HH1 ARG 111 2HH1 ARG 111 -3.029 -24.192 0.747 853 1HH2 ARG 111 1HH2 ARG 111 -4.800 -21.460 -0.527 854 2HH2 ARG 111 2HH2 ARG 111 -4.551 -23.171 -0.623 855 H ARG 112 H ARG 112 -4.714 -17.094 3.015 856 HA ARG 112 HA ARG 112 -6.657 -16.704 5.104 857 1HB ARG 112 2HB ARG 112 -4.404 -15.116 5.244 858 2HB ARG 112 1HB ARG 112 -5.537 -14.103 4.361 859 1HG ARG 112 2HG ARG 112 -7.198 -14.574 6.207 860 2HG ARG 112 1HG ARG 112 -5.851 -15.274 7.109 861 1HD ARG 112 2HD ARG 112 -4.822 -13.252 7.409 862 2HD ARG 112 1HD ARG 112 -5.505 -12.563 5.937 863 HE ARG 112 HE ARG 112 -7.315 -11.850 7.147 864 1HH1 ARG 112 1HH1 ARG 112 -5.523 -14.168 9.042 865 2HH1 ARG 112 2HH1 ARG 112 -6.436 -13.881 10.486 866 1HH2 ARG 112 1HH2 ARG 112 -8.517 -11.470 9.044 867 2HH2 ARG 112 2HH2 ARG 112 -8.137 -12.350 10.487 868 H ASP 113 H ASP 113 -7.986 -14.540 4.353 869 HA ASP 113 HA ASP 113 -8.879 -15.228 1.670 870 1HB ASP 113 2HB ASP 113 -10.036 -13.432 3.807 871 2HB ASP 113 1HB ASP 113 -10.754 -13.628 2.211 872 H GLU 114 H GLU 114 -8.432 -14.084 -0.090 873 HA GLU 114 HA GLU 114 -7.355 -11.362 0.241 874 1HB GLU 114 2HB GLU 114 -5.747 -13.242 -0.499 875 2HB GLU 114 1HB GLU 114 -6.598 -13.173 -2.036 876 1HG GLU 114 2HG GLU 114 -6.040 -10.753 -2.163 877 2HG GLU 114 1HG GLU 114 -5.057 -10.955 -0.713 878 H VAL 115 H VAL 115 -8.009 -9.786 -1.213 879 HA VAL 115 HA VAL 115 -10.564 -10.142 -2.417 880 HB VAL 115 HB VAL 115 -10.214 -7.853 -3.292 881 1HG1 VAL 115 1HG1 VAL 115 -10.009 -6.741 -1.067 882 2HG1 VAL 115 2HG1 VAL 115 -9.582 -8.309 -0.385 883 3HG1 VAL 115 3HG1 VAL 115 -11.170 -8.067 -1.114 884 1HG2 VAL 115 1HG2 VAL 115 -8.080 -7.332 -3.757 885 2HG2 VAL 115 2HG2 VAL 115 -7.443 -8.465 -2.566 886 3HG2 VAL 115 3HG2 VAL 115 -7.998 -6.871 -2.057 887 H LYS 116 H LYS 116 -10.794 -11.353 -4.181 888 HA LYS 116 HA LYS 116 -8.841 -12.063 -6.009 889 1HB LYS 116 2HB LYS 116 -11.804 -11.847 -6.549 890 2HB LYS 116 1HB LYS 116 -10.651 -12.834 -7.437 891 1HG LYS 116 2HG LYS 116 -10.681 -14.471 -5.907 892 2HG LYS 116 1HG LYS 116 -10.722 -13.343 -4.552 893 1HD LYS 116 2HD LYS 116 -13.042 -13.130 -4.642 894 2HD LYS 116 1HD LYS 116 -13.126 -13.735 -6.298 895 1HE LYS 116 2HE LYS 116 -13.030 -15.915 -5.653 896 2HE LYS 116 1HE LYS 116 -12.042 -15.565 -4.235 897 1HZ LYS 116 1HZ LYS 116 -13.843 -15.232 -2.951 898 2HZ LYS 116 2HZ LYS 116 -14.616 -16.200 -4.104 899 3HZ LYS 116 3HZ LYS 116 -14.750 -14.516 -4.187 900 H ALA 117 H ALA 117 -10.583 -9.092 -5.779 901 HA ALA 117 HA ALA 117 -9.245 -8.181 -8.219 902 1HB ALA 117 1HB ALA 117 -11.378 -8.670 -9.080 903 2HB ALA 117 2HB ALA 117 -11.358 -6.925 -8.830 904 3HB ALA 117 3HB ALA 117 -12.191 -7.973 -7.680 905 H VAL 118 H VAL 118 -8.195 -6.348 -7.896 906 HA VAL 118 HA VAL 118 -8.830 -4.734 -5.524 907 HB VAL 118 HB VAL 118 -6.504 -5.455 -5.730 908 1HG1 VAL 118 1HG1 VAL 118 -5.679 -3.803 -7.934 909 2HG1 VAL 118 2HG1 VAL 118 -6.887 -4.974 -8.460 910 3HG1 VAL 118 3HG1 VAL 118 -5.415 -5.525 -7.663 911 1HG2 VAL 118 1HG2 VAL 118 -7.370 -2.889 -5.226 912 2HG2 VAL 118 2HG2 VAL 118 -6.049 -2.650 -6.368 913 3HG2 VAL 118 3HG2 VAL 118 -5.768 -3.530 -4.865 914 H THR 119 H THR 119 -10.291 -3.210 -5.955 915 HA THR 119 HA THR 119 -9.996 -1.653 -8.438 916 HB THR 119 HB THR 119 -12.492 -2.204 -6.821 917 HG1 THR 119 1HG THR 119 -13.064 -3.499 -8.486 918 1HG2 THR 119 1HG2 THR 119 -13.716 -1.130 -8.640 919 2HG2 THR 119 2HG2 THR 119 -12.189 -0.658 -9.385 920 3HG2 THR 119 3HG2 THR 119 -12.644 0.001 -7.813 921 H PHE 120 H PHE 120 -9.600 0.474 -8.247 922 HA PHE 120 HA PHE 120 -9.130 1.618 -5.683 923 1HB PHE 120 2HB PHE 120 -8.673 3.705 -6.924 924 2HB PHE 120 1HB PHE 120 -7.824 2.333 -7.625 925 HD1 PHE 120 1HD PHE 120 -10.178 4.986 -8.187 926 HD2 PHE 120 2HD PHE 120 -8.726 1.295 -9.731 927 HE1 PHE 120 1HE PHE 120 -11.140 5.530 -10.384 928 HE2 PHE 120 2HE PHE 120 -9.690 1.832 -11.929 929 HZ PHE 120 HZ PHE 120 -10.898 3.952 -12.258 930 H HIS 121 H HIS 121 -11.387 1.021 -4.937 931 HA HIS 121 HA HIS 121 -13.655 2.288 -5.914 932 1HB HIS 121 2HB HIS 121 -13.144 0.500 -3.897 933 2HB HIS 121 1HB HIS 121 -13.718 1.913 -3.022 934 HD1 HIS 121 1HD HIS 121 -15.026 0.942 -6.414 935 HD2 HIS 121 2HD HIS 121 -16.215 0.875 -2.434 936 HE1 HIS 121 1HE HIS 121 -17.466 0.333 -6.452 937 HE2 HIS 121 2HE HIS 121 -18.144 0.221 -4.028 938 H MET 122 H MET 122 -11.411 3.353 -3.367 939 HA MET 122 HA MET 122 -12.589 6.035 -3.633 940 1HB MET 122 2HB MET 122 -12.060 4.429 -1.199 941 2HB MET 122 1HB MET 122 -11.636 6.134 -1.116 942 1HG MET 122 2HG MET 122 -13.751 6.507 -0.573 943 2HG MET 122 1HG MET 122 -14.145 6.155 -2.253 944 1HE MET 122 1HE MET 122 -16.923 4.781 -1.502 945 2HE MET 122 2HE MET 122 -16.241 3.402 -2.364 946 3HE MET 122 3HE MET 122 -15.775 5.042 -2.815 947 H MET 123 H MET 123 -9.755 4.474 -2.120 948 HA MET 123 HA MET 123 -7.573 5.157 -2.002 949 1HB MET 123 2HB MET 123 -8.167 5.545 -4.939 950 2HB MET 123 1HB MET 123 -6.548 5.549 -4.252 951 1HG MET 123 2HG MET 123 -7.870 3.203 -3.366 952 2HG MET 123 1HG MET 123 -8.113 3.345 -5.104 953 1HE MET 123 1HE MET 123 -5.381 1.308 -6.139 954 2HE MET 123 2HE MET 123 -7.111 1.572 -5.922 955 3HE MET 123 3HE MET 123 -6.195 0.685 -4.704 956 H GLU 124 H GLU 124 -9.094 7.128 -1.019 957 HA GLU 124 HA GLU 124 -7.795 9.554 -2.071 958 1HB GLU 124 2HB GLU 124 -9.895 10.771 -1.257 959 2HB GLU 124 1HB GLU 124 -10.030 9.843 -2.744 960 1HG GLU 124 2HG GLU 124 -11.106 8.033 -1.559 961 2HG GLU 124 1HG GLU 124 -10.891 8.876 -0.027 962 H ILE 125 H ILE 125 -7.132 11.071 -0.549 963 HA ILE 125 HA ILE 125 -7.125 10.066 2.216 964 HB ILE 125 HB ILE 125 -5.129 11.728 2.412 965 1HG1 ILE 125 2HG1 ILE 125 -5.158 11.169 -0.564 966 2HG1 ILE 125 1HG1 ILE 125 -5.389 12.741 0.195 967 1HG2 ILE 125 1HG2 ILE 125 -4.191 9.745 2.743 968 2HG2 ILE 125 2HG2 ILE 125 -3.877 9.661 1.009 969 3HG2 ILE 125 3HG2 ILE 125 -5.352 8.957 1.674 970 1HD1 ILE 125 1HD1 ILE 125 -3.155 12.874 0.856 971 2HD1 ILE 125 2HD1 ILE 125 -3.100 12.218 -0.780 972 3HD1 ILE 125 3HD1 ILE 125 -2.888 11.149 0.607 973 H LEU 126 H LEU 126 -8.504 11.086 3.470 974 HA LEU 126 HA LEU 126 -8.924 13.978 3.059 975 1HB LEU 126 2HB LEU 126 -11.027 13.542 4.483 976 2HB LEU 126 1HB LEU 126 -11.034 13.051 2.803 977 HG LEU 126 HG LEU 126 -12.070 11.428 4.415 978 1HD1 LEU 126 1HD1 LEU 126 -11.734 10.062 2.711 979 2HD1 LEU 126 2HD1 LEU 126 -10.171 9.628 3.400 980 3HD1 LEU 126 3HD1 LEU 126 -10.286 10.946 2.233 981 1HD2 LEU 126 1HD2 LEU 126 -9.273 10.671 5.174 982 2HD2 LEU 126 2HD2 LEU 126 -10.797 10.187 5.916 983 3HD2 LEU 126 3HD2 LEU 126 -10.198 11.832 6.125 984 H ASP 127 H ASP 127 -9.000 15.349 4.943 985 HA ASP 127 HA ASP 127 -7.514 14.165 7.188 986 1HB ASP 127 2HB ASP 127 -6.838 16.567 7.656 987 2HB ASP 127 1HB ASP 127 -6.176 15.841 6.195 988 H GLU 128 H GLU 128 -8.509 13.930 9.031 989 HA GLU 128 HA GLU 128 -10.682 15.771 9.774 990 1HB GLU 128 2HB GLU 128 -11.477 13.457 9.131 991 2HB GLU 128 1HB GLU 128 -10.574 12.841 10.509 992 1HG GLU 128 2HG GLU 128 -12.025 13.717 12.035 993 2HG GLU 128 1HG GLU 128 -12.524 15.032 10.971 994 H ASP 129 H ASP 129 -10.592 16.569 11.870 995 HA ASP 129 HA ASP 129 -9.680 17.083 13.915 996 1HB ASP 129 2HB ASP 129 -8.670 14.234 13.818 997 2HB ASP 129 1HB ASP 129 -8.835 15.235 15.260 998 H GLY 130 H GLY 130 -8.032 17.118 11.329 999 1HA GLY 130 2HA GLY 130 -5.944 18.100 10.927 1000 2HA GLY 130 1HA GLY 130 -5.515 17.814 12.610 1001 H LEU 131 H LEU 131 -6.845 15.036 11.539 1002 HA LEU 131 HA LEU 131 -4.237 13.841 10.920 1003 1HB LEU 131 2HB LEU 131 -6.308 13.109 12.705 1004 2HB LEU 131 1HB LEU 131 -6.322 11.917 11.419 1005 HG LEU 131 HG LEU 131 -3.723 12.602 12.711 1006 1HD1 LEU 131 1HD1 LEU 131 -5.258 10.388 13.909 1007 2HD1 LEU 131 2HD1 LEU 131 -5.762 12.018 14.351 1008 3HD1 LEU 131 3HD1 LEU 131 -4.102 11.498 14.643 1009 1HD2 LEU 131 1HD2 LEU 131 -3.264 11.084 11.095 1010 2HD2 LEU 131 2HD2 LEU 131 -4.906 10.433 11.098 1011 3HD2 LEU 131 3HD2 LEU 131 -3.764 9.941 12.346 1012 H ILE 132 H ILE 132 -4.031 12.481 9.118 1013 HA ILE 132 HA ILE 132 -6.121 12.873 7.091 1014 HB ILE 132 HB ILE 132 -3.824 11.502 6.044 1015 1HG1 ILE 132 2HG1 ILE 132 -3.266 14.058 7.580 1016 2HG1 ILE 132 1HG1 ILE 132 -2.485 12.494 7.787 1017 1HG2 ILE 132 1HG2 ILE 132 -5.594 12.957 4.921 1018 2HG2 ILE 132 2HG2 ILE 132 -3.925 13.149 4.382 1019 3HG2 ILE 132 3HG2 ILE 132 -4.642 14.337 5.471 1020 1HD1 ILE 132 1HD1 ILE 132 -1.385 12.704 5.673 1021 2HD1 ILE 132 2HD1 ILE 132 -1.094 14.168 6.613 1022 3HD1 ILE 132 3HD1 ILE 132 -2.277 14.178 5.303 1023 H LYS 133 H LYS 133 -7.068 11.160 6.008 1024 HA LYS 133 HA LYS 133 -6.305 8.488 6.938 1025 1HB LYS 133 2HB LYS 133 -8.934 9.830 7.175 1026 2HB LYS 133 1HB LYS 133 -8.967 8.154 6.653 1027 1HG LYS 133 2HG LYS 133 -8.677 7.459 8.730 1028 2HG LYS 133 1HG LYS 133 -7.193 8.400 8.874 1029 1HD LYS 133 2HD LYS 133 -9.590 10.047 9.030 1030 2HD LYS 133 1HD LYS 133 -9.528 8.811 10.288 1031 1HE LYS 133 2HE LYS 133 -6.958 9.805 10.252 1032 2HE LYS 133 1HE LYS 133 -7.946 11.237 9.966 1033 1HZ LYS 133 1HZ LYS 133 -8.030 11.227 12.204 1034 2HZ LYS 133 2HZ LYS 133 -7.742 9.566 12.337 1035 3HZ LYS 133 3HZ LYS 133 -9.292 10.126 11.958 1036 H ALA 134 H ALA 134 -6.293 6.951 5.424 1037 HA ALA 134 HA ALA 134 -7.115 7.693 2.691 1038 1HB ALA 134 1HB ALA 134 -4.744 7.344 2.829 1039 2HB ALA 134 2HB ALA 134 -5.455 5.988 1.952 1040 3HB ALA 134 3HB ALA 134 -4.973 5.794 3.638 1041 H ARG 135 H ARG 135 -8.479 6.348 1.540 1042 HA ARG 135 HA ARG 135 -9.275 3.830 2.839 1043 1HB ARG 135 2HB ARG 135 -11.639 4.549 1.812 1044 2HB ARG 135 1HB ARG 135 -11.151 4.921 3.465 1045 1HG ARG 135 2HG ARG 135 -11.042 7.122 3.068 1046 2HG ARG 135 1HG ARG 135 -10.324 6.903 1.466 1047 1HD ARG 135 2HD ARG 135 -12.297 7.302 0.528 1048 2HD ARG 135 1HD ARG 135 -12.986 5.923 1.384 1049 HE ARG 135 HE ARG 135 -12.792 8.422 2.863 1050 1HH1 ARG 135 1HH1 ARG 135 -14.806 6.227 1.037 1051 2HH1 ARG 135 2HH1 ARG 135 -16.285 6.888 1.643 1052 1HH2 ARG 135 1HH2 ARG 135 -14.738 9.286 3.657 1053 2HH2 ARG 135 2HH2 ARG 135 -16.249 8.621 3.129 1054 H VAL 136 H VAL 136 -9.096 2.154 1.528 1055 HA VAL 136 HA VAL 136 -9.793 2.524 -1.305 1056 HB VAL 136 HB VAL 136 -7.537 0.754 -0.362 1057 1HG1 VAL 136 1HG1 VAL 136 -7.912 -0.208 -2.350 1058 2HG1 VAL 136 2HG1 VAL 136 -7.188 1.246 -3.037 1059 3HG1 VAL 136 3HG1 VAL 136 -8.941 1.116 -2.897 1060 1HG2 VAL 136 1HG2 VAL 136 -6.252 2.564 -0.268 1061 2HG2 VAL 136 2HG2 VAL 136 -7.577 3.591 -0.816 1062 3HG2 VAL 136 3HG2 VAL 136 -6.530 2.801 -1.992 1063 H ILE 137 H ILE 137 -11.538 1.319 -1.690 1064 HA ILE 137 HA ILE 137 -11.963 -1.195 -0.308 1065 HB ILE 137 HB ILE 137 -13.983 -0.022 -2.152 1066 1HG1 ILE 137 2HG1 ILE 137 -13.215 0.967 0.560 1067 2HG1 ILE 137 1HG1 ILE 137 -13.684 1.861 -0.865 1068 1HG2 ILE 137 1HG2 ILE 137 -14.591 -1.351 0.429 1069 2HG2 ILE 137 2HG2 ILE 137 -14.000 -2.334 -0.909 1070 3HG2 ILE 137 3HG2 ILE 137 -15.472 -1.384 -1.096 1071 1HD1 ILE 137 1HD1 ILE 137 -15.992 1.288 -0.538 1072 2HD1 ILE 137 2HD1 ILE 137 -15.345 1.956 0.959 1073 3HD1 ILE 137 3HD1 ILE 137 -15.568 0.213 0.796 1074 H LEU 138 H LEU 138 -11.956 -3.062 -1.255 1075 HA LEU 138 HA LEU 138 -11.452 -3.154 -4.147 1076 1HB LEU 138 2HB LEU 138 -10.235 -5.009 -2.116 1077 2HB LEU 138 1HB LEU 138 -9.864 -4.916 -3.829 1078 HG LEU 138 HG LEU 138 -9.021 -3.110 -1.609 1079 1HD1 LEU 138 1HD1 LEU 138 -6.953 -3.182 -3.207 1080 2HD1 LEU 138 2HD1 LEU 138 -7.766 -4.608 -3.852 1081 3HD1 LEU 138 3HD1 LEU 138 -7.322 -4.542 -2.146 1082 1HD2 LEU 138 1HD2 LEU 138 -9.550 -1.266 -2.766 1083 2HD2 LEU 138 2HD2 LEU 138 -9.943 -2.178 -4.219 1084 3HD2 LEU 138 3HD2 LEU 138 -8.271 -1.736 -3.883 1085 H ASP 139 H ASP 139 -12.112 -5.002 -5.272 1086 HA ASP 139 HA ASP 139 -14.642 -5.973 -4.313 1087 1HB ASP 139 2HB ASP 139 -13.351 -5.656 -6.851 1088 2HB ASP 139 1HB ASP 139 -13.943 -7.307 -6.712 1089 H LEU 140 H LEU 140 -15.255 -7.973 -3.831 1090 HA LEU 140 HA LEU 140 -14.115 -9.665 -2.259 1091 1HB LEU 140 2HB LEU 140 -16.190 -9.913 -4.168 1092 2HB LEU 140 1HB LEU 140 -15.260 -11.398 -4.222 1093 HG LEU 140 HG LEU 140 -17.126 -11.592 -2.668 1094 1HD1 LEU 140 1HD1 LEU 140 -14.739 -12.569 -2.261 1095 2HD1 LEU 140 2HD1 LEU 140 -15.972 -12.677 -1.004 1096 3HD1 LEU 140 3HD1 LEU 140 -14.723 -11.436 -0.910 1097 1HD2 LEU 140 1HD2 LEU 140 -16.077 -9.015 -1.724 1098 2HD2 LEU 140 2HD2 LEU 140 -16.554 -10.141 -0.453 1099 3HD2 LEU 140 3HD2 LEU 140 -17.719 -9.658 -1.686 Start of MODEL 6 1 1H MET 1 1HT MET 1 -5.221 1.093 17.022 2 2H MET 1 2HT MET 1 -4.639 2.657 16.620 3 3H MET 1 3HT MET 1 -4.863 2.219 18.264 4 HA MET 1 HA MET 1 -2.542 2.224 17.395 5 1HB MET 1 2HB MET 1 -3.886 -0.106 18.755 6 2HB MET 1 1HB MET 1 -2.139 -0.029 18.570 7 1HG MET 1 2HG MET 1 -2.305 2.256 19.704 8 2HG MET 1 1HG MET 1 -3.934 1.760 20.164 9 1HE MET 1 1HE MET 1 -3.519 0.062 23.288 10 2HE MET 1 2HE MET 1 -4.463 0.971 22.109 11 3HE MET 1 3HE MET 1 -3.228 1.788 23.069 12 H LYS 2 H LYS 2 -4.018 1.687 14.987 13 HA LYS 2 HA LYS 2 -2.295 -0.403 13.887 14 1HB LYS 2 2HB LYS 2 -4.181 -1.311 12.555 15 2HB LYS 2 1HB LYS 2 -4.371 -1.558 14.285 16 1HG LYS 2 2HG LYS 2 -5.678 0.699 12.789 17 2HG LYS 2 1HG LYS 2 -6.440 -0.869 13.053 18 1HD LYS 2 2HD LYS 2 -5.636 -0.248 15.570 19 2HD LYS 2 1HD LYS 2 -5.988 1.355 14.922 20 1HE LYS 2 2HE LYS 2 -8.153 0.014 14.055 21 2HE LYS 2 1HE LYS 2 -7.802 -0.896 15.523 22 1HZ LYS 2 1HZ LYS 2 -9.331 0.953 15.914 23 2HZ LYS 2 2HZ LYS 2 -8.157 2.050 15.389 24 3HZ LYS 2 3HZ LYS 2 -7.896 1.139 16.790 25 H GLY 3 H GLY 3 -4.550 2.242 13.224 26 1HA GLY 3 2HA GLY 3 -4.184 4.047 11.784 27 2HA GLY 3 1HA GLY 3 -2.765 3.223 11.156 28 H PHE 4 H PHE 4 -4.865 0.826 10.950 29 HA PHE 4 HA PHE 4 -6.283 1.758 8.577 30 1HB PHE 4 2HB PHE 4 -5.054 0.635 7.089 31 2HB PHE 4 1HB PHE 4 -3.882 0.355 8.368 32 HD1 PHE 4 1HD PHE 4 -6.615 -1.095 6.418 33 HD2 PHE 4 2HD PHE 4 -3.715 -1.794 9.453 34 HE1 PHE 4 1HE PHE 4 -7.003 -3.516 6.226 35 HE2 PHE 4 2HE PHE 4 -4.096 -4.216 9.265 36 HZ PHE 4 HZ PHE 4 -5.744 -5.080 7.648 37 H GLU 5 H GLU 5 -8.243 0.744 8.233 38 HA GLU 5 HA GLU 5 -8.866 -1.686 9.715 39 1HB GLU 5 2HB GLU 5 -10.837 -0.756 10.786 40 2HB GLU 5 1HB GLU 5 -9.405 0.141 11.274 41 1HG GLU 5 2HG GLU 5 -9.983 1.997 9.975 42 2HG GLU 5 1HG GLU 5 -11.155 1.079 9.030 43 H PHE 6 H PHE 6 -10.786 -2.762 9.012 44 HA PHE 6 HA PHE 6 -11.689 -1.914 6.333 45 1HB PHE 6 2HB PHE 6 -12.270 -4.312 5.974 46 2HB PHE 6 1HB PHE 6 -10.550 -4.058 6.254 47 HD1 PHE 6 1HD PHE 6 -13.578 -5.629 7.440 48 HD2 PHE 6 2HD PHE 6 -9.557 -4.658 8.441 49 HE1 PHE 6 1HE PHE 6 -13.635 -7.283 9.260 50 HE2 PHE 6 2HE PHE 6 -9.608 -6.312 10.263 51 HZ PHE 6 HZ PHE 6 -11.649 -7.627 10.674 52 H PHE 7 H PHE 7 -13.960 -1.979 5.864 53 HA PHE 7 HA PHE 7 -15.607 -2.202 8.303 54 1HB PHE 7 2HB PHE 7 -17.114 -0.501 6.962 55 2HB PHE 7 1HB PHE 7 -15.760 0.038 7.946 56 HD1 PHE 7 1HD PHE 7 -15.894 -1.417 4.516 57 HD2 PHE 7 2HD PHE 7 -14.877 1.915 6.957 58 HE1 PHE 7 1HE PHE 7 -14.937 -0.297 2.560 59 HE2 PHE 7 2HE PHE 7 -13.917 3.061 5.000 60 HZ PHE 7 HZ PHE 7 -13.941 1.973 2.795 61 H ASP 8 H ASP 8 -17.583 -3.000 8.291 62 HA ASP 8 HA ASP 8 -19.058 -4.705 7.824 63 1HB ASP 8 2HB ASP 8 -19.729 -2.296 6.917 64 2HB ASP 8 1HB ASP 8 -19.809 -3.198 5.409 65 H VAL 9 H VAL 9 -16.500 -5.323 6.311 66 HA VAL 9 HA VAL 9 -17.751 -6.674 4.015 67 HB VAL 9 HB VAL 9 -15.800 -5.243 3.484 68 1HG1 VAL 9 1HG1 VAL 9 -14.085 -5.324 4.907 69 2HG1 VAL 9 2HG1 VAL 9 -13.606 -6.759 3.999 70 3HG1 VAL 9 3HG1 VAL 9 -14.527 -6.928 5.493 71 1HG2 VAL 9 1HG2 VAL 9 -16.525 -7.729 2.535 72 2HG2 VAL 9 2HG2 VAL 9 -14.770 -7.778 2.635 73 3HG2 VAL 9 3HG2 VAL 9 -15.566 -6.512 1.705 74 H THR 10 H THR 10 -17.344 -8.843 3.540 75 HA THR 10 HA THR 10 -17.375 -10.589 5.702 76 HB THR 10 HB THR 10 -16.527 -11.361 2.925 77 HG1 THR 10 1HG THR 10 -18.358 -10.253 2.548 78 1HG2 THR 10 1HG2 THR 10 -18.014 -13.349 3.475 79 2HG2 THR 10 2HG2 THR 10 -17.899 -12.816 5.153 80 3HG2 THR 10 3HG2 THR 10 -16.441 -13.263 4.267 81 H ALA 11 H ALA 11 -14.784 -9.458 3.683 82 HA ALA 11 HA ALA 11 -12.862 -10.173 5.684 83 1HB ALA 11 1HB ALA 11 -13.291 -12.264 4.222 84 2HB ALA 11 2HB ALA 11 -11.628 -11.781 4.557 85 3HB ALA 11 3HB ALA 11 -12.361 -11.397 3.000 86 H ASP 12 H ASP 12 -13.452 -9.125 2.359 87 HA ASP 12 HA ASP 12 -11.322 -7.111 2.772 88 1HB ASP 12 2HB ASP 12 -11.924 -7.866 0.027 89 2HB ASP 12 1HB ASP 12 -10.408 -7.392 0.756 90 H ALA 13 H ALA 13 -11.960 -5.180 2.731 91 HA ALA 13 HA ALA 13 -13.715 -4.157 0.693 92 1HB ALA 13 1HB ALA 13 -14.962 -2.806 2.470 93 2HB ALA 13 2HB ALA 13 -14.474 -4.097 3.563 94 3HB ALA 13 3HB ALA 13 -15.456 -4.463 2.141 95 H GLY 14 H GLY 14 -13.826 -1.734 0.801 96 1HA GLY 14 2HA GLY 14 -11.357 -0.565 0.766 97 2HA GLY 14 1HA GLY 14 -12.822 0.327 1.138 98 H PHE 15 H PHE 15 -9.888 0.039 2.254 99 HA PHE 15 HA PHE 15 -10.699 -0.314 5.050 100 1HB PHE 15 2HB PHE 15 -7.846 -0.095 4.142 101 2HB PHE 15 1HB PHE 15 -8.488 -0.877 5.580 102 HD1 PHE 15 1HD PHE 15 -8.907 -3.161 5.598 103 HD2 PHE 15 2HD PHE 15 -8.372 -1.161 1.881 104 HE1 PHE 15 1HE PHE 15 -8.885 -5.332 4.438 105 HE2 PHE 15 2HE PHE 15 -8.350 -3.326 0.715 106 HZ PHE 15 HZ PHE 15 -8.607 -5.416 1.993 107 H TRP 16 H TRP 16 -10.037 1.193 6.609 108 HA TRP 16 HA TRP 16 -9.592 3.863 5.448 109 1HB TRP 16 2HB TRP 16 -11.509 2.923 7.327 110 2HB TRP 16 1HB TRP 16 -10.408 3.982 8.201 111 HD1 TRP 16 HD TRP 16 -9.908 6.062 5.776 112 HE1 TRP 16 1HE TRP 16 -11.789 7.711 5.172 113 HE3 TRP 16 3HE TRP 16 -13.870 3.565 7.828 114 HZ2 TRP 16 2HZ TRP 16 -14.580 7.927 5.519 115 HZ3 TRP 16 3HZ TRP 16 -16.113 4.561 7.648 116 HH2 TRP 16 HH TRP 16 -16.458 6.698 6.517 117 H ALA 17 H ALA 17 -7.730 4.753 5.797 118 HA ALA 17 HA ALA 17 -6.095 3.836 8.056 119 1HB ALA 17 1HB ALA 17 -4.127 4.449 6.543 120 2HB ALA 17 2HB ALA 17 -5.295 4.423 5.222 121 3HB ALA 17 3HB ALA 17 -5.000 2.963 6.167 122 H TYR 18 H TYR 18 -4.456 5.348 8.726 123 HA TYR 18 HA TYR 18 -5.381 8.093 8.354 124 1HB TYR 18 2HB TYR 18 -4.701 6.843 10.993 125 2HB TYR 18 1HB TYR 18 -5.282 8.461 10.721 126 HD1 TYR 18 1HD TYR 18 -6.291 4.928 10.147 127 HD2 TYR 18 2HD TYR 18 -7.533 8.913 10.960 128 HE1 TYR 18 1HE TYR 18 -8.608 4.146 10.413 129 HE2 TYR 18 2HE TYR 18 -9.849 8.147 11.228 130 HH TYR 18 HH TYR 18 -10.868 5.012 10.311 131 H GLY 19 H GLY 19 -3.899 9.731 8.849 132 1HA GLY 19 2HA GLY 19 -1.071 8.884 8.660 133 2HA GLY 19 1HA GLY 19 -1.729 10.318 7.932 134 H HIS 20 H HIS 20 -0.496 11.677 8.761 135 HA HIS 20 HA HIS 20 -0.991 12.897 11.161 136 1HB HIS 20 2HB HIS 20 0.241 11.790 12.612 137 2HB HIS 20 1HB HIS 20 0.453 10.536 11.448 138 HD1 HIS 20 1HD HIS 20 2.762 9.916 11.015 139 HD2 HIS 20 2HD HIS 20 2.471 13.859 12.281 140 HE1 HIS 20 1HE HIS 20 5.116 10.766 11.064 141 HE2 HIS 20 2HE HIS 20 4.933 13.122 11.959 142 H ASP 21 H ASP 21 1.129 12.097 8.534 143 HA ASP 21 HA ASP 21 1.774 14.917 8.164 144 1HB ASP 21 2HB ASP 21 3.569 13.711 9.622 145 2HB ASP 21 1HB ASP 21 4.059 12.982 8.097 146 H LEU 22 H LEU 22 0.180 12.962 6.787 147 HA LEU 22 HA LEU 22 -0.359 12.481 4.631 148 1HB LEU 22 2HB LEU 22 2.287 13.718 3.860 149 2HB LEU 22 1HB LEU 22 0.961 13.336 2.782 150 HG LEU 22 HG LEU 22 0.094 15.101 4.909 151 1HD1 LEU 22 1HD1 LEU 22 1.439 17.015 3.574 152 2HD1 LEU 22 2HD1 LEU 22 2.635 15.720 3.558 153 3HD1 LEU 22 3HD1 LEU 22 1.987 16.304 5.091 154 1HD2 LEU 22 1HD2 LEU 22 0.168 16.038 2.124 155 2HD2 LEU 22 2HD2 LEU 22 -1.178 15.951 3.261 156 3HD2 LEU 22 3HD2 LEU 22 -0.674 14.509 2.381 157 H GLU 23 H GLU 23 3.155 12.061 5.039 158 HA GLU 23 HA GLU 23 3.353 9.705 3.549 159 1HB GLU 23 2HB GLU 23 5.013 10.843 5.789 160 2HB GLU 23 1HB GLU 23 5.417 9.305 5.039 161 1HG GLU 23 2HG GLU 23 6.186 10.268 3.161 162 2HG GLU 23 1HG GLU 23 4.957 11.531 3.178 163 H GLU 24 H GLU 24 2.364 10.318 6.829 164 HA GLU 24 HA GLU 24 2.569 7.716 7.857 165 1HB GLU 24 2HB GLU 24 2.304 9.714 9.251 166 2HB GLU 24 1HB GLU 24 0.657 9.897 8.667 167 1HG GLU 24 2HG GLU 24 0.381 8.848 10.714 168 2HG GLU 24 1HG GLU 24 0.292 7.518 9.564 169 H VAL 25 H VAL 25 -0.228 9.408 6.394 170 HA VAL 25 HA VAL 25 -2.024 7.260 6.771 171 HB VAL 25 HB VAL 25 -2.698 9.632 6.327 172 1HG1 VAL 25 1HG1 VAL 25 -3.002 10.229 3.904 173 2HG1 VAL 25 2HG1 VAL 25 -1.918 8.896 3.514 174 3HG1 VAL 25 3HG1 VAL 25 -1.339 10.248 4.484 175 1HG2 VAL 25 1HG2 VAL 25 -4.681 9.002 4.969 176 2HG2 VAL 25 2HG2 VAL 25 -4.348 7.893 6.300 177 3HG2 VAL 25 3HG2 VAL 25 -3.916 7.446 4.650 178 H PHE 26 H PHE 26 0.079 8.109 4.066 179 HA PHE 26 HA PHE 26 -0.966 6.214 2.249 180 1HB PHE 26 2HB PHE 26 1.615 7.725 2.445 181 2HB PHE 26 1HB PHE 26 1.410 6.480 1.217 182 HD1 PHE 26 1HD PHE 26 0.538 7.073 -0.822 183 HD2 PHE 26 2HD PHE 26 -0.312 9.496 2.566 184 HE1 PHE 26 1HE PHE 26 -0.616 8.691 -2.266 185 HE2 PHE 26 2HE PHE 26 -1.464 11.121 1.127 186 HZ PHE 26 HZ PHE 26 -1.618 10.719 -1.298 187 H GLU 27 H GLU 27 1.711 6.091 4.554 188 HA GLU 27 HA GLU 27 2.762 3.587 3.924 189 1HB GLU 27 2HB GLU 27 3.396 5.480 5.704 190 2HB GLU 27 1HB GLU 27 2.569 4.376 6.787 191 1HG GLU 27 2HG GLU 27 4.391 2.931 5.117 192 2HG GLU 27 1HG GLU 27 5.220 4.265 5.916 193 H ASN 28 H ASN 28 0.005 4.473 5.928 194 HA ASN 28 HA ASN 28 -0.519 1.844 6.893 195 1HB ASN 28 2HB ASN 28 -1.945 4.460 6.909 196 2HB ASN 28 1HB ASN 28 -2.909 3.010 7.171 197 1HD2 ASN 28 1HD2 ASN 28 -2.138 5.259 8.952 198 2HD2 ASN 28 2HD2 ASN 28 -1.429 4.509 10.338 199 H ALA 29 H ALA 29 -1.275 3.594 4.003 200 HA ALA 29 HA ALA 29 -3.486 2.098 3.078 201 1HB ALA 29 1HB ALA 29 -1.524 3.349 1.226 202 2HB ALA 29 2HB ALA 29 -2.436 4.373 2.329 203 3HB ALA 29 3HB ALA 29 -3.286 3.353 1.174 204 H ALA 30 H ALA 30 -0.012 1.629 2.867 205 HA ALA 30 HA ALA 30 -0.171 -0.529 0.994 206 1HB ALA 30 1HB ALA 30 1.860 0.781 1.174 207 2HB ALA 30 2HB ALA 30 2.195 -0.905 1.570 208 3HB ALA 30 3HB ALA 30 2.054 0.293 2.857 209 H LEU 31 H LEU 31 -0.554 -0.212 4.399 210 HA LEU 31 HA LEU 31 0.044 -2.914 5.101 211 1HB LEU 31 2HB LEU 31 -0.051 -0.767 6.573 212 2HB LEU 31 1HB LEU 31 -1.760 -1.140 6.703 213 HG LEU 31 HG LEU 31 -0.459 -1.978 8.618 214 1HD1 LEU 31 1HD1 LEU 31 -1.265 -4.480 7.290 215 2HD1 LEU 31 2HD1 LEU 31 -2.483 -3.206 7.346 216 3HD1 LEU 31 3HD1 LEU 31 -1.761 -3.801 8.841 217 1HD2 LEU 31 1HD2 LEU 31 1.134 -3.745 8.386 218 2HD2 LEU 31 2HD2 LEU 31 1.620 -2.428 7.318 219 3HD2 LEU 31 3HD2 LEU 31 0.833 -3.859 6.651 220 H ALA 32 H ALA 32 -2.862 -1.214 4.095 221 HA ALA 32 HA ALA 32 -4.826 -2.975 4.932 222 1HB ALA 32 1HB ALA 32 -4.622 -1.076 2.647 223 2HB ALA 32 2HB ALA 32 -5.701 -1.051 4.043 224 3HB ALA 32 3HB ALA 32 -5.995 -2.183 2.718 225 H MET 33 H MET 33 -3.104 -3.026 1.810 226 HA MET 33 HA MET 33 -4.341 -5.440 0.951 227 1HB MET 33 2HB MET 33 -3.004 -3.478 -0.325 228 2HB MET 33 1HB MET 33 -1.729 -4.684 -0.218 229 1HG MET 33 2HG MET 33 -4.323 -5.703 -1.132 230 2HG MET 33 1HG MET 33 -3.553 -4.538 -2.207 231 1HE MET 33 1HE MET 33 -4.411 -7.393 -2.743 232 2HE MET 33 2HE MET 33 -3.091 -8.453 -3.238 233 3HE MET 33 3HE MET 33 -3.397 -6.954 -4.118 234 H PHE 34 H PHE 34 -1.286 -4.695 2.547 235 HA PHE 34 HA PHE 34 -0.205 -7.316 2.274 236 1HB PHE 34 2HB PHE 34 0.573 -4.798 3.551 237 2HB PHE 34 1HB PHE 34 1.103 -6.226 4.435 238 HD1 PHE 34 1HD PHE 34 2.703 -7.763 3.475 239 HD2 PHE 34 2HD PHE 34 1.428 -4.305 1.347 240 HE1 PHE 34 1HE PHE 34 4.586 -8.033 1.913 241 HE2 PHE 34 2HE PHE 34 3.307 -4.570 -0.219 242 HZ PHE 34 HZ PHE 34 4.889 -6.436 0.064 243 H GLU 35 H GLU 35 -2.037 -5.690 4.843 244 HA GLU 35 HA GLU 35 -1.720 -7.553 6.870 245 1HB GLU 35 2HB GLU 35 -3.050 -5.290 6.796 246 2HB GLU 35 1HB GLU 35 -4.415 -6.332 6.417 247 1HG GLU 35 2HG GLU 35 -4.496 -6.066 8.732 248 2HG GLU 35 1HG GLU 35 -3.772 -7.655 8.492 249 H VAL 36 H VAL 36 -3.718 -7.675 4.010 250 HA VAL 36 HA VAL 36 -5.244 -9.959 4.799 251 HB VAL 36 HB VAL 36 -4.714 -8.998 1.986 252 1HG1 VAL 36 1HG1 VAL 36 -7.158 -10.392 3.038 253 2HG1 VAL 36 2HG1 VAL 36 -5.766 -11.276 2.413 254 3HG1 VAL 36 3HG1 VAL 36 -6.654 -10.171 1.362 255 1HG2 VAL 36 1HG2 VAL 36 -5.642 -7.081 2.747 256 2HG2 VAL 36 2HG2 VAL 36 -6.380 -7.866 4.144 257 3HG2 VAL 36 3HG2 VAL 36 -7.140 -7.991 2.557 258 H MET 37 H MET 37 -2.189 -9.406 3.214 259 HA MET 37 HA MET 37 -1.863 -12.076 2.235 260 1HB MET 37 2HB MET 37 -0.314 -9.585 2.266 261 2HB MET 37 1HB MET 37 0.672 -11.035 2.386 262 1HG MET 37 2HG MET 37 -1.439 -10.825 0.285 263 2HG MET 37 1HG MET 37 0.123 -10.037 0.062 264 1HE MET 37 1HE MET 37 2.145 -11.237 0.985 265 2HE MET 37 2HE MET 37 2.668 -12.292 -0.328 266 3HE MET 37 3HE MET 37 2.269 -12.976 1.248 267 H THR 38 H THR 38 -1.030 -10.326 5.138 268 HA THR 38 HA THR 38 -0.007 -10.914 7.083 269 HB THR 38 HB THR 38 -2.167 -12.233 7.051 270 HG1 THR 38 1HG THR 38 -1.523 -13.460 8.879 271 1HG2 THR 38 1HG2 THR 38 -0.365 -14.304 5.969 272 2HG2 THR 38 2HG2 THR 38 -2.097 -14.065 5.746 273 3HG2 THR 38 3HG2 THR 38 -1.492 -14.803 7.227 274 H ASP 39 H ASP 39 1.184 -13.026 8.151 275 HA ASP 39 HA ASP 39 2.951 -14.480 8.110 276 1HB ASP 39 2HB ASP 39 2.098 -15.119 5.784 277 2HB ASP 39 1HB ASP 39 3.304 -14.001 5.156 278 H THR 40 H THR 40 3.023 -11.268 6.973 279 HA THR 40 HA THR 40 5.842 -11.009 6.697 280 HB THR 40 HB THR 40 5.489 -8.784 6.226 281 HG1 THR 40 1HG THR 40 3.449 -8.901 8.173 282 1HG2 THR 40 1HG2 THR 40 2.627 -9.071 5.858 283 2HG2 THR 40 2HG2 THR 40 3.540 -10.428 5.199 284 3HG2 THR 40 3HG2 THR 40 3.904 -8.784 4.677 285 H SER 41 H SER 41 3.710 -11.081 9.384 286 HA SER 41 HA SER 41 5.269 -9.579 11.214 287 1HB SER 41 2HB SER 41 2.850 -10.120 11.516 288 2HB SER 41 1HB SER 41 3.305 -11.793 11.839 289 HG SER 41 HG SER 41 3.429 -11.083 13.822 290 H LEU 42 H LEU 42 6.043 -12.431 9.709 291 HA LEU 42 HA LEU 42 7.761 -13.244 11.963 292 1HB LEU 42 2HB LEU 42 6.339 -14.975 9.947 293 2HB LEU 42 1HB LEU 42 7.642 -15.563 10.962 294 HG LEU 42 HG LEU 42 5.952 -14.474 12.819 295 1HD1 LEU 42 1HD1 LEU 42 4.311 -14.136 10.911 296 2HD1 LEU 42 2HD1 LEU 42 3.716 -15.006 12.326 297 3HD1 LEU 42 3HD1 LEU 42 4.161 -15.894 10.868 298 1HD2 LEU 42 1HD2 LEU 42 7.100 -16.678 12.842 299 2HD2 LEU 42 2HD2 LEU 42 5.828 -17.305 11.793 300 3HD2 LEU 42 3HD2 LEU 42 5.434 -16.740 13.416 301 H VAL 43 H VAL 43 8.038 -11.548 9.378 302 HA VAL 43 HA VAL 43 10.458 -12.904 8.377 303 HB VAL 43 HB VAL 43 8.667 -10.997 6.882 304 1HG1 VAL 43 1HG1 VAL 43 11.359 -11.554 6.464 305 2HG1 VAL 43 2HG1 VAL 43 10.246 -10.800 5.325 306 3HG1 VAL 43 3HG1 VAL 43 10.506 -12.542 5.279 307 1HG2 VAL 43 1HG2 VAL 43 9.076 -13.929 6.353 308 2HG2 VAL 43 2HG2 VAL 43 7.895 -12.847 5.612 309 3HG2 VAL 43 3HG2 VAL 43 7.739 -13.292 7.312 310 H GLU 44 H GLU 44 12.340 -11.806 8.422 311 HA GLU 44 HA GLU 44 12.439 -9.340 9.889 312 1HB GLU 44 2HB GLU 44 14.578 -11.045 8.621 313 2HB GLU 44 1HB GLU 44 14.922 -9.568 9.509 314 1HG GLU 44 2HG GLU 44 14.802 -10.622 11.450 315 2HG GLU 44 1HG GLU 44 13.223 -11.298 11.053 316 H ALA 45 H ALA 45 14.320 -10.019 6.977 317 HA ALA 45 HA ALA 45 13.157 -8.235 5.195 318 1HB ALA 45 1HB ALA 45 13.808 -6.175 5.740 319 2HB ALA 45 2HB ALA 45 15.475 -6.695 5.985 320 3HB ALA 45 3HB ALA 45 14.309 -6.825 7.301 321 H ALA 46 H ALA 46 13.824 -9.469 3.537 322 HA ALA 46 HA ALA 46 16.546 -10.428 3.396 323 1HB ALA 46 1HB ALA 46 14.017 -11.216 2.298 324 2HB ALA 46 2HB ALA 46 15.523 -12.127 2.401 325 3HB ALA 46 3HB ALA 46 15.220 -11.078 1.016 326 H GLU 47 H GLU 47 14.416 -8.559 1.238 327 HA GLU 47 HA GLU 47 16.812 -7.166 0.230 328 1HB GLU 47 2HB GLU 47 14.446 -7.865 -1.480 329 2HB GLU 47 1HB GLU 47 16.013 -7.271 -1.988 330 1HG GLU 47 2HG GLU 47 15.821 -9.880 -0.569 331 2HG GLU 47 1HG GLU 47 15.372 -9.773 -2.262 332 H GLU 48 H GLU 48 16.588 -4.994 -0.182 333 HA GLU 48 HA GLU 48 13.934 -3.872 0.381 334 1HB GLU 48 2HB GLU 48 15.727 -3.471 2.150 335 2HB GLU 48 1HB GLU 48 16.527 -2.450 0.964 336 1HG GLU 48 2HG GLU 48 14.451 -1.088 0.832 337 2HG GLU 48 1HG GLU 48 13.797 -2.049 2.157 338 H ARG 49 H ARG 49 13.056 -2.803 -1.234 339 HA ARG 49 HA ARG 49 14.820 -1.589 -3.257 340 1HB ARG 49 2HB ARG 49 12.080 -2.732 -3.802 341 2HB ARG 49 1HB ARG 49 13.258 -2.172 -4.980 342 1HG ARG 49 2HG ARG 49 13.723 -4.515 -3.154 343 2HG ARG 49 1HG ARG 49 13.046 -4.654 -4.778 344 1HD ARG 49 2HD ARG 49 15.055 -3.668 -5.723 345 2HD ARG 49 1HD ARG 49 15.725 -3.441 -4.108 346 HE ARG 49 HE ARG 49 15.260 -6.101 -4.209 347 1HH1 ARG 49 1HH1 ARG 49 16.953 -3.898 -6.319 348 2HH1 ARG 49 2HH1 ARG 49 18.074 -5.094 -6.875 349 1HH2 ARG 49 1HH2 ARG 49 16.735 -7.677 -4.939 350 2HH2 ARG 49 2HH2 ARG 49 17.950 -7.240 -6.093 351 H ARG 50 H ARG 50 14.241 0.424 -4.053 352 HA ARG 50 HA ARG 50 12.227 1.827 -2.446 353 1HB ARG 50 2HB ARG 50 14.838 2.543 -3.522 354 2HB ARG 50 1HB ARG 50 13.612 3.746 -3.894 355 1HG ARG 50 2HG ARG 50 13.024 3.586 -1.385 356 2HG ARG 50 1HG ARG 50 14.614 2.838 -1.230 357 1HD ARG 50 2HD ARG 50 14.881 5.161 -2.845 358 2HD ARG 50 1HD ARG 50 13.956 5.595 -1.412 359 HE ARG 50 HE ARG 50 15.794 4.868 -0.063 360 1HH1 ARG 50 1HH1 ARG 50 16.498 5.043 -3.487 361 2HH1 ARG 50 2HH1 ARG 50 18.210 5.124 -3.249 362 1HH2 ARG 50 1HH2 ARG 50 18.043 4.970 0.235 363 2HH2 ARG 50 2HH2 ARG 50 19.086 5.082 -1.143 364 H VAL 51 H VAL 51 10.583 2.982 -3.353 365 HA VAL 51 HA VAL 51 10.216 2.684 -6.263 366 HB VAL 51 HB VAL 51 8.000 2.819 -4.216 367 1HG1 VAL 51 1HG1 VAL 51 7.012 3.469 -6.176 368 2HG1 VAL 51 2HG1 VAL 51 6.836 1.720 -6.305 369 3HG1 VAL 51 3HG1 VAL 51 8.130 2.542 -7.176 370 1HG2 VAL 51 1HG2 VAL 51 9.368 0.453 -5.463 371 2HG2 VAL 51 2HG2 VAL 51 7.720 0.361 -4.845 372 3HG2 VAL 51 3HG2 VAL 51 9.047 0.768 -3.758 373 H GLU 52 H GLU 52 9.311 4.429 -7.389 374 HA GLU 52 HA GLU 52 9.057 6.928 -5.870 375 1HB GLU 52 2HB GLU 52 10.892 6.288 -8.035 376 2HB GLU 52 1HB GLU 52 9.892 7.683 -8.412 377 1HG GLU 52 2HG GLU 52 11.557 8.772 -7.362 378 2HG GLU 52 1HG GLU 52 10.614 8.347 -5.933 379 H ILE 53 H ILE 53 7.463 8.320 -6.533 380 HA ILE 53 HA ILE 53 5.816 7.451 -8.785 381 HB ILE 53 HB ILE 53 4.296 8.331 -6.414 382 1HG1 ILE 53 2HG1 ILE 53 5.555 5.576 -6.557 383 2HG1 ILE 53 1HG1 ILE 53 5.930 6.809 -5.361 384 1HG2 ILE 53 1HG2 ILE 53 2.841 6.488 -7.240 385 2HG2 ILE 53 2HG2 ILE 53 4.023 6.228 -8.529 386 3HG2 ILE 53 3HG2 ILE 53 3.161 7.769 -8.413 387 1HD1 ILE 53 1HD1 ILE 53 4.399 5.845 -4.083 388 2HD1 ILE 53 2HD1 ILE 53 3.778 4.884 -5.425 389 3HD1 ILE 53 3HD1 ILE 53 3.193 6.529 -5.174 390 H THR 54 H THR 54 4.619 9.047 -9.796 391 HA THR 54 HA THR 54 5.139 11.788 -8.850 392 HB THR 54 HB THR 54 4.650 11.249 -11.744 393 HG1 THR 54 1HG THR 54 6.483 10.285 -12.033 394 1HG2 THR 54 1HG2 THR 54 5.052 13.437 -11.723 395 2HG2 THR 54 2HG2 THR 54 6.745 12.978 -11.541 396 3HG2 THR 54 3HG2 THR 54 5.784 13.384 -10.120 397 H SER 55 H SER 55 3.365 12.659 -8.131 398 HA SER 55 HA SER 55 0.817 12.150 -9.511 399 1HB SER 55 2HB SER 55 0.770 11.121 -7.301 400 2HB SER 55 1HB SER 55 1.291 12.631 -6.557 401 HG SER 55 HG SER 55 -1.171 12.059 -7.825 402 H GLU 56 H GLU 56 -0.762 13.992 -9.235 403 HA GLU 56 HA GLU 56 0.426 16.568 -8.652 404 1HB GLU 56 2HB GLU 56 -0.687 16.052 -11.409 405 2HB GLU 56 1HB GLU 56 0.047 17.539 -10.820 406 1HG GLU 56 2HG GLU 56 2.160 16.233 -10.474 407 2HG GLU 56 1HG GLU 56 1.387 14.907 -11.342 408 H ASP 57 H ASP 57 -1.477 15.553 -7.169 409 HA ASP 57 HA ASP 57 -3.572 17.403 -7.318 410 1HB ASP 57 2HB ASP 57 -3.975 15.543 -9.216 411 2HB ASP 57 1HB ASP 57 -4.771 14.747 -7.860 412 H ARG 58 H ARG 58 -1.753 15.447 -5.574 413 HA ARG 58 HA ARG 58 -1.785 14.699 -3.425 414 1HB ARG 58 2HB ARG 58 -3.260 16.962 -3.363 415 2HB ARG 58 1HB ARG 58 -4.470 15.804 -2.830 416 1HG ARG 58 2HG ARG 58 -3.481 15.483 -0.839 417 2HG ARG 58 1HG ARG 58 -1.852 15.578 -1.513 418 1HD ARG 58 2HD ARG 58 -1.835 17.916 -1.444 419 2HD ARG 58 1HD ARG 58 -3.587 18.013 -1.277 420 HE ARG 58 HE ARG 58 -1.659 17.641 0.824 421 1HH1 ARG 58 1HH1 ARG 58 -4.985 17.173 -0.127 422 2HH1 ARG 58 2HH1 ARG 58 -5.575 17.128 1.500 423 1HH2 ARG 58 1HH2 ARG 58 -2.433 17.580 2.964 424 2HH2 ARG 58 2HH2 ARG 58 -4.126 17.359 3.256 425 H VAL 59 H VAL 59 -5.269 14.678 -4.225 426 HA VAL 59 HA VAL 59 -5.864 12.251 -3.018 427 HB VAL 59 HB VAL 59 -7.853 12.159 -4.491 428 1HG1 VAL 59 1HG1 VAL 59 -8.144 13.444 -2.551 429 2HG1 VAL 59 2HG1 VAL 59 -8.729 14.471 -3.860 430 3HG1 VAL 59 3HG1 VAL 59 -7.134 14.755 -3.162 431 1HG2 VAL 59 1HG2 VAL 59 -8.071 14.345 -5.939 432 2HG2 VAL 59 2HG2 VAL 59 -7.287 12.904 -6.584 433 3HG2 VAL 59 3HG2 VAL 59 -6.312 14.237 -5.967 434 H SER 60 H SER 60 -4.856 12.921 -6.348 435 HA SER 60 HA SER 60 -5.083 10.273 -7.300 436 1HB SER 60 2HB SER 60 -4.885 12.248 -8.790 437 2HB SER 60 1HB SER 60 -3.217 12.463 -8.260 438 HG SER 60 HG SER 60 -2.856 10.286 -9.070 439 H LEU 61 H LEU 61 -2.523 11.997 -5.593 440 HA LEU 61 HA LEU 61 -0.411 10.237 -6.005 441 1HB LEU 61 2HB LEU 61 -0.565 12.483 -4.656 442 2HB LEU 61 1HB LEU 61 -0.889 11.423 -3.297 443 HG LEU 61 HG LEU 61 1.498 10.774 -4.931 444 1HD1 LEU 61 1HD1 LEU 61 2.091 12.758 -2.893 445 2HD1 LEU 61 2HD1 LEU 61 1.154 13.400 -4.241 446 3HD1 LEU 61 3HD1 LEU 61 2.697 12.602 -4.542 447 1HD2 LEU 61 1HD2 LEU 61 1.009 9.399 -3.054 448 2HD2 LEU 61 2HD2 LEU 61 0.825 10.800 -2.000 449 3HD2 LEU 61 3HD2 LEU 61 2.412 10.382 -2.642 450 H LEU 62 H LEU 62 -3.210 10.030 -3.914 451 HA LEU 62 HA LEU 62 -2.389 7.800 -2.380 452 1HB LEU 62 2HB LEU 62 -4.534 9.487 -2.327 453 2HB LEU 62 1HB LEU 62 -5.268 8.046 -3.003 454 HG LEU 62 HG LEU 62 -5.632 7.949 -0.648 455 1HD1 LEU 62 1HD1 LEU 62 -3.252 6.199 -1.285 456 2HD1 LEU 62 2HD1 LEU 62 -4.930 5.843 -1.706 457 3HD1 LEU 62 3HD1 LEU 62 -4.447 5.932 -0.012 458 1HD2 LEU 62 1HD2 LEU 62 -2.680 8.189 -0.133 459 2HD2 LEU 62 2HD2 LEU 62 -4.019 8.368 0.997 460 3HD2 LEU 62 3HD2 LEU 62 -3.717 9.612 -0.216 461 H TYR 63 H TYR 63 -4.371 8.096 -5.310 462 HA TYR 63 HA TYR 63 -4.920 5.417 -5.737 463 1HB TYR 63 2HB TYR 63 -6.000 7.147 -7.037 464 2HB TYR 63 1HB TYR 63 -4.464 7.629 -7.745 465 HD1 TYR 63 1HD TYR 63 -3.238 5.859 -9.179 466 HD2 TYR 63 2HD TYR 63 -7.353 5.596 -8.130 467 HE1 TYR 63 1HE TYR 63 -3.610 4.311 -11.052 468 HE2 TYR 63 2HE TYR 63 -7.734 4.045 -9.999 469 HH TYR 63 HH TYR 63 -6.512 3.615 -12.315 470 H ASP 64 H ASP 64 -2.019 7.242 -6.460 471 HA ASP 64 HA ASP 64 -0.826 5.142 -8.009 472 1HB ASP 64 2HB ASP 64 -0.380 7.854 -7.721 473 2HB ASP 64 1HB ASP 64 1.020 7.130 -6.936 474 H TRP 65 H TRP 65 -1.229 5.563 -4.675 475 HA TRP 65 HA TRP 65 1.287 4.535 -3.805 476 1HB TRP 65 2HB TRP 65 0.501 5.208 -1.819 477 2HB TRP 65 1HB TRP 65 -1.062 5.547 -2.558 478 HD1 TRP 65 HD TRP 65 0.791 2.733 -0.674 479 HE1 TRP 65 1HE TRP 65 -0.943 1.091 0.251 480 HE3 TRP 65 3HE TRP 65 -3.428 4.751 -2.706 481 HZ2 TRP 65 2HZ TRP 65 -3.748 0.726 0.184 482 HZ3 TRP 65 3HZ TRP 65 -5.585 3.724 -2.217 483 HH2 TRP 65 HH TRP 65 -5.750 1.741 -0.796 484 H LEU 66 H LEU 66 -1.955 3.086 -3.969 485 HA LEU 66 HA LEU 66 -1.007 0.482 -3.330 486 1HB LEU 66 2HB LEU 66 -3.451 1.759 -3.335 487 2HB LEU 66 1HB LEU 66 -3.617 0.593 -4.631 488 HG LEU 66 HG LEU 66 -2.932 0.005 -1.733 489 1HD1 LEU 66 1HD1 LEU 66 -5.179 -1.422 -2.766 490 2HD1 LEU 66 2HD1 LEU 66 -5.399 0.300 -3.077 491 3HD1 LEU 66 3HD1 LEU 66 -5.105 -0.269 -1.434 492 1HD2 LEU 66 1HD2 LEU 66 -1.758 -1.678 -2.713 493 2HD2 LEU 66 2HD2 LEU 66 -2.705 -1.634 -4.200 494 3HD2 LEU 66 3HD2 LEU 66 -3.360 -2.413 -2.759 495 H ASP 67 H ASP 67 -2.017 2.031 -6.364 496 HA ASP 67 HA ASP 67 -1.938 -0.161 -8.046 497 1HB ASP 67 2HB ASP 67 -1.885 2.693 -8.347 498 2HB ASP 67 1HB ASP 67 -0.706 1.987 -9.448 499 H GLU 68 H GLU 68 0.666 1.660 -6.618 500 HA GLU 68 HA GLU 68 2.784 0.551 -8.158 501 1HB GLU 68 2HB GLU 68 2.526 2.550 -6.246 502 2HB GLU 68 1HB GLU 68 3.486 1.325 -5.430 503 1HG GLU 68 2HG GLU 68 4.996 2.823 -6.458 504 2HG GLU 68 1HG GLU 68 5.021 1.336 -7.405 505 H LEU 69 H LEU 69 1.220 -0.251 -5.114 506 HA LEU 69 HA LEU 69 2.958 -2.405 -4.444 507 1HB LEU 69 2HB LEU 69 0.438 -1.262 -3.406 508 2HB LEU 69 1HB LEU 69 0.711 -2.958 -3.053 509 HG LEU 69 HG LEU 69 2.874 -2.374 -2.006 510 1HD1 LEU 69 1HD1 LEU 69 1.992 0.484 -2.370 511 2HD1 LEU 69 2HD1 LEU 69 3.256 -0.304 -3.314 512 3HD1 LEU 69 3HD1 LEU 69 3.460 -0.084 -1.575 513 1HD2 LEU 69 1HD2 LEU 69 1.873 -2.048 -0.025 514 2HD2 LEU 69 2HD2 LEU 69 0.378 -2.178 -0.951 515 3HD2 LEU 69 3HD2 LEU 69 1.043 -0.590 -0.569 516 H LEU 70 H LEU 70 0.007 -2.067 -6.275 517 HA LEU 70 HA LEU 70 -0.727 -4.783 -6.382 518 1HB LEU 70 2HB LEU 70 -1.687 -2.341 -7.397 519 2HB LEU 70 1HB LEU 70 -1.463 -3.390 -8.784 520 HG LEU 70 HG LEU 70 -3.120 -4.041 -6.345 521 1HD1 LEU 70 1HD1 LEU 70 -4.249 -2.375 -7.601 522 2HD1 LEU 70 2HD1 LEU 70 -4.995 -3.919 -8.012 523 3HD1 LEU 70 3HD1 LEU 70 -3.856 -3.166 -9.128 524 1HD2 LEU 70 1HD2 LEU 70 -2.634 -6.140 -7.019 525 2HD2 LEU 70 2HD2 LEU 70 -2.175 -5.630 -8.643 526 3HD2 LEU 70 3HD2 LEU 70 -3.878 -5.808 -8.222 527 H PHE 71 H PHE 71 1.030 -2.777 -8.745 528 HA PHE 71 HA PHE 71 1.578 -4.956 -10.489 529 1HB PHE 71 2HB PHE 71 1.871 -2.142 -10.545 530 2HB PHE 71 1HB PHE 71 3.468 -2.824 -10.840 531 HD1 PHE 71 1HD PHE 71 -0.062 -2.993 -11.977 532 HD2 PHE 71 2HD PHE 71 4.032 -3.641 -12.940 533 HE1 PHE 71 1HE PHE 71 -0.685 -3.427 -14.317 534 HE2 PHE 71 2HE PHE 71 3.417 -4.076 -15.282 535 HZ PHE 71 HZ PHE 71 1.056 -3.969 -15.973 536 H ILE 72 H ILE 72 3.617 -3.146 -8.200 537 HA ILE 72 HA ILE 72 6.001 -4.481 -8.608 538 HB ILE 72 HB ILE 72 5.661 -2.445 -7.178 539 1HG1 ILE 72 2HG1 ILE 72 7.196 -4.297 -5.460 540 2HG1 ILE 72 1HG1 ILE 72 7.648 -4.293 -7.162 541 1HG2 ILE 72 1HG2 ILE 72 3.796 -3.572 -5.845 542 2HG2 ILE 72 2HG2 ILE 72 4.959 -2.593 -4.951 543 3HG2 ILE 72 3HG2 ILE 72 5.089 -4.351 -4.933 544 1HD1 ILE 72 1HD1 ILE 72 7.422 -1.605 -6.441 545 2HD1 ILE 72 2HD1 ILE 72 8.898 -2.520 -6.751 546 3HD1 ILE 72 3HD1 ILE 72 8.265 -2.395 -5.109 547 H HIS 73 H HIS 73 3.224 -5.485 -6.693 548 HA HIS 73 HA HIS 73 4.314 -7.465 -5.124 549 1HB HIS 73 2HB HIS 73 1.709 -6.716 -5.977 550 2HB HIS 73 1HB HIS 73 1.847 -8.459 -6.188 551 HD1 HIS 73 1HD HIS 73 0.530 -9.296 -4.234 552 HD2 HIS 73 2HD HIS 73 3.332 -6.427 -3.147 553 HE1 HIS 73 1HE HIS 73 0.505 -9.250 -1.720 554 HE2 HIS 73 2HE HIS 73 2.139 -7.441 -1.088 555 H ASP 74 H ASP 74 3.062 -7.887 -8.450 556 HA ASP 74 HA ASP 74 4.051 -10.575 -8.594 557 1HB ASP 74 2HB ASP 74 2.085 -9.563 -9.929 558 2HB ASP 74 1HB ASP 74 3.321 -8.877 -10.979 559 H THR 75 H THR 75 5.226 -7.412 -9.488 560 HA THR 75 HA THR 75 7.399 -8.300 -11.064 561 HB THR 75 HB THR 75 7.726 -5.847 -9.416 562 HG1 THR 75 1HG THR 75 6.194 -4.734 -10.634 563 1HG2 THR 75 1HG2 THR 75 8.984 -6.745 -11.626 564 2HG2 THR 75 2HG2 THR 75 8.885 -5.049 -11.154 565 3HG2 THR 75 3HG2 THR 75 7.757 -5.699 -12.343 566 H GLU 76 H GLU 76 6.708 -8.410 -7.740 567 HA GLU 76 HA GLU 76 9.065 -9.859 -7.205 568 1HB GLU 76 2HB GLU 76 9.862 -8.335 -5.349 569 2HB GLU 76 1HB GLU 76 10.168 -7.766 -6.985 570 1HG GLU 76 2HG GLU 76 8.644 -6.067 -6.829 571 2HG GLU 76 1HG GLU 76 7.676 -6.900 -5.614 572 H PHE 77 H PHE 77 7.199 -11.209 -6.866 573 HA PHE 77 HA PHE 77 5.263 -10.965 -4.950 574 1HB PHE 77 2HB PHE 77 6.643 -13.198 -6.253 575 2HB PHE 77 1HB PHE 77 6.007 -13.605 -4.663 576 HD1 PHE 77 1HD PHE 77 5.257 -13.267 -8.101 577 HD2 PHE 77 2HD PHE 77 3.540 -12.981 -4.218 578 HE1 PHE 77 1HE PHE 77 3.016 -13.551 -9.075 579 HE2 PHE 77 2HE PHE 77 1.296 -13.265 -5.185 580 HZ PHE 77 HZ PHE 77 1.032 -13.550 -7.617 581 H ILE 78 H ILE 78 5.878 -9.875 -3.139 582 HA ILE 78 HA ILE 78 7.875 -11.169 -1.402 583 HB ILE 78 HB ILE 78 8.005 -8.967 -0.237 584 1HG1 ILE 78 2HG1 ILE 78 6.334 -8.037 -2.582 585 2HG1 ILE 78 1HG1 ILE 78 5.821 -8.074 -0.898 586 1HG2 ILE 78 1HG2 ILE 78 8.697 -8.190 -2.962 587 2HG2 ILE 78 2HG2 ILE 78 9.247 -9.809 -2.532 588 3HG2 ILE 78 3HG2 ILE 78 9.730 -8.425 -1.553 589 1HD1 ILE 78 1HD1 ILE 78 7.836 -6.284 -2.199 590 2HD1 ILE 78 2HD1 ILE 78 7.765 -6.497 -0.450 591 3HD1 ILE 78 3HD1 ILE 78 6.372 -5.849 -1.316 592 H LEU 79 H LEU 79 7.185 -12.134 0.379 593 HA LEU 79 HA LEU 79 4.429 -12.076 1.143 594 1HB LEU 79 2HB LEU 79 6.570 -13.157 2.925 595 2HB LEU 79 1HB LEU 79 4.940 -13.748 2.666 596 HG LEU 79 HG LEU 79 6.218 -14.026 0.188 597 1HD1 LEU 79 1HD1 LEU 79 8.079 -14.386 2.451 598 2HD1 LEU 79 2HD1 LEU 79 8.403 -14.001 0.761 599 3HD1 LEU 79 3HD1 LEU 79 8.062 -15.664 1.237 600 1HD2 LEU 79 1HD2 LEU 79 5.162 -15.758 2.336 601 2HD2 LEU 79 2HD2 LEU 79 6.225 -16.523 1.155 602 3HD2 LEU 79 3HD2 LEU 79 4.760 -15.702 0.621 603 H PHE 80 H PHE 80 7.414 -10.743 2.484 604 HA PHE 80 HA PHE 80 5.784 -9.172 4.370 605 1HB PHE 80 2HB PHE 80 7.057 -10.432 5.821 606 2HB PHE 80 1HB PHE 80 8.392 -10.577 4.694 607 HD1 PHE 80 1HD PHE 80 6.886 -8.546 7.330 608 HD2 PHE 80 2HD PHE 80 10.082 -8.845 4.544 609 HE1 PHE 80 1HE PHE 80 8.095 -6.779 8.536 610 HE2 PHE 80 2HE PHE 80 11.300 -7.079 5.742 611 HZ PHE 80 HZ PHE 80 10.307 -6.043 7.744 612 H SER 81 H SER 81 6.164 -6.992 4.536 613 HA SER 81 HA SER 81 8.421 -5.844 3.183 614 1HB SER 81 2HB SER 81 6.467 -6.237 1.493 615 2HB SER 81 1HB SER 81 5.769 -4.812 2.264 616 HG SER 81 HG SER 81 8.199 -5.035 0.842 617 H LYS 82 H LYS 82 9.110 -4.067 4.161 618 HA LYS 82 HA LYS 82 7.514 -2.942 6.318 619 1HB LYS 82 2HB LYS 82 9.537 -1.665 6.866 620 2HB LYS 82 1HB LYS 82 9.905 -3.378 6.714 621 1HG LYS 82 2HG LYS 82 10.834 -3.017 4.510 622 2HG LYS 82 1HG LYS 82 10.390 -1.310 4.580 623 1HD LYS 82 2HD LYS 82 12.744 -1.574 5.094 624 2HD LYS 82 1HD LYS 82 11.873 -1.029 6.529 625 1HE LYS 82 2HE LYS 82 12.102 -3.948 6.212 626 2HE LYS 82 1HE LYS 82 13.619 -3.096 6.497 627 1HZ LYS 82 1HZ LYS 82 11.395 -2.352 8.212 628 2HZ LYS 82 2HZ LYS 82 13.029 -2.564 8.590 629 3HZ LYS 82 3HZ LYS 82 12.014 -3.909 8.444 630 H PHE 83 H PHE 83 6.563 -0.909 6.233 631 HA PHE 83 HA PHE 83 6.687 0.353 3.582 632 1HB PHE 83 2HB PHE 83 4.592 0.919 5.659 633 2HB PHE 83 1HB PHE 83 4.504 1.145 3.915 634 HD1 PHE 83 1HD PHE 83 4.166 -0.768 2.431 635 HD2 PHE 83 2HD PHE 83 4.161 -1.205 6.664 636 HE1 PHE 83 1HE PHE 83 3.114 -2.978 2.197 637 HE2 PHE 83 2HE PHE 83 3.108 -3.417 6.437 638 HZ PHE 83 HZ PHE 83 2.584 -4.306 4.202 639 H LYS 84 H LYS 84 7.704 2.079 3.298 640 HA LYS 84 HA LYS 84 7.779 4.167 5.338 641 1HB LYS 84 2HB LYS 84 10.006 3.985 5.605 642 2HB LYS 84 1HB LYS 84 10.041 2.628 4.492 643 1HG LYS 84 2HG LYS 84 10.522 4.011 2.654 644 2HG LYS 84 1HG LYS 84 10.098 5.476 3.544 645 1HD LYS 84 2HD LYS 84 12.044 4.548 5.134 646 2HD LYS 84 1HD LYS 84 12.584 3.868 3.598 647 1HE LYS 84 2HE LYS 84 12.469 6.113 2.591 648 2HE LYS 84 1HE LYS 84 11.987 6.773 4.153 649 1HZ LYS 84 1HZ LYS 84 14.117 5.907 5.051 650 2HZ LYS 84 2HZ LYS 84 14.313 7.114 3.882 651 3HZ LYS 84 3HZ LYS 84 14.578 5.494 3.475 652 H VAL 85 H VAL 85 6.707 5.837 4.375 653 HA VAL 85 HA VAL 85 6.990 6.035 1.456 654 HB VAL 85 HB VAL 85 4.805 6.135 1.255 655 1HG1 VAL 85 1HG1 VAL 85 4.926 4.721 3.359 656 2HG1 VAL 85 2HG1 VAL 85 3.374 5.465 2.984 657 3HG1 VAL 85 3HG1 VAL 85 4.410 6.165 4.227 658 1HG2 VAL 85 1HG2 VAL 85 4.810 8.380 3.257 659 2HG2 VAL 85 2HG2 VAL 85 3.462 7.939 2.211 660 3HG2 VAL 85 3HG2 VAL 85 4.964 8.535 1.507 661 H LYS 86 H LYS 86 7.174 7.971 0.446 662 HA LYS 86 HA LYS 86 7.961 10.273 2.099 663 1HB LYS 86 2HB LYS 86 9.753 8.721 0.821 664 2HB LYS 86 1HB LYS 86 9.332 9.808 -0.492 665 1HG LYS 86 2HG LYS 86 9.968 11.728 0.853 666 2HG LYS 86 1HG LYS 86 10.324 10.670 2.220 667 1HD LYS 86 2HD LYS 86 11.924 9.493 0.525 668 2HD LYS 86 1HD LYS 86 11.813 11.024 -0.346 669 1HE LYS 86 2HE LYS 86 12.322 11.240 2.546 670 2HE LYS 86 1HE LYS 86 13.619 10.509 1.600 671 1HZ LYS 86 1HZ LYS 86 14.126 12.736 1.504 672 2HZ LYS 86 2HZ LYS 86 12.510 13.230 1.435 673 3HZ LYS 86 3HZ LYS 86 13.242 12.543 0.073 674 H ILE 87 H ILE 87 7.082 12.199 1.453 675 HA ILE 87 HA ILE 87 5.937 12.318 -1.256 676 HB ILE 87 HB ILE 87 4.610 13.541 1.167 677 1HG1 ILE 87 2HG1 ILE 87 4.030 11.007 -0.372 678 2HG1 ILE 87 1HG1 ILE 87 4.267 11.191 1.362 679 1HG2 ILE 87 1HG2 ILE 87 2.766 13.958 -0.422 680 2HG2 ILE 87 2HG2 ILE 87 3.777 13.326 -1.723 681 3HG2 ILE 87 3HG2 ILE 87 4.252 14.796 -0.871 682 1HD1 ILE 87 1HD1 ILE 87 1.923 10.788 0.762 683 2HD1 ILE 87 2HD1 ILE 87 1.920 12.276 -0.187 684 3HD1 ILE 87 3HD1 ILE 87 2.150 12.344 1.561 685 H ASP 88 H ASP 88 6.536 14.056 -2.409 686 HA ASP 88 HA ASP 88 7.587 16.387 -0.955 687 1HB ASP 88 2HB ASP 88 8.878 14.898 -3.237 688 2HB ASP 88 1HB ASP 88 9.325 16.548 -2.814 689 H GLU 89 H GLU 89 6.597 18.186 -1.528 690 HA GLU 89 HA GLU 89 5.288 18.331 -4.170 691 1HB GLU 89 2HB GLU 89 4.778 19.906 -1.631 692 2HB GLU 89 1HB GLU 89 3.959 20.183 -3.162 693 1HG GLU 89 2HG GLU 89 3.500 17.548 -2.829 694 2HG GLU 89 1HG GLU 89 3.554 18.085 -1.152 695 H LYS 90 H LYS 90 6.389 19.347 -5.615 696 HA LYS 90 HA LYS 90 7.825 21.800 -4.871 697 1HB LYS 90 2HB LYS 90 9.155 20.590 -7.088 698 2HB LYS 90 1HB LYS 90 9.798 20.959 -5.495 699 1HG LYS 90 2HG LYS 90 10.189 18.669 -5.845 700 2HG LYS 90 1HG LYS 90 8.825 18.760 -4.727 701 1HD LYS 90 2HD LYS 90 7.709 17.430 -6.124 702 2HD LYS 90 1HD LYS 90 7.666 18.780 -7.261 703 1HE LYS 90 2HE LYS 90 8.856 17.542 -8.672 704 2HE LYS 90 1HE LYS 90 10.207 17.641 -7.543 705 1HZ LYS 90 1HZ LYS 90 9.150 15.666 -6.403 706 2HZ LYS 90 2HZ LYS 90 9.858 15.371 -7.912 707 3HZ LYS 90 3HZ LYS 90 8.177 15.503 -7.779 708 H ASP 91 H ASP 91 8.665 22.587 -7.341 709 HA ASP 91 HA ASP 91 6.293 23.633 -8.466 710 1HB ASP 91 2HB ASP 91 9.188 23.678 -9.211 711 2HB ASP 91 1HB ASP 91 7.991 24.252 -10.367 712 H ASP 92 H ASP 92 7.016 20.540 -8.564 713 HA ASP 92 HA ASP 92 6.405 20.200 -11.424 714 1HB ASP 92 2HB ASP 92 8.396 19.018 -9.916 715 2HB ASP 92 1HB ASP 92 7.144 17.780 -9.957 716 H GLY 93 H GLY 93 5.171 19.870 -8.255 717 1HA GLY 93 2HA GLY 93 2.674 19.631 -8.284 718 2HA GLY 93 1HA GLY 93 2.951 18.203 -9.266 719 H LEU 94 H LEU 94 3.214 16.313 -8.298 720 HA LEU 94 HA LEU 94 3.803 16.273 -5.429 721 1HB LEU 94 2HB LEU 94 1.381 15.386 -6.828 722 2HB LEU 94 1HB LEU 94 2.032 14.225 -5.694 723 HG LEU 94 HG LEU 94 0.257 15.699 -4.783 724 1HD1 LEU 94 1HD1 LEU 94 1.352 14.840 -3.014 725 2HD1 LEU 94 2HD1 LEU 94 1.892 16.506 -2.816 726 3HD1 LEU 94 3HD1 LEU 94 2.936 15.332 -3.619 727 1HD2 LEU 94 1HD2 LEU 94 0.454 17.960 -4.569 728 2HD2 LEU 94 2HD2 LEU 94 1.328 17.720 -6.081 729 3HD2 LEU 94 3HD2 LEU 94 2.216 17.918 -4.570 730 H HIS 95 H HIS 95 5.202 14.722 -4.813 731 HA HIS 95 HA HIS 95 5.741 12.500 -6.674 732 1HB HIS 95 2HB HIS 95 7.512 14.573 -6.166 733 2HB HIS 95 1HB HIS 95 8.057 13.302 -5.077 734 HD1 HIS 95 1HD HIS 95 9.222 11.295 -6.105 735 HD2 HIS 95 2HD HIS 95 7.668 13.909 -8.936 736 HE1 HIS 95 1HE HIS 95 10.157 10.532 -8.310 737 HE2 HIS 95 2HE HIS 95 9.128 12.071 -10.019 738 H LEU 96 H LEU 96 6.120 10.513 -5.747 739 HA LEU 96 HA LEU 96 5.940 10.391 -2.814 740 1HB LEU 96 2HB LEU 96 3.835 9.776 -4.232 741 2HB LEU 96 1HB LEU 96 4.702 8.284 -4.531 742 HG LEU 96 HG LEU 96 3.851 9.343 -1.838 743 1HD1 LEU 96 1HD1 LEU 96 2.087 7.959 -1.934 744 2HD1 LEU 96 2HD1 LEU 96 2.995 6.693 -2.759 745 3HD1 LEU 96 3HD1 LEU 96 2.334 8.045 -3.678 746 1HD2 LEU 96 1HD2 LEU 96 5.680 7.142 -2.647 747 2HD2 LEU 96 2HD2 LEU 96 4.636 6.914 -1.245 748 3HD2 LEU 96 3HD2 LEU 96 5.784 8.252 -1.283 749 H THR 97 H THR 97 7.455 9.180 -1.847 750 HA THR 97 HA THR 97 8.921 7.221 -3.499 751 HB THR 97 HB THR 97 10.453 8.394 -1.284 752 HG1 THR 97 1HG THR 97 9.584 9.992 -3.449 753 1HG2 THR 97 1HG2 THR 97 12.057 7.528 -2.529 754 2HG2 THR 97 2HG2 THR 97 11.761 8.805 -3.709 755 3HG2 THR 97 3HG2 THR 97 10.942 7.251 -3.867 756 H GLY 98 H GLY 98 8.669 5.243 -2.735 757 1HA GLY 98 2HA GLY 98 8.293 4.884 0.165 758 2HA GLY 98 1HA GLY 98 7.336 3.994 -1.001 759 H THR 99 H THR 99 9.121 3.039 1.146 760 HA THR 99 HA THR 99 11.053 1.517 -0.485 761 HB THR 99 HB THR 99 11.277 2.171 2.453 762 HG1 THR 99 1HG THR 99 12.940 3.622 1.681 763 1HG2 THR 99 1HG2 THR 99 13.756 1.659 1.117 764 2HG2 THR 99 2HG2 THR 99 12.659 0.294 0.907 765 3HG2 THR 99 3HG2 THR 99 13.057 0.865 2.528 766 H ALA 100 H ALA 100 11.207 -0.687 -0.218 767 HA ALA 100 HA ALA 100 9.513 -1.978 1.794 768 1HB ALA 100 1HB ALA 100 7.958 -2.316 0.201 769 2HB ALA 100 2HB ALA 100 9.034 -3.622 -0.296 770 3HB ALA 100 3HB ALA 100 9.101 -2.063 -1.118 771 H MET 101 H MET 101 10.426 -3.741 2.694 772 HA MET 101 HA MET 101 12.793 -4.935 1.385 773 1HB MET 101 2HB MET 101 13.178 -3.427 3.460 774 2HB MET 101 1HB MET 101 12.484 -4.759 4.373 775 1HG MET 101 2HG MET 101 14.241 -6.203 3.816 776 2HG MET 101 1HG MET 101 14.799 -5.156 2.515 777 1HE MET 101 1HE MET 101 17.287 -4.353 3.043 778 2HE MET 101 2HE MET 101 17.062 -5.957 3.742 779 3HE MET 101 3HE MET 101 17.885 -4.699 4.666 780 H GLY 102 H GLY 102 13.045 -7.209 1.587 781 1HA GLY 102 2HA GLY 102 12.350 -9.286 2.670 782 2HA GLY 102 1HA GLY 102 10.756 -8.578 2.868 783 H GLU 103 H GLU 103 13.064 -9.773 0.506 784 HA GLU 103 HA GLU 103 10.832 -10.191 -1.355 785 1HB GLU 103 2HB GLU 103 12.796 -8.595 -1.915 786 2HB GLU 103 1HB GLU 103 13.698 -10.079 -2.192 787 1HG GLU 103 2HG GLU 103 11.156 -10.171 -3.536 788 2HG GLU 103 1HG GLU 103 12.066 -8.734 -3.998 789 H GLU 104 H GLU 104 11.041 -12.047 -2.809 790 HA GLU 104 HA GLU 104 11.701 -14.195 -3.382 791 1HB GLU 104 2HB GLU 104 13.838 -13.738 -1.996 792 2HB GLU 104 1HB GLU 104 13.003 -14.587 -0.702 793 1HG GLU 104 2HG GLU 104 12.657 -16.360 -2.671 794 2HG GLU 104 1HG GLU 104 14.159 -15.615 -3.215 795 H ILE 105 H ILE 105 9.511 -14.646 -3.327 796 HA ILE 105 HA ILE 105 8.111 -15.271 -0.924 797 HB ILE 105 HB ILE 105 7.033 -14.447 -3.041 798 1HG1 ILE 105 2HG1 ILE 105 5.724 -17.035 -2.330 799 2HG1 ILE 105 1HG1 ILE 105 5.963 -15.840 -1.060 800 1HG2 ILE 105 1HG2 ILE 105 8.343 -16.071 -4.487 801 2HG2 ILE 105 2HG2 ILE 105 6.630 -15.878 -4.864 802 3HG2 ILE 105 3HG2 ILE 105 7.185 -17.297 -3.974 803 1HD1 ILE 105 1HD1 ILE 105 4.573 -14.285 -2.109 804 2HD1 ILE 105 2HD1 ILE 105 3.741 -15.830 -2.288 805 3HD1 ILE 105 3HD1 ILE 105 4.629 -15.143 -3.648 806 H LYS 106 H LYS 106 7.689 -17.211 0.018 807 HA LYS 106 HA LYS 106 9.223 -19.500 -0.972 808 1HB LYS 106 2HB LYS 106 8.708 -18.448 1.613 809 2HB LYS 106 1HB LYS 106 7.939 -20.027 1.537 810 1HG LYS 106 2HG LYS 106 10.076 -20.468 2.341 811 2HG LYS 106 1HG LYS 106 10.175 -20.870 0.626 812 1HD LYS 106 2HD LYS 106 11.505 -19.069 0.141 813 2HD LYS 106 1HD LYS 106 10.856 -18.098 1.463 814 1HE LYS 106 2HE LYS 106 12.533 -18.701 2.792 815 2HE LYS 106 1HE LYS 106 12.191 -20.407 2.517 816 1HZ LYS 106 1HZ LYS 106 14.232 -20.354 1.608 817 2HZ LYS 106 2HZ LYS 106 14.184 -18.695 1.282 818 3HZ LYS 106 3HZ LYS 106 13.411 -19.783 0.242 819 H GLU 107 H GLU 107 8.299 -21.411 -1.561 820 HA GLU 107 HA GLU 107 5.680 -21.428 -2.533 821 1HB GLU 107 2HB GLU 107 7.754 -23.521 -2.054 822 2HB GLU 107 1HB GLU 107 6.112 -24.038 -2.414 823 1HG GLU 107 2HG GLU 107 6.447 -23.702 -4.570 824 2HG GLU 107 1HG GLU 107 6.854 -22.013 -4.270 825 H GLY 108 H GLY 108 3.762 -21.766 -1.613 826 1HA GLY 108 2HA GLY 108 2.178 -22.201 -0.009 827 2HA GLY 108 1HA GLY 108 3.172 -23.590 0.406 828 H HIS 109 H HIS 109 4.075 -20.189 0.656 829 HA HIS 109 HA HIS 109 4.823 -20.582 3.419 830 1HB HIS 109 2HB HIS 109 6.116 -19.222 1.665 831 2HB HIS 109 1HB HIS 109 4.903 -17.972 1.918 832 HD1 HIS 109 1HD HIS 109 7.615 -17.093 2.594 833 HD2 HIS 109 2HD HIS 109 5.280 -19.165 5.336 834 HE1 HIS 109 1HE HIS 109 8.572 -16.533 4.851 835 HE2 HIS 109 2HE HIS 109 7.204 -17.875 6.486 836 H GLU 110 H GLU 110 3.134 -20.665 4.790 837 HA GLU 110 HA GLU 110 1.355 -20.002 6.038 838 1HB GLU 110 2HB GLU 110 2.565 -17.462 5.113 839 2HB GLU 110 1HB GLU 110 0.920 -17.355 5.724 840 1HG GLU 110 2HG GLU 110 3.335 -18.393 7.183 841 2HG GLU 110 1HG GLU 110 2.445 -16.906 7.509 842 H ARG 111 H ARG 111 -0.709 -20.426 5.640 843 HA ARG 111 HA ARG 111 -1.821 -19.609 3.041 844 1HB ARG 111 2HB ARG 111 -2.309 -21.979 4.810 845 2HB ARG 111 1HB ARG 111 -3.559 -21.453 3.691 846 1HG ARG 111 2HG ARG 111 -0.763 -22.323 2.995 847 2HG ARG 111 1HG ARG 111 -2.260 -23.200 2.680 848 1HD ARG 111 2HD ARG 111 -2.608 -20.657 1.553 849 2HD ARG 111 1HD ARG 111 -0.974 -21.154 1.118 850 HE ARG 111 HE ARG 111 -3.447 -22.291 0.181 851 1HH1 ARG 111 1HH1 ARG 111 -0.036 -22.846 0.669 852 2HH1 ARG 111 2HH1 ARG 111 0.065 -24.079 -0.543 853 1HH2 ARG 111 1HH2 ARG 111 -3.317 -23.913 -1.412 854 2HH2 ARG 111 2HH2 ARG 111 -1.798 -24.685 -1.724 855 H ARG 112 H ARG 112 -3.276 -18.051 3.048 856 HA ARG 112 HA ARG 112 -5.223 -17.856 5.202 857 1HB ARG 112 2HB ARG 112 -3.039 -16.359 5.528 858 2HB ARG 112 1HB ARG 112 -3.912 -15.294 4.435 859 1HG ARG 112 2HG ARG 112 -5.333 -14.647 6.024 860 2HG ARG 112 1HG ARG 112 -5.569 -16.295 6.608 861 1HD ARG 112 2HD ARG 112 -3.089 -15.895 7.501 862 2HD ARG 112 1HD ARG 112 -3.639 -14.221 7.481 863 HE ARG 112 HE ARG 112 -5.014 -14.684 9.258 864 1HH1 ARG 112 1HH1 ARG 112 -3.883 -17.684 7.877 865 2HH1 ARG 112 2HH1 ARG 112 -4.513 -18.658 9.161 866 1HH2 ARG 112 1HH2 ARG 112 -5.844 -15.965 10.949 867 2HH2 ARG 112 2HH2 ARG 112 -5.628 -17.682 10.906 868 H ASP 113 H ASP 113 -6.653 -15.748 4.625 869 HA ASP 113 HA ASP 113 -7.583 -16.272 1.918 870 1HB ASP 113 2HB ASP 113 -9.550 -14.929 2.578 871 2HB ASP 113 1HB ASP 113 -9.244 -16.247 3.704 872 H GLU 114 H GLU 114 -7.221 -14.981 0.242 873 HA GLU 114 HA GLU 114 -6.267 -12.242 0.761 874 1HB GLU 114 2HB GLU 114 -5.420 -14.093 -1.475 875 2HB GLU 114 1HB GLU 114 -4.878 -12.435 -1.260 876 1HG GLU 114 2HG GLU 114 -3.272 -13.076 0.116 877 2HG GLU 114 1HG GLU 114 -4.425 -13.923 1.145 878 H VAL 115 H VAL 115 -7.035 -10.600 -0.552 879 HA VAL 115 HA VAL 115 -9.591 -11.029 -1.740 880 HB VAL 115 HB VAL 115 -8.915 -8.890 -0.648 881 1HG1 VAL 115 1HG1 VAL 115 -6.676 -9.037 -2.204 882 2HG1 VAL 115 2HG1 VAL 115 -7.233 -7.593 -1.358 883 3HG1 VAL 115 3HG1 VAL 115 -7.639 -7.829 -3.057 884 1HG2 VAL 115 1HG2 VAL 115 -9.687 -7.569 -2.937 885 2HG2 VAL 115 2HG2 VAL 115 -10.764 -8.313 -1.756 886 3HG2 VAL 115 3HG2 VAL 115 -10.283 -9.209 -3.195 887 H LYS 116 H LYS 116 -9.907 -11.954 -3.638 888 HA LYS 116 HA LYS 116 -7.803 -12.021 -5.624 889 1HB LYS 116 2HB LYS 116 -10.380 -13.425 -5.187 890 2HB LYS 116 1HB LYS 116 -9.829 -13.276 -6.851 891 1HG LYS 116 2HG LYS 116 -7.960 -14.287 -4.756 892 2HG LYS 116 1HG LYS 116 -9.178 -15.359 -5.448 893 1HD LYS 116 2HD LYS 116 -8.320 -14.840 -7.699 894 2HD LYS 116 1HD LYS 116 -7.074 -13.824 -6.973 895 1HE LYS 116 2HE LYS 116 -5.969 -15.646 -6.025 896 2HE LYS 116 1HE LYS 116 -7.379 -16.695 -6.172 897 1HZ LYS 116 1HZ LYS 116 -5.317 -16.765 -7.844 898 2HZ LYS 116 2HZ LYS 116 -6.301 -15.661 -8.663 899 3HZ LYS 116 3HZ LYS 116 -6.888 -17.204 -8.294 900 H ALA 117 H ALA 117 -9.439 -9.509 -4.942 901 HA ALA 117 HA ALA 117 -9.624 -8.593 -7.655 902 1HB ALA 117 1HB ALA 117 -11.760 -9.453 -7.769 903 2HB ALA 117 2HB ALA 117 -12.054 -7.797 -7.239 904 3HB ALA 117 3HB ALA 117 -12.099 -9.119 -6.071 905 H VAL 118 H VAL 118 -8.126 -7.066 -6.992 906 HA VAL 118 HA VAL 118 -8.851 -5.212 -4.861 907 HB VAL 118 HB VAL 118 -6.379 -5.296 -6.605 908 1HG1 VAL 118 1HG1 VAL 118 -5.422 -3.695 -5.058 909 2HG1 VAL 118 2HG1 VAL 118 -6.909 -3.683 -4.110 910 3HG1 VAL 118 3HG1 VAL 118 -6.904 -3.040 -5.752 911 1HG2 VAL 118 1HG2 VAL 118 -6.978 -7.134 -4.791 912 2HG2 VAL 118 2HG2 VAL 118 -6.336 -5.905 -3.700 913 3HG2 VAL 118 3HG2 VAL 118 -5.331 -6.537 -5.005 914 H THR 119 H THR 119 -10.268 -3.699 -5.409 915 HA THR 119 HA THR 119 -10.044 -2.466 -8.068 916 HB THR 119 HB THR 119 -12.394 -3.063 -6.291 917 HG1 THR 119 1HG THR 119 -12.807 -4.382 -7.850 918 1HG2 THR 119 1HG2 THR 119 -13.284 -1.061 -6.767 919 2HG2 THR 119 2HG2 THR 119 -13.559 -1.767 -8.359 920 3HG2 THR 119 3HG2 THR 119 -12.148 -0.747 -8.078 921 H PHE 120 H PHE 120 -9.601 -0.368 -8.233 922 HA PHE 120 HA PHE 120 -9.029 1.202 -5.893 923 1HB PHE 120 2HB PHE 120 -8.593 3.022 -7.588 924 2HB PHE 120 1HB PHE 120 -7.636 1.564 -7.813 925 HD1 PHE 120 1HD PHE 120 -8.103 0.048 -9.681 926 HD2 PHE 120 2HD PHE 120 -10.208 3.719 -9.214 927 HE1 PHE 120 1HE PHE 120 -8.860 -0.091 -12.018 928 HE2 PHE 120 2HE PHE 120 -10.972 3.582 -11.547 929 HZ PHE 120 HZ PHE 120 -10.298 1.675 -12.952 930 H HIS 121 H HIS 121 -11.383 0.730 -5.201 931 HA HIS 121 HA HIS 121 -13.514 1.965 -6.478 932 1HB HIS 121 2HB HIS 121 -13.366 0.278 -4.442 933 2HB HIS 121 1HB HIS 121 -13.616 1.765 -3.533 934 HD1 HIS 121 1HD HIS 121 -15.995 2.226 -3.087 935 HD2 HIS 121 2HD HIS 121 -15.479 0.112 -6.627 936 HE1 HIS 121 1HE HIS 121 -18.313 1.821 -3.973 937 HE2 HIS 121 2HE HIS 121 -17.974 0.594 -6.147 938 H MET 122 H MET 122 -11.455 3.211 -3.850 939 HA MET 122 HA MET 122 -12.609 5.866 -4.394 940 1HB MET 122 2HB MET 122 -12.245 4.429 -1.875 941 2HB MET 122 1HB MET 122 -11.547 6.043 -1.850 942 1HG MET 122 2HG MET 122 -13.668 6.467 -1.117 943 2HG MET 122 1HG MET 122 -13.845 6.749 -2.847 944 1HE MET 122 1HE MET 122 -15.803 4.730 -4.384 945 2HE MET 122 2HE MET 122 -15.618 6.377 -3.781 946 3HE MET 122 3HE MET 122 -16.983 5.393 -3.251 947 H MET 123 H MET 123 -9.753 4.422 -2.808 948 HA MET 123 HA MET 123 -7.565 5.094 -2.783 949 1HB MET 123 2HB MET 123 -8.428 5.030 -5.626 950 2HB MET 123 1HB MET 123 -6.873 5.771 -5.287 951 1HG MET 123 2HG MET 123 -6.231 3.693 -4.070 952 2HG MET 123 1HG MET 123 -7.729 2.967 -4.648 953 1HE MET 123 1HE MET 123 -6.127 0.875 -6.698 954 2HE MET 123 2HE MET 123 -5.905 1.324 -5.007 955 3HE MET 123 3HE MET 123 -4.565 1.477 -6.143 956 H GLU 124 H GLU 124 -8.990 7.021 -1.712 957 HA GLU 124 HA GLU 124 -7.735 9.465 -2.756 958 1HB GLU 124 2HB GLU 124 -10.272 9.168 -3.294 959 2HB GLU 124 1HB GLU 124 -10.499 9.568 -1.597 960 1HG GLU 124 2HG GLU 124 -8.708 11.449 -2.791 961 2HG GLU 124 1HG GLU 124 -10.172 11.320 -3.763 962 H ILE 125 H ILE 125 -7.649 11.212 -1.112 963 HA ILE 125 HA ILE 125 -7.419 10.056 1.585 964 HB ILE 125 HB ILE 125 -5.846 12.368 1.545 965 1HG1 ILE 125 2HG1 ILE 125 -5.261 10.634 -0.866 966 2HG1 ILE 125 1HG1 ILE 125 -5.855 12.290 -0.917 967 1HG2 ILE 125 1HG2 ILE 125 -5.062 10.741 2.907 968 2HG2 ILE 125 2HG2 ILE 125 -4.000 10.469 1.526 969 3HG2 ILE 125 3HG2 ILE 125 -5.421 9.450 1.760 970 1HD1 ILE 125 1HD1 ILE 125 -3.823 13.136 -0.052 971 2HD1 ILE 125 2HD1 ILE 125 -3.405 12.001 -1.336 972 3HD1 ILE 125 3HD1 ILE 125 -3.247 11.520 0.354 973 H LEU 126 H LEU 126 -8.809 10.816 2.998 974 HA LEU 126 HA LEU 126 -9.974 13.484 2.560 975 1HB LEU 126 2HB LEU 126 -11.760 12.764 4.080 976 2HB LEU 126 1HB LEU 126 -11.607 11.692 2.702 977 HG LEU 126 HG LEU 126 -10.157 10.934 5.185 978 1HD1 LEU 126 1HD1 LEU 126 -13.103 11.165 4.948 979 2HD1 LEU 126 2HD1 LEU 126 -12.064 11.304 6.366 980 3HD1 LEU 126 3HD1 LEU 126 -12.453 9.714 5.709 981 1HD2 LEU 126 1HD2 LEU 126 -10.503 9.758 2.775 982 2HD2 LEU 126 2HD2 LEU 126 -11.831 9.037 3.684 983 3HD2 LEU 126 3HD2 LEU 126 -10.174 8.878 4.268 984 H ASP 127 H ASP 127 -9.713 15.094 4.056 985 HA ASP 127 HA ASP 127 -7.834 14.511 6.219 986 1HB ASP 127 2HB ASP 127 -7.815 16.509 4.384 987 2HB ASP 127 1HB ASP 127 -8.616 17.313 5.731 988 H GLU 128 H GLU 128 -8.484 14.325 8.231 989 HA GLU 128 HA GLU 128 -10.946 15.698 9.081 990 1HB GLU 128 2HB GLU 128 -11.003 13.107 8.813 991 2HB GLU 128 1HB GLU 128 -10.069 13.100 10.303 992 1HG GLU 128 2HG GLU 128 -12.033 14.718 11.072 993 2HG GLU 128 1HG GLU 128 -12.902 13.809 9.835 994 H ASP 129 H ASP 129 -10.533 17.177 10.613 995 HA ASP 129 HA ASP 129 -9.535 18.281 12.353 996 1HB ASP 129 2HB ASP 129 -10.030 15.839 13.286 997 2HB ASP 129 1HB ASP 129 -8.272 15.775 13.342 998 H GLY 130 H GLY 130 -8.021 17.563 9.842 999 1HA GLY 130 2HA GLY 130 -5.959 18.453 9.127 1000 2HA GLY 130 1HA GLY 130 -5.408 18.452 10.798 1001 H LEU 131 H LEU 131 -6.840 15.540 10.311 1002 HA LEU 131 HA LEU 131 -4.264 14.234 9.817 1003 1HB LEU 131 2HB LEU 131 -6.637 13.637 11.428 1004 2HB LEU 131 1HB LEU 131 -6.053 12.258 10.517 1005 HG LEU 131 HG LEU 131 -3.849 13.582 11.820 1006 1HD1 LEU 131 1HD1 LEU 131 -5.257 14.365 13.521 1007 2HD1 LEU 131 2HD1 LEU 131 -4.587 12.860 14.149 1008 3HD1 LEU 131 3HD1 LEU 131 -6.231 12.895 13.512 1009 1HD2 LEU 131 1HD2 LEU 131 -3.787 11.236 12.905 1010 2HD2 LEU 131 2HD2 LEU 131 -3.516 11.385 11.169 1011 3HD2 LEU 131 3HD2 LEU 131 -5.089 10.860 11.775 1012 H ILE 132 H ILE 132 -4.037 12.652 8.210 1013 HA ILE 132 HA ILE 132 -6.079 12.793 6.112 1014 HB ILE 132 HB ILE 132 -4.183 11.491 4.840 1015 1HG1 ILE 132 2HG1 ILE 132 -2.847 11.555 7.102 1016 2HG1 ILE 132 1HG1 ILE 132 -2.010 11.749 5.569 1017 1HG2 ILE 132 1HG2 ILE 132 -3.321 13.656 4.028 1018 2HG2 ILE 132 2HG2 ILE 132 -4.117 14.459 5.381 1019 3HG2 ILE 132 3HG2 ILE 132 -5.080 13.631 4.157 1020 1HD1 ILE 132 1HD1 ILE 132 -1.509 13.928 5.965 1021 2HD1 ILE 132 2HD1 ILE 132 -1.557 13.334 7.625 1022 3HD1 ILE 132 3HD1 ILE 132 -2.944 14.199 6.955 1023 H LYS 133 H LYS 133 -7.030 11.024 5.232 1024 HA LYS 133 HA LYS 133 -6.306 8.401 6.324 1025 1HB LYS 133 2HB LYS 133 -9.056 9.641 6.243 1026 2HB LYS 133 1HB LYS 133 -8.828 7.899 6.310 1027 1HG LYS 133 2HG LYS 133 -8.814 8.116 8.518 1028 2HG LYS 133 1HG LYS 133 -7.211 8.832 8.339 1029 1HD LYS 133 2HD LYS 133 -8.445 10.361 9.641 1030 2HD LYS 133 1HD LYS 133 -8.398 11.053 8.018 1031 1HE LYS 133 2HE LYS 133 -10.616 11.255 8.238 1032 2HE LYS 133 1HE LYS 133 -10.661 9.521 7.927 1033 1HZ LYS 133 1HZ LYS 133 -10.186 10.292 10.684 1034 2HZ LYS 133 2HZ LYS 133 -11.166 9.065 10.055 1035 3HZ LYS 133 3HZ LYS 133 -11.723 10.663 10.082 1036 H ALA 134 H ALA 134 -6.353 6.784 4.834 1037 HA ALA 134 HA ALA 134 -7.115 7.505 2.076 1038 1HB ALA 134 1HB ALA 134 -5.045 6.862 1.597 1039 2HB ALA 134 2HB ALA 134 -5.516 5.213 2.004 1040 3HB ALA 134 3HB ALA 134 -4.797 6.256 3.234 1041 H ARG 135 H ARG 135 -8.551 6.206 0.910 1042 HA ARG 135 HA ARG 135 -9.370 3.677 2.140 1043 1HB ARG 135 2HB ARG 135 -11.784 4.542 1.284 1044 2HB ARG 135 1HB ARG 135 -11.209 4.658 2.944 1045 1HG ARG 135 2HG ARG 135 -11.392 6.851 2.869 1046 2HG ARG 135 1HG ARG 135 -10.258 6.932 1.510 1047 1HD ARG 135 2HD ARG 135 -11.912 7.432 0.105 1048 2HD ARG 135 1HD ARG 135 -12.839 6.022 0.618 1049 HE ARG 135 HE ARG 135 -13.208 8.746 1.465 1050 1HH1 ARG 135 1HH1 ARG 135 -13.732 5.393 2.278 1051 2HH1 ARG 135 2HH1 ARG 135 -15.071 5.726 3.323 1052 1HH2 ARG 135 1HH2 ARG 135 -14.972 9.186 2.839 1053 2HH2 ARG 135 2HH2 ARG 135 -15.777 7.878 3.641 1054 H VAL 136 H VAL 136 -9.388 2.051 0.770 1055 HA VAL 136 HA VAL 136 -10.303 2.536 -1.988 1056 HB VAL 136 HB VAL 136 -7.981 0.756 -1.214 1057 1HG1 VAL 136 1HG1 VAL 136 -8.079 -0.242 -3.213 1058 2HG1 VAL 136 2HG1 VAL 136 -8.430 1.267 -4.050 1059 3HG1 VAL 136 3HG1 VAL 136 -9.735 0.358 -3.293 1060 1HG2 VAL 136 1HG2 VAL 136 -8.137 3.359 -2.687 1061 2HG2 VAL 136 2HG2 VAL 136 -6.733 2.300 -2.751 1062 3HG2 VAL 136 3HG2 VAL 136 -7.241 3.001 -1.213 1063 H ILE 137 H ILE 137 -12.170 1.365 -2.219 1064 HA ILE 137 HA ILE 137 -12.635 -0.962 -0.584 1065 HB ILE 137 HB ILE 137 -14.394 0.361 -2.624 1066 1HG1 ILE 137 2HG1 ILE 137 -15.794 0.822 -0.621 1067 2HG1 ILE 137 1HG1 ILE 137 -14.521 0.141 0.380 1068 1HG2 ILE 137 1HG2 ILE 137 -14.896 -1.971 -2.734 1069 2HG2 ILE 137 2HG2 ILE 137 -16.168 -1.180 -1.804 1070 3HG2 ILE 137 3HG2 ILE 137 -14.911 -2.098 -0.975 1071 1HD1 ILE 137 1HD1 ILE 137 -14.680 2.700 0.087 1072 2HD1 ILE 137 2HD1 ILE 137 -13.922 2.398 -1.477 1073 3HD1 ILE 137 3HD1 ILE 137 -13.100 1.920 0.008 1074 H LEU 138 H LEU 138 -12.496 -2.998 -1.129 1075 HA LEU 138 HA LEU 138 -11.816 -3.625 -3.921 1076 1HB LEU 138 2HB LEU 138 -10.699 -5.242 -1.687 1077 2HB LEU 138 1HB LEU 138 -10.057 -4.963 -3.296 1078 HG LEU 138 HG LEU 138 -10.008 -3.081 -0.946 1079 1HD1 LEU 138 1HD1 LEU 138 -7.525 -3.174 -1.534 1080 2HD1 LEU 138 2HD1 LEU 138 -7.932 -4.576 -2.525 1081 3HD1 LEU 138 3HD1 LEU 138 -8.231 -4.607 -0.788 1082 1HD2 LEU 138 1HD2 LEU 138 -9.919 -1.338 -2.339 1083 2HD2 LEU 138 2HD2 LEU 138 -10.198 -2.404 -3.710 1084 3HD2 LEU 138 3HD2 LEU 138 -8.551 -2.062 -3.180 1085 H ASP 139 H ASP 139 -12.347 -5.656 -4.700 1086 HA ASP 139 HA ASP 139 -14.809 -6.672 -3.588 1087 1HB ASP 139 2HB ASP 139 -13.619 -6.566 -6.172 1088 2HB ASP 139 1HB ASP 139 -13.917 -8.260 -5.790 1089 H LEU 140 H LEU 140 -14.741 -8.119 -2.007 1090 HA LEU 140 HA LEU 140 -12.684 -9.503 -0.949 1091 1HB LEU 140 2HB LEU 140 -15.117 -11.155 -1.123 1092 2HB LEU 140 1HB LEU 140 -14.174 -10.676 0.274 1093 HG LEU 140 HG LEU 140 -15.271 -8.327 -0.162 1094 1HD1 LEU 140 1HD1 LEU 140 -17.511 -10.032 -1.162 1095 2HD1 LEU 140 2HD1 LEU 140 -16.340 -9.359 -2.296 1096 3HD1 LEU 140 3HD1 LEU 140 -17.294 -8.286 -1.272 1097 1HD2 LEU 140 1HD2 LEU 140 -16.607 -10.716 1.086 1098 2HD2 LEU 140 2HD2 LEU 140 -17.199 -9.065 1.269 1099 3HD2 LEU 140 3HD2 LEU 140 -15.600 -9.502 1.874 Start of MODEL 7 1 1H MET 1 1HT MET 1 -5.349 2.907 20.280 2 2H MET 1 2HT MET 1 -3.955 2.244 19.528 3 3H MET 1 3HT MET 1 -5.520 1.770 19.007 4 HA MET 1 HA MET 1 -5.960 3.797 18.056 5 1HB MET 1 2HB MET 1 -5.004 5.040 20.031 6 2HB MET 1 1HB MET 1 -3.413 4.834 19.311 7 1HG MET 1 2HG MET 1 -4.144 7.000 18.741 8 2HG MET 1 1HG MET 1 -4.285 6.020 17.283 9 1HE MET 1 1HE MET 1 -6.799 8.988 17.989 10 2HE MET 1 2HE MET 1 -5.350 8.619 18.925 11 3HE MET 1 3HE MET 1 -6.943 8.405 19.647 12 H LYS 2 H LYS 2 -5.525 2.297 16.345 13 HA LYS 2 HA LYS 2 -2.796 2.245 15.304 14 1HB LYS 2 2HB LYS 2 -5.209 0.819 14.189 15 2HB LYS 2 1HB LYS 2 -3.515 0.471 13.871 16 1HG LYS 2 2HG LYS 2 -4.270 0.320 16.697 17 2HG LYS 2 1HG LYS 2 -5.074 -0.856 15.654 18 1HD LYS 2 2HD LYS 2 -3.157 -1.982 15.227 19 2HD LYS 2 1HD LYS 2 -2.172 -0.519 15.229 20 1HE LYS 2 2HE LYS 2 -1.892 -0.550 17.520 21 2HE LYS 2 1HE LYS 2 -3.348 -1.507 17.788 22 1HZ LYS 2 1HZ LYS 2 -2.264 -3.452 17.062 23 2HZ LYS 2 2HZ LYS 2 -1.182 -2.697 18.120 24 3HZ LYS 2 3HZ LYS 2 -0.940 -2.595 16.449 25 H GLY 3 H GLY 3 -5.946 3.573 14.614 26 1HA GLY 3 2HA GLY 3 -6.335 5.463 13.280 27 2HA GLY 3 1HA GLY 3 -4.760 5.242 12.538 28 H PHE 4 H PHE 4 -5.959 2.249 12.413 29 HA PHE 4 HA PHE 4 -7.115 2.698 9.750 30 1HB PHE 4 2HB PHE 4 -6.177 0.710 9.035 31 2HB PHE 4 1HB PHE 4 -4.963 1.299 10.159 32 HD1 PHE 4 1HD PHE 4 -4.366 0.071 12.073 33 HD2 PHE 4 2HD PHE 4 -7.750 -1.095 9.769 34 HE1 PHE 4 1HE PHE 4 -4.486 -2.045 13.324 35 HE2 PHE 4 2HE PHE 4 -7.876 -3.211 11.018 36 HZ PHE 4 HZ PHE 4 -6.243 -3.688 12.798 37 H GLU 5 H GLU 5 -9.050 1.853 9.173 38 HA GLU 5 HA GLU 5 -10.488 0.074 10.976 39 1HB GLU 5 2HB GLU 5 -12.479 1.508 11.024 40 2HB GLU 5 1HB GLU 5 -11.104 2.306 11.776 41 1HG GLU 5 2HG GLU 5 -11.157 3.988 10.328 42 2HG GLU 5 1HG GLU 5 -11.315 2.907 8.946 43 H PHE 6 H PHE 6 -11.761 -1.338 9.865 44 HA PHE 6 HA PHE 6 -12.027 -0.852 6.972 45 1HB PHE 6 2HB PHE 6 -12.117 -3.352 6.778 46 2HB PHE 6 1HB PHE 6 -10.580 -2.713 7.355 47 HD1 PHE 6 1HD PHE 6 -9.621 -3.614 9.244 48 HD2 PHE 6 2HD PHE 6 -13.806 -4.074 8.624 49 HE1 PHE 6 1HE PHE 6 -9.749 -5.077 11.218 50 HE2 PHE 6 2HE PHE 6 -13.942 -5.537 10.598 51 HZ PHE 6 HZ PHE 6 -11.911 -6.040 11.897 52 H PHE 7 H PHE 7 -13.918 -1.384 5.895 53 HA PHE 7 HA PHE 7 -16.265 -1.740 7.635 54 1HB PHE 7 2HB PHE 7 -17.442 -0.885 5.414 55 2HB PHE 7 1HB PHE 7 -16.781 0.237 6.593 56 HD1 PHE 7 1HD PHE 7 -15.038 1.718 6.021 57 HD2 PHE 7 2HD PHE 7 -16.141 -1.405 3.345 58 HE1 PHE 7 1HE PHE 7 -13.673 2.758 4.251 59 HE2 PHE 7 2HE PHE 7 -14.775 -0.373 1.576 60 HZ PHE 7 HZ PHE 7 -13.542 1.710 2.028 61 H ASP 8 H ASP 8 -17.710 -3.359 7.207 62 HA ASP 8 HA ASP 8 -16.685 -5.557 5.684 63 1HB ASP 8 2HB ASP 8 -19.321 -5.319 7.133 64 2HB ASP 8 1HB ASP 8 -18.570 -6.808 6.562 65 H VAL 9 H VAL 9 -16.810 -5.451 3.550 66 HA VAL 9 HA VAL 9 -19.389 -4.760 2.304 67 HB VAL 9 HB VAL 9 -16.596 -4.315 1.451 68 1HG1 VAL 9 1HG1 VAL 9 -17.663 -6.177 -0.091 69 2HG1 VAL 9 2HG1 VAL 9 -16.722 -4.858 -0.773 70 3HG1 VAL 9 3HG1 VAL 9 -18.483 -4.794 -0.803 71 1HG2 VAL 9 1HG2 VAL 9 -19.248 -3.129 0.733 72 2HG2 VAL 9 2HG2 VAL 9 -17.696 -2.565 0.106 73 3HG2 VAL 9 3HG2 VAL 9 -18.041 -2.466 1.837 74 H THR 10 H THR 10 -20.220 -6.170 0.683 75 HA THR 10 HA THR 10 -19.458 -8.927 1.141 76 HB THR 10 HB THR 10 -21.723 -7.750 -0.479 77 HG1 THR 10 1HG THR 10 -21.800 -9.077 2.022 78 1HG2 THR 10 1HG2 THR 10 -20.736 -10.440 -0.390 79 2HG2 THR 10 2HG2 THR 10 -22.054 -9.756 -1.342 80 3HG2 THR 10 3HG2 THR 10 -22.363 -10.353 0.288 81 H ALA 11 H ALA 11 -17.766 -9.667 -0.028 82 HA ALA 11 HA ALA 11 -16.981 -10.543 -2.107 83 1HB ALA 11 1HB ALA 11 -17.885 -7.983 -3.413 84 2HB ALA 11 2HB ALA 11 -18.902 -9.425 -3.331 85 3HB ALA 11 3HB ALA 11 -17.362 -9.479 -4.191 86 H ASP 12 H ASP 12 -16.855 -7.138 -1.299 87 HA ASP 12 HA ASP 12 -13.929 -7.208 -1.508 88 1HB ASP 12 2HB ASP 12 -14.817 -4.515 -1.708 89 2HB ASP 12 1HB ASP 12 -13.991 -5.473 -2.917 90 H ALA 13 H ALA 13 -12.894 -5.425 -0.209 91 HA ALA 13 HA ALA 13 -14.361 -4.549 2.129 92 1HB ALA 13 1HB ALA 13 -13.106 -5.628 3.750 93 2HB ALA 13 2HB ALA 13 -11.781 -5.977 2.639 94 3HB ALA 13 3HB ALA 13 -13.288 -6.887 2.527 95 H GLY 14 H GLY 14 -13.824 -2.429 2.353 96 1HA GLY 14 2HA GLY 14 -11.106 -1.640 1.482 97 2HA GLY 14 1HA GLY 14 -12.497 -0.585 1.323 98 H PHE 15 H PHE 15 -9.794 -0.836 2.978 99 HA PHE 15 HA PHE 15 -10.985 -0.176 5.574 100 1HB PHE 15 2HB PHE 15 -8.052 -0.611 5.247 101 2HB PHE 15 1HB PHE 15 -9.082 -0.945 6.630 102 HD1 PHE 15 1HD PHE 15 -11.213 -2.499 5.049 103 HD2 PHE 15 2HD PHE 15 -6.966 -2.721 5.167 104 HE1 PHE 15 1HE PHE 15 -11.321 -4.869 4.397 105 HE2 PHE 15 2HE PHE 15 -7.067 -5.089 4.514 106 HZ PHE 15 HZ PHE 15 -9.246 -6.167 4.128 107 H TRP 16 H TRP 16 -10.398 1.621 6.704 108 HA TRP 16 HA TRP 16 -9.170 3.767 5.113 109 1HB TRP 16 2HB TRP 16 -11.667 3.686 6.331 110 2HB TRP 16 1HB TRP 16 -10.688 4.603 7.469 111 HD1 TRP 16 HD TRP 16 -10.182 4.875 3.676 112 HE1 TRP 16 1HE TRP 16 -10.783 7.266 2.941 113 HE3 TRP 16 3HE TRP 16 -12.045 6.631 8.097 114 HZ2 TRP 16 2HZ TRP 16 -11.902 9.591 4.087 115 HZ3 TRP 16 3HZ TRP 16 -12.862 8.951 8.194 116 HH2 TRP 16 HH TRP 16 -12.790 10.399 6.230 117 H ALA 17 H ALA 17 -7.283 4.519 5.818 118 HA ALA 17 HA ALA 17 -6.588 4.161 8.657 119 1HB ALA 17 1HB ALA 17 -5.184 2.572 7.768 120 2HB ALA 17 2HB ALA 17 -4.161 4.002 7.654 121 3HB ALA 17 3HB ALA 17 -5.023 3.421 6.231 122 H TYR 18 H TYR 18 -5.064 5.635 9.491 123 HA TYR 18 HA TYR 18 -5.048 8.137 7.974 124 1HB TYR 18 2HB TYR 18 -5.087 8.524 10.846 125 2HB TYR 18 1HB TYR 18 -6.052 9.273 9.593 126 HD1 TYR 18 1HD TYR 18 -6.394 7.655 12.513 127 HD2 TYR 18 2HD TYR 18 -7.702 7.283 8.484 128 HE1 TYR 18 1HE TYR 18 -8.367 6.408 13.276 129 HE2 TYR 18 2HE TYR 18 -9.677 6.028 9.234 130 HH TYR 18 HH TYR 18 -10.011 4.524 11.876 131 H GLY 19 H GLY 19 -3.440 9.702 8.598 132 1HA GLY 19 2HA GLY 19 -0.945 8.431 9.546 133 2HA GLY 19 1HA GLY 19 -0.990 9.615 8.294 134 H HIS 20 H HIS 20 0.568 10.460 9.449 135 HA HIS 20 HA HIS 20 -0.360 12.403 11.370 136 1HB HIS 20 2HB HIS 20 2.285 11.563 11.969 137 2HB HIS 20 1HB HIS 20 0.855 11.479 12.961 138 HD1 HIS 20 1HD HIS 20 3.410 9.394 11.767 139 HD2 HIS 20 2HD HIS 20 -0.703 8.972 12.176 140 HE1 HIS 20 1HE HIS 20 2.986 6.916 11.773 141 HE2 HIS 20 2HE HIS 20 0.500 6.684 12.113 142 H ASP 21 H ASP 21 0.845 11.786 8.438 143 HA ASP 21 HA ASP 21 1.823 14.397 7.982 144 1HB ASP 21 2HB ASP 21 3.726 13.168 9.329 145 2HB ASP 21 1HB ASP 21 4.094 12.464 7.758 146 H LEU 22 H LEU 22 0.080 12.483 6.793 147 HA LEU 22 HA LEU 22 -0.641 11.852 4.752 148 1HB LEU 22 2HB LEU 22 1.775 13.382 3.787 149 2HB LEU 22 1HB LEU 22 0.510 12.757 2.750 150 HG LEU 22 HG LEU 22 -0.983 14.229 4.448 151 1HD1 LEU 22 1HD1 LEU 22 0.884 15.061 5.725 152 2HD1 LEU 22 2HD1 LEU 22 0.183 16.380 4.788 153 3HD1 LEU 22 3HD1 LEU 22 1.684 15.620 4.257 154 1HD2 LEU 22 1HD2 LEU 22 0.263 15.805 2.295 155 2HD2 LEU 22 2HD2 LEU 22 -1.436 15.455 2.612 156 3HD2 LEU 22 3HD2 LEU 22 -0.422 14.254 1.811 157 H GLU 23 H GLU 23 2.926 11.595 4.718 158 HA GLU 23 HA GLU 23 2.938 9.273 3.123 159 1HB GLU 23 2HB GLU 23 5.247 9.096 3.575 160 2HB GLU 23 1HB GLU 23 4.907 10.810 3.587 161 1HG GLU 23 2HG GLU 23 4.756 9.483 6.198 162 2HG GLU 23 1HG GLU 23 6.347 9.510 5.452 163 H GLU 24 H GLU 24 2.570 9.799 6.528 164 HA GLU 24 HA GLU 24 3.086 7.247 7.521 165 1HB GLU 24 2HB GLU 24 0.985 9.153 8.535 166 2HB GLU 24 1HB GLU 24 1.812 7.912 9.460 167 1HG GLU 24 2HG GLU 24 3.178 10.291 8.226 168 2HG GLU 24 1HG GLU 24 2.615 10.219 9.893 169 H VAL 25 H VAL 25 0.049 8.627 6.238 170 HA VAL 25 HA VAL 25 -1.442 6.244 6.776 171 HB VAL 25 HB VAL 25 -2.384 8.605 6.490 172 1HG1 VAL 25 1HG1 VAL 25 -2.901 9.430 4.373 173 2HG1 VAL 25 2HG1 VAL 25 -2.608 7.876 3.592 174 3HG1 VAL 25 3HG1 VAL 25 -1.255 8.830 4.191 175 1HG2 VAL 25 1HG2 VAL 25 -4.512 7.768 5.866 176 2HG2 VAL 25 2HG2 VAL 25 -3.674 6.466 6.709 177 3HG2 VAL 25 3HG2 VAL 25 -3.794 6.443 4.950 178 H PHE 26 H PHE 26 0.223 7.534 3.951 179 HA PHE 26 HA PHE 26 -0.723 5.785 2.014 180 1HB PHE 26 2HB PHE 26 1.751 7.389 2.374 181 2HB PHE 26 1HB PHE 26 1.788 6.123 1.149 182 HD1 PHE 26 1HD PHE 26 -0.457 8.875 2.291 183 HD2 PHE 26 2HD PHE 26 1.177 6.704 -0.979 184 HE1 PHE 26 1HE PHE 26 -1.628 10.363 0.724 185 HE2 PHE 26 2HE PHE 26 0.005 8.185 -2.553 186 HZ PHE 26 HZ PHE 26 -1.398 10.021 -1.703 187 H GLU 27 H GLU 27 1.929 5.385 4.321 188 HA GLU 27 HA GLU 27 2.914 2.927 3.418 189 1HB GLU 27 2HB GLU 27 2.741 3.792 6.311 190 2HB GLU 27 1HB GLU 27 3.898 2.683 5.597 191 1HG GLU 27 2HG GLU 27 5.221 4.318 4.848 192 2HG GLU 27 1HG GLU 27 3.871 5.367 4.428 193 H ASN 28 H ASN 28 0.199 3.752 5.477 194 HA ASN 28 HA ASN 28 -0.426 1.099 6.288 195 1HB ASN 28 2HB ASN 28 -2.042 3.651 6.271 196 2HB ASN 28 1HB ASN 28 -2.647 2.130 6.921 197 1HD2 ASN 28 1HD2 ASN 28 -1.966 4.784 8.137 198 2HD2 ASN 28 2HD2 ASN 28 -0.924 4.399 9.459 199 H ALA 29 H ALA 29 -1.163 3.014 3.479 200 HA ALA 29 HA ALA 29 -3.470 1.819 2.527 201 1HB ALA 29 1HB ALA 29 -1.213 2.519 0.684 202 2HB ALA 29 2HB ALA 29 -2.101 3.767 1.556 203 3HB ALA 29 3HB ALA 29 -2.949 2.701 0.435 204 H ALA 30 H ALA 30 -0.121 0.729 2.223 205 HA ALA 30 HA ALA 30 -0.963 -1.682 0.817 206 1HB ALA 30 1HB ALA 30 1.850 -1.218 1.687 207 2HB ALA 30 2HB ALA 30 1.182 -0.241 0.381 208 3HB ALA 30 3HB ALA 30 1.236 -1.997 0.231 209 H LEU 31 H LEU 31 -0.188 -0.628 4.004 210 HA LEU 31 HA LEU 31 0.503 -3.217 5.037 211 1HB LEU 31 2HB LEU 31 0.841 -0.638 5.909 212 2HB LEU 31 1HB LEU 31 -0.443 -1.212 6.956 213 HG LEU 31 HG LEU 31 1.033 -3.169 7.539 214 1HD1 LEU 31 1HD1 LEU 31 2.501 -3.034 5.577 215 2HD1 LEU 31 2HD1 LEU 31 3.408 -2.986 7.089 216 3HD1 LEU 31 3HD1 LEU 31 3.141 -1.502 6.174 217 1HD2 LEU 31 1HD2 LEU 31 0.826 -0.756 8.682 218 2HD2 LEU 31 2HD2 LEU 31 2.551 -0.757 8.317 219 3HD2 LEU 31 3HD2 LEU 31 1.861 -2.037 9.314 220 H ALA 32 H ALA 32 -2.400 -1.226 4.890 221 HA ALA 32 HA ALA 32 -4.025 -2.666 6.647 222 1HB ALA 32 1HB ALA 32 -5.523 -1.686 4.375 223 2HB ALA 32 2HB ALA 32 -4.346 -0.493 4.931 224 3HB ALA 32 3HB ALA 32 -5.541 -1.141 6.056 225 H MET 33 H MET 33 -3.588 -3.031 3.141 226 HA MET 33 HA MET 33 -5.324 -5.282 2.934 227 1HB MET 33 2HB MET 33 -4.169 -5.537 0.668 228 2HB MET 33 1HB MET 33 -5.053 -4.044 0.951 229 1HG MET 33 2HG MET 33 -3.091 -2.800 1.216 230 2HG MET 33 1HG MET 33 -2.104 -4.243 1.440 231 1HE MET 33 1HE MET 33 -0.398 -3.851 0.118 232 2HE MET 33 2HE MET 33 -0.608 -2.491 -0.984 233 3HE MET 33 3HE MET 33 -0.329 -4.110 -1.625 234 H PHE 34 H PHE 34 -1.864 -4.856 3.383 235 HA PHE 34 HA PHE 34 -1.181 -7.595 2.978 236 1HB PHE 34 2HB PHE 34 0.212 -5.159 3.968 237 2HB PHE 34 1HB PHE 34 0.897 -6.717 4.417 238 HD1 PHE 34 1HD PHE 34 -0.790 -5.730 1.257 239 HD2 PHE 34 2HD PHE 34 2.842 -6.867 3.163 240 HE1 PHE 34 1HE PHE 34 0.313 -5.870 -0.937 241 HE2 PHE 34 2HE PHE 34 3.952 -7.009 0.971 242 HZ PHE 34 HZ PHE 34 2.687 -6.509 -1.082 243 H GLU 35 H GLU 35 -2.029 -5.647 5.784 244 HA GLU 35 HA GLU 35 -1.283 -7.442 7.796 245 1HB GLU 35 2HB GLU 35 -2.980 -5.069 7.574 246 2HB GLU 35 1HB GLU 35 -3.530 -6.197 8.806 247 1HG GLU 35 2HG GLU 35 -1.174 -6.177 9.702 248 2HG GLU 35 1HG GLU 35 -0.865 -4.826 8.612 249 H VAL 36 H VAL 36 -4.105 -7.320 5.734 250 HA VAL 36 HA VAL 36 -5.459 -9.423 7.213 251 HB VAL 36 HB VAL 36 -6.270 -8.213 4.570 252 1HG1 VAL 36 1HG1 VAL 36 -8.564 -8.882 5.725 253 2HG1 VAL 36 2HG1 VAL 36 -7.524 -10.062 6.522 254 3HG1 VAL 36 3HG1 VAL 36 -7.631 -10.028 4.762 255 1HG2 VAL 36 1HG2 VAL 36 -6.003 -6.460 6.270 256 2HG2 VAL 36 2HG2 VAL 36 -7.082 -7.349 7.345 257 3HG2 VAL 36 3HG2 VAL 36 -7.693 -6.693 5.827 258 H MET 37 H MET 37 -3.566 -9.013 4.305 259 HA MET 37 HA MET 37 -4.167 -11.617 3.249 260 1HB MET 37 2HB MET 37 -2.196 -9.466 2.516 261 2HB MET 37 1HB MET 37 -2.165 -11.042 1.736 262 1HG MET 37 2HG MET 37 -4.104 -10.678 0.603 263 2HG MET 37 1HG MET 37 -4.750 -9.592 1.831 264 1HE MET 37 1HE MET 37 -3.037 -9.912 -1.561 265 2HE MET 37 2HE MET 37 -1.598 -9.819 -0.548 266 3HE MET 37 3HE MET 37 -1.980 -8.504 -1.659 267 H THR 38 H THR 38 -1.739 -10.209 5.316 268 HA THR 38 HA THR 38 -0.818 -12.811 6.106 269 HB THR 38 HB THR 38 1.625 -11.568 5.512 270 HG1 THR 38 1HG THR 38 0.003 -11.590 3.197 271 1HG2 THR 38 1HG2 THR 38 2.062 -13.408 4.113 272 2HG2 THR 38 2HG2 THR 38 0.345 -13.687 3.821 273 3HG2 THR 38 3HG2 THR 38 1.032 -14.008 5.413 274 H ASP 39 H ASP 39 1.514 -12.175 7.386 275 HA ASP 39 HA ASP 39 0.712 -10.017 9.225 276 1HB ASP 39 2HB ASP 39 1.125 -12.794 9.763 277 2HB ASP 39 1HB ASP 39 2.375 -11.876 10.594 278 H THR 40 H THR 40 2.032 -8.397 8.520 279 HA THR 40 HA THR 40 4.752 -8.816 7.777 280 HB THR 40 HB THR 40 4.859 -6.551 7.307 281 HG1 THR 40 1HG THR 40 2.791 -6.057 9.182 282 1HG2 THR 40 1HG2 THR 40 2.451 -7.793 6.611 283 2HG2 THR 40 2HG2 THR 40 3.211 -6.398 5.847 284 3HG2 THR 40 3HG2 THR 40 2.031 -6.162 7.136 285 H SER 41 H SER 41 3.155 -8.306 10.777 286 HA SER 41 HA SER 41 5.029 -7.036 12.335 287 1HB SER 41 2HB SER 41 2.832 -8.916 12.803 288 2HB SER 41 1HB SER 41 4.099 -9.007 14.027 289 HG SER 41 HG SER 41 3.876 -6.717 14.263 290 H LEU 42 H LEU 42 5.250 -10.143 10.858 291 HA LEU 42 HA LEU 42 7.615 -10.811 12.472 292 1HB LEU 42 2HB LEU 42 5.745 -12.467 10.802 293 2HB LEU 42 1HB LEU 42 7.332 -13.065 11.248 294 HG LEU 42 HG LEU 42 6.351 -12.278 13.675 295 1HD1 LEU 42 1HD1 LEU 42 4.028 -13.717 12.504 296 2HD1 LEU 42 2HD1 LEU 42 4.140 -11.972 12.276 297 3HD1 LEU 42 3HD1 LEU 42 4.109 -12.648 13.904 298 1HD2 LEU 42 1HD2 LEU 42 7.423 -14.469 12.786 299 2HD2 LEU 42 2HD2 LEU 42 5.752 -15.016 12.635 300 3HD2 LEU 42 3HD2 LEU 42 6.381 -14.527 14.208 301 H VAL 43 H VAL 43 7.800 -8.777 10.532 302 HA VAL 43 HA VAL 43 9.079 -9.975 8.206 303 HB VAL 43 HB VAL 43 7.602 -8.036 7.875 304 1HG1 VAL 43 1HG1 VAL 43 7.757 -6.099 8.993 305 2HG1 VAL 43 2HG1 VAL 43 9.519 -6.079 8.914 306 3HG1 VAL 43 3HG1 VAL 43 8.703 -7.034 10.152 307 1HG2 VAL 43 1HG2 VAL 43 8.832 -7.274 6.148 308 2HG2 VAL 43 2HG2 VAL 43 9.966 -8.527 6.652 309 3HG2 VAL 43 3HG2 VAL 43 10.205 -6.859 7.174 310 H GLU 44 H GLU 44 11.137 -10.548 8.330 311 HA GLU 44 HA GLU 44 12.903 -9.313 10.281 312 1HB GLU 44 2HB GLU 44 12.731 -11.840 9.724 313 2HB GLU 44 1HB GLU 44 13.718 -11.439 8.324 314 1HG GLU 44 2HG GLU 44 14.985 -10.241 10.511 315 2HG GLU 44 1HG GLU 44 14.497 -11.844 11.056 316 H ALA 45 H ALA 45 12.029 -8.710 7.114 317 HA ALA 45 HA ALA 45 12.864 -7.353 5.492 318 1HB ALA 45 1HB ALA 45 15.154 -6.423 7.117 319 2HB ALA 45 2HB ALA 45 13.543 -6.108 7.761 320 3HB ALA 45 3HB ALA 45 13.988 -5.504 6.165 321 H ALA 46 H ALA 46 13.625 -8.669 3.934 322 HA ALA 46 HA ALA 46 16.350 -9.742 4.240 323 1HB ALA 46 1HB ALA 46 14.840 -11.542 3.965 324 2HB ALA 46 2HB ALA 46 15.634 -11.330 2.405 325 3HB ALA 46 3HB ALA 46 13.993 -10.728 2.648 326 H GLU 47 H GLU 47 14.352 -7.600 2.468 327 HA GLU 47 HA GLU 47 16.603 -6.843 0.791 328 1HB GLU 47 2HB GLU 47 15.494 -7.092 -1.264 329 2HB GLU 47 1HB GLU 47 15.152 -8.570 -0.392 330 1HG GLU 47 2HG GLU 47 12.997 -8.266 -0.637 331 2HG GLU 47 1HG GLU 47 13.096 -6.722 0.202 332 H GLU 48 H GLU 48 16.019 -4.841 -0.510 333 HA GLU 48 HA GLU 48 13.913 -3.258 0.715 334 1HB GLU 48 2HB GLU 48 15.902 -2.791 2.071 335 2HB GLU 48 1HB GLU 48 16.793 -2.337 0.623 336 1HG GLU 48 2HG GLU 48 14.916 -0.591 0.301 337 2HG GLU 48 1HG GLU 48 14.573 -0.890 2.004 338 H ARG 49 H ARG 49 12.803 -2.232 -0.812 339 HA ARG 49 HA ARG 49 14.168 -1.626 -3.355 340 1HB ARG 49 2HB ARG 49 11.253 -2.348 -3.016 341 2HB ARG 49 1HB ARG 49 12.099 -2.072 -4.533 342 1HG ARG 49 2HG ARG 49 13.027 -4.221 -2.686 343 2HG ARG 49 1HG ARG 49 11.629 -4.493 -3.727 344 1HD ARG 49 2HD ARG 49 14.346 -3.602 -4.687 345 2HD ARG 49 1HD ARG 49 13.769 -5.266 -4.714 346 HE ARG 49 HE ARG 49 12.296 -4.716 -6.441 347 1HH1 ARG 49 1HH1 ARG 49 14.103 -1.914 -5.385 348 2HH1 ARG 49 2HH1 ARG 49 13.717 -0.986 -6.793 349 1HH2 ARG 49 1HH2 ARG 49 11.791 -3.489 -8.286 350 2HH2 ARG 49 2HH2 ARG 49 12.406 -1.877 -8.438 351 H ARG 50 H ARG 50 13.484 0.273 -4.466 352 HA ARG 50 HA ARG 50 12.044 2.197 -2.761 353 1HB ARG 50 2HB ARG 50 14.699 2.361 -3.967 354 2HB ARG 50 1HB ARG 50 13.684 3.740 -4.364 355 1HG ARG 50 2HG ARG 50 13.493 4.402 -2.151 356 2HG ARG 50 1HG ARG 50 13.941 2.809 -1.535 357 1HD ARG 50 2HD ARG 50 16.190 3.366 -2.828 358 2HD ARG 50 1HD ARG 50 15.656 5.020 -2.534 359 HE ARG 50 HE ARG 50 15.426 3.816 -0.107 360 1HH1 ARG 50 1HH1 ARG 50 18.024 4.162 -2.411 361 2HH1 ARG 50 2HH1 ARG 50 19.266 4.138 -1.203 362 1HH2 ARG 50 1HH2 ARG 50 17.058 3.784 1.483 363 2HH2 ARG 50 2HH2 ARG 50 18.718 3.923 1.007 364 H VAL 51 H VAL 51 10.614 3.575 -3.732 365 HA VAL 51 HA VAL 51 10.227 3.320 -6.635 366 HB VAL 51 HB VAL 51 7.947 3.352 -4.656 367 1HG1 VAL 51 1HG1 VAL 51 8.177 3.430 -7.596 368 2HG1 VAL 51 2HG1 VAL 51 6.927 4.078 -6.535 369 3HG1 VAL 51 3HG1 VAL 51 6.935 2.362 -6.943 370 1HG2 VAL 51 1HG2 VAL 51 9.380 1.072 -5.967 371 2HG2 VAL 51 2HG2 VAL 51 7.670 0.941 -5.557 372 3HG2 VAL 51 3HG2 VAL 51 8.858 1.248 -4.290 373 H GLU 52 H GLU 52 9.322 5.144 -7.656 374 HA GLU 52 HA GLU 52 9.121 7.555 -5.982 375 1HB GLU 52 2HB GLU 52 9.969 8.694 -8.212 376 2HB GLU 52 1HB GLU 52 11.106 8.054 -7.033 377 1HG GLU 52 2HG GLU 52 11.807 6.411 -8.398 378 2HG GLU 52 1HG GLU 52 10.211 6.164 -9.102 379 H ILE 53 H ILE 53 7.495 8.981 -6.508 380 HA ILE 53 HA ILE 53 5.840 8.298 -8.823 381 HB ILE 53 HB ILE 53 4.267 9.012 -6.453 382 1HG1 ILE 53 2HG1 ILE 53 5.786 6.400 -6.590 383 2HG1 ILE 53 1HG1 ILE 53 5.785 7.570 -5.278 384 1HG2 ILE 53 1HG2 ILE 53 3.347 8.446 -8.624 385 2HG2 ILE 53 2HG2 ILE 53 2.814 7.307 -7.385 386 3HG2 ILE 53 3HG2 ILE 53 4.085 6.846 -8.523 387 1HD1 ILE 53 1HD1 ILE 53 3.364 7.055 -4.942 388 2HD1 ILE 53 2HD1 ILE 53 4.467 5.721 -4.605 389 3HD1 ILE 53 3HD1 ILE 53 3.549 5.746 -6.110 390 H THR 54 H THR 54 4.454 9.932 -9.575 391 HA THR 54 HA THR 54 5.055 12.611 -8.513 392 HB THR 54 HB THR 54 5.072 13.513 -10.717 393 HG1 THR 54 1HG THR 54 4.174 10.960 -11.555 394 1HG2 THR 54 1HG2 THR 54 7.094 12.807 -11.268 395 2HG2 THR 54 2HG2 THR 54 6.498 11.192 -11.653 396 3HG2 THR 54 3HG2 THR 54 6.938 11.597 -9.994 397 H SER 55 H SER 55 3.312 13.420 -7.585 398 HA SER 55 HA SER 55 0.676 12.920 -8.801 399 1HB SER 55 2HB SER 55 0.935 11.782 -6.610 400 2HB SER 55 1HB SER 55 1.264 13.343 -5.861 401 HG SER 55 HG SER 55 -0.796 13.708 -5.814 402 H GLU 56 H GLU 56 -0.933 14.677 -8.314 403 HA GLU 56 HA GLU 56 0.208 17.265 -7.674 404 1HB GLU 56 2HB GLU 56 -1.120 16.864 -10.353 405 2HB GLU 56 1HB GLU 56 -0.366 18.332 -9.746 406 1HG GLU 56 2HG GLU 56 1.799 17.059 -9.669 407 2HG GLU 56 1HG GLU 56 0.974 15.769 -10.545 408 H ASP 57 H ASP 57 -1.722 15.722 -6.343 409 HA ASP 57 HA ASP 57 -3.753 17.632 -5.976 410 1HB ASP 57 2HB ASP 57 -4.266 16.293 -8.239 411 2HB ASP 57 1HB ASP 57 -5.027 15.196 -7.089 412 H ARG 58 H ARG 58 -1.915 15.563 -4.629 413 HA ARG 58 HA ARG 58 -1.903 14.375 -2.688 414 1HB ARG 58 2HB ARG 58 -4.265 16.119 -2.467 415 2HB ARG 58 1HB ARG 58 -4.303 14.703 -1.425 416 1HG ARG 58 2HG ARG 58 -2.287 15.337 -0.347 417 2HG ARG 58 1HG ARG 58 -1.979 16.606 -1.533 418 1HD ARG 58 2HD ARG 58 -4.480 16.649 0.109 419 2HD ARG 58 1HD ARG 58 -2.962 17.223 0.793 420 HE ARG 58 HE ARG 58 -2.989 19.023 -0.678 421 1HH1 ARG 58 1HH1 ARG 58 -5.676 16.878 -1.304 422 2HH1 ARG 58 2HH1 ARG 58 -6.518 18.025 -2.289 423 1HH2 ARG 58 1HH2 ARG 58 -4.099 20.525 -1.975 424 2HH2 ARG 58 2HH2 ARG 58 -5.623 20.091 -2.672 425 H VAL 59 H VAL 59 -5.344 14.178 -3.613 426 HA VAL 59 HA VAL 59 -5.729 11.523 -2.920 427 HB VAL 59 HB VAL 59 -7.569 13.068 -3.442 428 1HG1 VAL 59 1HG1 VAL 59 -8.145 13.704 -5.653 429 2HG1 VAL 59 2HG1 VAL 59 -6.937 12.624 -6.351 430 3HG1 VAL 59 3HG1 VAL 59 -6.428 14.058 -5.457 431 1HG2 VAL 59 1HG2 VAL 59 -8.585 11.071 -3.473 432 2HG2 VAL 59 2HG2 VAL 59 -7.345 10.347 -4.496 433 3HG2 VAL 59 3HG2 VAL 59 -8.642 11.297 -5.220 434 H SER 60 H SER 60 -4.762 12.882 -6.056 435 HA SER 60 HA SER 60 -4.751 10.505 -7.521 436 1HB SER 60 2HB SER 60 -4.209 13.116 -8.102 437 2HB SER 60 1HB SER 60 -2.593 12.413 -8.176 438 HG SER 60 HG SER 60 -3.654 10.756 -9.557 439 H LEU 61 H LEU 61 -2.305 11.933 -5.416 440 HA LEU 61 HA LEU 61 -0.164 10.252 -6.029 441 1HB LEU 61 2HB LEU 61 -0.388 12.332 -4.417 442 2HB LEU 61 1HB LEU 61 -0.651 11.097 -3.204 443 HG LEU 61 HG LEU 61 1.838 11.799 -4.682 444 1HD1 LEU 61 1HD1 LEU 61 1.443 10.744 -1.900 445 2HD1 LEU 61 2HD1 LEU 61 1.293 12.451 -2.314 446 3HD1 LEU 61 3HD1 LEU 61 2.829 11.619 -2.553 447 1HD2 LEU 61 1HD2 LEU 61 1.438 9.449 -5.314 448 2HD2 LEU 61 2HD2 LEU 61 1.312 9.030 -3.608 449 3HD2 LEU 61 3HD2 LEU 61 2.832 9.634 -4.256 450 H LEU 62 H LEU 62 -2.946 9.796 -3.938 451 HA LEU 62 HA LEU 62 -2.064 7.335 -2.788 452 1HB LEU 62 2HB LEU 62 -3.898 9.007 -1.977 453 2HB LEU 62 1HB LEU 62 -4.949 8.114 -3.057 454 HG LEU 62 HG LEU 62 -5.371 7.025 -1.082 455 1HD1 LEU 62 1HD1 LEU 62 -4.607 5.338 -2.644 456 2HD1 LEU 62 2HD1 LEU 62 -4.115 4.907 -1.007 457 3HD1 LEU 62 3HD1 LEU 62 -2.935 5.580 -2.134 458 1HD2 LEU 62 1HD2 LEU 62 -2.498 7.570 -0.364 459 2HD2 LEU 62 2HD2 LEU 62 -3.554 6.534 0.598 460 3HD2 LEU 62 3HD2 LEU 62 -3.955 8.237 0.374 461 H TYR 63 H TYR 63 -4.196 8.225 -5.465 462 HA TYR 63 HA TYR 63 -5.055 5.651 -6.158 463 1HB TYR 63 2HB TYR 63 -6.130 7.662 -7.033 464 2HB TYR 63 1HB TYR 63 -4.667 8.082 -7.917 465 HD1 TYR 63 1HD TYR 63 -7.307 5.475 -7.660 466 HD2 TYR 63 2HD TYR 63 -4.334 7.299 -10.097 467 HE1 TYR 63 1HE TYR 63 -8.117 4.193 -9.597 468 HE2 TYR 63 2HE TYR 63 -5.137 6.023 -12.039 469 HH TYR 63 HH TYR 63 -7.939 4.709 -12.350 470 H ASP 64 H ASP 64 -2.155 7.444 -6.969 471 HA ASP 64 HA ASP 64 -1.253 5.404 -8.826 472 1HB ASP 64 2HB ASP 64 -0.811 8.110 -8.661 473 2HB ASP 64 1HB ASP 64 0.686 7.452 -8.008 474 H TRP 65 H TRP 65 -0.850 6.259 -5.493 475 HA TRP 65 HA TRP 65 1.636 5.090 -4.972 476 1HB TRP 65 2HB TRP 65 0.699 6.462 -3.278 477 2HB TRP 65 1HB TRP 65 -0.790 5.525 -3.238 478 HD1 TRP 65 HD TRP 65 -0.757 4.715 -0.766 479 HE1 TRP 65 1HE TRP 65 0.825 3.243 0.626 480 HE3 TRP 65 3HE TRP 65 3.151 4.374 -4.051 481 HZ2 TRP 65 2HZ TRP 65 3.385 2.087 0.372 482 HZ3 TRP 65 3HZ TRP 65 5.127 3.065 -3.397 483 HH2 TRP 65 HH TRP 65 5.241 1.946 -1.230 484 H LEU 66 H LEU 66 -1.620 3.692 -4.619 485 HA LEU 66 HA LEU 66 -0.612 1.096 -4.009 486 1HB LEU 66 2HB LEU 66 -3.089 2.395 -3.886 487 2HB LEU 66 1HB LEU 66 -3.321 1.078 -5.020 488 HG LEU 66 HG LEU 66 -2.225 0.747 -2.225 489 1HD1 LEU 66 1HD1 LEU 66 -4.339 0.034 -1.525 490 2HD1 LEU 66 2HD1 LEU 66 -4.952 -0.065 -3.175 491 3HD1 LEU 66 3HD1 LEU 66 -4.644 1.509 -2.442 492 1HD2 LEU 66 1HD2 LEU 66 -3.127 -1.672 -2.944 493 2HD2 LEU 66 2HD2 LEU 66 -1.466 -1.141 -3.212 494 3HD2 LEU 66 3HD2 LEU 66 -2.641 -1.060 -4.526 495 H ASP 67 H ASP 67 -1.880 2.623 -6.945 496 HA ASP 67 HA ASP 67 -2.047 0.416 -8.603 497 1HB ASP 67 2HB ASP 67 -2.399 3.053 -9.002 498 2HB ASP 67 1HB ASP 67 -0.828 2.862 -9.777 499 H GLU 68 H GLU 68 0.749 2.166 -7.473 500 HA GLU 68 HA GLU 68 2.658 0.989 -9.218 501 1HB GLU 68 2HB GLU 68 2.669 2.998 -7.307 502 2HB GLU 68 1HB GLU 68 3.662 1.746 -6.578 503 1HG GLU 68 2HG GLU 68 5.174 3.078 -7.737 504 2HG GLU 68 1HG GLU 68 4.917 1.694 -8.800 505 H LEU 69 H LEU 69 1.294 0.165 -6.103 506 HA LEU 69 HA LEU 69 3.073 -1.973 -5.519 507 1HB LEU 69 2HB LEU 69 0.960 -0.625 -4.219 508 2HB LEU 69 1HB LEU 69 0.508 -2.318 -4.274 509 HG LEU 69 HG LEU 69 3.271 -1.746 -3.383 510 1HD1 LEU 69 1HD1 LEU 69 0.881 -1.118 -1.656 511 2HD1 LEU 69 2HD1 LEU 69 2.050 0.049 -2.275 512 3HD1 LEU 69 3HD1 LEU 69 2.559 -1.181 -1.118 513 1HD2 LEU 69 1HD2 LEU 69 2.868 -3.959 -3.140 514 2HD2 LEU 69 2HD2 LEU 69 1.129 -3.734 -2.946 515 3HD2 LEU 69 3HD2 LEU 69 2.214 -3.427 -1.590 516 H LEU 70 H LEU 70 0.075 -1.656 -7.268 517 HA LEU 70 HA LEU 70 -0.768 -4.298 -7.373 518 1HB LEU 70 2HB LEU 70 -1.514 -1.877 -8.533 519 2HB LEU 70 1HB LEU 70 -1.177 -2.929 -9.893 520 HG LEU 70 HG LEU 70 -3.552 -2.957 -9.236 521 1HD1 LEU 70 1HD1 LEU 70 -1.832 -5.358 -9.255 522 2HD1 LEU 70 2HD1 LEU 70 -3.175 -4.910 -10.308 523 3HD1 LEU 70 3HD1 LEU 70 -3.495 -5.580 -8.709 524 1HD2 LEU 70 1HD2 LEU 70 -4.302 -3.398 -7.154 525 2HD2 LEU 70 2HD2 LEU 70 -2.705 -2.815 -6.690 526 3HD2 LEU 70 3HD2 LEU 70 -3.009 -4.548 -6.814 527 H PHE 71 H PHE 71 1.367 -2.579 -9.653 528 HA PHE 71 HA PHE 71 1.821 -4.866 -11.280 529 1HB PHE 71 2HB PHE 71 2.261 -2.177 -11.557 530 2HB PHE 71 1HB PHE 71 3.898 -2.788 -11.337 531 HD1 PHE 71 1HD PHE 71 5.023 -3.127 -13.296 532 HD2 PHE 71 2HD PHE 71 0.840 -3.902 -13.174 533 HE1 PHE 71 1HE PHE 71 5.084 -3.808 -15.660 534 HE2 PHE 71 2HE PHE 71 0.894 -4.586 -15.537 535 HZ PHE 71 HZ PHE 71 3.019 -4.540 -16.782 536 H ILE 72 H ILE 72 3.898 -3.198 -8.906 537 HA ILE 72 HA ILE 72 6.104 -4.861 -9.073 538 HB ILE 72 HB ILE 72 6.017 -2.726 -7.798 539 1HG1 ILE 72 2HG1 ILE 72 7.244 -3.945 -5.694 540 2HG1 ILE 72 1HG1 ILE 72 7.263 -5.240 -6.888 541 1HG2 ILE 72 1HG2 ILE 72 3.870 -3.351 -6.614 542 2HG2 ILE 72 2HG2 ILE 72 5.115 -2.586 -5.627 543 3HG2 ILE 72 3HG2 ILE 72 4.863 -4.330 -5.536 544 1HD1 ILE 72 1HD1 ILE 72 8.123 -3.172 -8.389 545 2HD1 ILE 72 2HD1 ILE 72 9.184 -4.277 -7.514 546 3HD1 ILE 72 3HD1 ILE 72 8.757 -2.719 -6.806 547 H HIS 73 H HIS 73 3.092 -5.351 -7.331 548 HA HIS 73 HA HIS 73 3.761 -7.349 -5.566 549 1HB HIS 73 2HB HIS 73 1.434 -6.213 -6.267 550 2HB HIS 73 1HB HIS 73 1.246 -7.754 -7.094 551 HD1 HIS 73 1HD HIS 73 1.091 -6.182 -3.772 552 HD2 HIS 73 2HD HIS 73 1.247 -10.029 -5.334 553 HE1 HIS 73 1HE HIS 73 0.414 -7.702 -1.886 554 HE2 HIS 73 2HE HIS 73 0.432 -10.017 -2.879 555 H ASP 74 H ASP 74 2.743 -7.823 -8.962 556 HA ASP 74 HA ASP 74 3.310 -10.629 -8.861 557 1HB ASP 74 2HB ASP 74 1.723 -9.244 -10.479 558 2HB ASP 74 1HB ASP 74 3.181 -9.162 -11.465 559 H THR 75 H THR 75 5.091 -7.760 -9.699 560 HA THR 75 HA THR 75 7.205 -9.038 -11.073 561 HB THR 75 HB THR 75 7.245 -6.491 -9.435 562 HG1 THR 75 1HG THR 75 6.603 -5.490 -11.211 563 1HG2 THR 75 1HG2 THR 75 9.295 -7.791 -11.094 564 2HG2 THR 75 2HG2 THR 75 9.460 -6.653 -9.756 565 3HG2 THR 75 3HG2 THR 75 9.050 -6.066 -11.369 566 H GLU 76 H GLU 76 6.224 -8.961 -7.822 567 HA GLU 76 HA GLU 76 8.195 -10.814 -7.050 568 1HB GLU 76 2HB GLU 76 8.637 -7.971 -6.408 569 2HB GLU 76 1HB GLU 76 8.806 -9.074 -5.050 570 1HG GLU 76 2HG GLU 76 10.818 -9.676 -5.731 571 2HG GLU 76 1HG GLU 76 10.183 -10.151 -7.306 572 H PHE 77 H PHE 77 5.987 -11.663 -6.871 573 HA PHE 77 HA PHE 77 4.080 -10.883 -5.054 574 1HB PHE 77 2HB PHE 77 4.573 -13.160 -6.614 575 2HB PHE 77 1HB PHE 77 4.392 -13.757 -4.967 576 HD1 PHE 77 1HD PHE 77 2.299 -13.266 -3.711 577 HD2 PHE 77 2HD PHE 77 2.722 -12.391 -7.854 578 HE1 PHE 77 1HE PHE 77 -0.147 -13.107 -3.923 579 HE2 PHE 77 2HE PHE 77 0.277 -12.229 -8.073 580 HZ PHE 77 HZ PHE 77 -1.161 -12.587 -6.107 581 H ILE 78 H ILE 78 4.923 -10.024 -3.193 582 HA ILE 78 HA ILE 78 6.322 -11.904 -1.410 583 HB ILE 78 HB ILE 78 7.082 -9.870 -0.173 584 1HG1 ILE 78 2HG1 ILE 78 6.561 -8.137 -2.507 585 2HG1 ILE 78 1HG1 ILE 78 5.141 -8.546 -1.552 586 1HG2 ILE 78 1HG2 ILE 78 7.894 -10.713 -2.851 587 2HG2 ILE 78 2HG2 ILE 78 8.858 -10.474 -1.395 588 3HG2 ILE 78 3HG2 ILE 78 8.445 -9.095 -2.413 589 1HD1 ILE 78 1HD1 ILE 78 7.554 -7.613 -0.109 590 2HD1 ILE 78 2HD1 ILE 78 5.846 -7.364 0.254 591 3HD1 ILE 78 3HD1 ILE 78 6.621 -6.431 -1.026 592 H LEU 79 H LEU 79 5.275 -12.625 0.280 593 HA LEU 79 HA LEU 79 2.631 -12.171 0.856 594 1HB LEU 79 2HB LEU 79 3.781 -12.820 3.341 595 2HB LEU 79 1HB LEU 79 3.000 -13.893 2.202 596 HG LEU 79 HG LEU 79 5.222 -14.260 1.112 597 1HD1 LEU 79 1HD1 LEU 79 7.221 -13.510 2.089 598 2HD1 LEU 79 2HD1 LEU 79 6.402 -12.971 3.555 599 3HD1 LEU 79 3HD1 LEU 79 6.176 -12.092 2.043 600 1HD2 LEU 79 1HD2 LEU 79 6.109 -15.322 3.470 601 2HD2 LEU 79 2HD2 LEU 79 4.937 -16.072 2.388 602 3HD2 LEU 79 3HD2 LEU 79 4.382 -15.130 3.771 603 H PHE 80 H PHE 80 4.954 -11.251 3.367 604 HA PHE 80 HA PHE 80 3.507 -8.700 3.635 605 1HB PHE 80 2HB PHE 80 4.007 -8.882 6.085 606 2HB PHE 80 1HB PHE 80 2.876 -10.084 5.478 607 HD1 PHE 80 1HD PHE 80 6.363 -9.534 6.554 608 HD2 PHE 80 2HD PHE 80 3.360 -12.394 5.600 609 HE1 PHE 80 1HE PHE 80 7.779 -11.324 7.472 610 HE2 PHE 80 2HE PHE 80 4.768 -14.188 6.518 611 HZ PHE 80 HZ PHE 80 6.982 -13.655 7.457 612 H SER 81 H SER 81 4.669 -6.867 4.029 613 HA SER 81 HA SER 81 7.506 -6.995 4.581 614 1HB SER 81 2HB SER 81 6.403 -6.229 1.908 615 2HB SER 81 1HB SER 81 7.837 -5.401 2.513 616 HG SER 81 HG SER 81 8.818 -7.078 1.690 617 H LYS 82 H LYS 82 8.448 -4.818 4.884 618 HA LYS 82 HA LYS 82 6.559 -3.102 6.243 619 1HB LYS 82 2HB LYS 82 9.213 -3.712 6.648 620 2HB LYS 82 1HB LYS 82 9.302 -2.105 5.940 621 1HG LYS 82 2HG LYS 82 7.367 -2.555 8.147 622 2HG LYS 82 1HG LYS 82 9.086 -2.472 8.540 623 1HD LYS 82 2HD LYS 82 7.991 -0.375 6.749 624 2HD LYS 82 1HD LYS 82 7.532 -0.309 8.452 625 1HE LYS 82 2HE LYS 82 10.394 -0.761 7.885 626 2HE LYS 82 1HE LYS 82 9.759 0.829 7.462 627 1HZ LYS 82 1HZ LYS 82 10.670 0.267 9.864 628 2HZ LYS 82 2HZ LYS 82 9.069 -0.225 10.095 629 3HZ LYS 82 3HZ LYS 82 9.404 1.364 9.619 630 H PHE 83 H PHE 83 6.043 -0.979 5.680 631 HA PHE 83 HA PHE 83 6.884 -0.155 2.977 632 1HB PHE 83 2HB PHE 83 4.146 -0.156 4.216 633 2HB PHE 83 1HB PHE 83 4.542 0.936 2.892 634 HD1 PHE 83 1HD PHE 83 5.305 -0.038 0.708 635 HD2 PHE 83 2HD PHE 83 3.635 -2.409 3.821 636 HE1 PHE 83 1HE PHE 83 4.839 -1.829 -0.913 637 HE2 PHE 83 2HE PHE 83 3.167 -4.206 2.207 638 HZ PHE 83 HZ PHE 83 3.769 -3.918 -0.164 639 H LYS 84 H LYS 84 7.844 1.699 2.867 640 HA LYS 84 HA LYS 84 7.223 3.783 4.839 641 1HB LYS 84 2HB LYS 84 9.342 3.821 5.555 642 2HB LYS 84 1HB LYS 84 9.694 2.438 4.533 643 1HG LYS 84 2HG LYS 84 10.396 3.857 2.742 644 2HG LYS 84 1HG LYS 84 9.848 5.296 3.602 645 1HD LYS 84 2HD LYS 84 12.297 4.985 3.721 646 2HD LYS 84 1HD LYS 84 11.529 4.965 5.309 647 1HE LYS 84 2HE LYS 84 12.081 2.816 5.689 648 2HE LYS 84 1HE LYS 84 11.781 2.338 4.019 649 1HZ LYS 84 1HZ LYS 84 14.040 2.094 4.180 650 2HZ LYS 84 2HZ LYS 84 14.235 3.404 5.231 651 3HZ LYS 84 3HZ LYS 84 13.947 3.677 3.587 652 H VAL 85 H VAL 85 6.294 5.437 3.802 653 HA VAL 85 HA VAL 85 7.064 5.893 1.005 654 HB VAL 85 HB VAL 85 4.942 6.255 0.403 655 1HG1 VAL 85 1HG1 VAL 85 3.991 4.440 1.245 656 2HG1 VAL 85 2HG1 VAL 85 3.347 5.468 2.524 657 3HG1 VAL 85 3HG1 VAL 85 4.859 4.603 2.769 658 1HG2 VAL 85 1HG2 VAL 85 3.391 7.693 1.435 659 2HG2 VAL 85 2HG2 VAL 85 4.967 8.438 1.662 660 3HG2 VAL 85 3HG2 VAL 85 4.200 7.569 2.994 661 H LYS 86 H LYS 86 7.340 7.948 0.228 662 HA LYS 86 HA LYS 86 7.879 10.022 2.251 663 1HB LYS 86 2HB LYS 86 9.813 8.647 0.994 664 2HB LYS 86 1HB LYS 86 9.514 9.861 -0.238 665 1HG LYS 86 2HG LYS 86 9.696 11.423 1.970 666 2HG LYS 86 1HG LYS 86 10.803 10.113 2.389 667 1HD LYS 86 2HD LYS 86 11.791 10.465 0.045 668 2HD LYS 86 1HD LYS 86 10.917 11.998 0.054 669 1HE LYS 86 2HE LYS 86 13.016 12.587 0.854 670 2HE LYS 86 1HE LYS 86 12.070 12.387 2.327 671 1HZ LYS 86 1HZ LYS 86 13.441 10.014 1.363 672 2HZ LYS 86 2HZ LYS 86 13.248 10.587 2.943 673 3HZ LYS 86 3HZ LYS 86 14.437 11.253 1.943 674 H ILE 87 H ILE 87 6.626 11.793 1.852 675 HA ILE 87 HA ILE 87 5.821 12.272 -0.943 676 HB ILE 87 HB ILE 87 4.443 13.493 1.435 677 1HG1 ILE 87 2HG1 ILE 87 3.853 10.845 0.092 678 2HG1 ILE 87 1HG1 ILE 87 4.318 11.089 1.770 679 1HG2 ILE 87 1HG2 ILE 87 3.942 14.573 -0.619 680 2HG2 ILE 87 2HG2 ILE 87 2.559 13.547 -0.234 681 3HG2 ILE 87 3HG2 ILE 87 3.729 13.032 -1.449 682 1HD1 ILE 87 1HD1 ILE 87 2.241 11.819 2.380 683 2HD1 ILE 87 2HD1 ILE 87 1.822 10.681 1.101 684 3HD1 ILE 87 3HD1 ILE 87 1.849 12.412 0.765 685 H ASP 88 H ASP 88 6.651 13.983 -1.957 686 HA ASP 88 HA ASP 88 7.560 16.260 -0.340 687 1HB ASP 88 2HB ASP 88 9.070 14.857 -2.548 688 2HB ASP 88 1HB ASP 88 9.513 16.444 -1.924 689 H GLU 89 H GLU 89 6.707 18.117 -1.006 690 HA GLU 89 HA GLU 89 5.268 18.293 -3.507 691 1HB GLU 89 2HB GLU 89 5.827 20.236 -1.266 692 2HB GLU 89 1HB GLU 89 5.036 20.739 -2.754 693 1HG GLU 89 2HG GLU 89 3.484 18.663 -2.161 694 2HG GLU 89 1HG GLU 89 4.026 19.069 -0.533 695 H LYS 90 H LYS 90 6.272 18.567 -5.331 696 HA LYS 90 HA LYS 90 8.956 19.509 -5.459 697 1HB LYS 90 2HB LYS 90 6.935 18.764 -7.571 698 2HB LYS 90 1HB LYS 90 8.552 19.324 -7.968 699 1HG LYS 90 2HG LYS 90 7.717 16.786 -6.631 700 2HG LYS 90 1HG LYS 90 8.742 17.016 -8.049 701 1HD LYS 90 2HD LYS 90 10.166 18.348 -6.163 702 2HD LYS 90 1HD LYS 90 9.422 17.071 -5.185 703 1HE LYS 90 2HE LYS 90 11.426 16.116 -5.900 704 2HE LYS 90 1HE LYS 90 10.237 15.476 -7.033 705 1HZ LYS 90 1HZ LYS 90 10.894 17.346 -8.544 706 2HZ LYS 90 2HZ LYS 90 12.085 16.169 -8.298 707 3HZ LYS 90 3HZ LYS 90 12.190 17.656 -7.499 708 H ASP 91 H ASP 91 9.110 21.034 -7.690 709 HA ASP 91 HA ASP 91 8.738 23.573 -6.699 710 1HB ASP 91 2HB ASP 91 9.613 22.386 -9.199 711 2HB ASP 91 1HB ASP 91 8.784 23.917 -9.455 712 H ASP 92 H ASP 92 6.216 21.646 -7.360 713 HA ASP 92 HA ASP 92 4.253 23.557 -7.255 714 1HB ASP 92 2HB ASP 92 5.430 23.500 -9.857 715 2HB ASP 92 1HB ASP 92 3.795 22.862 -9.984 716 H GLY 93 H GLY 93 5.264 20.474 -8.567 717 1HA GLY 93 2HA GLY 93 2.556 19.398 -8.236 718 2HA GLY 93 1HA GLY 93 3.879 18.609 -9.079 719 H LEU 94 H LEU 94 3.543 16.698 -7.944 720 HA LEU 94 HA LEU 94 4.601 16.762 -5.218 721 1HB LEU 94 2HB LEU 94 1.938 16.299 -5.824 722 2HB LEU 94 1HB LEU 94 2.600 14.691 -5.599 723 HG LEU 94 HG LEU 94 3.480 16.472 -3.513 724 1HD1 LEU 94 1HD1 LEU 94 0.565 15.966 -3.308 725 2HD1 LEU 94 2HD1 LEU 94 1.110 17.343 -4.266 726 3HD1 LEU 94 3HD1 LEU 94 1.554 17.223 -2.563 727 1HD2 LEU 94 1HD2 LEU 94 2.199 13.808 -3.789 728 2HD2 LEU 94 2HD2 LEU 94 2.141 14.608 -2.219 729 3HD2 LEU 94 3HD2 LEU 94 3.695 14.264 -2.978 730 H HIS 95 H HIS 95 6.066 15.235 -4.766 731 HA HIS 95 HA HIS 95 6.334 12.965 -6.621 732 1HB HIS 95 2HB HIS 95 8.308 15.030 -5.935 733 2HB HIS 95 1HB HIS 95 8.909 13.389 -5.725 734 HD1 HIS 95 1HD HIS 95 7.364 15.589 -8.396 735 HD2 HIS 95 2HD HIS 95 9.662 12.146 -8.035 736 HE1 HIS 95 1HE HIS 95 8.053 14.994 -10.740 737 HE2 HIS 95 2HE HIS 95 9.505 12.949 -10.489 738 H LEU 96 H LEU 96 6.119 11.098 -5.591 739 HA LEU 96 HA LEU 96 6.650 11.050 -2.706 740 1HB LEU 96 2HB LEU 96 4.334 10.596 -3.364 741 2HB LEU 96 1HB LEU 96 4.877 9.254 -4.352 742 HG LEU 96 HG LEU 96 5.591 9.184 -1.468 743 1HD1 LEU 96 1HD1 LEU 96 2.830 8.505 -2.451 744 2HD1 LEU 96 2HD1 LEU 96 3.232 9.941 -1.511 745 3HD1 LEU 96 3HD1 LEU 96 3.447 8.340 -0.807 746 1HD2 LEU 96 1HD2 LEU 96 4.405 6.957 -3.032 747 2HD2 LEU 96 2HD2 LEU 96 5.649 6.921 -1.783 748 3HD2 LEU 96 3HD2 LEU 96 6.047 7.472 -3.410 749 H THR 97 H THR 97 7.943 9.542 -1.801 750 HA THR 97 HA THR 97 9.271 7.627 -3.605 751 HB THR 97 HB THR 97 10.870 8.340 -1.296 752 HG1 THR 97 1HG THR 97 10.263 10.431 -3.112 753 1HG2 THR 97 1HG2 THR 97 11.241 7.796 -4.092 754 2HG2 THR 97 2HG2 THR 97 12.389 7.679 -2.758 755 3HG2 THR 97 3HG2 THR 97 12.163 9.215 -3.594 756 H GLY 98 H GLY 98 8.837 5.617 -3.031 757 1HA GLY 98 2HA GLY 98 8.232 5.045 -0.204 758 2HA GLY 98 1HA GLY 98 7.427 4.240 -1.537 759 H THR 99 H THR 99 8.938 3.158 0.735 760 HA THR 99 HA THR 99 10.919 1.600 -0.779 761 HB THR 99 HB THR 99 11.229 2.253 2.140 762 HG1 THR 99 1HG THR 99 12.064 4.123 1.668 763 1HG2 THR 99 1HG2 THR 99 12.593 0.470 0.665 764 2HG2 THR 99 2HG2 THR 99 13.279 1.350 2.031 765 3HG2 THR 99 3HG2 THR 99 13.562 1.916 0.384 766 H ALA 100 H ALA 100 10.982 -0.607 -0.362 767 HA ALA 100 HA ALA 100 9.184 -1.626 1.725 768 1HB ALA 100 1HB ALA 100 9.194 -2.522 -1.153 769 2HB ALA 100 2HB ALA 100 7.877 -1.734 -0.286 770 3HB ALA 100 3HB ALA 100 8.368 -3.370 0.155 771 H MET 101 H MET 101 10.009 -3.231 2.885 772 HA MET 101 HA MET 101 12.295 -4.769 1.835 773 1HB MET 101 2HB MET 101 13.368 -4.649 4.053 774 2HB MET 101 1HB MET 101 13.200 -3.057 3.325 775 1HG MET 101 2HG MET 101 11.125 -2.761 4.709 776 2HG MET 101 1HG MET 101 11.571 -4.244 5.552 777 1HE MET 101 1HE MET 101 13.367 -2.857 8.416 778 2HE MET 101 2HE MET 101 12.646 -4.247 7.603 779 3HE MET 101 3HE MET 101 11.653 -2.842 7.994 780 H GLY 102 H GLY 102 12.598 -6.843 2.841 781 1HA GLY 102 2HA GLY 102 11.868 -8.701 4.113 782 2HA GLY 102 1HA GLY 102 10.391 -7.827 4.494 783 H GLU 103 H GLU 103 11.745 -8.187 1.303 784 HA GLU 103 HA GLU 103 9.284 -9.467 0.432 785 1HB GLU 103 2HB GLU 103 9.557 -7.999 -1.227 786 2HB GLU 103 1HB GLU 103 11.179 -7.607 -0.678 787 1HG GLU 103 2HG GLU 103 12.134 -9.317 -2.029 788 2HG GLU 103 1HG GLU 103 10.552 -10.004 -2.390 789 H GLU 104 H GLU 104 9.180 -11.584 0.318 790 HA GLU 104 HA GLU 104 10.921 -13.204 -1.139 791 1HB GLU 104 2HB GLU 104 12.472 -12.757 0.750 792 2HB GLU 104 1HB GLU 104 11.300 -13.469 1.850 793 1HG GLU 104 2HG GLU 104 12.326 -15.036 -0.473 794 2HG GLU 104 1HG GLU 104 13.285 -14.888 0.999 795 H ILE 105 H ILE 105 9.108 -14.181 -1.926 796 HA ILE 105 HA ILE 105 6.969 -15.058 -0.258 797 HB ILE 105 HB ILE 105 6.908 -14.457 -2.785 798 1HG1 ILE 105 2HG1 ILE 105 4.947 -15.946 -3.104 799 2HG1 ILE 105 1HG1 ILE 105 5.429 -16.850 -1.673 800 1HG2 ILE 105 1HG2 ILE 105 8.655 -16.286 -3.256 801 2HG2 ILE 105 2HG2 ILE 105 7.288 -16.125 -4.359 802 3HG2 ILE 105 3HG2 ILE 105 7.295 -17.404 -3.144 803 1HD1 ILE 105 1HD1 ILE 105 5.228 -14.023 -1.125 804 2HD1 ILE 105 2HD1 ILE 105 4.447 -15.391 -0.329 805 3HD1 ILE 105 3HD1 ILE 105 3.723 -14.680 -1.771 806 H LYS 106 H LYS 106 6.659 -16.943 0.749 807 HA LYS 106 HA LYS 106 8.639 -19.076 0.295 808 1HB LYS 106 2HB LYS 106 7.450 -17.925 2.728 809 2HB LYS 106 1HB LYS 106 7.508 -19.683 2.707 810 1HG LYS 106 2HG LYS 106 9.972 -18.247 1.923 811 2HG LYS 106 1HG LYS 106 9.503 -18.185 3.623 812 1HD LYS 106 2HD LYS 106 9.786 -20.445 3.924 813 2HD LYS 106 1HD LYS 106 9.478 -20.817 2.227 814 1HE LYS 106 2HE LYS 106 11.952 -19.451 3.281 815 2HE LYS 106 1HE LYS 106 11.836 -21.164 2.880 816 1HZ LYS 106 1HZ LYS 106 11.698 -18.844 1.053 817 2HZ LYS 106 2HZ LYS 106 11.140 -20.371 0.590 818 3HZ LYS 106 3HZ LYS 106 12.765 -20.157 1.007 819 H GLU 107 H GLU 107 7.903 -21.280 0.480 820 HA GLU 107 HA GLU 107 5.626 -21.843 -1.026 821 1HB GLU 107 2HB GLU 107 7.691 -23.333 0.325 822 2HB GLU 107 1HB GLU 107 6.135 -24.115 0.563 823 1HG GLU 107 2HG GLU 107 6.893 -23.244 -2.177 824 2HG GLU 107 1HG GLU 107 7.649 -24.684 -1.499 825 H GLY 108 H GLY 108 6.038 -21.430 2.415 826 1HA GLY 108 2HA GLY 108 3.180 -22.080 2.793 827 2HA GLY 108 1HA GLY 108 4.403 -22.289 4.037 828 H HIS 109 H HIS 109 3.348 -19.657 1.871 829 HA HIS 109 HA HIS 109 4.030 -17.571 3.606 830 1HB HIS 109 2HB HIS 109 2.441 -16.205 2.224 831 2HB HIS 109 1HB HIS 109 3.626 -17.106 1.283 832 HD1 HIS 109 1HD HIS 109 2.718 -19.257 0.025 833 HD2 HIS 109 2HD HIS 109 -0.189 -16.786 1.672 834 HE1 HIS 109 1HE HIS 109 0.557 -19.945 -1.061 835 HE2 HIS 109 2HE HIS 109 -1.176 -18.388 -0.102 836 H GLU 110 H GLU 110 2.916 -16.426 5.149 837 HA GLU 110 HA GLU 110 1.085 -17.779 6.754 838 1HB GLU 110 2HB GLU 110 2.436 -15.270 6.789 839 2HB GLU 110 1HB GLU 110 0.741 -14.974 7.150 840 1HG GLU 110 2HG GLU 110 1.797 -15.310 9.217 841 2HG GLU 110 1HG GLU 110 0.916 -16.800 8.879 842 H ARG 111 H ARG 111 -0.988 -18.221 6.485 843 HA ARG 111 HA ARG 111 -2.569 -16.535 4.662 844 1HB ARG 111 2HB ARG 111 -3.180 -19.359 5.542 845 2HB ARG 111 1HB ARG 111 -3.991 -18.445 4.278 846 1HG ARG 111 2HG ARG 111 -1.146 -18.630 3.797 847 2HG ARG 111 1HG ARG 111 -1.889 -20.221 3.963 848 1HD ARG 111 2HD ARG 111 -2.944 -18.051 2.160 849 2HD ARG 111 1HD ARG 111 -1.840 -19.319 1.628 850 HE ARG 111 HE ARG 111 -3.885 -20.696 2.748 851 1HH1 ARG 111 1HH1 ARG 111 -3.722 -18.209 0.306 852 2HH1 ARG 111 2HH1 ARG 111 -5.124 -18.773 -0.539 853 1HH2 ARG 111 1HH2 ARG 111 -5.730 -21.438 1.637 854 2HH2 ARG 111 2HH2 ARG 111 -6.266 -20.605 0.217 855 H ARG 112 H ARG 112 -3.534 -15.020 5.894 856 HA ARG 112 HA ARG 112 -4.729 -15.794 8.447 857 1HB ARG 112 2HB ARG 112 -3.381 -13.513 7.620 858 2HB ARG 112 1HB ARG 112 -5.063 -13.006 7.662 859 1HG ARG 112 2HG ARG 112 -5.257 -13.390 9.940 860 2HG ARG 112 1HG ARG 112 -3.860 -14.469 9.976 861 1HD ARG 112 2HD ARG 112 -2.345 -12.722 9.919 862 2HD ARG 112 1HD ARG 112 -3.506 -11.604 9.204 863 HE ARG 112 HE ARG 112 -4.205 -12.451 11.859 864 1HH1 ARG 112 1HH1 ARG 112 -2.372 -10.152 9.981 865 2HH1 ARG 112 2HH1 ARG 112 -2.348 -8.957 11.235 866 1HH2 ARG 112 1HH2 ARG 112 -4.175 -10.881 13.510 867 2HH2 ARG 112 2HH2 ARG 112 -3.371 -9.371 13.238 868 H ASP 113 H ASP 113 -5.807 -13.536 5.918 869 HA ASP 113 HA ASP 113 -8.498 -14.715 6.147 870 1HB ASP 113 2HB ASP 113 -7.561 -11.899 5.742 871 2HB ASP 113 1HB ASP 113 -9.133 -12.384 5.115 872 H GLU 114 H GLU 114 -9.811 -14.700 4.181 873 HA GLU 114 HA GLU 114 -8.199 -15.466 1.888 874 1HB GLU 114 2HB GLU 114 -10.876 -16.058 2.880 875 2HB GLU 114 1HB GLU 114 -10.859 -15.731 1.152 876 1HG GLU 114 2HG GLU 114 -8.913 -17.402 1.063 877 2HG GLU 114 1HG GLU 114 -9.449 -17.889 2.670 878 H VAL 115 H VAL 115 -7.493 -13.778 0.732 879 HA VAL 115 HA VAL 115 -9.438 -11.696 -0.029 880 HB VAL 115 HB VAL 115 -6.426 -11.480 -0.132 881 1HG1 VAL 115 1HG1 VAL 115 -6.712 -9.500 -1.109 882 2HG1 VAL 115 2HG1 VAL 115 -7.947 -9.023 0.056 883 3HG1 VAL 115 3HG1 VAL 115 -8.394 -9.966 -1.366 884 1HG2 VAL 115 1HG2 VAL 115 -7.858 -9.876 1.858 885 2HG2 VAL 115 2HG2 VAL 115 -6.342 -10.767 1.994 886 3HG2 VAL 115 3HG2 VAL 115 -7.879 -11.611 2.173 887 H LYS 116 H LYS 116 -10.270 -12.128 -1.947 888 HA LYS 116 HA LYS 116 -9.062 -13.776 -3.885 889 1HB LYS 116 2HB LYS 116 -11.544 -12.348 -3.562 890 2HB LYS 116 1HB LYS 116 -10.940 -12.148 -5.200 891 1HG LYS 116 2HG LYS 116 -10.875 -14.889 -4.113 892 2HG LYS 116 1HG LYS 116 -12.469 -14.201 -4.427 893 1HD LYS 116 2HD LYS 116 -11.419 -13.529 -6.717 894 2HD LYS 116 1HD LYS 116 -10.243 -14.788 -6.336 895 1HE LYS 116 2HE LYS 116 -13.164 -15.370 -6.105 896 2HE LYS 116 1HE LYS 116 -12.402 -15.362 -7.695 897 1HZ LYS 116 1HZ LYS 116 -12.365 -17.572 -6.826 898 2HZ LYS 116 2HZ LYS 116 -11.659 -17.061 -5.376 899 3HZ LYS 116 3HZ LYS 116 -10.778 -16.985 -6.818 900 H ALA 117 H ALA 117 -8.841 -10.335 -3.265 901 HA ALA 117 HA ALA 117 -6.571 -9.932 -4.770 902 1HB ALA 117 1HB ALA 117 -7.272 -10.098 -6.887 903 2HB ALA 117 2HB ALA 117 -8.034 -8.530 -6.626 904 3HB ALA 117 3HB ALA 117 -8.971 -10.009 -6.424 905 H VAL 118 H VAL 118 -6.677 -7.441 -5.705 906 HA VAL 118 HA VAL 118 -7.739 -5.854 -3.463 907 HB VAL 118 HB VAL 118 -5.839 -4.243 -4.043 908 1HG1 VAL 118 1HG1 VAL 118 -5.204 -5.103 -2.085 909 2HG1 VAL 118 2HG1 VAL 118 -4.201 -6.224 -3.005 910 3HG1 VAL 118 3HG1 VAL 118 -5.823 -6.700 -2.503 911 1HG2 VAL 118 1HG2 VAL 118 -5.235 -5.155 -6.196 912 2HG2 VAL 118 2HG2 VAL 118 -4.855 -6.712 -5.463 913 3HG2 VAL 118 3HG2 VAL 118 -3.866 -5.298 -5.094 914 H THR 119 H THR 119 -9.416 -4.667 -4.130 915 HA THR 119 HA THR 119 -9.330 -3.562 -6.858 916 HB THR 119 HB THR 119 -11.758 -4.214 -5.181 917 HG1 THR 119 1HG THR 119 -10.909 -6.106 -5.909 918 1HG2 THR 119 1HG2 THR 119 -13.098 -3.748 -7.071 919 2HG2 THR 119 2HG2 THR 119 -11.683 -3.501 -8.096 920 3HG2 THR 119 3HG2 THR 119 -12.060 -2.346 -6.816 921 H PHE 120 H PHE 120 -8.610 -1.543 -6.687 922 HA PHE 120 HA PHE 120 -8.554 0.254 -4.681 923 1HB PHE 120 2HB PHE 120 -9.125 1.990 -6.637 924 2HB PHE 120 1HB PHE 120 -7.582 1.154 -6.532 925 HD1 PHE 120 1HD PHE 120 -6.984 1.187 -8.803 926 HD2 PHE 120 2HD PHE 120 -10.769 -0.374 -7.638 927 HE1 PHE 120 1HE PHE 120 -7.311 0.294 -11.071 928 HE2 PHE 120 2HE PHE 120 -11.101 -1.270 -9.904 929 HZ PHE 120 HZ PHE 120 -9.370 -0.937 -11.624 930 H HIS 121 H HIS 121 -10.209 0.457 -3.219 931 HA HIS 121 HA HIS 121 -12.938 0.437 -3.747 932 1HB HIS 121 2HB HIS 121 -12.034 0.363 -1.444 933 2HB HIS 121 1HB HIS 121 -11.538 2.038 -1.590 934 HD1 HIS 121 1HD HIS 121 -13.076 2.640 0.427 935 HD2 HIS 121 2HD HIS 121 -15.079 1.143 -2.889 936 HE1 HIS 121 1HE HIS 121 -15.503 3.165 0.816 937 HE2 HIS 121 2HE HIS 121 -16.706 2.154 -1.152 938 H MET 122 H MET 122 -10.556 2.901 -3.769 939 HA MET 122 HA MET 122 -11.644 4.573 -5.682 940 1HB MET 122 2HB MET 122 -12.886 4.927 -3.151 941 2HB MET 122 1HB MET 122 -11.822 6.306 -3.392 942 1HG MET 122 2HG MET 122 -13.831 5.397 -5.432 943 2HG MET 122 1HG MET 122 -14.182 6.592 -4.185 944 1HE MET 122 1HE MET 122 -13.822 7.567 -7.943 945 2HE MET 122 2HE MET 122 -13.661 5.905 -7.377 946 3HE MET 122 3HE MET 122 -12.270 6.739 -8.070 947 H MET 123 H MET 123 -9.712 4.107 -2.797 948 HA MET 123 HA MET 123 -7.626 4.755 -2.205 949 1HB MET 123 2HB MET 123 -7.067 5.067 -5.149 950 2HB MET 123 1HB MET 123 -5.963 4.564 -3.879 951 1HG MET 123 2HG MET 123 -7.841 2.631 -3.709 952 2HG MET 123 1HG MET 123 -7.896 3.007 -5.430 953 1HE MET 123 1HE MET 123 -5.773 3.522 -6.680 954 2HE MET 123 2HE MET 123 -5.762 1.827 -7.168 955 3HE MET 123 3HE MET 123 -4.287 2.580 -6.561 956 H GLU 124 H GLU 124 -9.190 6.729 -1.751 957 HA GLU 124 HA GLU 124 -7.901 9.106 -2.932 958 1HB GLU 124 2HB GLU 124 -10.718 8.746 -1.900 959 2HB GLU 124 1HB GLU 124 -10.017 10.312 -2.279 960 1HG GLU 124 2HG GLU 124 -9.551 9.270 -4.600 961 2HG GLU 124 1HG GLU 124 -10.764 8.083 -4.119 962 H ILE 125 H ILE 125 -6.957 10.525 -1.571 963 HA ILE 125 HA ILE 125 -6.944 9.783 1.250 964 HB ILE 125 HB ILE 125 -4.771 10.040 0.182 965 1HG1 ILE 125 2HG1 ILE 125 -5.376 12.243 2.168 966 2HG1 ILE 125 1HG1 ILE 125 -4.948 10.581 2.561 967 1HG2 ILE 125 1HG2 ILE 125 -4.690 12.896 -0.092 968 2HG2 ILE 125 2HG2 ILE 125 -5.976 12.220 -1.090 969 3HG2 ILE 125 3HG2 ILE 125 -4.321 11.644 -1.277 970 1HD1 ILE 125 1HD1 ILE 125 -3.232 12.748 2.286 971 2HD1 ILE 125 2HD1 ILE 125 -2.968 11.764 0.846 972 3HD1 ILE 125 3HD1 ILE 125 -2.790 11.048 2.449 973 H LEU 126 H LEU 126 -8.399 10.736 2.486 974 HA LEU 126 HA LEU 126 -9.188 13.510 1.883 975 1HB LEU 126 2HB LEU 126 -10.534 11.331 3.471 976 2HB LEU 126 1HB LEU 126 -11.078 12.997 3.497 977 HG LEU 126 HG LEU 126 -12.441 11.703 1.970 978 1HD1 LEU 126 1HD1 LEU 126 -10.608 13.456 0.352 979 2HD1 LEU 126 2HD1 LEU 126 -11.845 14.076 1.446 980 3HD1 LEU 126 3HD1 LEU 126 -12.310 13.102 0.051 981 1HD2 LEU 126 1HD2 LEU 126 -10.254 11.246 0.045 982 2HD2 LEU 126 2HD2 LEU 126 -11.668 10.260 0.415 983 3HD2 LEU 126 3HD2 LEU 126 -10.259 10.216 1.475 984 H ASP 127 H ASP 127 -8.825 15.139 3.338 985 HA ASP 127 HA ASP 127 -7.327 14.370 5.746 986 1HB ASP 127 2HB ASP 127 -6.423 16.659 5.717 987 2HB ASP 127 1HB ASP 127 -6.096 15.811 4.208 988 H GLU 128 H GLU 128 -8.296 14.548 7.638 989 HA GLU 128 HA GLU 128 -10.436 16.542 7.975 990 1HB GLU 128 2HB GLU 128 -10.806 13.812 8.014 991 2HB GLU 128 1HB GLU 128 -10.620 14.193 9.720 992 1HG GLU 128 2HG GLU 128 -12.857 14.471 9.539 993 2HG GLU 128 1HG GLU 128 -12.347 16.101 9.100 994 H ASP 129 H ASP 129 -10.097 17.949 9.615 995 HA ASP 129 HA ASP 129 -9.137 18.945 11.442 996 1HB ASP 129 2HB ASP 129 -8.886 16.056 12.290 997 2HB ASP 129 1HB ASP 129 -8.593 17.429 13.351 998 H GLY 130 H GLY 130 -7.455 17.888 9.147 999 1HA GLY 130 2HA GLY 130 -5.201 18.402 8.687 1000 2HA GLY 130 1HA GLY 130 -4.875 18.396 10.416 1001 H LEU 131 H LEU 131 -6.703 15.742 9.841 1002 HA LEU 131 HA LEU 131 -4.355 13.998 9.744 1003 1HB LEU 131 2HB LEU 131 -7.076 13.809 10.898 1004 2HB LEU 131 1HB LEU 131 -6.412 12.322 10.249 1005 HG LEU 131 HG LEU 131 -4.676 13.876 12.085 1006 1HD1 LEU 131 1HD1 LEU 131 -7.224 13.599 12.901 1007 2HD1 LEU 131 2HD1 LEU 131 -5.837 13.545 13.989 1008 3HD1 LEU 131 3HD1 LEU 131 -6.564 12.046 13.413 1009 1HD2 LEU 131 1HD2 LEU 131 -4.045 11.732 10.956 1010 2HD2 LEU 131 2HD2 LEU 131 -5.287 10.933 11.924 1011 3HD2 LEU 131 3HD2 LEU 131 -3.916 11.712 12.715 1012 H ILE 132 H ILE 132 -4.196 12.328 8.225 1013 HA ILE 132 HA ILE 132 -5.811 12.730 5.825 1014 HB ILE 132 HB ILE 132 -4.123 11.329 4.702 1015 1HG1 ILE 132 2HG1 ILE 132 -3.426 10.158 6.841 1016 2HG1 ILE 132 1HG1 ILE 132 -2.137 10.601 5.734 1017 1HG2 ILE 132 1HG2 ILE 132 -3.224 13.296 4.169 1018 2HG2 ILE 132 2HG2 ILE 132 -2.227 13.225 5.623 1019 3HG2 ILE 132 3HG2 ILE 132 -3.815 13.993 5.677 1020 1HD1 ILE 132 1HD1 ILE 132 -2.219 12.771 7.367 1021 2HD1 ILE 132 2HD1 ILE 132 -1.142 11.388 7.560 1022 3HD1 ILE 132 3HD1 ILE 132 -2.643 11.466 8.472 1023 H LYS 133 H LYS 133 -6.916 11.100 4.828 1024 HA LYS 133 HA LYS 133 -6.841 8.463 6.091 1025 1HB LYS 133 2HB LYS 133 -9.359 9.984 5.390 1026 2HB LYS 133 1HB LYS 133 -9.309 8.296 5.882 1027 1HG LYS 133 2HG LYS 133 -9.402 8.894 8.007 1028 2HG LYS 133 1HG LYS 133 -7.911 9.822 7.827 1029 1HD LYS 133 2HD LYS 133 -9.212 11.749 7.049 1030 2HD LYS 133 1HD LYS 133 -10.700 10.819 7.238 1031 1HE LYS 133 2HE LYS 133 -8.971 10.908 9.614 1032 2HE LYS 133 1HE LYS 133 -9.656 12.460 9.131 1033 1HZ LYS 133 1HZ LYS 133 -10.918 10.681 10.670 1034 2HZ LYS 133 2HZ LYS 133 -11.517 10.238 9.152 1035 3HZ LYS 133 3HZ LYS 133 -11.715 11.823 9.710 1036 H ALA 134 H ALA 134 -6.876 6.821 4.674 1037 HA ALA 134 HA ALA 134 -7.434 7.408 1.834 1038 1HB ALA 134 1HB ALA 134 -5.397 5.365 2.634 1039 2HB ALA 134 2HB ALA 134 -4.964 7.072 2.556 1040 3HB ALA 134 3HB ALA 134 -5.560 6.247 1.116 1041 H ARG 135 H ARG 135 -8.677 5.914 0.735 1042 HA ARG 135 HA ARG 135 -9.581 3.594 2.307 1043 1HB ARG 135 2HB ARG 135 -11.647 3.843 0.683 1044 2HB ARG 135 1HB ARG 135 -11.529 4.741 2.187 1045 1HG ARG 135 2HG ARG 135 -11.476 6.693 1.134 1046 2HG ARG 135 1HG ARG 135 -10.281 6.131 -0.042 1047 1HD ARG 135 2HD ARG 135 -11.913 5.295 -1.476 1048 2HD ARG 135 1HD ARG 135 -13.142 5.261 -0.214 1049 HE ARG 135 HE ARG 135 -12.195 7.902 -0.847 1050 1HH1 ARG 135 1HH1 ARG 135 -14.491 5.407 -1.671 1051 2HH1 ARG 135 2HH1 ARG 135 -15.617 6.507 -2.392 1052 1HH2 ARG 135 1HH2 ARG 135 -13.673 9.351 -1.793 1053 2HH2 ARG 135 2HH2 ARG 135 -15.152 8.747 -2.462 1054 H VAL 136 H VAL 136 -9.073 1.651 1.600 1055 HA VAL 136 HA VAL 136 -8.937 1.212 -1.306 1056 HB VAL 136 HB VAL 136 -7.025 -0.037 0.662 1057 1HG1 VAL 136 1HG1 VAL 136 -6.754 0.049 -2.324 1058 2HG1 VAL 136 2HG1 VAL 136 -7.670 -1.226 -1.522 1059 3HG1 VAL 136 3HG1 VAL 136 -5.956 -1.017 -1.168 1060 1HG2 VAL 136 1HG2 VAL 136 -6.652 2.293 -1.214 1061 2HG2 VAL 136 2HG2 VAL 136 -5.328 1.432 -0.427 1062 3HG2 VAL 136 3HG2 VAL 136 -6.517 2.300 0.545 1063 H ILE 137 H ILE 137 -10.410 -0.226 -1.869 1064 HA ILE 137 HA ILE 137 -11.501 -2.225 -0.121 1065 HB ILE 137 HB ILE 137 -12.258 -1.113 -2.760 1066 1HG1 ILE 137 2HG1 ILE 137 -13.274 -0.647 -0.401 1067 2HG1 ILE 137 1HG1 ILE 137 -14.343 -0.808 -1.786 1068 1HG2 ILE 137 1HG2 ILE 137 -12.124 -3.369 -3.456 1069 2HG2 ILE 137 2HG2 ILE 137 -13.827 -3.039 -3.150 1070 3HG2 ILE 137 3HG2 ILE 137 -12.879 -3.946 -1.971 1071 1HD1 ILE 137 1HD1 ILE 137 -15.324 -2.638 -0.964 1072 2HD1 ILE 137 2HD1 ILE 137 -14.658 -2.092 0.574 1073 3HD1 ILE 137 3HD1 ILE 137 -13.807 -3.313 -0.374 1074 H LEU 138 H LEU 138 -11.252 -4.353 -0.294 1075 HA LEU 138 HA LEU 138 -9.433 -5.423 -2.324 1076 1HB LEU 138 2HB LEU 138 -9.477 -6.263 0.575 1077 2HB LEU 138 1HB LEU 138 -8.348 -6.786 -0.663 1078 HG LEU 138 HG LEU 138 -7.135 -5.226 0.612 1079 1HD1 LEU 138 1HD1 LEU 138 -7.644 -4.746 -2.033 1080 2HD1 LEU 138 2HD1 LEU 138 -6.404 -3.942 -1.072 1081 3HD1 LEU 138 3HD1 LEU 138 -7.976 -3.176 -1.298 1082 1HD2 LEU 138 1HD2 LEU 138 -9.245 -4.354 1.737 1083 2HD2 LEU 138 2HD2 LEU 138 -9.350 -3.206 0.404 1084 3HD2 LEU 138 3HD2 LEU 138 -7.946 -3.194 1.468 1085 H ASP 139 H ASP 139 -9.843 -7.653 -2.882 1086 HA ASP 139 HA ASP 139 -12.663 -8.224 -2.703 1087 1HB ASP 139 2HB ASP 139 -10.416 -9.081 -4.351 1088 2HB ASP 139 1HB ASP 139 -11.487 -10.412 -3.931 1089 H LEU 140 H LEU 140 -13.503 -9.140 -1.014 1090 HA LEU 140 HA LEU 140 -13.006 -11.708 -0.138 1091 1HB LEU 140 2HB LEU 140 -11.881 -11.453 1.965 1092 2HB LEU 140 1HB LEU 140 -10.874 -10.759 0.712 1093 HG LEU 140 HG LEU 140 -12.669 -8.857 2.074 1094 1HD1 LEU 140 1HD1 LEU 140 -12.067 -10.151 3.997 1095 2HD1 LEU 140 2HD1 LEU 140 -11.116 -8.666 4.006 1096 3HD1 LEU 140 3HD1 LEU 140 -10.375 -10.186 3.504 1097 1HD2 LEU 140 1HD2 LEU 140 -11.264 -7.674 0.772 1098 2HD2 LEU 140 2HD2 LEU 140 -10.026 -8.930 0.782 1099 3HD2 LEU 140 3HD2 LEU 140 -10.175 -7.827 2.150 Start of MODEL 8 1 1H MET 1 1HT MET 1 -1.196 3.095 17.534 2 2H MET 1 2HT MET 1 -2.295 3.791 18.654 3 3H MET 1 3HT MET 1 -2.763 3.560 17.019 4 HA MET 1 HA MET 1 -1.996 1.355 18.794 5 1HB MET 1 2HB MET 1 -4.639 2.730 18.370 6 2HB MET 1 1HB MET 1 -4.557 1.045 18.867 7 1HG MET 1 2HG MET 1 -3.533 1.587 20.910 8 2HG MET 1 1HG MET 1 -3.160 3.226 20.379 9 1HE MET 1 1HE MET 1 -6.255 3.826 18.969 10 2HE MET 1 2HE MET 1 -5.029 4.894 19.650 11 3HE MET 1 3HE MET 1 -6.667 4.905 20.301 12 H LYS 2 H LYS 2 -4.085 2.383 16.106 13 HA LYS 2 HA LYS 2 -3.220 0.007 14.615 14 1HB LYS 2 2HB LYS 2 -6.018 0.893 15.207 15 2HB LYS 2 1HB LYS 2 -5.673 0.045 13.707 16 1HG LYS 2 2HG LYS 2 -4.997 -1.901 14.837 17 2HG LYS 2 1HG LYS 2 -4.875 -1.056 16.382 18 1HD LYS 2 2HD LYS 2 -7.260 -0.806 16.501 19 2HD LYS 2 1HD LYS 2 -7.452 -1.443 14.866 20 1HE LYS 2 2HE LYS 2 -7.320 -3.572 15.557 21 2HE LYS 2 1HE LYS 2 -5.992 -3.227 16.663 22 1HZ LYS 2 1HZ LYS 2 -7.531 -2.454 18.296 23 2HZ LYS 2 2HZ LYS 2 -8.057 -3.972 17.772 24 3HZ LYS 2 3HZ LYS 2 -8.834 -2.574 17.222 25 H GLY 3 H GLY 3 -5.368 2.798 14.123 26 1HA GLY 3 2HA GLY 3 -5.156 4.569 12.636 27 2HA GLY 3 1HA GLY 3 -3.608 3.914 12.124 28 H PHE 4 H PHE 4 -6.034 1.564 12.057 29 HA PHE 4 HA PHE 4 -6.811 2.169 9.310 30 1HB PHE 4 2HB PHE 4 -6.089 0.111 8.412 31 2HB PHE 4 1HB PHE 4 -4.726 0.717 9.342 32 HD1 PHE 4 1HD PHE 4 -4.446 -0.181 11.729 33 HD2 PHE 4 2HD PHE 4 -6.904 -2.031 8.789 34 HE1 PHE 4 1HE PHE 4 -4.355 -2.293 12.988 35 HE2 PHE 4 2HE PHE 4 -6.818 -4.146 10.043 36 HZ PHE 4 HZ PHE 4 -5.543 -4.279 12.145 37 H GLU 5 H GLU 5 -8.827 1.456 8.765 38 HA GLU 5 HA GLU 5 -10.208 -0.446 10.486 39 1HB GLU 5 2HB GLU 5 -12.184 1.133 10.641 40 2HB GLU 5 1HB GLU 5 -10.790 1.554 11.626 41 1HG GLU 5 2HG GLU 5 -11.094 3.592 10.761 42 2HG GLU 5 1HG GLU 5 -10.237 2.930 9.369 43 H PHE 6 H PHE 6 -11.506 -1.753 9.313 44 HA PHE 6 HA PHE 6 -12.081 -0.918 6.549 45 1HB PHE 6 2HB PHE 6 -12.343 -3.453 6.184 46 2HB PHE 6 1HB PHE 6 -10.717 -2.813 6.387 47 HD1 PHE 6 1HD PHE 6 -13.384 -4.791 7.923 48 HD2 PHE 6 2HD PHE 6 -9.411 -3.325 8.342 49 HE1 PHE 6 1HE PHE 6 -12.998 -6.372 9.769 50 HE2 PHE 6 2HE PHE 6 -9.018 -4.904 10.187 51 HZ PHE 6 HZ PHE 6 -10.813 -6.430 10.903 52 H PHE 7 H PHE 7 -14.094 -1.289 5.648 53 HA PHE 7 HA PHE 7 -16.237 -1.776 7.604 54 1HB PHE 7 2HB PHE 7 -17.602 -0.629 5.620 55 2HB PHE 7 1HB PHE 7 -16.784 0.316 6.855 56 HD1 PHE 7 1HD PHE 7 -16.687 -0.799 3.366 57 HD2 PHE 7 2HD PHE 7 -14.858 1.651 6.327 58 HE1 PHE 7 1HE PHE 7 -15.427 0.377 1.612 59 HE2 PHE 7 2HE PHE 7 -13.593 2.834 4.571 60 HZ PHE 7 HZ PHE 7 -13.878 2.193 2.212 61 H ASP 8 H ASP 8 -17.801 -3.276 7.187 62 HA ASP 8 HA ASP 8 -17.112 -5.375 5.396 63 1HB ASP 8 2HB ASP 8 -19.547 -4.928 7.120 64 2HB ASP 8 1HB ASP 8 -19.265 -6.393 6.185 65 H VAL 9 H VAL 9 -17.338 -5.159 3.285 66 HA VAL 9 HA VAL 9 -19.805 -3.960 2.218 67 HB VAL 9 HB VAL 9 -17.011 -3.939 1.270 68 1HG1 VAL 9 1HG1 VAL 9 -17.318 -4.229 -0.983 69 2HG1 VAL 9 2HG1 VAL 9 -19.049 -3.905 -0.904 70 3HG1 VAL 9 3HG1 VAL 9 -18.414 -5.453 -0.357 71 1HG2 VAL 9 1HG2 VAL 9 -19.446 -2.247 0.946 72 2HG2 VAL 9 2HG2 VAL 9 -17.961 -1.944 0.037 73 3HG2 VAL 9 3HG2 VAL 9 -17.948 -1.876 1.803 74 H THR 10 H THR 10 -20.923 -5.045 0.537 75 HA THR 10 HA THR 10 -20.660 -7.927 0.720 76 HB THR 10 HB THR 10 -22.758 -6.219 -0.626 77 HG1 THR 10 1HG THR 10 -22.846 -7.688 1.798 78 1HG2 THR 10 1HG2 THR 10 -23.243 -8.119 -1.716 79 2HG2 THR 10 2HG2 THR 10 -23.994 -8.561 -0.183 80 3HG2 THR 10 3HG2 THR 10 -22.370 -9.132 -0.567 81 H ALA 11 H ALA 11 -19.109 -8.736 -0.588 82 HA ALA 11 HA ALA 11 -18.645 -9.589 -2.790 83 1HB ALA 11 1HB ALA 11 -19.171 -6.796 -3.802 84 2HB ALA 11 2HB ALA 11 -20.377 -8.085 -3.830 85 3HB ALA 11 3HB ALA 11 -18.885 -8.253 -4.755 86 H ASP 12 H ASP 12 -17.876 -6.324 -1.783 87 HA ASP 12 HA ASP 12 -15.023 -6.895 -2.162 88 1HB ASP 12 2HB ASP 12 -15.312 -4.103 -2.035 89 2HB ASP 12 1HB ASP 12 -14.897 -5.061 -3.438 90 H ALA 13 H ALA 13 -13.634 -5.440 -0.767 91 HA ALA 13 HA ALA 13 -14.819 -4.739 1.794 92 1HB ALA 13 1HB ALA 13 -12.624 -6.023 2.713 93 2HB ALA 13 2HB ALA 13 -13.063 -7.061 1.357 94 3HB ALA 13 3HB ALA 13 -14.230 -6.747 2.640 95 H GLY 14 H GLY 14 -14.053 -2.778 2.298 96 1HA GLY 14 2HA GLY 14 -11.383 -2.066 1.253 97 2HA GLY 14 1HA GLY 14 -12.695 -0.918 1.370 98 H PHE 15 H PHE 15 -9.903 -1.231 2.546 99 HA PHE 15 HA PHE 15 -10.606 -0.937 5.381 100 1HB PHE 15 2HB PHE 15 -7.778 -1.103 4.430 101 2HB PHE 15 1HB PHE 15 -8.471 -1.639 5.955 102 HD1 PHE 15 1HD PHE 15 -9.044 -3.877 6.272 103 HD2 PHE 15 2HD PHE 15 -8.339 -2.429 2.332 104 HE1 PHE 15 1HE PHE 15 -9.141 -6.180 5.412 105 HE2 PHE 15 2HE PHE 15 -8.436 -4.729 1.465 106 HZ PHE 15 HZ PHE 15 -8.838 -6.607 3.005 107 H TRP 16 H TRP 16 -9.640 0.823 6.558 108 HA TRP 16 HA TRP 16 -9.125 3.140 4.824 109 1HB TRP 16 2HB TRP 16 -10.959 2.790 6.966 110 2HB TRP 16 1HB TRP 16 -9.743 3.941 7.503 111 HD1 TRP 16 HD TRP 16 -10.967 3.757 3.863 112 HE1 TRP 16 1HE TRP 16 -12.153 5.970 3.296 113 HE3 TRP 16 3HE TRP 16 -10.941 5.908 8.501 114 HZ2 TRP 16 2HZ TRP 16 -12.971 8.315 4.635 115 HZ3 TRP 16 3HZ TRP 16 -11.946 8.138 8.773 116 HH2 TRP 16 HH TRP 16 -12.939 9.316 6.879 117 H ALA 17 H ALA 17 -7.370 4.417 5.188 118 HA ALA 17 HA ALA 17 -5.505 3.534 7.300 119 1HB ALA 17 1HB ALA 17 -4.044 3.051 5.680 120 2HB ALA 17 2HB ALA 17 -3.986 4.773 5.303 121 3HB ALA 17 3HB ALA 17 -5.108 3.720 4.443 122 H TYR 18 H TYR 18 -4.636 4.954 8.538 123 HA TYR 18 HA TYR 18 -5.514 7.732 8.188 124 1HB TYR 18 2HB TYR 18 -5.087 5.949 10.535 125 2HB TYR 18 1HB TYR 18 -5.045 7.677 10.731 126 HD1 TYR 18 1HD TYR 18 -7.091 9.021 10.395 127 HD2 TYR 18 2HD TYR 18 -7.115 4.779 10.104 128 HE1 TYR 18 1HE TYR 18 -9.544 9.028 10.566 129 HE2 TYR 18 2HE TYR 18 -9.558 4.769 10.273 130 HH TYR 18 HH TYR 18 -11.353 7.548 11.175 131 H GLY 19 H GLY 19 -4.110 9.427 8.771 132 1HA GLY 19 2HA GLY 19 -1.256 8.697 8.973 133 2HA GLY 19 1HA GLY 19 -1.782 9.931 7.892 134 H HIS 20 H HIS 20 -0.098 10.832 9.068 135 HA HIS 20 HA HIS 20 -1.180 12.554 11.088 136 1HB HIS 20 2HB HIS 20 1.511 11.624 11.662 137 2HB HIS 20 1HB HIS 20 0.123 11.805 12.688 138 HD1 HIS 20 1HD HIS 20 2.281 9.286 11.411 139 HD2 HIS 20 2HD HIS 20 -1.747 9.494 12.404 140 HE1 HIS 20 1HE HIS 20 1.534 6.903 11.690 141 HE2 HIS 20 2HE HIS 20 -0.888 7.056 12.360 142 H ASP 21 H ASP 21 0.391 12.145 8.221 143 HA ASP 21 HA ASP 21 1.130 14.840 7.950 144 1HB ASP 21 2HB ASP 21 2.959 13.762 9.542 145 2HB ASP 21 1HB ASP 21 3.639 13.229 8.006 146 H LEU 22 H LEU 22 -0.175 12.751 6.469 147 HA LEU 22 HA LEU 22 -0.482 12.194 4.291 148 1HB LEU 22 2HB LEU 22 2.043 13.752 3.736 149 2HB LEU 22 1HB LEU 22 0.872 13.217 2.548 150 HG LEU 22 HG LEU 22 -0.240 14.906 4.687 151 1HD1 LEU 22 1HD1 LEU 22 1.476 16.367 4.624 152 2HD1 LEU 22 2HD1 LEU 22 0.691 16.889 3.134 153 3HD1 LEU 22 3HD1 LEU 22 2.063 15.782 3.068 154 1HD2 LEU 22 1HD2 LEU 22 -1.066 16.035 2.467 155 2HD2 LEU 22 2HD2 LEU 22 -1.752 14.504 3.011 156 3HD2 LEU 22 3HD2 LEU 22 -0.522 14.520 1.747 157 H GLU 23 H GLU 23 3.022 12.139 4.973 158 HA GLU 23 HA GLU 23 3.614 9.902 3.421 159 1HB GLU 23 2HB GLU 23 4.932 11.086 5.850 160 2HB GLU 23 1HB GLU 23 5.554 9.619 5.111 161 1HG GLU 23 2HG GLU 23 6.511 10.735 3.446 162 2HG GLU 23 1HG GLU 23 5.088 11.738 3.190 163 H GLU 24 H GLU 24 2.289 10.211 6.599 164 HA GLU 24 HA GLU 24 2.687 7.582 7.524 165 1HB GLU 24 2HB GLU 24 0.393 9.329 8.349 166 2HB GLU 24 1HB GLU 24 1.284 8.175 9.326 167 1HG GLU 24 2HG GLU 24 2.321 10.808 8.298 168 2HG GLU 24 1HG GLU 24 1.827 10.456 9.948 169 H VAL 25 H VAL 25 -0.150 9.098 5.947 170 HA VAL 25 HA VAL 25 -1.786 6.810 6.086 171 HB VAL 25 HB VAL 25 -2.875 7.892 3.938 172 1HG1 VAL 25 1HG1 VAL 25 -3.078 9.387 6.528 173 2HG1 VAL 25 2HG1 VAL 25 -3.700 7.749 6.334 174 3HG1 VAL 25 3HG1 VAL 25 -4.338 9.057 5.340 175 1HG2 VAL 25 1HG2 VAL 25 -2.569 10.342 3.927 176 2HG2 VAL 25 2HG2 VAL 25 -1.125 9.466 3.429 177 3HG2 VAL 25 3HG2 VAL 25 -1.222 10.158 5.046 178 H PHE 26 H PHE 26 0.187 8.011 3.359 179 HA PHE 26 HA PHE 26 -0.371 6.035 1.521 180 1HB PHE 26 2HB PHE 26 2.267 7.419 2.042 181 2HB PHE 26 1HB PHE 26 1.917 6.462 0.608 182 HD1 PHE 26 1HD PHE 26 -0.489 7.197 -0.469 183 HD2 PHE 26 2HD PHE 26 2.172 9.680 1.737 184 HE1 PHE 26 1HE PHE 26 -1.444 9.185 -1.562 185 HE2 PHE 26 2HE PHE 26 1.220 11.672 0.650 186 HZ PHE 26 HZ PHE 26 -0.590 11.425 -1.002 187 H GLU 27 H GLU 27 1.808 5.953 4.264 188 HA GLU 27 HA GLU 27 2.976 3.417 3.688 189 1HB GLU 27 2HB GLU 27 3.572 5.419 5.404 190 2HB GLU 27 1HB GLU 27 2.753 4.324 6.504 191 1HG GLU 27 2HG GLU 27 4.674 2.956 4.824 192 2HG GLU 27 1HG GLU 27 5.407 4.246 5.774 193 H ASN 28 H ASN 28 0.255 4.542 5.622 194 HA ASN 28 HA ASN 28 -0.418 2.007 6.719 195 1HB ASN 28 2HB ASN 28 -1.073 4.390 7.524 196 2HB ASN 28 1HB ASN 28 -2.392 4.242 6.368 197 1HD2 ASN 28 1HD2 ASN 28 -2.148 4.282 9.397 198 2HD2 ASN 28 2HD2 ASN 28 -3.105 2.936 9.904 199 H ALA 29 H ALA 29 -1.155 3.630 3.731 200 HA ALA 29 HA ALA 29 -3.507 2.415 2.940 201 1HB ALA 29 1HB ALA 29 -2.236 2.567 0.579 202 2HB ALA 29 2HB ALA 29 -1.206 3.622 1.545 203 3HB ALA 29 3HB ALA 29 -2.930 3.963 1.403 204 H ALA 30 H ALA 30 -0.186 1.232 2.435 205 HA ALA 30 HA ALA 30 -1.040 -1.208 1.217 206 1HB ALA 30 1HB ALA 30 1.165 -0.173 0.788 207 2HB ALA 30 2HB ALA 30 1.284 -1.855 1.302 208 3HB ALA 30 3HB ALA 30 1.639 -0.559 2.443 209 H LEU 31 H LEU 31 -0.448 -0.147 4.475 210 HA LEU 31 HA LEU 31 0.017 -2.547 5.779 211 1HB LEU 31 2HB LEU 31 -0.820 0.123 6.497 212 2HB LEU 31 1HB LEU 31 -1.631 -1.070 7.492 213 HG LEU 31 HG LEU 31 1.157 -1.726 7.328 214 1HD1 LEU 31 1HD1 LEU 31 0.610 1.047 8.367 215 2HD1 LEU 31 2HD1 LEU 31 1.402 0.694 6.832 216 3HD1 LEU 31 3HD1 LEU 31 2.156 0.198 8.348 217 1HD2 LEU 31 1HD2 LEU 31 0.037 -0.631 9.821 218 2HD2 LEU 31 2HD2 LEU 31 0.867 -2.158 9.519 219 3HD2 LEU 31 3HD2 LEU 31 -0.842 -1.989 9.118 220 H ALA 32 H ALA 32 -2.979 -1.241 4.526 221 HA ALA 32 HA ALA 32 -4.727 -2.977 5.931 222 1HB ALA 32 1HB ALA 32 -4.961 -1.094 3.667 223 2HB ALA 32 2HB ALA 32 -5.950 -1.255 5.120 224 3HB ALA 32 3HB ALA 32 -6.183 -2.366 3.762 225 H MET 33 H MET 33 -3.526 -3.064 2.576 226 HA MET 33 HA MET 33 -4.671 -5.612 2.028 227 1HB MET 33 2HB MET 33 -3.291 -5.508 -0.042 228 2HB MET 33 1HB MET 33 -4.297 -4.089 0.214 229 1HG MET 33 2HG MET 33 -2.423 -2.802 0.932 230 2HG MET 33 1HG MET 33 -1.386 -4.227 0.953 231 1HE MET 33 1HE MET 33 -1.867 -5.810 -1.403 232 2HE MET 33 2HE MET 33 -0.200 -5.237 -1.332 233 3HE MET 33 3HE MET 33 -1.115 -5.104 -2.834 234 H PHE 34 H PHE 34 -1.397 -4.555 2.905 235 HA PHE 34 HA PHE 34 -0.193 -7.085 2.549 236 1HB PHE 34 2HB PHE 34 1.669 -5.906 2.879 237 2HB PHE 34 1HB PHE 34 0.671 -4.496 3.191 238 HD1 PHE 34 1HD PHE 34 -0.299 -4.502 5.722 239 HD2 PHE 34 2HD PHE 34 3.296 -6.353 4.409 240 HE1 PHE 34 1HE PHE 34 0.597 -4.368 8.008 241 HE2 PHE 34 2HE PHE 34 4.200 -6.227 6.693 242 HZ PHE 34 HZ PHE 34 2.850 -5.234 8.497 243 H GLU 35 H GLU 35 -1.871 -5.640 5.270 244 HA GLU 35 HA GLU 35 -1.014 -7.476 7.240 245 1HB GLU 35 2HB GLU 35 -3.211 -5.495 6.988 246 2HB GLU 35 1HB GLU 35 -3.417 -6.757 8.193 247 1HG GLU 35 2HG GLU 35 -0.783 -5.724 8.430 248 2HG GLU 35 1HG GLU 35 -1.913 -4.372 8.378 249 H VAL 36 H VAL 36 -3.509 -7.601 4.802 250 HA VAL 36 HA VAL 36 -4.545 -10.109 5.910 251 HB VAL 36 HB VAL 36 -6.281 -9.884 4.110 252 1HG1 VAL 36 1HG1 VAL 36 -7.628 -8.533 5.412 253 2HG1 VAL 36 2HG1 VAL 36 -6.316 -7.420 5.797 254 3HG1 VAL 36 3HG1 VAL 36 -6.375 -9.010 6.557 255 1HG2 VAL 36 1HG2 VAL 36 -4.970 -8.435 2.612 256 2HG2 VAL 36 2HG2 VAL 36 -5.103 -7.128 3.789 257 3HG2 VAL 36 3HG2 VAL 36 -6.549 -7.749 2.996 258 H MET 37 H MET 37 -2.965 -8.782 3.062 259 HA MET 37 HA MET 37 -3.150 -10.934 1.331 260 1HB MET 37 2HB MET 37 -1.190 -8.717 1.692 261 2HB MET 37 1HB MET 37 -0.762 -10.036 0.611 262 1HG MET 37 2HG MET 37 -3.452 -8.918 0.229 263 2HG MET 37 1HG MET 37 -2.117 -7.827 -0.135 264 1HE MET 37 1HE MET 37 -4.289 -10.734 -1.318 265 2HE MET 37 2HE MET 37 -3.904 -10.543 -3.028 266 3HE MET 37 3HE MET 37 -4.459 -9.157 -2.088 267 H THR 38 H THR 38 -1.307 -10.643 4.237 268 HA THR 38 HA THR 38 -0.688 -13.342 4.412 269 HB THR 38 HB THR 38 1.965 -12.718 4.119 270 HG1 THR 38 1HG THR 38 2.191 -11.582 2.232 271 1HG2 THR 38 1HG2 THR 38 1.933 -14.465 2.767 272 2HG2 THR 38 2HG2 THR 38 0.934 -13.615 1.589 273 3HG2 THR 38 3HG2 THR 38 0.178 -14.476 2.930 274 H ASP 39 H ASP 39 1.078 -13.772 6.091 275 HA ASP 39 HA ASP 39 0.781 -11.773 8.208 276 1HB ASP 39 2HB ASP 39 0.160 -14.196 8.589 277 2HB ASP 39 1HB ASP 39 1.874 -14.579 8.464 278 H THR 40 H THR 40 2.335 -10.289 7.514 279 HA THR 40 HA THR 40 5.029 -11.019 6.951 280 HB THR 40 HB THR 40 5.428 -8.756 6.597 281 HG1 THR 40 1HG THR 40 5.030 -7.761 8.456 282 1HG2 THR 40 1HG2 THR 40 3.856 -8.146 5.140 283 2HG2 THR 40 2HG2 THR 40 2.562 -8.252 6.333 284 3HG2 THR 40 3HG2 THR 40 3.134 -9.710 5.520 285 H SER 41 H SER 41 3.292 -10.426 9.862 286 HA SER 41 HA SER 41 5.359 -9.520 11.528 287 1HB SER 41 2HB SER 41 2.695 -10.760 11.917 288 2HB SER 41 1HB SER 41 3.813 -10.866 13.277 289 HG SER 41 HG SER 41 3.650 -8.780 13.580 290 H LEU 42 H LEU 42 7.134 -10.853 10.712 291 HA LEU 42 HA LEU 42 8.055 -12.707 12.492 292 1HB LEU 42 2HB LEU 42 7.782 -14.873 11.514 293 2HB LEU 42 1HB LEU 42 6.203 -14.162 11.746 294 HG LEU 42 HG LEU 42 5.977 -15.147 9.681 295 1HD1 LEU 42 1HD1 LEU 42 7.017 -12.419 8.956 296 2HD1 LEU 42 2HD1 LEU 42 5.386 -12.779 9.518 297 3HD1 LEU 42 3HD1 LEU 42 5.952 -13.429 7.981 298 1HD2 LEU 42 1HD2 LEU 42 7.846 -16.051 8.873 299 2HD2 LEU 42 2HD2 LEU 42 8.863 -14.773 9.533 300 3HD2 LEU 42 3HD2 LEU 42 8.040 -14.537 7.993 301 H VAL 43 H VAL 43 8.265 -11.048 9.593 302 HA VAL 43 HA VAL 43 10.952 -12.129 9.051 303 HB VAL 43 HB VAL 43 8.863 -11.007 7.209 304 1HG1 VAL 43 1HG1 VAL 43 10.944 -9.818 6.694 305 2HG1 VAL 43 2HG1 VAL 43 10.477 -10.920 5.401 306 3HG1 VAL 43 3HG1 VAL 43 11.773 -11.364 6.512 307 1HG2 VAL 43 1HG2 VAL 43 9.814 -13.595 7.833 308 2HG2 VAL 43 2HG2 VAL 43 10.286 -13.238 6.172 309 3HG2 VAL 43 3HG2 VAL 43 8.591 -13.131 6.650 310 H GLU 44 H GLU 44 12.647 -10.760 9.098 311 HA GLU 44 HA GLU 44 12.240 -8.124 10.170 312 1HB GLU 44 2HB GLU 44 14.456 -9.990 9.867 313 2HB GLU 44 1HB GLU 44 14.930 -8.333 9.526 314 1HG GLU 44 2HG GLU 44 15.126 -7.994 11.699 315 2HG GLU 44 1HG GLU 44 13.383 -8.213 11.854 316 H ALA 45 H ALA 45 14.532 -8.903 7.597 317 HA ALA 45 HA ALA 45 13.309 -7.564 5.476 318 1HB ALA 45 1HB ALA 45 14.635 -5.447 5.470 319 2HB ALA 45 2HB ALA 45 15.125 -5.812 7.126 320 3HB ALA 45 3HB ALA 45 13.423 -5.540 6.749 321 H ALA 46 H ALA 46 14.233 -9.009 4.128 322 HA ALA 46 HA ALA 46 17.144 -9.316 4.154 323 1HB ALA 46 1HB ALA 46 15.302 -11.003 2.510 324 2HB ALA 46 2HB ALA 46 15.468 -11.290 4.245 325 3HB ALA 46 3HB ALA 46 16.879 -11.409 3.194 326 H GLU 47 H GLU 47 14.882 -7.505 2.573 327 HA GLU 47 HA GLU 47 16.671 -7.091 0.301 328 1HB GLU 47 2HB GLU 47 14.914 -8.851 -0.201 329 2HB GLU 47 1HB GLU 47 13.731 -7.568 -0.078 330 1HG GLU 47 2HG GLU 47 14.572 -8.256 -2.381 331 2HG GLU 47 1HG GLU 47 14.429 -6.547 -2.007 332 H GLU 48 H GLU 48 15.892 -5.211 -1.060 333 HA GLU 48 HA GLU 48 14.159 -3.391 0.375 334 1HB GLU 48 2HB GLU 48 16.644 -3.022 1.007 335 2HB GLU 48 1HB GLU 48 16.798 -2.336 -0.604 336 1HG GLU 48 2HG GLU 48 14.981 -0.739 -0.036 337 2HG GLU 48 1HG GLU 48 15.006 -1.369 1.611 338 H ARG 49 H ARG 49 13.059 -1.962 -0.893 339 HA ARG 49 HA ARG 49 13.717 -1.796 -3.736 340 1HB ARG 49 2HB ARG 49 10.891 -2.360 -2.848 341 2HB ARG 49 1HB ARG 49 11.544 -2.400 -4.480 342 1HG ARG 49 2HG ARG 49 12.575 -4.292 -2.411 343 2HG ARG 49 1HG ARG 49 11.050 -4.615 -3.235 344 1HD ARG 49 2HD ARG 49 13.767 -4.264 -4.489 345 2HD ARG 49 1HD ARG 49 12.808 -5.739 -4.414 346 HE ARG 49 HE ARG 49 11.345 -4.846 -6.039 347 1HH1 ARG 49 1HH1 ARG 49 14.079 -2.760 -5.398 348 2HH1 ARG 49 2HH1 ARG 49 13.882 -1.854 -6.858 349 1HH2 ARG 49 1HH2 ARG 49 11.096 -3.651 -7.955 350 2HH2 ARG 49 2HH2 ARG 49 12.192 -2.357 -8.308 351 H ARG 50 H ARG 50 13.138 0.143 -4.682 352 HA ARG 50 HA ARG 50 11.876 2.107 -2.881 353 1HB ARG 50 2HB ARG 50 14.339 2.228 -4.490 354 2HB ARG 50 1HB ARG 50 13.309 3.648 -4.618 355 1HG ARG 50 2HG ARG 50 13.443 4.073 -2.298 356 2HG ARG 50 1HG ARG 50 14.163 2.494 -1.980 357 1HD ARG 50 2HD ARG 50 16.226 3.120 -2.811 358 2HD ARG 50 1HD ARG 50 15.548 4.409 -3.806 359 HE ARG 50 HE ARG 50 15.847 5.829 -2.053 360 1HH1 ARG 50 1HH1 ARG 50 15.765 2.571 -0.808 361 2HH1 ARG 50 2HH1 ARG 50 16.127 3.050 0.817 362 1HH2 ARG 50 1HH2 ARG 50 16.324 6.461 0.083 363 2HH2 ARG 50 2HH2 ARG 50 16.444 5.258 1.323 364 H VAL 51 H VAL 51 10.363 3.498 -3.701 365 HA VAL 51 HA VAL 51 9.617 3.179 -6.528 366 HB VAL 51 HB VAL 51 7.620 3.316 -4.265 367 1HG1 VAL 51 1HG1 VAL 51 6.476 4.146 -6.067 368 2HG1 VAL 51 2HG1 VAL 51 6.181 2.420 -6.277 369 3HG1 VAL 51 3HG1 VAL 51 7.424 3.225 -7.235 370 1HG2 VAL 51 1HG2 VAL 51 8.033 0.886 -5.953 371 2HG2 VAL 51 2HG2 VAL 51 7.327 1.030 -4.343 372 3HG2 VAL 51 3HG2 VAL 51 9.072 1.168 -4.555 373 H GLU 52 H GLU 52 8.810 5.005 -7.533 374 HA GLU 52 HA GLU 52 8.733 7.467 -5.921 375 1HB GLU 52 2HB GLU 52 9.496 8.460 -8.296 376 2HB GLU 52 1HB GLU 52 10.644 7.978 -7.055 377 1HG GLU 52 2HG GLU 52 11.440 7.074 -9.069 378 2HG GLU 52 1HG GLU 52 10.732 5.726 -8.181 379 H ILE 53 H ILE 53 7.087 8.872 -6.358 380 HA ILE 53 HA ILE 53 5.353 8.257 -8.635 381 HB ILE 53 HB ILE 53 3.830 8.951 -6.240 382 1HG1 ILE 53 2HG1 ILE 53 5.237 6.272 -6.373 383 2HG1 ILE 53 1HG1 ILE 53 5.503 7.516 -5.156 384 1HG2 ILE 53 1HG2 ILE 53 2.817 8.347 -8.331 385 2HG2 ILE 53 2HG2 ILE 53 2.414 7.141 -7.107 386 3HG2 ILE 53 3HG2 ILE 53 3.650 6.790 -8.317 387 1HD1 ILE 53 1HD1 ILE 53 3.795 5.395 -4.934 388 2HD1 ILE 53 2HD1 ILE 53 2.715 6.711 -5.391 389 3HD1 ILE 53 3HD1 ILE 53 3.738 6.867 -3.963 390 H THR 54 H THR 54 3.985 9.948 -9.319 391 HA THR 54 HA THR 54 4.671 12.586 -8.201 392 HB THR 54 HB THR 54 3.979 12.120 -11.096 393 HG1 THR 54 1HG THR 54 6.497 11.989 -9.826 394 1HG2 THR 54 1HG2 THR 54 4.619 14.433 -9.520 395 2HG2 THR 54 2HG2 THR 54 4.074 14.325 -11.194 396 3HG2 THR 54 3HG2 THR 54 5.793 14.211 -10.818 397 H SER 55 H SER 55 2.973 13.424 -7.230 398 HA SER 55 HA SER 55 0.303 13.040 -8.412 399 1HB SER 55 2HB SER 55 0.277 11.852 -6.353 400 2HB SER 55 1HB SER 55 1.118 13.149 -5.510 401 HG SER 55 HG SER 55 -1.546 13.082 -6.432 402 H GLU 56 H GLU 56 -1.234 14.829 -7.860 403 HA GLU 56 HA GLU 56 0.105 17.371 -7.334 404 1HB GLU 56 2HB GLU 56 -1.101 16.538 -9.894 405 2HB GLU 56 1HB GLU 56 -1.547 18.147 -9.338 406 1HG GLU 56 2HG GLU 56 0.612 18.929 -9.439 407 2HG GLU 56 1HG GLU 56 1.310 17.312 -9.358 408 H ASP 57 H ASP 57 -1.784 15.706 -5.831 409 HA ASP 57 HA ASP 57 -3.487 17.749 -4.915 410 1HB ASP 57 2HB ASP 57 -4.557 17.126 -7.138 411 2HB ASP 57 1HB ASP 57 -4.986 15.591 -6.388 412 H ARG 58 H ARG 58 -1.710 15.527 -4.020 413 HA ARG 58 HA ARG 58 -1.531 14.134 -2.232 414 1HB ARG 58 2HB ARG 58 -4.282 15.055 -1.409 415 2HB ARG 58 1HB ARG 58 -2.998 14.436 -0.380 416 1HG ARG 58 2HG ARG 58 -1.653 16.465 -1.074 417 2HG ARG 58 1HG ARG 58 -3.149 17.097 -1.763 418 1HD ARG 58 2HD ARG 58 -3.676 16.158 0.880 419 2HD ARG 58 1HD ARG 58 -2.260 17.207 0.924 420 HE ARG 58 HE ARG 58 -3.598 19.001 0.400 421 1HH1 ARG 58 1HH1 ARG 58 -5.394 16.045 -0.074 422 2HH1 ARG 58 2HH1 ARG 58 -6.909 16.854 -0.289 423 1HH2 ARG 58 1HH2 ARG 58 -5.591 20.065 0.115 424 2HH2 ARG 58 2HH2 ARG 58 -7.021 19.136 -0.183 425 H VAL 59 H VAL 59 -5.032 14.021 -2.924 426 HA VAL 59 HA VAL 59 -5.393 11.325 -2.442 427 HB VAL 59 HB VAL 59 -7.414 11.482 -3.880 428 1HG1 VAL 59 1HG1 VAL 59 -8.363 13.542 -2.582 429 2HG1 VAL 59 2HG1 VAL 59 -6.806 13.486 -1.754 430 3HG1 VAL 59 3HG1 VAL 59 -7.880 12.087 -1.709 431 1HG2 VAL 59 1HG2 VAL 59 -7.832 13.999 -4.575 432 2HG2 VAL 59 2HG2 VAL 59 -7.015 12.866 -5.651 433 3HG2 VAL 59 3HG2 VAL 59 -6.072 14.007 -4.690 434 H SER 60 H SER 60 -4.516 12.917 -5.486 435 HA SER 60 HA SER 60 -4.714 10.714 -7.176 436 1HB SER 60 2HB SER 60 -3.355 13.323 -7.245 437 2HB SER 60 1HB SER 60 -2.577 12.082 -8.227 438 HG SER 60 HG SER 60 -5.339 12.724 -8.343 439 H LEU 61 H LEU 61 -2.036 11.719 -5.070 440 HA LEU 61 HA LEU 61 -0.098 9.937 -5.954 441 1HB LEU 61 2HB LEU 61 -0.016 11.786 -4.111 442 2HB LEU 61 1HB LEU 61 -0.449 10.477 -3.029 443 HG LEU 61 HG LEU 61 1.919 10.714 -2.948 444 1HD1 LEU 61 1HD1 LEU 61 2.681 8.534 -3.684 445 2HD1 LEU 61 2HD1 LEU 61 1.280 8.376 -4.738 446 3HD1 LEU 61 3HD1 LEU 61 1.067 8.408 -2.988 447 1HD2 LEU 61 1HD2 LEU 61 3.279 10.416 -5.052 448 2HD2 LEU 61 2HD2 LEU 61 2.413 11.942 -4.903 449 3HD2 LEU 61 3HD2 LEU 61 1.783 10.672 -5.951 450 H LEU 62 H LEU 62 -2.511 9.454 -3.371 451 HA LEU 62 HA LEU 62 -1.896 6.834 -2.714 452 1HB LEU 62 2HB LEU 62 -3.693 8.523 -1.774 453 2HB LEU 62 1HB LEU 62 -4.761 7.678 -2.877 454 HG LEU 62 HG LEU 62 -5.126 6.529 -0.903 455 1HD1 LEU 62 1HD1 LEU 62 -4.255 4.361 -1.174 456 2HD1 LEU 62 2HD1 LEU 62 -2.763 4.955 -1.905 457 3HD1 LEU 62 3HD1 LEU 62 -4.280 5.051 -2.795 458 1HD2 LEU 62 1HD2 LEU 62 -2.711 7.689 -0.111 459 2HD2 LEU 62 2HD2 LEU 62 -2.454 5.951 0.039 460 3HD2 LEU 62 3HD2 LEU 62 -3.802 6.718 0.878 461 H TYR 63 H TYR 63 -3.934 8.094 -5.301 462 HA TYR 63 HA TYR 63 -5.015 5.727 -6.257 463 1HB TYR 63 2HB TYR 63 -5.468 8.177 -6.957 464 2HB TYR 63 1HB TYR 63 -4.158 7.931 -8.108 465 HD1 TYR 63 1HD TYR 63 -5.047 7.717 -10.229 466 HD2 TYR 63 2HD TYR 63 -6.977 5.744 -6.991 467 HE1 TYR 63 1HE TYR 63 -6.626 6.686 -11.807 468 HE2 TYR 63 2HE TYR 63 -8.560 4.706 -8.560 469 HH TYR 63 HH TYR 63 -8.465 4.101 -11.142 470 H ASP 64 H ASP 64 -1.845 7.133 -6.808 471 HA ASP 64 HA ASP 64 -1.168 4.984 -8.674 472 1HB ASP 64 2HB ASP 64 -0.585 7.347 -9.235 473 2HB ASP 64 1HB ASP 64 0.504 7.365 -7.851 474 H TRP 65 H TRP 65 -0.577 6.040 -5.421 475 HA TRP 65 HA TRP 65 1.812 4.705 -4.874 476 1HB TRP 65 2HB TRP 65 1.139 6.194 -3.209 477 2HB TRP 65 1HB TRP 65 -0.506 5.571 -3.182 478 HD1 TRP 65 HD TRP 65 -1.061 3.942 -1.274 479 HE1 TRP 65 1HE TRP 65 0.301 2.606 0.451 480 HE3 TRP 65 3HE TRP 65 3.645 4.952 -2.996 481 HZ2 TRP 65 2HZ TRP 65 3.013 2.055 1.012 482 HZ3 TRP 65 3HZ TRP 65 5.568 3.983 -1.809 483 HH2 TRP 65 HH TRP 65 5.258 2.565 0.154 484 H LEU 66 H LEU 66 -1.530 3.597 -4.352 485 HA LEU 66 HA LEU 66 -0.724 0.985 -3.562 486 1HB LEU 66 2HB LEU 66 -3.057 2.467 -3.449 487 2HB LEU 66 1HB LEU 66 -3.444 1.204 -4.601 488 HG LEU 66 HG LEU 66 -2.538 0.840 -1.743 489 1HD1 LEU 66 1HD1 LEU 66 -4.731 -0.222 -1.483 490 2HD1 LEU 66 2HD1 LEU 66 -5.116 0.178 -3.157 491 3HD1 LEU 66 3HD1 LEU 66 -4.869 1.466 -1.978 492 1HD2 LEU 66 1HD2 LEU 66 -3.256 -1.628 -2.554 493 2HD2 LEU 66 2HD2 LEU 66 -1.592 -1.042 -2.555 494 3HD2 LEU 66 3HD2 LEU 66 -2.541 -1.006 -4.042 495 H ASP 67 H ASP 67 -2.008 2.336 -6.592 496 HA ASP 67 HA ASP 67 -2.251 -0.003 -8.057 497 1HB ASP 67 2HB ASP 67 -2.383 2.718 -8.621 498 2HB ASP 67 1HB ASP 67 -1.058 2.148 -9.633 499 H GLU 68 H GLU 68 0.584 1.809 -7.150 500 HA GLU 68 HA GLU 68 2.448 0.489 -8.834 501 1HB GLU 68 2HB GLU 68 2.510 2.618 -7.054 502 2HB GLU 68 1HB GLU 68 3.506 1.403 -6.267 503 1HG GLU 68 2HG GLU 68 3.887 2.433 -9.071 504 2HG GLU 68 1HG GLU 68 4.824 2.916 -7.658 505 H LEU 69 H LEU 69 1.176 -0.080 -5.616 506 HA LEU 69 HA LEU 69 2.929 -2.204 -4.931 507 1HB LEU 69 2HB LEU 69 1.109 -0.689 -3.576 508 2HB LEU 69 1HB LEU 69 0.260 -2.218 -3.706 509 HG LEU 69 HG LEU 69 3.054 -1.981 -2.599 510 1HD1 LEU 69 1HD1 LEU 69 0.952 -0.814 -1.407 511 2HD1 LEU 69 2HD1 LEU 69 2.282 -1.561 -0.523 512 3HD1 LEU 69 3HD1 LEU 69 0.782 -2.453 -0.780 513 1HD2 LEU 69 1HD2 LEU 69 2.609 -4.195 -3.308 514 2HD2 LEU 69 2HD2 LEU 69 0.979 -4.159 -2.635 515 3HD2 LEU 69 3HD2 LEU 69 2.376 -4.178 -1.560 516 H LEU 70 H LEU 70 -0.112 -1.978 -6.618 517 HA LEU 70 HA LEU 70 -0.963 -4.623 -6.504 518 1HB LEU 70 2HB LEU 70 -1.829 -2.306 -7.710 519 2HB LEU 70 1HB LEU 70 -1.445 -3.332 -9.078 520 HG LEU 70 HG LEU 70 -3.785 -3.559 -8.512 521 1HD1 LEU 70 1HD1 LEU 70 -3.828 -5.776 -8.863 522 2HD1 LEU 70 2HD1 LEU 70 -2.847 -6.126 -7.439 523 3HD1 LEU 70 3HD1 LEU 70 -2.073 -5.618 -8.940 524 1HD2 LEU 70 1HD2 LEU 70 -4.108 -3.037 -6.311 525 2HD2 LEU 70 2HD2 LEU 70 -2.693 -3.941 -5.772 526 3HD2 LEU 70 3HD2 LEU 70 -4.170 -4.796 -6.215 527 H PHE 71 H PHE 71 1.043 -3.049 -8.993 528 HA PHE 71 HA PHE 71 1.442 -5.438 -10.481 529 1HB PHE 71 2HB PHE 71 1.785 -2.812 -11.027 530 2HB PHE 71 1HB PHE 71 3.454 -3.287 -10.733 531 HD1 PHE 71 1HD PHE 71 3.932 -5.746 -11.884 532 HD2 PHE 71 2HD PHE 71 1.204 -2.772 -13.233 533 HE1 PHE 71 1HE PHE 71 4.076 -6.655 -14.166 534 HE2 PHE 71 2HE PHE 71 1.342 -3.675 -15.518 535 HZ PHE 71 HZ PHE 71 2.779 -5.619 -15.986 536 H ILE 72 H ILE 72 3.617 -3.595 -8.334 537 HA ILE 72 HA ILE 72 5.835 -5.239 -8.505 538 HB ILE 72 HB ILE 72 5.784 -3.033 -7.362 539 1HG1 ILE 72 2HG1 ILE 72 7.011 -4.340 -5.188 540 2HG1 ILE 72 1HG1 ILE 72 7.202 -5.420 -6.565 541 1HG2 ILE 72 1HG2 ILE 72 4.765 -4.468 -4.933 542 2HG2 ILE 72 2HG2 ILE 72 3.683 -3.638 -6.051 543 3HG2 ILE 72 3HG2 ILE 72 4.936 -2.734 -5.201 544 1HD1 ILE 72 1HD1 ILE 72 7.879 -2.516 -6.782 545 2HD1 ILE 72 2HD1 ILE 72 8.444 -3.869 -7.763 546 3HD1 ILE 72 3HD1 ILE 72 9.020 -3.679 -6.107 547 H HIS 73 H HIS 73 2.931 -5.656 -6.563 548 HA HIS 73 HA HIS 73 3.745 -7.547 -4.738 549 1HB HIS 73 2HB HIS 73 1.305 -6.516 -5.575 550 2HB HIS 73 1HB HIS 73 1.157 -8.244 -5.877 551 HD1 HIS 73 1HD HIS 73 -0.536 -6.906 -3.695 552 HD2 HIS 73 2HD HIS 73 3.149 -8.697 -3.006 553 HE1 HIS 73 1HE HIS 73 -0.524 -7.503 -1.253 554 HE2 HIS 73 2HE HIS 73 1.679 -8.666 -0.880 555 H ASP 74 H ASP 74 2.491 -8.204 -8.017 556 HA ASP 74 HA ASP 74 3.088 -10.998 -7.829 557 1HB ASP 74 2HB ASP 74 1.436 -9.565 -9.439 558 2HB ASP 74 1HB ASP 74 2.806 -9.799 -10.522 559 H THR 75 H THR 75 4.785 -8.164 -8.899 560 HA THR 75 HA THR 75 6.782 -9.468 -10.408 561 HB THR 75 HB THR 75 7.081 -6.922 -8.799 562 HG1 THR 75 1HG THR 75 5.967 -7.383 -11.354 563 1HG2 THR 75 1HG2 THR 75 8.827 -8.285 -10.632 564 2HG2 THR 75 2HG2 THR 75 9.124 -6.857 -9.639 565 3HG2 THR 75 3HG2 THR 75 8.395 -6.685 -11.236 566 H GLU 76 H GLU 76 6.070 -9.381 -7.087 567 HA GLU 76 HA GLU 76 8.108 -11.207 -6.466 568 1HB GLU 76 2HB GLU 76 8.651 -8.358 -5.962 569 2HB GLU 76 1HB GLU 76 8.931 -9.413 -4.583 570 1HG GLU 76 2HG GLU 76 10.821 -10.182 -5.446 571 2HG GLU 76 1HG GLU 76 10.053 -10.529 -6.994 572 H PHE 77 H PHE 77 5.807 -11.916 -6.080 573 HA PHE 77 HA PHE 77 4.291 -11.036 -3.919 574 1HB PHE 77 2HB PHE 77 4.207 -13.192 -5.730 575 2HB PHE 77 1HB PHE 77 4.167 -13.910 -4.124 576 HD1 PHE 77 1HD PHE 77 2.116 -13.070 -6.646 577 HD2 PHE 77 2HD PHE 77 2.597 -12.238 -2.500 578 HE1 PHE 77 1HE PHE 77 -0.283 -12.546 -6.478 579 HE2 PHE 77 2HE PHE 77 0.200 -11.713 -2.324 580 HZ PHE 77 HZ PHE 77 -1.243 -11.866 -4.313 581 H ILE 78 H ILE 78 5.484 -10.530 -2.135 582 HA ILE 78 HA ILE 78 6.948 -12.736 -0.849 583 HB ILE 78 HB ILE 78 8.283 -11.107 0.301 584 1HG1 ILE 78 2HG1 ILE 78 6.458 -9.052 -0.972 585 2HG1 ILE 78 1HG1 ILE 78 6.625 -9.395 0.747 586 1HG2 ILE 78 1HG2 ILE 78 8.315 -11.504 -2.434 587 2HG2 ILE 78 2HG2 ILE 78 9.613 -10.808 -1.467 588 3HG2 ILE 78 3HG2 ILE 78 8.448 -9.754 -2.266 589 1HD1 ILE 78 1HD1 ILE 78 8.092 -7.741 0.824 590 2HD1 ILE 78 2HD1 ILE 78 8.145 -7.622 -0.935 591 3HD1 ILE 78 3HD1 ILE 78 9.194 -8.766 -0.096 592 H LEU 79 H LEU 79 6.615 -13.234 1.273 593 HA LEU 79 HA LEU 79 4.032 -12.913 2.310 594 1HB LEU 79 2HB LEU 79 6.501 -14.238 3.068 595 2HB LEU 79 1HB LEU 79 5.641 -13.624 4.465 596 HG LEU 79 HG LEU 79 3.943 -15.078 2.559 597 1HD1 LEU 79 1HD1 LEU 79 5.199 -16.885 2.290 598 2HD1 LEU 79 2HD1 LEU 79 5.148 -17.135 4.035 599 3HD1 LEU 79 3HD1 LEU 79 6.468 -16.215 3.314 600 1HD2 LEU 79 1HD2 LEU 79 4.313 -14.797 5.496 601 2HD2 LEU 79 2HD2 LEU 79 3.499 -16.238 4.887 602 3HD2 LEU 79 3HD2 LEU 79 2.853 -14.638 4.519 603 H PHE 80 H PHE 80 7.091 -11.348 3.247 604 HA PHE 80 HA PHE 80 5.493 -9.440 4.821 605 1HB PHE 80 2HB PHE 80 6.743 -10.429 6.478 606 2HB PHE 80 1HB PHE 80 8.078 -10.799 5.398 607 HD1 PHE 80 1HD PHE 80 6.822 -8.565 7.892 608 HD2 PHE 80 2HD PHE 80 9.588 -8.898 4.678 609 HE1 PHE 80 1HE PHE 80 8.068 -6.638 8.772 610 HE2 PHE 80 2HE PHE 80 10.842 -6.969 5.552 611 HZ PHE 80 HZ PHE 80 10.082 -5.836 7.603 612 H SER 81 H SER 81 5.947 -7.278 4.697 613 HA SER 81 HA SER 81 8.147 -6.325 3.100 614 1HB SER 81 2HB SER 81 6.319 -6.878 1.447 615 2HB SER 81 1HB SER 81 5.341 -5.629 2.220 616 HG SER 81 HG SER 81 6.567 -4.115 1.361 617 H LYS 82 H LYS 82 8.858 -4.429 3.868 618 HA LYS 82 HA LYS 82 7.289 -3.104 5.939 619 1HB LYS 82 2HB LYS 82 9.825 -3.695 6.069 620 2HB LYS 82 1HB LYS 82 10.038 -2.255 5.082 621 1HG LYS 82 2HG LYS 82 10.350 -1.585 7.318 622 2HG LYS 82 1HG LYS 82 8.757 -0.992 6.841 623 1HD LYS 82 2HD LYS 82 8.364 -3.577 7.881 624 2HD LYS 82 1HD LYS 82 9.469 -2.760 8.987 625 1HE LYS 82 2HE LYS 82 6.915 -1.504 8.013 626 2HE LYS 82 1HE LYS 82 6.991 -2.503 9.464 627 1HZ LYS 82 1HZ LYS 82 7.357 0.135 9.459 628 2HZ LYS 82 2HZ LYS 82 8.960 -0.380 9.300 629 3HZ LYS 82 3HZ LYS 82 8.032 -0.898 10.616 630 H PHE 83 H PHE 83 6.822 -0.840 5.879 631 HA PHE 83 HA PHE 83 6.957 0.301 3.163 632 1HB PHE 83 2HB PHE 83 4.692 0.619 5.140 633 2HB PHE 83 1HB PHE 83 4.770 1.323 3.527 634 HD1 PHE 83 1HD PHE 83 5.614 -0.774 1.806 635 HD2 PHE 83 2HD PHE 83 3.071 -0.998 5.211 636 HE1 PHE 83 1HE PHE 83 4.551 -2.788 0.873 637 HE2 PHE 83 2HE PHE 83 2.004 -3.013 4.286 638 HZ PHE 83 HZ PHE 83 2.744 -3.911 2.115 639 H LYS 84 H LYS 84 7.988 2.068 2.988 640 HA LYS 84 HA LYS 84 7.996 4.029 5.164 641 1HB LYS 84 2HB LYS 84 10.213 3.836 5.471 642 2HB LYS 84 1HB LYS 84 10.255 2.518 4.312 643 1HG LYS 84 2HG LYS 84 10.674 4.053 2.509 644 2HG LYS 84 1HG LYS 84 10.486 5.432 3.593 645 1HD LYS 84 2HD LYS 84 12.499 3.376 4.323 646 2HD LYS 84 1HD LYS 84 12.872 4.433 2.960 647 1HE LYS 84 2HE LYS 84 13.767 5.545 4.810 648 2HE LYS 84 1HE LYS 84 12.229 6.358 4.518 649 1HZ LYS 84 1HZ LYS 84 12.852 5.665 6.904 650 2HZ LYS 84 2HZ LYS 84 12.375 4.116 6.422 651 3HZ LYS 84 3HZ LYS 84 11.272 5.397 6.364 652 H VAL 85 H VAL 85 7.002 5.789 4.328 653 HA VAL 85 HA VAL 85 7.299 6.217 1.435 654 HB VAL 85 HB VAL 85 5.119 6.472 1.275 655 1HG1 VAL 85 1HG1 VAL 85 3.644 6.063 3.235 656 2HG1 VAL 85 2HG1 VAL 85 5.082 6.038 4.253 657 3HG1 VAL 85 3HG1 VAL 85 4.874 4.825 2.988 658 1HG2 VAL 85 1HG2 VAL 85 3.900 8.261 2.441 659 2HG2 VAL 85 2HG2 VAL 85 5.398 8.823 1.702 660 3HG2 VAL 85 3HG2 VAL 85 5.322 8.548 3.443 661 H LYS 86 H LYS 86 7.557 8.187 0.574 662 HA LYS 86 HA LYS 86 8.485 10.344 2.342 663 1HB LYS 86 2HB LYS 86 10.166 8.777 0.916 664 2HB LYS 86 1HB LYS 86 9.776 9.972 -0.309 665 1HG LYS 86 2HG LYS 86 11.654 10.882 0.655 666 2HG LYS 86 1HG LYS 86 10.368 11.693 1.550 667 1HD LYS 86 2HD LYS 86 10.739 10.451 3.465 668 2HD LYS 86 1HD LYS 86 11.505 9.130 2.582 669 1HE LYS 86 2HE LYS 86 12.715 11.871 2.891 670 2HE LYS 86 1HE LYS 86 13.065 10.519 3.966 671 1HZ LYS 86 1HZ LYS 86 13.599 10.633 1.048 672 2HZ LYS 86 2HZ LYS 86 13.850 9.272 2.018 673 3HZ LYS 86 3HZ LYS 86 14.752 10.677 2.285 674 H ILE 87 H ILE 87 7.854 12.418 1.692 675 HA ILE 87 HA ILE 87 6.431 12.570 -0.885 676 HB ILE 87 HB ILE 87 5.611 13.948 1.680 677 1HG1 ILE 87 2HG1 ILE 87 4.052 12.012 -0.046 678 2HG1 ILE 87 1HG1 ILE 87 4.975 11.511 1.366 679 1HG2 ILE 87 1HG2 ILE 87 5.128 15.543 0.083 680 2HG2 ILE 87 2HG2 ILE 87 3.636 14.603 0.102 681 3HG2 ILE 87 3HG2 ILE 87 4.828 14.342 -1.173 682 1HD1 ILE 87 1HD1 ILE 87 2.464 13.113 1.212 683 2HD1 ILE 87 2HD1 ILE 87 3.542 13.301 2.597 684 3HD1 ILE 87 3HD1 ILE 87 2.851 11.722 2.226 685 H ASP 88 H ASP 88 7.247 13.998 -2.236 686 HA ASP 88 HA ASP 88 8.702 16.319 -1.173 687 1HB ASP 88 2HB ASP 88 10.223 14.437 -1.937 688 2HB ASP 88 1HB ASP 88 9.615 14.725 -3.567 689 H GLU 89 H GLU 89 7.928 18.164 -1.967 690 HA GLU 89 HA GLU 89 6.357 18.093 -4.453 691 1HB GLU 89 2HB GLU 89 6.350 19.786 -2.018 692 2HB GLU 89 1HB GLU 89 6.050 20.627 -3.532 693 1HG GLU 89 2HG GLU 89 4.239 18.989 -4.007 694 2HG GLU 89 1HG GLU 89 4.487 18.325 -2.392 695 H LYS 90 H LYS 90 7.384 18.497 -6.199 696 HA LYS 90 HA LYS 90 9.548 20.501 -6.173 697 1HB LYS 90 2HB LYS 90 9.847 18.796 -8.432 698 2HB LYS 90 1HB LYS 90 10.934 18.996 -7.066 699 1HG LYS 90 2HG LYS 90 10.484 16.700 -7.189 700 2HG LYS 90 1HG LYS 90 9.499 17.298 -5.852 701 1HD LYS 90 2HD LYS 90 7.785 16.269 -6.855 702 2HD LYS 90 1HD LYS 90 7.835 17.593 -8.025 703 1HE LYS 90 2HE LYS 90 9.044 14.849 -8.243 704 2HE LYS 90 1HE LYS 90 7.863 15.617 -9.305 705 1HZ LYS 90 1HZ LYS 90 9.852 15.764 -10.466 706 2HZ LYS 90 2HZ LYS 90 10.761 16.142 -9.090 707 3HZ LYS 90 3HZ LYS 90 9.717 17.294 -9.756 708 H ASP 91 H ASP 91 9.955 20.794 -8.845 709 HA ASP 91 HA ASP 91 7.878 22.541 -9.584 710 1HB ASP 91 2HB ASP 91 10.482 21.980 -10.451 711 2HB ASP 91 1HB ASP 91 9.455 21.695 -11.852 712 H ASP 92 H ASP 92 7.497 19.366 -9.396 713 HA ASP 92 HA ASP 92 5.832 19.240 -11.826 714 1HB ASP 92 2HB ASP 92 7.946 17.535 -11.115 715 2HB ASP 92 1HB ASP 92 6.482 16.629 -10.745 716 H GLY 93 H GLY 93 4.987 20.361 -9.420 717 1HA GLY 93 2HA GLY 93 3.021 20.303 -8.197 718 2HA GLY 93 1HA GLY 93 2.692 18.709 -8.866 719 H LEU 94 H LEU 94 3.081 16.954 -7.665 720 HA LEU 94 HA LEU 94 4.748 17.234 -5.278 721 1HB LEU 94 2HB LEU 94 3.058 17.002 -3.854 722 2HB LEU 94 1HB LEU 94 1.961 17.191 -5.207 723 HG LEU 94 HG LEU 94 2.161 14.663 -5.510 724 1HD1 LEU 94 1HD1 LEU 94 3.323 13.422 -4.070 725 2HD1 LEU 94 2HD1 LEU 94 2.734 14.325 -2.676 726 3HD1 LEU 94 3HD1 LEU 94 4.111 14.930 -3.602 727 1HD2 LEU 94 1HD2 LEU 94 0.107 15.452 -4.745 728 2HD2 LEU 94 2HD2 LEU 94 0.784 16.018 -3.218 729 3HD2 LEU 94 3HD2 LEU 94 0.588 14.290 -3.509 730 H HIS 95 H HIS 95 5.897 15.406 -4.719 731 HA HIS 95 HA HIS 95 5.493 13.007 -6.393 732 1HB HIS 95 2HB HIS 95 7.427 14.269 -7.221 733 2HB HIS 95 1HB HIS 95 8.137 14.259 -5.610 734 HD1 HIS 95 1HD HIS 95 8.531 12.639 -8.688 735 HD2 HIS 95 2HD HIS 95 8.362 11.296 -4.760 736 HE1 HIS 95 1HE HIS 95 9.641 10.384 -8.700 737 HE2 HIS 95 2HE HIS 95 9.625 9.640 -6.292 738 H LEU 96 H LEU 96 5.821 11.020 -5.405 739 HA LEU 96 HA LEU 96 6.372 11.112 -2.512 740 1HB LEU 96 2HB LEU 96 4.001 10.632 -2.962 741 2HB LEU 96 1HB LEU 96 4.471 9.258 -3.947 742 HG LEU 96 HG LEU 96 5.304 9.399 -1.071 743 1HD1 LEU 96 1HD1 LEU 96 2.812 7.962 -1.797 744 2HD1 LEU 96 2HD1 LEU 96 2.732 9.704 -1.535 745 3HD1 LEU 96 3HD1 LEU 96 3.318 8.646 -0.253 746 1HD2 LEU 96 1HD2 LEU 96 5.587 7.544 -3.206 747 2HD2 LEU 96 2HD2 LEU 96 4.567 6.814 -1.965 748 3HD2 LEU 96 3HD2 LEU 96 6.171 7.417 -1.548 749 H THR 97 H THR 97 7.766 9.643 -1.682 750 HA THR 97 HA THR 97 8.903 7.653 -3.539 751 HB THR 97 HB THR 97 10.676 8.667 -1.411 752 HG1 THR 97 1HG THR 97 9.697 10.605 -2.145 753 1HG2 THR 97 1HG2 THR 97 11.986 8.918 -3.792 754 2HG2 THR 97 2HG2 THR 97 10.908 7.552 -4.086 755 3HG2 THR 97 3HG2 THR 97 12.036 7.510 -2.731 756 H GLY 98 H GLY 98 8.591 5.669 -2.838 757 1HA GLY 98 2HA GLY 98 8.367 5.205 0.062 758 2HA GLY 98 1HA GLY 98 7.372 4.365 -1.110 759 H THR 99 H THR 99 9.200 3.330 0.950 760 HA THR 99 HA THR 99 10.995 1.769 -0.792 761 HB THR 99 HB THR 99 11.563 2.244 2.113 762 HG1 THR 99 1HG THR 99 12.319 3.925 -0.046 763 1HG2 THR 99 1HG2 THR 99 13.154 0.778 1.489 764 2HG2 THR 99 2HG2 THR 99 13.949 2.245 0.918 765 3HG2 THR 99 3HG2 THR 99 13.060 1.225 -0.214 766 H ALA 100 H ALA 100 11.106 -0.436 -0.459 767 HA ALA 100 HA ALA 100 9.464 -1.564 1.698 768 1HB ALA 100 1HB ALA 100 9.103 -1.920 -1.210 769 2HB ALA 100 2HB ALA 100 7.923 -1.994 0.099 770 3HB ALA 100 3HB ALA 100 8.972 -3.374 -0.221 771 H MET 101 H MET 101 10.390 -3.234 2.750 772 HA MET 101 HA MET 101 12.693 -4.572 1.490 773 1HB MET 101 2HB MET 101 13.845 -4.571 3.678 774 2HB MET 101 1HB MET 101 13.584 -2.945 3.062 775 1HG MET 101 2HG MET 101 11.357 -3.641 4.663 776 2HG MET 101 1HG MET 101 12.818 -4.057 5.554 777 1HE MET 101 1HE MET 101 14.902 -0.967 5.059 778 2HE MET 101 2HE MET 101 14.800 -2.679 5.470 779 3HE MET 101 3HE MET 101 14.471 -1.457 6.698 780 H GLY 102 H GLY 102 13.157 -6.714 2.275 781 1HA GLY 102 2HA GLY 102 12.554 -8.601 3.647 782 2HA GLY 102 1HA GLY 102 10.938 -7.930 3.788 783 H GLU 103 H GLU 103 13.159 -8.868 1.171 784 HA GLU 103 HA GLU 103 10.886 -9.886 -0.331 785 1HB GLU 103 2HB GLU 103 12.604 -8.388 -1.396 786 2HB GLU 103 1HB GLU 103 13.753 -9.710 -1.218 787 1HG GLU 103 2HG GLU 103 12.851 -10.933 -2.873 788 2HG GLU 103 1HG GLU 103 11.214 -10.360 -2.559 789 H GLU 104 H GLU 104 10.331 -11.948 -0.081 790 HA GLU 104 HA GLU 104 11.852 -14.152 -0.612 791 1HB GLU 104 2HB GLU 104 13.307 -13.695 1.247 792 2HB GLU 104 1HB GLU 104 11.944 -13.467 2.331 793 1HG GLU 104 2HG GLU 104 11.823 -15.639 2.787 794 2HG GLU 104 1HG GLU 104 11.922 -16.083 1.084 795 H ILE 105 H ILE 105 9.982 -14.985 -1.427 796 HA ILE 105 HA ILE 105 7.610 -15.163 0.236 797 HB ILE 105 HB ILE 105 7.464 -14.625 -2.200 798 1HG1 ILE 105 2HG1 ILE 105 5.565 -16.202 -2.649 799 2HG1 ILE 105 1HG1 ILE 105 6.035 -17.100 -1.208 800 1HG2 ILE 105 1HG2 ILE 105 8.109 -16.031 -3.854 801 2HG2 ILE 105 2HG2 ILE 105 7.759 -17.479 -2.911 802 3HG2 ILE 105 3HG2 ILE 105 9.242 -16.572 -2.615 803 1HD1 ILE 105 1HD1 ILE 105 5.773 -14.358 -0.516 804 2HD1 ILE 105 2HD1 ILE 105 4.829 -15.740 0.042 805 3HD1 ILE 105 3HD1 ILE 105 4.336 -14.860 -1.406 806 H LYS 106 H LYS 106 7.039 -16.884 1.406 807 HA LYS 106 HA LYS 106 8.710 -19.271 1.270 808 1HB LYS 106 2HB LYS 106 7.789 -17.893 3.400 809 2HB LYS 106 1HB LYS 106 6.523 -19.105 3.258 810 1HG LYS 106 2HG LYS 106 8.582 -20.743 3.107 811 2HG LYS 106 1HG LYS 106 9.391 -19.425 3.957 812 1HD LYS 106 2HD LYS 106 8.172 -19.718 5.854 813 2HD LYS 106 1HD LYS 106 6.735 -20.250 4.976 814 1HE LYS 106 2HE LYS 106 7.639 -22.430 4.661 815 2HE LYS 106 1HE LYS 106 9.225 -21.923 5.242 816 1HZ LYS 106 1HZ LYS 106 8.473 -22.828 7.144 817 2HZ LYS 106 2HZ LYS 106 6.842 -22.639 6.741 818 3HZ LYS 106 3HZ LYS 106 7.720 -21.327 7.348 819 H GLU 107 H GLU 107 7.763 -21.407 1.298 820 HA GLU 107 HA GLU 107 5.898 -21.826 -0.742 821 1HB GLU 107 2HB GLU 107 7.626 -23.410 0.675 822 2HB GLU 107 1HB GLU 107 6.066 -23.973 1.261 823 1HG GLU 107 2HG GLU 107 5.502 -24.024 -1.310 824 2HG GLU 107 1HG GLU 107 7.255 -24.146 -1.455 825 H GLY 108 H GLY 108 5.478 -22.236 2.778 826 1HA GLY 108 2HA GLY 108 2.588 -22.396 2.422 827 2HA GLY 108 1HA GLY 108 3.469 -22.645 3.922 828 H HIS 109 H HIS 109 3.111 -19.985 1.574 829 HA HIS 109 HA HIS 109 3.428 -17.922 3.429 830 1HB HIS 109 2HB HIS 109 2.240 -16.519 1.680 831 2HB HIS 109 1HB HIS 109 3.663 -17.394 1.126 832 HD1 HIS 109 1HD HIS 109 0.892 -19.689 1.439 833 HD2 HIS 109 2HD HIS 109 2.217 -16.990 -1.429 834 HE1 HIS 109 1HE HIS 109 -0.253 -20.360 -0.696 835 HE2 HIS 109 2HE HIS 109 0.493 -18.657 -2.395 836 H GLU 110 H GLU 110 2.229 -17.750 5.215 837 HA GLU 110 HA GLU 110 -0.391 -18.651 5.556 838 1HB GLU 110 2HB GLU 110 1.121 -16.495 7.036 839 2HB GLU 110 1HB GLU 110 -0.415 -17.165 7.568 840 1HG GLU 110 2HG GLU 110 0.578 -19.346 7.828 841 2HG GLU 110 1HG GLU 110 2.107 -18.759 7.176 842 H ARG 111 H ARG 111 -2.249 -17.930 4.768 843 HA ARG 111 HA ARG 111 -2.391 -15.143 3.835 844 1HB ARG 111 2HB ARG 111 -4.212 -17.411 3.032 845 2HB ARG 111 1HB ARG 111 -4.063 -15.835 2.268 846 1HG ARG 111 2HG ARG 111 -1.874 -17.899 2.353 847 2HG ARG 111 1HG ARG 111 -2.989 -17.670 1.003 848 1HD ARG 111 2HD ARG 111 -1.544 -15.276 1.978 849 2HD ARG 111 1HD ARG 111 -0.592 -16.492 1.131 850 HE ARG 111 HE ARG 111 -1.751 -16.026 -0.825 851 1HH1 ARG 111 1HH1 ARG 111 -3.076 -14.202 1.846 852 2HH1 ARG 111 2HH1 ARG 111 -3.998 -13.151 0.827 853 1HH2 ARG 111 1HH2 ARG 111 -2.965 -14.641 -2.158 854 2HH2 ARG 111 2HH2 ARG 111 -3.936 -13.398 -1.443 855 H ARG 112 H ARG 112 -3.823 -13.768 4.702 856 HA ARG 112 HA ARG 112 -5.460 -14.715 6.916 857 1HB ARG 112 2HB ARG 112 -4.154 -12.236 6.202 858 2HB ARG 112 1HB ARG 112 -5.846 -11.952 6.585 859 1HG ARG 112 2HG ARG 112 -4.856 -11.712 8.640 860 2HG ARG 112 1HG ARG 112 -5.337 -13.409 8.679 861 1HD ARG 112 2HD ARG 112 -3.066 -14.044 7.971 862 2HD ARG 112 1HD ARG 112 -2.598 -12.344 7.999 863 HE ARG 112 HE ARG 112 -2.907 -14.098 10.255 864 1HH1 ARG 112 1HH1 ARG 112 -2.911 -10.773 9.194 865 2HH1 ARG 112 2HH1 ARG 112 -2.514 -10.143 10.756 866 1HH2 ARG 112 1HH2 ARG 112 -2.385 -13.270 12.312 867 2HH2 ARG 112 2HH2 ARG 112 -2.214 -11.560 12.527 868 H ASP 113 H ASP 113 -6.154 -12.199 4.506 869 HA ASP 113 HA ASP 113 -8.871 -13.282 4.266 870 1HB ASP 113 2HB ASP 113 -7.988 -10.692 4.686 871 2HB ASP 113 1HB ASP 113 -8.373 -10.710 2.967 872 H GLU 114 H GLU 114 -9.880 -13.278 2.123 873 HA GLU 114 HA GLU 114 -7.898 -13.798 0.005 874 1HB GLU 114 2HB GLU 114 -9.666 -15.595 1.075 875 2HB GLU 114 1HB GLU 114 -10.549 -15.015 -0.332 876 1HG GLU 114 2HG GLU 114 -8.601 -15.571 -1.740 877 2HG GLU 114 1HG GLU 114 -7.798 -16.235 -0.318 878 H VAL 115 H VAL 115 -7.880 -12.190 -1.397 879 HA VAL 115 HA VAL 115 -10.425 -10.891 -2.167 880 HB VAL 115 HB VAL 115 -8.760 -9.378 -1.149 881 1HG1 VAL 115 1HG1 VAL 115 -6.600 -9.277 -1.731 882 2HG1 VAL 115 2HG1 VAL 115 -6.960 -9.373 -3.453 883 3HG1 VAL 115 3HG1 VAL 115 -6.883 -10.844 -2.485 884 1HG2 VAL 115 1HG2 VAL 115 -10.029 -8.072 -2.474 885 2HG2 VAL 115 2HG2 VAL 115 -9.784 -9.090 -3.891 886 3HG2 VAL 115 3HG2 VAL 115 -8.541 -7.937 -3.412 887 H LYS 116 H LYS 116 -11.163 -11.692 -4.018 888 HA LYS 116 HA LYS 116 -9.651 -13.166 -5.863 889 1HB LYS 116 2HB LYS 116 -11.620 -13.155 -7.253 890 2HB LYS 116 1HB LYS 116 -12.105 -13.354 -5.575 891 1HG LYS 116 2HG LYS 116 -12.922 -11.156 -5.439 892 2HG LYS 116 1HG LYS 116 -12.108 -10.676 -6.929 893 1HD LYS 116 2HD LYS 116 -14.030 -12.907 -7.152 894 2HD LYS 116 1HD LYS 116 -14.718 -11.321 -6.797 895 1HE LYS 116 2HE LYS 116 -13.382 -10.434 -8.739 896 2HE LYS 116 1HE LYS 116 -13.004 -12.107 -9.145 897 1HZ LYS 116 1HZ LYS 116 -15.101 -10.806 -10.117 898 2HZ LYS 116 2HZ LYS 116 -15.817 -11.494 -8.748 899 3HZ LYS 116 3HZ LYS 116 -15.077 -12.485 -9.902 900 H ALA 117 H ALA 117 -10.155 -9.738 -5.559 901 HA ALA 117 HA ALA 117 -8.183 -9.162 -7.503 902 1HB ALA 117 1HB ALA 117 -9.532 -8.168 -9.258 903 2HB ALA 117 2HB ALA 117 -11.006 -8.636 -8.408 904 3HB ALA 117 3HB ALA 117 -9.931 -9.876 -9.057 905 H VAL 118 H VAL 118 -8.145 -6.824 -8.131 906 HA VAL 118 HA VAL 118 -9.111 -5.114 -5.922 907 HB VAL 118 HB VAL 118 -6.672 -5.383 -5.863 908 1HG1 VAL 118 1HG1 VAL 118 -5.372 -5.396 -7.670 909 2HG1 VAL 118 2HG1 VAL 118 -6.042 -3.872 -8.252 910 3HG1 VAL 118 3HG1 VAL 118 -6.850 -5.392 -8.630 911 1HG2 VAL 118 1HG2 VAL 118 -7.331 -3.314 -5.028 912 2HG2 VAL 118 2HG2 VAL 118 -7.796 -2.709 -6.618 913 3HG2 VAL 118 3HG2 VAL 118 -6.090 -2.899 -6.210 914 H THR 119 H THR 119 -10.783 -3.978 -6.714 915 HA THR 119 HA THR 119 -10.578 -2.893 -9.447 916 HB THR 119 HB THR 119 -12.991 -3.714 -7.823 917 HG1 THR 119 1HG THR 119 -13.049 -5.364 -9.133 918 1HG2 THR 119 1HG2 THR 119 -13.504 -1.649 -9.076 919 2HG2 THR 119 2HG2 THR 119 -14.407 -3.054 -9.644 920 3HG2 THR 119 3HG2 THR 119 -13.020 -2.467 -10.562 921 H PHE 120 H PHE 120 -10.614 -0.747 -9.733 922 HA PHE 120 HA PHE 120 -10.043 1.210 -8.049 923 1HB PHE 120 2HB PHE 120 -11.626 2.738 -9.412 924 2HB PHE 120 1HB PHE 120 -10.347 1.884 -10.269 925 HD1 PHE 120 1HD PHE 120 -10.869 -0.002 -11.723 926 HD2 PHE 120 2HD PHE 120 -13.935 2.207 -9.766 927 HE1 PHE 120 1HE PHE 120 -12.539 -0.982 -13.242 928 HE2 PHE 120 2HE PHE 120 -15.610 1.231 -11.280 929 HZ PHE 120 HZ PHE 120 -14.913 -0.367 -13.022 930 H HIS 121 H HIS 121 -10.776 0.736 -6.008 931 HA HIS 121 HA HIS 121 -13.538 0.680 -5.267 932 1HB HIS 121 2HB HIS 121 -12.168 1.114 -2.955 933 2HB HIS 121 1HB HIS 121 -12.420 -0.462 -3.685 934 HD1 HIS 121 1HD HIS 121 -10.382 -1.632 -4.722 935 HD2 HIS 121 2HD HIS 121 -9.554 2.168 -3.274 936 HE1 HIS 121 1HE HIS 121 -7.878 -1.421 -4.777 937 HE2 HIS 121 2HE HIS 121 -7.406 0.921 -3.985 938 H MET 122 H MET 122 -10.894 2.921 -4.916 939 HA MET 122 HA MET 122 -12.150 5.319 -5.300 940 1HB MET 122 2HB MET 122 -12.428 4.278 -2.525 941 2HB MET 122 1HB MET 122 -11.909 5.950 -2.684 942 1HG MET 122 2HG MET 122 -14.150 5.372 -4.410 943 2HG MET 122 1HG MET 122 -14.510 4.992 -2.727 944 1HE MET 122 1HE MET 122 -12.683 8.648 -4.380 945 2HE MET 122 2HE MET 122 -14.338 8.683 -4.990 946 3HE MET 122 3HE MET 122 -13.320 7.271 -5.279 947 H MET 123 H MET 123 -10.027 3.859 -2.863 948 HA MET 123 HA MET 123 -7.863 4.306 -2.275 949 1HB MET 123 2HB MET 123 -8.009 3.009 -4.555 950 2HB MET 123 1HB MET 123 -7.290 4.468 -5.210 951 1HG MET 123 2HG MET 123 -5.650 4.030 -3.131 952 2HG MET 123 1HG MET 123 -6.139 2.377 -3.488 953 1HE MET 123 1HE MET 123 -5.233 2.268 -7.367 954 2HE MET 123 2HE MET 123 -6.750 2.642 -6.550 955 3HE MET 123 3HE MET 123 -5.785 1.261 -6.028 956 H GLU 124 H GLU 124 -8.827 6.541 -1.696 957 HA GLU 124 HA GLU 124 -7.014 8.534 -2.828 958 1HB GLU 124 2HB GLU 124 -10.007 8.727 -2.727 959 2HB GLU 124 1HB GLU 124 -9.029 10.181 -2.595 960 1HG GLU 124 2HG GLU 124 -7.897 9.130 -4.761 961 2HG GLU 124 1HG GLU 124 -9.498 8.409 -4.914 962 H ILE 125 H ILE 125 -6.331 10.074 -1.350 963 HA ILE 125 HA ILE 125 -6.978 9.432 1.421 964 HB ILE 125 HB ILE 125 -5.043 11.039 1.905 965 1HG1 ILE 125 2HG1 ILE 125 -4.236 10.424 -0.926 966 2HG1 ILE 125 1HG1 ILE 125 -5.136 11.888 -0.541 967 1HG2 ILE 125 1HG2 ILE 125 -4.460 8.903 2.367 968 2HG2 ILE 125 2HG2 ILE 125 -3.408 9.157 0.974 969 3HG2 ILE 125 3HG2 ILE 125 -4.943 8.309 0.778 970 1HD1 ILE 125 1HD1 ILE 125 -3.392 12.788 0.681 971 2HD1 ILE 125 2HD1 ILE 125 -2.571 11.989 -0.659 972 3HD1 ILE 125 3HD1 ILE 125 -2.622 11.221 0.928 973 H LEU 126 H LEU 126 -8.535 10.536 2.347 974 HA LEU 126 HA LEU 126 -8.990 13.330 1.537 975 1HB LEU 126 2HB LEU 126 -10.819 11.434 1.602 976 2HB LEU 126 1HB LEU 126 -10.857 11.815 3.313 977 HG LEU 126 HG LEU 126 -12.607 13.017 2.138 978 1HD1 LEU 126 1HD1 LEU 126 -10.722 15.224 2.674 979 2HD1 LEU 126 2HD1 LEU 126 -10.971 14.066 3.980 980 3HD1 LEU 126 3HD1 LEU 126 -12.346 14.937 3.300 981 1HD2 LEU 126 1HD2 LEU 126 -10.408 14.348 0.565 982 2HD2 LEU 126 2HD2 LEU 126 -12.141 14.641 0.425 983 3HD2 LEU 126 3HD2 LEU 126 -11.467 13.085 -0.062 984 H ASP 127 H ASP 127 -8.764 14.989 2.978 985 HA ASP 127 HA ASP 127 -7.645 14.254 5.580 986 1HB ASP 127 2HB ASP 127 -6.910 16.685 5.610 987 2HB ASP 127 1HB ASP 127 -6.164 15.662 4.387 988 H GLU 128 H GLU 128 -8.795 14.453 7.354 989 HA GLU 128 HA GLU 128 -10.980 16.425 7.437 990 1HB GLU 128 2HB GLU 128 -11.634 13.924 7.297 991 2HB GLU 128 1HB GLU 128 -11.078 13.836 8.963 992 1HG GLU 128 2HG GLU 128 -13.482 14.151 8.851 993 2HG GLU 128 1HG GLU 128 -12.694 15.535 9.607 994 H ASP 129 H ASP 129 -10.824 17.861 9.068 995 HA ASP 129 HA ASP 129 -10.089 18.903 10.968 996 1HB ASP 129 2HB ASP 129 -11.026 16.508 11.775 997 2HB ASP 129 1HB ASP 129 -9.351 16.363 12.299 998 H GLY 130 H GLY 130 -8.171 17.846 8.853 999 1HA GLY 130 2HA GLY 130 -5.911 18.445 8.575 1000 2HA GLY 130 1HA GLY 130 -5.741 18.510 10.325 1001 H LEU 131 H LEU 131 -7.373 15.736 9.679 1002 HA LEU 131 HA LEU 131 -4.920 14.141 9.835 1003 1HB LEU 131 2HB LEU 131 -7.732 13.766 10.742 1004 2HB LEU 131 1HB LEU 131 -6.813 12.334 10.321 1005 HG LEU 131 HG LEU 131 -5.932 14.374 12.362 1006 1HD1 LEU 131 1HD1 LEU 131 -6.505 12.583 14.001 1007 2HD1 LEU 131 2HD1 LEU 131 -7.324 11.725 12.695 1008 3HD1 LEU 131 3HD1 LEU 131 -7.898 13.313 13.202 1009 1HD2 LEU 131 1HD2 LEU 131 -4.890 11.633 11.662 1010 2HD2 LEU 131 2HD2 LEU 131 -4.328 12.631 13.003 1011 3HD2 LEU 131 3HD2 LEU 131 -4.087 13.170 11.341 1012 H ILE 132 H ILE 132 -4.535 12.430 8.421 1013 HA ILE 132 HA ILE 132 -6.030 12.595 5.901 1014 HB ILE 132 HB ILE 132 -4.014 10.970 5.241 1015 1HG1 ILE 132 2HG1 ILE 132 -3.197 11.299 7.711 1016 2HG1 ILE 132 1HG1 ILE 132 -2.030 11.301 6.396 1017 1HG2 ILE 132 1HG2 ILE 132 -2.759 13.311 4.826 1018 2HG2 ILE 132 2HG2 ILE 132 -4.387 13.894 5.176 1019 3HG2 ILE 132 3HG2 ILE 132 -4.125 12.749 3.861 1020 1HD1 ILE 132 1HD1 ILE 132 -3.195 13.781 7.638 1021 2HD1 ILE 132 2HD1 ILE 132 -1.895 13.693 6.446 1022 3HD1 ILE 132 3HD1 ILE 132 -1.643 13.067 8.076 1023 H LYS 133 H LYS 133 -7.113 10.923 5.042 1024 HA LYS 133 HA LYS 133 -6.835 8.291 6.306 1025 1HB LYS 133 2HB LYS 133 -9.481 9.582 5.605 1026 2HB LYS 133 1HB LYS 133 -9.256 7.971 6.275 1027 1HG LYS 133 2HG LYS 133 -9.639 8.957 8.238 1028 2HG LYS 133 1HG LYS 133 -7.967 9.507 8.114 1029 1HD LYS 133 2HD LYS 133 -8.766 11.586 8.267 1030 2HD LYS 133 1HD LYS 133 -9.399 11.365 6.635 1031 1HE LYS 133 2HE LYS 133 -11.271 12.040 7.825 1032 2HE LYS 133 1HE LYS 133 -11.425 10.284 7.818 1033 1HZ LYS 133 1HZ LYS 133 -11.103 10.160 10.024 1034 2HZ LYS 133 2HZ LYS 133 -11.602 11.776 10.015 1035 3HZ LYS 133 3HZ LYS 133 -9.953 11.402 10.053 1036 H ALA 134 H ALA 134 -6.852 6.624 4.883 1037 HA ALA 134 HA ALA 134 -7.316 7.239 2.034 1038 1HB ALA 134 1HB ALA 134 -5.683 4.888 2.847 1039 2HB ALA 134 2HB ALA 134 -4.973 6.495 2.996 1040 3HB ALA 134 3HB ALA 134 -5.544 5.924 1.428 1041 H ARG 135 H ARG 135 -8.436 5.689 0.738 1042 HA ARG 135 HA ARG 135 -9.840 3.605 2.279 1043 1HB ARG 135 2HB ARG 135 -11.565 4.315 0.208 1044 2HB ARG 135 1HB ARG 135 -11.774 4.616 1.932 1045 1HG ARG 135 2HG ARG 135 -11.215 6.807 1.753 1046 2HG ARG 135 1HG ARG 135 -10.107 6.531 0.393 1047 1HD ARG 135 2HD ARG 135 -12.257 5.876 -0.875 1048 2HD ARG 135 1HD ARG 135 -13.088 6.763 0.399 1049 HE ARG 135 HE ARG 135 -11.507 7.872 -1.740 1050 1HH1 ARG 135 1HH1 ARG 135 -12.801 8.417 1.456 1051 2HH1 ARG 135 2HH1 ARG 135 -12.742 10.143 1.323 1052 1HH2 ARG 135 1HH2 ARG 135 -11.428 10.143 -1.916 1053 2HH2 ARG 135 2HH2 ARG 135 -11.964 11.122 -0.592 1054 H VAL 136 H VAL 136 -9.559 1.647 1.566 1055 HA VAL 136 HA VAL 136 -9.404 1.234 -1.329 1056 HB VAL 136 HB VAL 136 -7.721 -0.354 0.597 1057 1HG1 VAL 136 1HG1 VAL 136 -7.180 -1.630 -1.154 1058 2HG1 VAL 136 2HG1 VAL 136 -6.900 -0.227 -2.184 1059 3HG1 VAL 136 3HG1 VAL 136 -8.528 -0.874 -2.001 1060 1HG2 VAL 136 1HG2 VAL 136 -6.997 2.001 0.561 1061 2HG2 VAL 136 2HG2 VAL 136 -6.850 1.915 -1.195 1062 3HG2 VAL 136 3HG2 VAL 136 -5.806 0.927 -0.172 1063 H ILE 137 H ILE 137 -11.086 0.091 -1.871 1064 HA ILE 137 HA ILE 137 -12.203 -2.055 -0.262 1065 HB ILE 137 HB ILE 137 -13.424 0.008 -1.930 1066 1HG1 ILE 137 2HG1 ILE 137 -14.381 -1.901 0.197 1067 2HG1 ILE 137 1HG1 ILE 137 -14.058 -0.180 0.354 1068 1HG2 ILE 137 1HG2 ILE 137 -15.281 -1.543 -2.718 1069 2HG2 ILE 137 2HG2 ILE 137 -14.155 -2.864 -2.429 1070 3HG2 ILE 137 3HG2 ILE 137 -13.763 -1.617 -3.606 1071 1HD1 ILE 137 1HD1 ILE 137 -16.279 -1.375 -1.284 1072 2HD1 ILE 137 2HD1 ILE 137 -15.988 0.341 -0.992 1073 3HD1 ILE 137 3HD1 ILE 137 -16.451 -0.715 0.342 1074 H LEU 138 H LEU 138 -11.561 -4.003 -0.859 1075 HA LEU 138 HA LEU 138 -10.804 -4.432 -3.651 1076 1HB LEU 138 2HB LEU 138 -10.069 -6.116 -1.272 1077 2HB LEU 138 1HB LEU 138 -9.439 -6.253 -2.903 1078 HG LEU 138 HG LEU 138 -8.654 -4.438 -0.743 1079 1HD1 LEU 138 1HD1 LEU 138 -7.341 -6.266 -2.016 1080 2HD1 LEU 138 2HD1 LEU 138 -6.538 -4.752 -1.604 1081 3HD1 LEU 138 3HD1 LEU 138 -7.131 -5.017 -3.243 1082 1HD2 LEU 138 1HD2 LEU 138 -9.368 -3.367 -3.429 1083 2HD2 LEU 138 2HD2 LEU 138 -7.883 -2.794 -2.677 1084 3HD2 LEU 138 3HD2 LEU 138 -9.424 -2.592 -1.847 1085 H ASP 139 H ASP 139 -11.334 -6.337 -4.727 1086 HA ASP 139 HA ASP 139 -14.060 -7.110 -4.236 1087 1HB ASP 139 2HB ASP 139 -12.496 -6.833 -6.493 1088 2HB ASP 139 1HB ASP 139 -12.689 -8.577 -6.351 1089 H LEU 140 H LEU 140 -14.572 -8.615 -2.872 1090 HA LEU 140 HA LEU 140 -14.294 -10.354 -1.384 1091 1HB LEU 140 2HB LEU 140 -14.395 -11.475 -4.152 1092 2HB LEU 140 1HB LEU 140 -14.300 -12.550 -2.774 1093 HG LEU 140 HG LEU 140 -16.538 -10.715 -3.567 1094 1HD1 LEU 140 1HD1 LEU 140 -16.108 -13.628 -3.226 1095 2HD1 LEU 140 2HD1 LEU 140 -17.009 -12.749 -4.462 1096 3HD1 LEU 140 3HD1 LEU 140 -17.706 -12.977 -2.857 1097 1HD2 LEU 140 1HD2 LEU 140 -16.051 -11.914 -0.844 1098 2HD2 LEU 140 2HD2 LEU 140 -17.613 -11.304 -1.391 1099 3HD2 LEU 140 3HD2 LEU 140 -16.239 -10.207 -1.244 Start of MODEL 9 1 1H MET 1 1HT MET 1 -3.790 -0.380 16.780 2 2H MET 1 2HT MET 1 -3.294 -0.446 18.422 3 3H MET 1 3HT MET 1 -2.121 -0.438 17.169 4 HA MET 1 HA MET 1 -4.034 1.751 17.532 5 1HB MET 1 2HB MET 1 -2.785 1.330 19.639 6 2HB MET 1 1HB MET 1 -1.277 1.485 18.750 7 1HG MET 1 2HG MET 1 -1.467 3.747 18.539 8 2HG MET 1 1HG MET 1 -3.228 3.717 18.604 9 1HE MET 1 1HE MET 1 0.040 3.180 20.975 10 2HE MET 1 2HE MET 1 -0.984 1.743 20.936 11 3HE MET 1 3HE MET 1 -0.873 2.706 22.409 12 H LYS 2 H LYS 2 -2.911 0.412 15.177 13 HA LYS 2 HA LYS 2 -0.787 2.085 14.193 14 1HB LYS 2 2HB LYS 2 -2.523 0.251 12.549 15 2HB LYS 2 1HB LYS 2 -0.882 0.781 12.209 16 1HG LYS 2 2HG LYS 2 -0.133 -0.484 14.223 17 2HG LYS 2 1HG LYS 2 -1.772 -1.127 14.357 18 1HD LYS 2 2HD LYS 2 -1.377 -2.651 12.780 19 2HD LYS 2 1HD LYS 2 -0.763 -1.426 11.669 20 1HE LYS 2 2HE LYS 2 1.427 -1.547 12.732 21 2HE LYS 2 1HE LYS 2 0.818 -2.740 13.877 22 1HZ LYS 2 1HZ LYS 2 2.062 -3.385 11.629 23 2HZ LYS 2 2HZ LYS 2 0.471 -3.368 11.059 24 3HZ LYS 2 3HZ LYS 2 0.896 -4.376 12.349 25 H GLY 3 H GLY 3 -4.236 2.178 14.199 26 1HA GLY 3 2HA GLY 3 -5.461 4.138 13.696 27 2HA GLY 3 1HA GLY 3 -4.139 4.674 12.670 28 H PHE 4 H PHE 4 -4.927 1.418 12.157 29 HA PHE 4 HA PHE 4 -6.347 2.155 9.695 30 1HB PHE 4 2HB PHE 4 -5.274 0.477 8.620 31 2HB PHE 4 1HB PHE 4 -4.107 0.698 9.914 32 HD1 PHE 4 1HD PHE 4 -4.566 -0.744 12.070 33 HD2 PHE 4 2HD PHE 4 -6.040 -1.650 8.182 34 HE1 PHE 4 1HE PHE 4 -4.829 -3.102 12.723 35 HE2 PHE 4 2HE PHE 4 -6.306 -4.009 8.829 36 HZ PHE 4 HZ PHE 4 -5.700 -4.737 11.102 37 H GLU 5 H GLU 5 -8.306 1.305 9.178 38 HA GLU 5 HA GLU 5 -9.509 -0.733 10.878 39 1HB GLU 5 2HB GLU 5 -11.530 0.601 11.274 40 2HB GLU 5 1HB GLU 5 -10.114 1.367 11.982 41 1HG GLU 5 2HG GLU 5 -10.150 3.113 10.517 42 2HG GLU 5 1HG GLU 5 -10.925 2.174 9.243 43 H PHE 6 H PHE 6 -11.127 -1.913 9.845 44 HA PHE 6 HA PHE 6 -11.476 -1.272 6.990 45 1HB PHE 6 2HB PHE 6 -11.959 -3.792 6.816 46 2HB PHE 6 1HB PHE 6 -10.292 -3.290 7.061 47 HD1 PHE 6 1HD PHE 6 -13.078 -5.145 8.387 48 HD2 PHE 6 2HD PHE 6 -9.276 -3.482 9.328 49 HE1 PHE 6 1HE PHE 6 -12.942 -6.589 10.374 50 HE2 PHE 6 2HE PHE 6 -9.132 -4.924 11.316 51 HZ PHE 6 HZ PHE 6 -10.967 -6.481 11.841 52 H PHE 7 H PHE 7 -13.475 -1.547 6.012 53 HA PHE 7 HA PHE 7 -15.746 -1.697 7.879 54 1HB PHE 7 2HB PHE 7 -16.882 -0.647 5.672 55 2HB PHE 7 1HB PHE 7 -16.164 0.335 6.942 56 HD1 PHE 7 1HD PHE 7 -14.189 1.614 6.550 57 HD2 PHE 7 2HD PHE 7 -15.676 -1.030 3.562 58 HE1 PHE 7 1HE PHE 7 -12.690 2.652 4.889 59 HE2 PHE 7 2HE PHE 7 -14.180 0.001 1.904 60 HZ PHE 7 HZ PHE 7 -12.686 1.841 2.566 61 H ASP 8 H ASP 8 -17.398 -3.120 7.485 62 HA ASP 8 HA ASP 8 -16.740 -5.363 5.838 63 1HB ASP 8 2HB ASP 8 -18.927 -6.266 6.679 64 2HB ASP 8 1HB ASP 8 -17.761 -5.838 7.926 65 H VAL 9 H VAL 9 -16.881 -5.030 3.715 66 HA VAL 9 HA VAL 9 -19.427 -4.041 2.619 67 HB VAL 9 HB VAL 9 -16.632 -3.778 1.675 68 1HG1 VAL 9 1HG1 VAL 9 -16.971 -3.993 -0.598 69 2HG1 VAL 9 2HG1 VAL 9 -18.722 -3.840 -0.459 70 3HG1 VAL 9 3HG1 VAL 9 -17.928 -5.335 0.014 71 1HG2 VAL 9 1HG2 VAL 9 -17.600 -1.771 0.617 72 2HG2 VAL 9 2HG2 VAL 9 -17.851 -1.848 2.366 73 3HG2 VAL 9 3HG2 VAL 9 -19.173 -2.247 1.263 74 H THR 10 H THR 10 -20.408 -5.203 0.910 75 HA THR 10 HA THR 10 -19.815 -8.049 1.028 76 HB THR 10 HB THR 10 -22.174 -6.550 -0.114 77 HG1 THR 10 1HG THR 10 -21.801 -8.053 2.254 78 1HG2 THR 10 1HG2 THR 10 -21.901 -8.630 -1.331 79 2HG2 THR 10 2HG2 THR 10 -23.306 -8.705 -0.268 80 3HG2 THR 10 3HG2 THR 10 -21.812 -9.523 0.187 81 H ALA 11 H ALA 11 -18.264 -8.647 -0.405 82 HA ALA 11 HA ALA 11 -17.855 -9.336 -2.678 83 1HB ALA 11 1HB ALA 11 -18.716 -6.557 -3.486 84 2HB ALA 11 2HB ALA 11 -19.772 -7.971 -3.556 85 3HB ALA 11 3HB ALA 11 -18.314 -7.910 -4.547 86 H ASP 12 H ASP 12 -17.333 -6.114 -1.429 87 HA ASP 12 HA ASP 12 -14.464 -6.379 -1.989 88 1HB ASP 12 2HB ASP 12 -15.052 -3.626 -1.714 89 2HB ASP 12 1HB ASP 12 -14.521 -4.470 -3.154 90 H ALA 13 H ALA 13 -13.143 -4.889 -0.583 91 HA ALA 13 HA ALA 13 -14.283 -4.291 2.018 92 1HB ALA 13 1HB ALA 13 -11.997 -5.495 2.855 93 2HB ALA 13 2HB ALA 13 -12.463 -6.549 1.520 94 3HB ALA 13 3HB ALA 13 -13.583 -6.267 2.853 95 H GLY 14 H GLY 14 -13.580 -2.269 2.475 96 1HA GLY 14 2HA GLY 14 -10.927 -1.498 1.413 97 2HA GLY 14 1HA GLY 14 -12.261 -0.371 1.545 98 H PHE 15 H PHE 15 -9.453 -0.673 2.770 99 HA PHE 15 HA PHE 15 -10.244 -0.501 5.591 100 1HB PHE 15 2HB PHE 15 -7.393 -0.609 4.682 101 2HB PHE 15 1HB PHE 15 -8.083 -1.118 6.213 102 HD1 PHE 15 1HD PHE 15 -8.159 -1.994 2.585 103 HD2 PHE 15 2HD PHE 15 -8.414 -3.355 6.608 104 HE1 PHE 15 1HE PHE 15 -8.236 -4.319 1.789 105 HE2 PHE 15 2HE PHE 15 -8.491 -5.684 5.819 106 HZ PHE 15 HZ PHE 15 -8.401 -6.168 3.407 107 H TRP 16 H TRP 16 -9.588 1.209 6.848 108 HA TRP 16 HA TRP 16 -8.670 3.581 5.377 109 1HB TRP 16 2HB TRP 16 -11.115 3.234 6.688 110 2HB TRP 16 1HB TRP 16 -10.150 4.199 7.801 111 HD1 TRP 16 HD TRP 16 -8.618 6.045 5.759 112 HE1 TRP 16 1HE TRP 16 -9.901 7.835 4.427 113 HE3 TRP 16 3HE TRP 16 -13.331 4.090 6.096 114 HZ2 TRP 16 2HZ TRP 16 -12.558 8.351 3.625 115 HZ3 TRP 16 3HZ TRP 16 -15.187 5.293 5.019 116 HH2 TRP 16 HH TRP 16 -14.807 7.380 3.811 117 H ALA 17 H ALA 17 -6.831 4.408 6.080 118 HA ALA 17 HA ALA 17 -5.984 3.838 8.844 119 1HB ALA 17 1HB ALA 17 -3.965 4.198 6.674 120 2HB ALA 17 2HB ALA 17 -4.757 2.633 6.864 121 3HB ALA 17 3HB ALA 17 -3.831 3.321 8.198 122 H TYR 18 H TYR 18 -4.813 5.377 9.892 123 HA TYR 18 HA TYR 18 -5.160 8.033 8.712 124 1HB TYR 18 2HB TYR 18 -4.803 7.994 11.590 125 2HB TYR 18 1HB TYR 18 -6.035 8.766 10.616 126 HD1 TYR 18 1HD TYR 18 -5.766 6.767 13.270 127 HD2 TYR 18 2HD TYR 18 -7.529 6.681 9.403 128 HE1 TYR 18 1HE TYR 18 -7.422 5.140 14.070 129 HE2 TYR 18 2HE TYR 18 -9.191 5.051 10.189 130 HH TYR 18 HH TYR 18 -9.606 4.308 13.516 131 H GLY 19 H GLY 19 -3.591 9.592 8.928 132 1HA GLY 19 2HA GLY 19 -0.893 8.552 9.505 133 2HA GLY 19 1HA GLY 19 -1.242 9.842 8.414 134 H HIS 20 H HIS 20 0.461 10.618 9.485 135 HA HIS 20 HA HIS 20 -0.348 12.400 11.585 136 1HB HIS 20 2HB HIS 20 2.279 11.542 12.105 137 2HB HIS 20 1HB HIS 20 0.854 11.331 13.080 138 HD1 HIS 20 1HD HIS 20 3.463 9.445 11.626 139 HD2 HIS 20 2HD HIS 20 -0.605 8.833 12.207 140 HE1 HIS 20 1HE HIS 20 3.128 6.959 11.467 141 HE2 HIS 20 2HE HIS 20 0.671 6.606 11.898 142 H ASP 21 H ASP 21 0.720 11.998 8.579 143 HA ASP 21 HA ASP 21 1.741 14.609 8.292 144 1HB ASP 21 2HB ASP 21 3.707 12.614 9.052 145 2HB ASP 21 1HB ASP 21 4.106 13.359 7.508 146 H LEU 22 H LEU 22 0.009 12.580 7.004 147 HA LEU 22 HA LEU 22 -0.778 12.212 4.913 148 1HB LEU 22 2HB LEU 22 1.609 13.840 4.035 149 2HB LEU 22 1HB LEU 22 0.343 13.273 2.966 150 HG LEU 22 HG LEU 22 -0.544 14.863 5.298 151 1HD1 LEU 22 1HD1 LEU 22 -0.047 16.886 3.613 152 2HD1 LEU 22 2HD1 LEU 22 1.356 15.872 3.276 153 3HD1 LEU 22 3HD1 LEU 22 1.042 16.426 4.921 154 1HD2 LEU 22 1HD2 LEU 22 -2.123 15.728 3.692 155 2HD2 LEU 22 2HD2 LEU 22 -2.074 13.969 3.574 156 3HD2 LEU 22 3HD2 LEU 22 -1.249 14.957 2.367 157 H GLU 23 H GLU 23 2.793 11.957 4.856 158 HA GLU 23 HA GLU 23 2.798 9.770 3.072 159 1HB GLU 23 2HB GLU 23 5.111 9.519 3.571 160 2HB GLU 23 1HB GLU 23 4.781 11.232 3.620 161 1HG GLU 23 2HG GLU 23 4.599 9.803 6.182 162 2HG GLU 23 1HG GLU 23 6.197 9.915 5.465 163 H GLU 24 H GLU 24 2.418 10.060 6.499 164 HA GLU 24 HA GLU 24 2.908 7.457 7.338 165 1HB GLU 24 2HB GLU 24 0.775 9.252 8.477 166 2HB GLU 24 1HB GLU 24 1.696 8.019 9.318 167 1HG GLU 24 2HG GLU 24 2.864 10.543 8.166 168 2HG GLU 24 1HG GLU 24 2.410 10.320 9.850 169 H VAL 25 H VAL 25 -0.088 8.871 6.005 170 HA VAL 25 HA VAL 25 -1.619 6.493 6.453 171 HB VAL 25 HB VAL 25 -3.163 7.544 4.654 172 1HG1 VAL 25 1HG1 VAL 25 -2.891 9.307 7.025 173 2HG1 VAL 25 2HG1 VAL 25 -3.220 7.591 7.272 174 3HG1 VAL 25 3HG1 VAL 25 -4.330 8.574 6.317 175 1HG2 VAL 25 1HG2 VAL 25 -2.920 9.920 4.323 176 2HG2 VAL 25 2HG2 VAL 25 -1.476 9.090 3.751 177 3HG2 VAL 25 3HG2 VAL 25 -1.452 9.939 5.297 178 H PHE 26 H PHE 26 0.020 7.857 3.623 179 HA PHE 26 HA PHE 26 -0.777 6.094 1.672 180 1HB PHE 26 2HB PHE 26 1.752 7.607 2.157 181 2HB PHE 26 1HB PHE 26 1.690 6.454 0.828 182 HD1 PHE 26 1HD PHE 26 -0.854 6.741 -0.367 183 HD2 PHE 26 2HD PHE 26 1.588 9.749 1.386 184 HE1 PHE 26 1HE PHE 26 -1.939 8.440 -1.778 185 HE2 PHE 26 2HE PHE 26 0.507 11.454 -0.021 186 HZ PHE 26 HZ PHE 26 -1.260 10.799 -1.605 187 H GLU 27 H GLU 27 1.869 5.687 4.005 188 HA GLU 27 HA GLU 27 2.892 3.274 3.090 189 1HB GLU 27 2HB GLU 27 2.636 4.137 5.979 190 2HB GLU 27 1HB GLU 27 3.755 2.944 5.344 191 1HG GLU 27 2HG GLU 27 4.916 4.634 4.086 192 2HG GLU 27 1HG GLU 27 3.759 5.852 4.612 193 H ASN 28 H ASN 28 0.235 3.877 5.353 194 HA ASN 28 HA ASN 28 -0.314 1.136 5.864 195 1HB ASN 28 2HB ASN 28 -1.836 3.691 6.330 196 2HB ASN 28 1HB ASN 28 -2.553 2.122 6.685 197 1HD2 ASN 28 1HD2 ASN 28 -0.673 4.618 7.858 198 2HD2 ASN 28 2HD2 ASN 28 -0.041 3.834 9.262 199 H ALA 29 H ALA 29 -1.276 3.373 3.381 200 HA ALA 29 HA ALA 29 -3.633 2.264 2.455 201 1HB ALA 29 1HB ALA 29 -1.468 3.330 0.656 202 2HB ALA 29 2HB ALA 29 -2.507 4.360 1.641 203 3HB ALA 29 3HB ALA 29 -3.211 3.342 0.384 204 H ALA 30 H ALA 30 -0.411 1.007 2.256 205 HA ALA 30 HA ALA 30 -1.274 -1.069 0.369 206 1HB ALA 30 1HB ALA 30 0.882 0.325 0.068 207 2HB ALA 30 2HB ALA 30 0.952 -1.418 -0.193 208 3HB ALA 30 3HB ALA 30 1.545 -0.729 1.318 209 H LEU 31 H LEU 31 -0.299 -0.513 3.654 210 HA LEU 31 HA LEU 31 0.341 -3.171 4.366 211 1HB LEU 31 2HB LEU 31 0.617 -0.820 5.602 212 2HB LEU 31 1HB LEU 31 -0.859 -1.351 6.384 213 HG LEU 31 HG LEU 31 0.991 -1.972 7.771 214 1HD1 LEU 31 1HD1 LEU 31 0.450 -4.605 6.535 215 2HD1 LEU 31 2HD1 LEU 31 -0.944 -3.668 7.073 216 3HD1 LEU 31 3HD1 LEU 31 0.329 -4.092 8.218 217 1HD2 LEU 31 1HD2 LEU 31 2.114 -3.406 5.367 218 2HD2 LEU 31 2HD2 LEU 31 2.802 -3.397 6.992 219 3HD2 LEU 31 3HD2 LEU 31 2.735 -1.906 6.054 220 H ALA 32 H ALA 32 -2.677 -1.320 4.492 221 HA ALA 32 HA ALA 32 -4.284 -3.078 5.889 222 1HB ALA 32 1HB ALA 32 -5.639 -1.356 5.496 223 2HB ALA 32 2HB ALA 32 -5.948 -2.059 3.903 224 3HB ALA 32 3HB ALA 32 -4.684 -0.844 4.103 225 H MET 33 H MET 33 -3.766 -2.989 2.364 226 HA MET 33 HA MET 33 -5.340 -5.299 1.854 227 1HB MET 33 2HB MET 33 -4.909 -3.597 0.141 228 2HB MET 33 1HB MET 33 -3.199 -4.004 0.158 229 1HG MET 33 2HG MET 33 -4.122 -6.410 -0.393 230 2HG MET 33 1HG MET 33 -5.494 -5.485 -1.001 231 1HE MET 33 1HE MET 33 -1.835 -5.350 -0.654 232 2HE MET 33 2HE MET 33 -1.304 -4.344 -2.002 233 3HE MET 33 3HE MET 33 -1.370 -6.098 -2.182 234 H PHE 34 H PHE 34 -1.827 -4.772 2.068 235 HA PHE 34 HA PHE 34 -1.060 -7.406 1.499 236 1HB PHE 34 2HB PHE 34 0.250 -5.028 2.093 237 2HB PHE 34 1HB PHE 34 0.697 -6.094 3.421 238 HD1 PHE 34 1HD PHE 34 2.910 -6.644 2.996 239 HD2 PHE 34 2HD PHE 34 0.048 -6.939 -0.139 240 HE1 PHE 34 1HE PHE 34 4.595 -7.721 1.564 241 HE2 PHE 34 2HE PHE 34 1.728 -8.017 -1.576 242 HZ PHE 34 HZ PHE 34 4.005 -8.409 -0.725 243 H GLU 35 H GLU 35 -2.114 -5.884 4.474 244 HA GLU 35 HA GLU 35 -1.291 -7.855 6.290 245 1HB GLU 35 2HB GLU 35 -3.121 -5.578 6.295 246 2HB GLU 35 1HB GLU 35 -3.665 -6.888 7.334 247 1HG GLU 35 2HG GLU 35 -0.825 -6.109 7.554 248 2HG GLU 35 1HG GLU 35 -2.018 -4.959 8.151 249 H VAL 36 H VAL 36 -4.184 -7.578 4.296 250 HA VAL 36 HA VAL 36 -5.323 -10.003 5.400 251 HB VAL 36 HB VAL 36 -7.081 -9.652 3.624 252 1HG1 VAL 36 1HG1 VAL 36 -8.264 -8.386 5.066 253 2HG1 VAL 36 2HG1 VAL 36 -7.029 -7.129 5.140 254 3HG1 VAL 36 3HG1 VAL 36 -6.847 -8.602 6.093 255 1HG2 VAL 36 1HG2 VAL 36 -5.680 -7.008 3.251 256 2HG2 VAL 36 2HG2 VAL 36 -7.187 -7.520 2.493 257 3HG2 VAL 36 3HG2 VAL 36 -5.676 -8.331 2.085 258 H MET 37 H MET 37 -3.836 -8.929 2.374 259 HA MET 37 HA MET 37 -4.250 -11.206 0.837 260 1HB MET 37 2HB MET 37 -2.599 -8.851 0.714 261 2HB MET 37 1HB MET 37 -1.677 -10.253 0.188 262 1HG MET 37 2HG MET 37 -4.412 -9.697 -0.892 263 2HG MET 37 1HG MET 37 -2.980 -8.918 -1.563 264 1HE MET 37 1HE MET 37 -3.326 -9.516 -3.650 265 2HE MET 37 2HE MET 37 -3.495 -11.115 -4.375 266 3HE MET 37 3HE MET 37 -1.892 -10.485 -3.996 267 H THR 38 H THR 38 -2.151 -10.701 3.527 268 HA THR 38 HA THR 38 -1.613 -13.347 4.033 269 HB THR 38 HB THR 38 -0.371 -13.660 2.059 270 HG1 THR 38 1HG THR 38 1.615 -12.933 3.939 271 1HG2 THR 38 1HG2 THR 38 0.140 -11.739 0.996 272 2HG2 THR 38 2HG2 THR 38 1.702 -12.013 1.769 273 3HG2 THR 38 3HG2 THR 38 0.547 -10.890 2.487 274 H ASP 39 H ASP 39 -0.304 -13.644 5.862 275 HA ASP 39 HA ASP 39 -0.009 -11.323 7.499 276 1HB ASP 39 2HB ASP 39 1.015 -12.974 9.128 277 2HB ASP 39 1HB ASP 39 -0.627 -13.336 8.607 278 H THR 40 H THR 40 1.474 -10.003 6.418 279 HA THR 40 HA THR 40 4.065 -10.864 5.639 280 HB THR 40 HB THR 40 4.521 -8.561 5.184 281 HG1 THR 40 1HG THR 40 3.954 -7.312 6.786 282 1HG2 THR 40 1HG2 THR 40 2.073 -7.794 4.383 283 2HG2 THR 40 2HG2 THR 40 1.825 -9.532 4.537 284 3HG2 THR 40 3HG2 THR 40 3.099 -8.914 3.489 285 H SER 41 H SER 41 2.707 -9.709 8.624 286 HA SER 41 HA SER 41 4.915 -8.762 9.977 287 1HB SER 41 2HB SER 41 3.753 -9.399 12.042 288 2HB SER 41 1HB SER 41 2.627 -8.700 10.879 289 HG SER 41 HG SER 41 2.136 -10.929 10.285 290 H LEU 42 H LEU 42 4.312 -11.978 8.924 291 HA LEU 42 HA LEU 42 5.936 -13.322 10.849 292 1HB LEU 42 2HB LEU 42 4.205 -14.049 8.759 293 2HB LEU 42 1HB LEU 42 5.768 -14.717 8.331 294 HG LEU 42 HG LEU 42 4.368 -16.316 9.570 295 1HD1 LEU 42 1HD1 LEU 42 6.127 -16.540 11.554 296 2HD1 LEU 42 2HD1 LEU 42 6.999 -15.379 10.552 297 3HD1 LEU 42 3HD1 LEU 42 6.525 -16.939 9.882 298 1HD2 LEU 42 1HD2 LEU 42 4.177 -14.042 11.425 299 2HD2 LEU 42 2HD2 LEU 42 4.434 -15.614 12.181 300 3HD2 LEU 42 3HD2 LEU 42 3.048 -15.362 11.121 301 H VAL 43 H VAL 43 6.717 -11.254 8.339 302 HA VAL 43 HA VAL 43 9.413 -12.418 8.083 303 HB VAL 43 HB VAL 43 7.751 -10.904 6.086 304 1HG1 VAL 43 1HG1 VAL 43 10.674 -11.580 5.811 305 2HG1 VAL 43 2HG1 VAL 43 10.025 -9.963 6.078 306 3HG1 VAL 43 3HG1 VAL 43 9.647 -10.828 4.590 307 1HG2 VAL 43 1HG2 VAL 43 8.970 -13.638 6.193 308 2HG2 VAL 43 2HG2 VAL 43 8.459 -12.907 4.672 309 3HG2 VAL 43 3HG2 VAL 43 7.282 -13.188 5.955 310 H GLU 44 H GLU 44 11.128 -11.162 8.569 311 HA GLU 44 HA GLU 44 10.650 -8.651 9.888 312 1HB GLU 44 2HB GLU 44 13.169 -10.218 9.342 313 2HB GLU 44 1HB GLU 44 13.145 -8.697 10.225 314 1HG GLU 44 2HG GLU 44 11.483 -11.041 11.073 315 2HG GLU 44 1HG GLU 44 13.162 -10.853 11.576 316 H ALA 45 H ALA 45 13.294 -9.288 7.627 317 HA ALA 45 HA ALA 45 12.561 -7.660 5.506 318 1HB ALA 45 1HB ALA 45 13.006 -6.090 7.777 319 2HB ALA 45 2HB ALA 45 12.861 -5.537 6.109 320 3HB ALA 45 3HB ALA 45 14.451 -5.894 6.785 321 H ALA 46 H ALA 46 13.754 -8.905 4.173 322 HA ALA 46 HA ALA 46 16.536 -9.454 4.839 323 1HB ALA 46 1HB ALA 46 16.450 -11.108 3.041 324 2HB ALA 46 2HB ALA 46 14.804 -10.599 2.657 325 3HB ALA 46 3HB ALA 46 15.154 -11.357 4.211 326 H GLU 47 H GLU 47 14.599 -7.699 2.534 327 HA GLU 47 HA GLU 47 17.077 -6.619 1.377 328 1HB GLU 47 2HB GLU 47 14.624 -7.150 -0.278 329 2HB GLU 47 1HB GLU 47 16.244 -6.762 -0.830 330 1HG GLU 47 2HG GLU 47 15.686 -9.277 0.693 331 2HG GLU 47 1HG GLU 47 15.409 -9.176 -1.041 332 H GLU 48 H GLU 48 16.590 -4.604 0.050 333 HA GLU 48 HA GLU 48 14.289 -3.117 1.040 334 1HB GLU 48 2HB GLU 48 16.577 -2.776 2.382 335 2HB GLU 48 1HB GLU 48 16.875 -1.647 1.066 336 1HG GLU 48 2HG GLU 48 15.376 -0.162 1.826 337 2HG GLU 48 1HG GLU 48 14.229 -1.411 2.306 338 H ARG 49 H ARG 49 13.355 -1.984 -0.524 339 HA ARG 49 HA ARG 49 14.954 -1.179 -2.855 340 1HB ARG 49 2HB ARG 49 13.119 -1.792 -4.344 341 2HB ARG 49 1HB ARG 49 13.670 -3.195 -3.438 342 1HG ARG 49 2HG ARG 49 11.445 -3.489 -3.187 343 2HG ARG 49 1HG ARG 49 11.714 -2.417 -1.812 344 1HD ARG 49 2HD ARG 49 9.983 -1.304 -2.763 345 2HD ARG 49 1HD ARG 49 11.292 -0.571 -3.685 346 HE ARG 49 HE ARG 49 9.402 -2.594 -4.640 347 1HH1 ARG 49 1HH1 ARG 49 12.074 -0.437 -5.307 348 2HH1 ARG 49 2HH1 ARG 49 11.903 -0.564 -7.024 349 1HH2 ARG 49 1HH2 ARG 49 9.187 -2.757 -6.896 350 2HH2 ARG 49 2HH2 ARG 49 10.269 -1.879 -7.925 351 H ARG 50 H ARG 50 14.235 0.714 -3.922 352 HA ARG 50 HA ARG 50 12.370 2.330 -2.312 353 1HB ARG 50 2HB ARG 50 14.741 3.090 -2.272 354 2HB ARG 50 1HB ARG 50 14.656 3.331 -4.011 355 1HG ARG 50 2HG ARG 50 12.483 4.679 -2.684 356 2HG ARG 50 1HG ARG 50 14.042 5.174 -2.019 357 1HD ARG 50 2HD ARG 50 13.586 5.051 -4.980 358 2HD ARG 50 1HD ARG 50 13.095 6.461 -4.042 359 HE ARG 50 HE ARG 50 15.676 6.092 -3.314 360 1HH1 ARG 50 1HH1 ARG 50 14.077 6.395 -6.401 361 2HH1 ARG 50 2HH1 ARG 50 15.447 7.111 -7.180 362 1HH2 ARG 50 1HH2 ARG 50 17.480 7.034 -4.337 363 2HH2 ARG 50 2HH2 ARG 50 17.379 7.474 -6.009 364 H VAL 51 H VAL 51 10.825 3.534 -3.315 365 HA VAL 51 HA VAL 51 10.545 3.221 -6.228 366 HB VAL 51 HB VAL 51 8.260 3.219 -4.249 367 1HG1 VAL 51 1HG1 VAL 51 7.722 4.114 -6.472 368 2HG1 VAL 51 2HG1 VAL 51 6.896 2.589 -6.157 369 3HG1 VAL 51 3HG1 VAL 51 8.312 2.624 -7.206 370 1HG2 VAL 51 1HG2 VAL 51 8.792 0.793 -5.819 371 2HG2 VAL 51 2HG2 VAL 51 8.294 0.972 -4.138 372 3HG2 VAL 51 3HG2 VAL 51 9.991 1.156 -4.579 373 H GLU 52 H GLU 52 9.574 4.964 -7.333 374 HA GLU 52 HA GLU 52 9.296 7.437 -5.758 375 1HB GLU 52 2HB GLU 52 11.144 6.847 -7.890 376 2HB GLU 52 1HB GLU 52 10.063 8.142 -8.386 377 1HG GLU 52 2HG GLU 52 10.640 9.373 -6.333 378 2HG GLU 52 1HG GLU 52 11.779 8.094 -5.914 379 H ILE 53 H ILE 53 7.647 8.816 -6.358 380 HA ILE 53 HA ILE 53 5.969 8.011 -8.618 381 HB ILE 53 HB ILE 53 4.340 8.862 -6.365 382 1HG1 ILE 53 2HG1 ILE 53 5.786 6.216 -6.092 383 2HG1 ILE 53 1HG1 ILE 53 6.086 7.631 -5.090 384 1HG2 ILE 53 1HG2 ILE 53 3.398 7.957 -8.356 385 2HG2 ILE 53 2HG2 ILE 53 3.082 6.830 -7.034 386 3HG2 ILE 53 3HG2 ILE 53 4.360 6.484 -8.203 387 1HD1 ILE 53 1HD1 ILE 53 3.562 6.013 -5.240 388 2HD1 ILE 53 2HD1 ILE 53 3.718 7.529 -4.355 389 3HD1 ILE 53 3HD1 ILE 53 4.686 6.131 -3.887 390 H THR 54 H THR 54 4.598 9.642 -9.436 391 HA THR 54 HA THR 54 5.288 12.354 -8.513 392 HB THR 54 HB THR 54 4.495 11.718 -11.345 393 HG1 THR 54 1HG THR 54 7.060 11.554 -10.170 394 1HG2 THR 54 1HG2 THR 54 5.075 13.812 -11.857 395 2HG2 THR 54 2HG2 THR 54 6.472 13.798 -10.781 396 3HG2 THR 54 3HG2 THR 54 4.862 14.110 -10.133 397 H SER 55 H SER 55 3.619 13.261 -7.565 398 HA SER 55 HA SER 55 0.919 12.757 -8.629 399 1HB SER 55 2HB SER 55 0.727 11.790 -6.541 400 2HB SER 55 1HB SER 55 1.930 12.858 -5.818 401 HG SER 55 HG SER 55 -0.800 13.282 -6.268 402 H GLU 56 H GLU 56 -0.620 14.564 -8.191 403 HA GLU 56 HA GLU 56 0.566 17.166 -7.742 404 1HB GLU 56 2HB GLU 56 -0.865 16.678 -10.350 405 2HB GLU 56 1HB GLU 56 0.009 18.120 -9.852 406 1HG GLU 56 2HG GLU 56 2.091 16.697 -9.805 407 2HG GLU 56 1HG GLU 56 1.140 15.442 -10.597 408 H ASP 57 H ASP 57 -1.566 15.347 -6.649 409 HA ASP 57 HA ASP 57 -3.486 17.397 -6.122 410 1HB ASP 57 2HB ASP 57 -4.037 16.119 -8.414 411 2HB ASP 57 1HB ASP 57 -4.815 15.013 -7.286 412 H ARG 58 H ARG 58 -1.694 15.161 -4.896 413 HA ARG 58 HA ARG 58 -1.693 13.940 -2.979 414 1HB ARG 58 2HB ARG 58 -2.650 15.642 -1.731 415 2HB ARG 58 1HB ARG 58 -4.152 15.613 -2.640 416 1HG ARG 58 2HG ARG 58 -4.913 13.684 -1.502 417 2HG ARG 58 1HG ARG 58 -3.322 13.390 -0.796 418 1HD ARG 58 2HD ARG 58 -4.242 14.409 0.997 419 2HD ARG 58 1HD ARG 58 -3.782 15.871 0.128 420 HE ARG 58 HE ARG 58 -6.459 14.847 0.542 421 1HH1 ARG 58 1HH1 ARG 58 -4.431 17.044 -1.266 422 2HH1 ARG 58 2HH1 ARG 58 -5.745 18.074 -1.722 423 1HH2 ARG 58 1HH2 ARG 58 -8.183 16.206 -0.058 424 2HH2 ARG 58 2HH2 ARG 58 -7.873 17.601 -1.037 425 H VAL 59 H VAL 59 -5.130 13.910 -3.950 426 HA VAL 59 HA VAL 59 -5.687 11.298 -3.238 427 HB VAL 59 HB VAL 59 -7.440 12.874 -3.808 428 1HG1 VAL 59 1HG1 VAL 59 -6.726 12.562 -6.709 429 2HG1 VAL 59 2HG1 VAL 59 -6.120 13.892 -5.722 430 3HG1 VAL 59 3HG1 VAL 59 -7.855 13.698 -5.973 431 1HG2 VAL 59 1HG2 VAL 59 -8.130 11.029 -5.912 432 2HG2 VAL 59 2HG2 VAL 59 -8.800 11.181 -4.288 433 3HG2 VAL 59 3HG2 VAL 59 -7.371 10.185 -4.562 434 H SER 60 H SER 60 -4.612 12.504 -6.414 435 HA SER 60 HA SER 60 -4.721 10.085 -7.793 436 1HB SER 60 2HB SER 60 -3.282 12.660 -8.152 437 2HB SER 60 1HB SER 60 -2.666 11.275 -9.054 438 HG SER 60 HG SER 60 -5.403 11.988 -9.054 439 H LEU 61 H LEU 61 -2.226 11.355 -5.648 440 HA LEU 61 HA LEU 61 -0.139 9.647 -6.289 441 1HB LEU 61 2HB LEU 61 -0.136 11.582 -4.644 442 2HB LEU 61 1HB LEU 61 -0.825 10.473 -3.476 443 HG LEU 61 HG LEU 61 1.712 10.888 -3.416 444 1HD1 LEU 61 1HD1 LEU 61 1.265 9.213 -1.996 445 2HD1 LEU 61 2HD1 LEU 61 1.947 8.194 -3.260 446 3HD1 LEU 61 3HD1 LEU 61 0.201 8.389 -3.131 447 1HD2 LEU 61 1HD2 LEU 61 2.110 10.627 -5.818 448 2HD2 LEU 61 2HD2 LEU 61 1.598 8.943 -5.719 449 3HD2 LEU 61 3HD2 LEU 61 3.050 9.474 -4.872 450 H LEU 62 H LEU 62 -2.726 9.134 -3.889 451 HA LEU 62 HA LEU 62 -1.957 6.584 -3.054 452 1HB LEU 62 2HB LEU 62 -3.836 8.198 -2.201 453 2HB LEU 62 1HB LEU 62 -4.846 7.327 -3.333 454 HG LEU 62 HG LEU 62 -5.290 6.110 -1.457 455 1HD1 LEU 62 1HD1 LEU 62 -4.356 4.506 -2.996 456 2HD1 LEU 62 2HD1 LEU 62 -3.872 4.078 -1.355 457 3HD1 LEU 62 3HD1 LEU 62 -2.719 4.858 -2.438 458 1HD2 LEU 62 1HD2 LEU 62 -2.635 5.931 -0.240 459 2HD2 LEU 62 2HD2 LEU 62 -4.194 6.330 0.479 460 3HD2 LEU 62 3HD2 LEU 62 -3.263 7.574 -0.354 461 H TYR 63 H TYR 63 -3.878 7.634 -5.804 462 HA TYR 63 HA TYR 63 -4.837 5.144 -6.637 463 1HB TYR 63 2HB TYR 63 -4.650 7.832 -7.733 464 2HB TYR 63 1HB TYR 63 -4.454 6.599 -8.975 465 HD1 TYR 63 1HD TYR 63 -6.765 8.223 -6.702 466 HD2 TYR 63 2HD TYR 63 -6.266 4.948 -9.371 467 HE1 TYR 63 1HE TYR 63 -9.203 7.915 -6.770 468 HE2 TYR 63 2HE TYR 63 -8.703 4.631 -9.447 469 HH TYR 63 HH TYR 63 -10.738 5.891 -9.053 470 H ASP 64 H ASP 64 -1.758 6.741 -7.193 471 HA ASP 64 HA ASP 64 -0.901 4.547 -8.932 472 1HB ASP 64 2HB ASP 64 -0.533 7.062 -9.442 473 2HB ASP 64 1HB ASP 64 0.773 6.951 -8.267 474 H TRP 65 H TRP 65 -0.508 5.737 -5.711 475 HA TRP 65 HA TRP 65 2.015 4.665 -5.113 476 1HB TRP 65 2HB TRP 65 1.046 6.248 -3.600 477 2HB TRP 65 1HB TRP 65 -0.373 5.235 -3.358 478 HD1 TRP 65 HD TRP 65 -0.202 4.700 -0.835 479 HE1 TRP 65 1HE TRP 65 1.544 3.551 0.663 480 HE3 TRP 65 3HE TRP 65 3.641 4.323 -4.192 481 HZ2 TRP 65 2HZ TRP 65 4.195 2.614 0.457 482 HZ3 TRP 65 3HZ TRP 65 5.747 3.287 -3.458 483 HH2 TRP 65 HH TRP 65 6.018 2.451 -1.181 484 H LEU 66 H LEU 66 -1.225 3.319 -4.524 485 HA LEU 66 HA LEU 66 -0.192 0.796 -3.666 486 1HB LEU 66 2HB LEU 66 -2.586 2.068 -3.393 487 2HB LEU 66 1HB LEU 66 -2.975 0.912 -4.650 488 HG LEU 66 HG LEU 66 -1.984 0.314 -1.864 489 1HD1 LEU 66 1HD1 LEU 66 -4.091 -0.298 -1.360 490 2HD1 LEU 66 2HD1 LEU 66 -4.413 -0.925 -2.976 491 3HD1 LEU 66 3HD1 LEU 66 -4.503 0.809 -2.669 492 1HD2 LEU 66 1HD2 LEU 66 -0.908 -1.368 -2.972 493 2HD2 LEU 66 2HD2 LEU 66 -2.046 -1.361 -4.319 494 3HD2 LEU 66 3HD2 LEU 66 -2.499 -2.107 -2.787 495 H ASP 67 H ASP 67 -1.590 2.013 -6.693 496 HA ASP 67 HA ASP 67 -1.785 -0.352 -8.108 497 1HB ASP 67 2HB ASP 67 -1.636 2.465 -8.747 498 2HB ASP 67 1HB ASP 67 -0.741 1.523 -9.936 499 H GLU 68 H GLU 68 1.031 1.544 -7.284 500 HA GLU 68 HA GLU 68 2.889 0.185 -8.948 501 1HB GLU 68 2HB GLU 68 2.943 2.395 -7.273 502 2HB GLU 68 1HB GLU 68 3.975 1.237 -6.445 503 1HG GLU 68 2HG GLU 68 5.359 2.559 -7.843 504 2HG GLU 68 1HG GLU 68 5.244 0.958 -8.574 505 H LEU 69 H LEU 69 1.910 -0.151 -5.564 506 HA LEU 69 HA LEU 69 3.640 -2.338 -5.019 507 1HB LEU 69 2HB LEU 69 1.480 -0.909 -3.597 508 2HB LEU 69 1HB LEU 69 1.787 -2.558 -3.086 509 HG LEU 69 HG LEU 69 3.050 -1.116 -1.665 510 1HD1 LEU 69 1HD1 LEU 69 5.063 -2.124 -3.649 511 2HD1 LEU 69 2HD1 LEU 69 4.135 -3.210 -2.614 512 3HD1 LEU 69 3HD1 LEU 69 5.207 -2.006 -1.896 513 1HD2 LEU 69 1HD2 LEU 69 4.920 0.261 -2.951 514 2HD2 LEU 69 2HD2 LEU 69 3.324 0.930 -2.617 515 3HD2 LEU 69 3HD2 LEU 69 3.685 0.265 -4.209 516 H LEU 70 H LEU 70 0.377 -2.011 -6.181 517 HA LEU 70 HA LEU 70 -0.526 -4.630 -5.737 518 1HB LEU 70 2HB LEU 70 -1.695 -2.383 -6.590 519 2HB LEU 70 1HB LEU 70 -1.471 -3.172 -8.139 520 HG LEU 70 HG LEU 70 -3.704 -3.567 -7.126 521 1HD1 LEU 70 1HD1 LEU 70 -2.504 -6.253 -7.125 522 2HD1 LEU 70 2HD1 LEU 70 -2.167 -5.266 -8.547 523 3HD1 LEU 70 3HD1 LEU 70 -3.835 -5.600 -8.080 524 1HD2 LEU 70 1HD2 LEU 70 -2.923 -5.600 -5.261 525 2HD2 LEU 70 2HD2 LEU 70 -3.941 -4.182 -5.007 526 3HD2 LEU 70 3HD2 LEU 70 -2.193 -4.059 -4.808 527 H PHE 71 H PHE 71 0.832 -3.159 -8.685 528 HA PHE 71 HA PHE 71 0.742 -5.419 -10.300 529 1HB PHE 71 2HB PHE 71 1.507 -2.855 -10.678 530 2HB PHE 71 1HB PHE 71 3.081 -3.645 -10.665 531 HD1 PHE 71 1HD PHE 71 3.424 -5.620 -12.244 532 HD2 PHE 71 2HD PHE 71 0.187 -2.879 -12.590 533 HE1 PHE 71 1HE PHE 71 3.106 -6.297 -14.588 534 HE2 PHE 71 2HE PHE 71 -0.137 -3.551 -14.933 535 HZ PHE 71 HZ PHE 71 1.322 -5.263 -15.936 536 H ILE 72 H ILE 72 3.497 -4.235 -8.361 537 HA ILE 72 HA ILE 72 5.200 -6.392 -8.986 538 HB ILE 72 HB ILE 72 6.485 -5.699 -6.947 539 1HG1 ILE 72 2HG1 ILE 72 5.471 -3.238 -6.300 540 2HG1 ILE 72 1HG1 ILE 72 4.000 -4.183 -6.507 541 1HG2 ILE 72 1HG2 ILE 72 6.388 -4.577 -9.380 542 2HG2 ILE 72 2HG2 ILE 72 7.483 -4.039 -8.107 543 3HG2 ILE 72 3HG2 ILE 72 5.971 -3.178 -8.392 544 1HD1 ILE 72 1HD1 ILE 72 6.227 -4.583 -4.554 545 2HD1 ILE 72 2HD1 ILE 72 5.106 -5.885 -4.950 546 3HD1 ILE 72 3HD1 ILE 72 4.502 -4.383 -4.249 547 H HIS 73 H HIS 73 3.028 -5.864 -6.226 548 HA HIS 73 HA HIS 73 3.720 -8.050 -4.685 549 1HB HIS 73 2HB HIS 73 1.121 -6.606 -5.107 550 2HB HIS 73 1HB HIS 73 1.191 -8.020 -4.062 551 HD1 HIS 73 1HD HIS 73 0.426 -5.448 -2.750 552 HD2 HIS 73 2HD HIS 73 4.383 -6.643 -3.164 553 HE1 HIS 73 1HE HIS 73 1.693 -4.203 -0.970 554 HE2 HIS 73 2HE HIS 73 4.071 -5.008 -1.184 555 H ASP 74 H ASP 74 1.349 -7.896 -7.320 556 HA ASP 74 HA ASP 74 0.724 -10.669 -7.178 557 1HB ASP 74 2HB ASP 74 -0.407 -8.433 -8.393 558 2HB ASP 74 1HB ASP 74 0.094 -9.454 -9.738 559 H THR 75 H THR 75 3.097 -8.823 -8.966 560 HA THR 75 HA THR 75 3.598 -10.730 -10.975 561 HB THR 75 HB THR 75 5.790 -9.600 -11.249 562 HG1 THR 75 1HG THR 75 6.210 -7.808 -9.920 563 1HG2 THR 75 1HG2 THR 75 4.642 -8.208 -12.516 564 2HG2 THR 75 2HG2 THR 75 4.458 -7.157 -11.110 565 3HG2 THR 75 3HG2 THR 75 3.220 -8.358 -11.484 566 H GLU 76 H GLU 76 3.947 -11.140 -7.735 567 HA GLU 76 HA GLU 76 4.786 -12.915 -6.566 568 1HB GLU 76 2HB GLU 76 4.813 -14.014 -8.974 569 2HB GLU 76 1HB GLU 76 6.550 -13.792 -8.814 570 1HG GLU 76 2HG GLU 76 6.105 -15.975 -8.074 571 2HG GLU 76 1HG GLU 76 6.386 -15.020 -6.620 572 H PHE 77 H PHE 77 5.791 -10.397 -6.402 573 HA PHE 77 HA PHE 77 8.687 -10.506 -6.549 574 1HB PHE 77 2HB PHE 77 6.664 -8.453 -6.194 575 2HB PHE 77 1HB PHE 77 8.027 -8.232 -5.106 576 HD1 PHE 77 1HD PHE 77 10.378 -8.774 -6.407 577 HD2 PHE 77 2HD PHE 77 6.805 -7.248 -8.137 578 HE1 PHE 77 1HE PHE 77 11.693 -7.778 -8.234 579 HE2 PHE 77 2HE PHE 77 8.110 -6.250 -9.968 580 HZ PHE 77 HZ PHE 77 10.558 -6.516 -10.019 581 H ILE 78 H ILE 78 6.728 -9.348 -3.826 582 HA ILE 78 HA ILE 78 8.276 -11.110 -2.050 583 HB ILE 78 HB ILE 78 8.802 -9.406 -0.549 584 1HG1 ILE 78 2HG1 ILE 78 6.591 -8.343 -0.411 585 2HG1 ILE 78 1HG1 ILE 78 7.852 -7.134 -0.620 586 1HG2 ILE 78 1HG2 ILE 78 8.958 -7.953 -3.180 587 2HG2 ILE 78 2HG2 ILE 78 10.008 -9.306 -2.758 588 3HG2 ILE 78 3HG2 ILE 78 10.049 -7.825 -1.801 589 1HD1 ILE 78 1HD1 ILE 78 5.785 -8.053 -2.566 590 2HD1 ILE 78 2HD1 ILE 78 7.275 -7.295 -3.126 591 3HD1 ILE 78 3HD1 ILE 78 6.189 -6.417 -2.049 592 H LEU 79 H LEU 79 7.286 -11.664 -0.060 593 HA LEU 79 HA LEU 79 4.381 -11.715 -0.205 594 1HB LEU 79 2HB LEU 79 5.545 -13.791 0.313 595 2HB LEU 79 1HB LEU 79 6.319 -13.039 1.696 596 HG LEU 79 HG LEU 79 3.804 -12.647 2.446 597 1HD1 LEU 79 1HD1 LEU 79 3.610 -15.162 0.799 598 2HD1 LEU 79 2HD1 LEU 79 2.902 -13.612 0.349 599 3HD1 LEU 79 3HD1 LEU 79 2.349 -14.446 1.800 600 1HD2 LEU 79 1HD2 LEU 79 3.988 -15.068 3.440 601 2HD2 LEU 79 2HD2 LEU 79 5.102 -13.797 3.944 602 3HD2 LEU 79 3HD2 LEU 79 5.611 -14.995 2.752 603 H PHE 80 H PHE 80 6.956 -10.496 1.857 604 HA PHE 80 HA PHE 80 4.969 -8.870 3.304 605 1HB PHE 80 2HB PHE 80 5.774 -10.047 5.093 606 2HB PHE 80 1HB PHE 80 7.276 -10.456 4.273 607 HD1 PHE 80 1HD PHE 80 9.117 -8.776 4.183 608 HD2 PHE 80 2HD PHE 80 5.662 -8.208 6.594 609 HE1 PHE 80 1HE PHE 80 10.306 -7.057 5.485 610 HE2 PHE 80 2HE PHE 80 6.839 -6.495 7.896 611 HZ PHE 80 HZ PHE 80 9.165 -5.915 7.342 612 H SER 81 H SER 81 5.458 -6.688 3.617 613 HA SER 81 HA SER 81 8.022 -5.710 2.765 614 1HB SER 81 2HB SER 81 5.918 -5.824 0.883 615 2HB SER 81 1HB SER 81 6.127 -4.126 1.310 616 HG SER 81 HG SER 81 7.692 -4.263 -0.100 617 H LYS 82 H LYS 82 8.615 -3.972 3.872 618 HA LYS 82 HA LYS 82 6.689 -2.715 5.654 619 1HB LYS 82 2HB LYS 82 9.254 -3.368 6.083 620 2HB LYS 82 1HB LYS 82 9.503 -1.745 5.454 621 1HG LYS 82 2HG LYS 82 7.549 -2.245 7.663 622 2HG LYS 82 1HG LYS 82 9.275 -2.072 7.993 623 1HD LYS 82 2HD LYS 82 8.155 -0.009 6.232 624 2HD LYS 82 1HD LYS 82 7.498 -0.011 7.870 625 1HE LYS 82 2HE LYS 82 10.453 -0.160 7.414 626 2HE LYS 82 1HE LYS 82 9.616 1.391 7.352 627 1HZ LYS 82 1HZ LYS 82 10.077 -0.383 9.635 628 2HZ LYS 82 2HZ LYS 82 8.657 0.535 9.620 629 3HZ LYS 82 3HZ LYS 82 10.161 1.305 9.545 630 H PHE 83 H PHE 83 5.732 -0.785 5.197 631 HA PHE 83 HA PHE 83 6.653 0.536 2.745 632 1HB PHE 83 2HB PHE 83 3.983 0.837 4.122 633 2HB PHE 83 1HB PHE 83 4.425 1.435 2.525 634 HD1 PHE 83 1HD PHE 83 5.351 -0.473 0.907 635 HD2 PHE 83 2HD PHE 83 2.761 -1.095 4.226 636 HE1 PHE 83 1HE PHE 83 4.576 -2.582 -0.098 637 HE2 PHE 83 2HE PHE 83 1.982 -3.205 3.228 638 HZ PHE 83 HZ PHE 83 2.891 -3.951 1.063 639 H LYS 84 H LYS 84 7.619 2.335 2.782 640 HA LYS 84 HA LYS 84 7.061 4.314 4.860 641 1HB LYS 84 2HB LYS 84 9.156 4.224 5.661 642 2HB LYS 84 1HB LYS 84 9.511 2.897 4.568 643 1HG LYS 84 2HG LYS 84 10.378 4.356 2.925 644 2HG LYS 84 1HG LYS 84 9.732 5.778 3.744 645 1HD LYS 84 2HD LYS 84 12.174 5.496 4.059 646 2HD LYS 84 1HD LYS 84 11.271 5.490 5.575 647 1HE LYS 84 2HE LYS 84 11.500 2.818 4.525 648 2HE LYS 84 1HE LYS 84 13.090 3.565 4.660 649 1HZ LYS 84 1HZ LYS 84 12.051 4.250 6.997 650 2HZ LYS 84 2HZ LYS 84 12.906 2.811 6.761 651 3HZ LYS 84 3HZ LYS 84 11.214 2.800 6.747 652 H VAL 85 H VAL 85 6.192 5.996 3.789 653 HA VAL 85 HA VAL 85 7.116 6.459 1.040 654 HB VAL 85 HB VAL 85 5.032 6.873 0.312 655 1HG1 VAL 85 1HG1 VAL 85 5.018 4.812 2.068 656 2HG1 VAL 85 2HG1 VAL 85 3.671 5.242 1.015 657 3HG1 VAL 85 3HG1 VAL 85 3.697 5.803 2.686 658 1HG2 VAL 85 1HG2 VAL 85 4.142 7.963 2.965 659 2HG2 VAL 85 2HG2 VAL 85 3.336 8.122 1.406 660 3HG2 VAL 85 3HG2 VAL 85 4.861 8.949 1.690 661 H LYS 86 H LYS 86 7.397 8.511 0.266 662 HA LYS 86 HA LYS 86 7.822 10.596 2.305 663 1HB LYS 86 2HB LYS 86 9.824 9.260 1.147 664 2HB LYS 86 1HB LYS 86 9.533 10.414 -0.143 665 1HG LYS 86 2HG LYS 86 9.958 11.304 2.693 666 2HG LYS 86 1HG LYS 86 11.306 10.999 1.596 667 1HD LYS 86 2HD LYS 86 9.598 12.577 0.103 668 2HD LYS 86 1HD LYS 86 9.479 13.260 1.726 669 1HE LYS 86 2HE LYS 86 12.084 12.705 0.316 670 2HE LYS 86 1HE LYS 86 11.266 14.267 0.291 671 1HZ LYS 86 1HZ LYS 86 13.098 13.616 2.090 672 2HZ LYS 86 2HZ LYS 86 11.717 13.093 2.913 673 3HZ LYS 86 3HZ LYS 86 11.843 14.703 2.411 674 H ILE 87 H ILE 87 6.551 12.348 1.864 675 HA ILE 87 HA ILE 87 5.787 12.798 -0.946 676 HB ILE 87 HB ILE 87 4.407 14.165 1.333 677 1HG1 ILE 87 2HG1 ILE 87 3.615 11.454 0.246 678 2HG1 ILE 87 1HG1 ILE 87 4.425 11.695 1.792 679 1HG2 ILE 87 1HG2 ILE 87 3.875 13.567 -1.531 680 2HG2 ILE 87 2HG2 ILE 87 3.661 15.070 -0.632 681 3HG2 ILE 87 3HG2 ILE 87 2.506 13.751 -0.433 682 1HD1 ILE 87 1HD1 ILE 87 1.687 12.655 0.997 683 2HD1 ILE 87 2HD1 ILE 87 2.505 13.125 2.487 684 3HD1 ILE 87 3HD1 ILE 87 2.094 11.436 2.205 685 H ASP 88 H ASP 88 5.998 14.811 -1.900 686 HA ASP 88 HA ASP 88 7.396 16.873 -0.337 687 1HB ASP 88 2HB ASP 88 8.157 15.665 -2.986 688 2HB ASP 88 1HB ASP 88 8.604 17.329 -2.610 689 H GLU 89 H GLU 89 6.263 18.727 -0.402 690 HA GLU 89 HA GLU 89 4.409 19.124 -2.661 691 1HB GLU 89 2HB GLU 89 4.244 19.634 0.207 692 2HB GLU 89 1HB GLU 89 3.833 21.058 -0.739 693 1HG GLU 89 2HG GLU 89 2.498 18.950 -1.981 694 2HG GLU 89 1HG GLU 89 2.304 18.670 -0.251 695 H LYS 90 H LYS 90 5.118 20.300 -4.163 696 HA LYS 90 HA LYS 90 6.516 22.802 -3.563 697 1HB LYS 90 2HB LYS 90 7.442 21.920 -6.087 698 2HB LYS 90 1HB LYS 90 8.375 22.136 -4.614 699 1HG LYS 90 2HG LYS 90 8.834 19.955 -5.220 700 2HG LYS 90 1HG LYS 90 7.559 19.766 -4.014 701 1HD LYS 90 2HD LYS 90 6.418 18.593 -5.521 702 2HD LYS 90 1HD LYS 90 6.222 20.097 -6.441 703 1HE LYS 90 2HE LYS 90 8.772 18.597 -6.748 704 2HE LYS 90 1HE LYS 90 7.331 17.916 -7.498 705 1HZ LYS 90 1HZ LYS 90 7.119 19.700 -8.913 706 2HZ LYS 90 2HZ LYS 90 8.802 19.568 -8.811 707 3HZ LYS 90 3HZ LYS 90 7.991 20.753 -7.917 708 H ASP 91 H ASP 91 6.711 23.736 -6.127 709 HA ASP 91 HA ASP 91 4.959 25.268 -6.937 710 1HB ASP 91 2HB ASP 91 5.851 22.993 -8.655 711 2HB ASP 91 1HB ASP 91 4.818 24.264 -9.303 712 H ASP 92 H ASP 92 3.989 21.847 -7.098 713 HA ASP 92 HA ASP 92 1.423 22.102 -6.221 714 1HB ASP 92 2HB ASP 92 1.669 23.263 -8.854 715 2HB ASP 92 1HB ASP 92 0.603 21.862 -8.916 716 H GLY 93 H GLY 93 3.484 20.708 -8.677 717 1HA GLY 93 2HA GLY 93 2.097 18.145 -8.572 718 2HA GLY 93 1HA GLY 93 3.496 18.535 -9.568 719 H LEU 94 H LEU 94 2.397 17.206 -6.609 720 HA LEU 94 HA LEU 94 5.071 17.155 -5.478 721 1HB LEU 94 2HB LEU 94 3.869 16.024 -3.543 722 2HB LEU 94 1HB LEU 94 3.507 17.710 -3.855 723 HG LEU 94 HG LEU 94 1.733 15.630 -5.052 724 1HD1 LEU 94 1HD1 LEU 94 0.982 16.573 -2.373 725 2HD1 LEU 94 2HD1 LEU 94 2.311 15.414 -2.423 726 3HD1 LEU 94 3HD1 LEU 94 0.749 14.998 -3.132 727 1HD2 LEU 94 1HD2 LEU 94 0.278 17.721 -3.933 728 2HD2 LEU 94 2HD2 LEU 94 0.692 17.515 -5.634 729 3HD2 LEU 94 3HD2 LEU 94 1.724 18.489 -4.588 730 H HIS 95 H HIS 95 6.399 15.514 -5.543 731 HA HIS 95 HA HIS 95 5.460 12.946 -6.622 732 1HB HIS 95 2HB HIS 95 7.926 12.506 -6.932 733 2HB HIS 95 1HB HIS 95 7.288 13.840 -7.884 734 HD1 HIS 95 1HD HIS 95 8.344 16.098 -7.553 735 HD2 HIS 95 2HD HIS 95 9.515 13.342 -4.672 736 HE1 HIS 95 1HE HIS 95 10.191 17.217 -6.265 737 HE2 HIS 95 2HE HIS 95 10.933 15.504 -4.573 738 H LEU 96 H LEU 96 5.811 11.021 -5.551 739 HA LEU 96 HA LEU 96 6.525 11.318 -2.720 740 1HB LEU 96 2HB LEU 96 4.214 10.619 -3.184 741 2HB LEU 96 1HB LEU 96 4.823 9.209 -4.031 742 HG LEU 96 HG LEU 96 5.643 9.623 -1.195 743 1HD1 LEU 96 1HD1 LEU 96 3.666 9.045 -0.268 744 2HD1 LEU 96 2HD1 LEU 96 3.153 8.107 -1.669 745 3HD1 LEU 96 3HD1 LEU 96 3.040 9.868 -1.695 746 1HD2 LEU 96 1HD2 LEU 96 6.046 7.657 -3.109 747 2HD2 LEU 96 2HD2 LEU 96 4.815 6.982 -2.042 748 3HD2 LEU 96 3HD2 LEU 96 6.356 7.523 -1.379 749 H THR 97 H THR 97 7.948 9.972 -1.737 750 HA THR 97 HA THR 97 9.363 8.029 -3.446 751 HB THR 97 HB THR 97 10.937 8.921 -1.194 752 HG1 THR 97 1HG THR 97 11.261 11.062 -1.965 753 1HG2 THR 97 1HG2 THR 97 11.327 9.027 -4.167 754 2HG2 THR 97 2HG2 THR 97 12.037 7.897 -3.015 755 3HG2 THR 97 3HG2 THR 97 12.530 9.591 -3.007 756 H GLY 98 H GLY 98 9.053 6.026 -2.776 757 1HA GLY 98 2HA GLY 98 8.518 5.556 0.078 758 2HA GLY 98 1HA GLY 98 7.666 4.697 -1.188 759 H THR 99 H THR 99 9.245 3.698 1.061 760 HA THR 99 HA THR 99 11.333 2.210 -0.402 761 HB THR 99 HB THR 99 11.269 2.628 2.577 762 HG1 THR 99 1HG THR 99 12.370 4.466 2.352 763 1HG2 THR 99 1HG2 THR 99 13.801 2.427 1.087 764 2HG2 THR 99 2HG2 THR 99 12.827 0.959 1.181 765 3HG2 THR 99 3HG2 THR 99 13.344 1.770 2.659 766 H ALA 100 H ALA 100 11.419 -0.016 -0.164 767 HA ALA 100 HA ALA 100 9.436 -1.276 1.596 768 1HB ALA 100 1HB ALA 100 8.340 -2.368 -0.037 769 2HB ALA 100 2HB ALA 100 9.803 -2.624 -0.990 770 3HB ALA 100 3HB ALA 100 8.961 -1.075 -1.063 771 H MET 101 H MET 101 10.197 -2.996 2.705 772 HA MET 101 HA MET 101 12.705 -4.243 1.797 773 1HB MET 101 2HB MET 101 13.396 -4.391 4.202 774 2HB MET 101 1HB MET 101 13.361 -2.756 3.556 775 1HG MET 101 2HG MET 101 10.904 -2.832 4.558 776 2HG MET 101 1HG MET 101 11.656 -4.026 5.613 777 1HE MET 101 1HE MET 101 14.125 -2.108 7.735 778 2HE MET 101 2HE MET 101 14.479 -3.176 6.376 779 3HE MET 101 3HE MET 101 13.170 -3.571 7.491 780 H GLY 102 H GLY 102 13.063 -6.445 2.562 781 1HA GLY 102 2HA GLY 102 12.287 -8.442 3.596 782 2HA GLY 102 1HA GLY 102 10.683 -7.738 3.697 783 H GLU 103 H GLU 103 13.015 -8.318 1.077 784 HA GLU 103 HA GLU 103 10.821 -9.201 -0.606 785 1HB GLU 103 2HB GLU 103 12.319 -7.596 -1.583 786 2HB GLU 103 1HB GLU 103 13.710 -8.591 -1.193 787 1HG GLU 103 2HG GLU 103 13.537 -9.717 -3.091 788 2HG GLU 103 1HG GLU 103 11.836 -10.070 -2.795 789 H GLU 104 H GLU 104 10.274 -11.241 -0.674 790 HA GLU 104 HA GLU 104 11.886 -13.358 -1.388 791 1HB GLU 104 2HB GLU 104 12.527 -12.680 1.203 792 2HB GLU 104 1HB GLU 104 11.348 -13.959 1.437 793 1HG GLU 104 2HG GLU 104 12.853 -15.500 0.956 794 2HG GLU 104 1HG GLU 104 13.192 -14.740 -0.599 795 H ILE 105 H ILE 105 9.635 -13.038 -2.433 796 HA ILE 105 HA ILE 105 7.363 -13.994 -0.991 797 HB ILE 105 HB ILE 105 7.441 -12.497 -3.144 798 1HG1 ILE 105 2HG1 ILE 105 5.415 -13.227 -1.892 799 2HG1 ILE 105 1HG1 ILE 105 5.147 -13.085 -3.627 800 1HG2 ILE 105 1HG2 ILE 105 7.325 -15.256 -4.359 801 2HG2 ILE 105 2HG2 ILE 105 8.614 -14.071 -4.572 802 3HG2 ILE 105 3HG2 ILE 105 7.002 -13.746 -5.206 803 1HD1 ILE 105 1HD1 ILE 105 5.875 -15.711 -3.338 804 2HD1 ILE 105 2HD1 ILE 105 4.227 -15.102 -3.473 805 3HD1 ILE 105 3HD1 ILE 105 4.930 -15.398 -1.883 806 H LYS 106 H LYS 106 6.515 -16.002 -0.843 807 HA LYS 106 HA LYS 106 7.898 -18.168 -2.287 808 1HB LYS 106 2HB LYS 106 7.788 -17.764 0.491 809 2HB LYS 106 1HB LYS 106 6.659 -19.071 0.166 810 1HG LYS 106 2HG LYS 106 8.288 -20.511 -0.468 811 2HG LYS 106 1HG LYS 106 9.311 -19.237 -1.135 812 1HD LYS 106 2HD LYS 106 9.105 -18.799 1.659 813 2HD LYS 106 1HD LYS 106 9.468 -20.507 1.413 814 1HE LYS 106 2HE LYS 106 11.426 -19.993 0.163 815 2HE LYS 106 1HE LYS 106 10.997 -18.285 0.076 816 1HZ LYS 106 1HZ LYS 106 12.747 -18.941 1.758 817 2HZ LYS 106 2HZ LYS 106 11.499 -19.646 2.655 818 3HZ LYS 106 3HZ LYS 106 11.476 -17.986 2.335 819 H GLU 107 H GLU 107 6.645 -19.794 -3.149 820 HA GLU 107 HA GLU 107 4.078 -19.216 -4.004 821 1HB GLU 107 2HB GLU 107 5.817 -21.584 -3.981 822 2HB GLU 107 1HB GLU 107 4.100 -21.960 -4.027 823 1HG GLU 107 2HG GLU 107 4.079 -21.564 -6.197 824 2HG GLU 107 1HG GLU 107 4.550 -19.893 -5.894 825 H GLY 108 H GLY 108 2.436 -18.757 -2.669 826 1HA GLY 108 2HA GLY 108 0.773 -19.083 -1.115 827 2HA GLY 108 1HA GLY 108 1.211 -20.785 -1.122 828 H HIS 109 H HIS 109 3.282 -18.063 -0.260 829 HA HIS 109 HA HIS 109 4.046 -19.341 2.190 830 1HB HIS 109 2HB HIS 109 5.325 -17.640 0.539 831 2HB HIS 109 1HB HIS 109 4.746 -16.494 1.741 832 HD1 HIS 109 1HD HIS 109 7.250 -16.104 2.434 833 HD2 HIS 109 2HD HIS 109 5.816 -19.946 3.112 834 HE1 HIS 109 1HE HIS 109 8.917 -17.182 3.977 835 HE2 HIS 109 2HE HIS 109 8.059 -19.524 4.331 836 H GLU 110 H GLU 110 2.671 -19.378 3.847 837 HA GLU 110 HA GLU 110 1.274 -18.699 5.507 838 1HB GLU 110 2HB GLU 110 2.067 -15.856 4.944 839 2HB GLU 110 1HB GLU 110 1.643 -16.594 6.482 840 1HG GLU 110 2HG GLU 110 4.104 -17.364 4.946 841 2HG GLU 110 1HG GLU 110 4.081 -16.043 6.114 842 H ARG 111 H ARG 111 -0.838 -18.846 5.199 843 HA ARG 111 HA ARG 111 -2.116 -17.054 3.245 844 1HB ARG 111 2HB ARG 111 -3.150 -19.675 4.340 845 2HB ARG 111 1HB ARG 111 -3.892 -18.709 3.072 846 1HG ARG 111 2HG ARG 111 -1.197 -20.043 2.900 847 2HG ARG 111 1HG ARG 111 -2.692 -20.640 2.175 848 1HD ARG 111 2HD ARG 111 -1.487 -17.947 1.560 849 2HD ARG 111 1HD ARG 111 -1.172 -19.399 0.611 850 HE ARG 111 HE ARG 111 -3.865 -19.273 0.625 851 1HH1 ARG 111 1HH1 ARG 111 -1.396 -16.926 -0.141 852 2HH1 ARG 111 2HH1 ARG 111 -2.379 -16.083 -1.289 853 1HH2 ARG 111 1HH2 ARG 111 -5.158 -18.165 -0.886 854 2HH2 ARG 111 2HH2 ARG 111 -4.515 -16.785 -1.712 855 H ARG 112 H ARG 112 -3.769 -15.743 3.837 856 HA ARG 112 HA ARG 112 -4.874 -15.994 6.539 857 1HB ARG 112 2HB ARG 112 -2.912 -14.261 6.253 858 2HB ARG 112 1HB ARG 112 -4.168 -13.266 5.530 859 1HG ARG 112 2HG ARG 112 -5.173 -14.346 7.960 860 2HG ARG 112 1HG ARG 112 -3.580 -13.653 8.269 861 1HD ARG 112 2HD ARG 112 -4.289 -11.546 7.915 862 2HD ARG 112 1HD ARG 112 -5.336 -12.016 6.577 863 HE ARG 112 HE ARG 112 -6.497 -12.966 8.921 864 1HH1 ARG 112 1HH1 ARG 112 -5.715 -9.896 7.456 865 2HH1 ARG 112 2HH1 ARG 112 -7.017 -9.055 8.231 866 1HH2 ARG 112 1HH2 ARG 112 -8.208 -11.861 9.939 867 2HH2 ARG 112 2HH2 ARG 112 -8.431 -10.170 9.641 868 H ASP 113 H ASP 113 -5.072 -13.691 3.821 869 HA ASP 113 HA ASP 113 -7.953 -14.273 3.643 870 1HB ASP 113 2HB ASP 113 -7.028 -11.941 4.667 871 2HB ASP 113 1HB ASP 113 -7.089 -11.524 2.957 872 H GLU 114 H GLU 114 -8.840 -14.249 1.569 873 HA GLU 114 HA GLU 114 -6.876 -14.025 -0.618 874 1HB GLU 114 2HB GLU 114 -7.949 -16.345 0.122 875 2HB GLU 114 1HB GLU 114 -9.253 -15.791 -0.918 876 1HG GLU 114 2HG GLU 114 -7.141 -15.331 -2.522 877 2HG GLU 114 1HG GLU 114 -6.543 -16.709 -1.598 878 H VAL 115 H VAL 115 -7.313 -12.118 -1.548 879 HA VAL 115 HA VAL 115 -10.093 -11.338 -2.086 880 HB VAL 115 HB VAL 115 -8.948 -9.207 -2.911 881 1HG1 VAL 115 1HG1 VAL 115 -9.020 -10.124 -0.070 882 2HG1 VAL 115 2HG1 VAL 115 -10.070 -8.978 -0.903 883 3HG1 VAL 115 3HG1 VAL 115 -8.426 -8.511 -0.468 884 1HG2 VAL 115 1HG2 VAL 115 -6.667 -10.592 -2.818 885 2HG2 VAL 115 2HG2 VAL 115 -6.623 -9.866 -1.211 886 3HG2 VAL 115 3HG2 VAL 115 -6.730 -8.838 -2.640 887 H LYS 116 H LYS 116 -10.927 -11.754 -4.036 888 HA LYS 116 HA LYS 116 -9.415 -12.943 -6.101 889 1HB LYS 116 2HB LYS 116 -11.469 -12.842 -7.424 890 2HB LYS 116 1HB LYS 116 -11.781 -13.436 -5.799 891 1HG LYS 116 2HG LYS 116 -13.475 -11.978 -5.850 892 2HG LYS 116 1HG LYS 116 -12.229 -10.792 -5.460 893 1HD LYS 116 2HD LYS 116 -12.417 -9.791 -7.455 894 2HD LYS 116 1HD LYS 116 -12.423 -11.331 -8.317 895 1HE LYS 116 2HE LYS 116 -14.780 -10.043 -6.942 896 2HE LYS 116 1HE LYS 116 -14.508 -10.129 -8.682 897 1HZ LYS 116 1HZ LYS 116 -14.380 -12.712 -7.512 898 2HZ LYS 116 2HZ LYS 116 -15.396 -12.145 -8.739 899 3HZ LYS 116 3HZ LYS 116 -15.844 -11.961 -7.119 900 H ALA 117 H ALA 117 -9.629 -9.695 -5.232 901 HA ALA 117 HA ALA 117 -8.052 -8.828 -7.376 902 1HB ALA 117 1HB ALA 117 -9.807 -9.004 -8.893 903 2HB ALA 117 2HB ALA 117 -9.818 -7.299 -8.443 904 3HB ALA 117 3HB ALA 117 -10.995 -8.405 -7.736 905 H VAL 118 H VAL 118 -7.882 -6.413 -7.498 906 HA VAL 118 HA VAL 118 -8.461 -5.210 -4.868 907 HB VAL 118 HB VAL 118 -6.070 -4.778 -6.666 908 1HG1 VAL 118 1HG1 VAL 118 -5.646 -3.499 -4.211 909 2HG1 VAL 118 2HG1 VAL 118 -7.261 -3.016 -4.729 910 3HG1 VAL 118 3HG1 VAL 118 -5.877 -2.745 -5.789 911 1HG2 VAL 118 1HG2 VAL 118 -6.475 -6.744 -4.827 912 2HG2 VAL 118 2HG2 VAL 118 -5.683 -5.505 -3.853 913 3HG2 VAL 118 3HG2 VAL 118 -4.896 -6.121 -5.306 914 H THR 119 H THR 119 -10.109 -3.824 -5.141 915 HA THR 119 HA THR 119 -10.076 -2.088 -7.522 916 HB THR 119 HB THR 119 -12.498 -2.801 -5.870 917 HG1 THR 119 1HG THR 119 -11.437 -4.020 -8.188 918 1HG2 THR 119 1HG2 THR 119 -13.023 -2.215 -8.613 919 2HG2 THR 119 2HG2 THR 119 -12.126 -0.885 -7.879 920 3HG2 THR 119 3HG2 THR 119 -13.643 -1.427 -7.161 921 H PHE 120 H PHE 120 -9.154 -0.225 -6.899 922 HA PHE 120 HA PHE 120 -8.912 0.953 -4.461 923 1HB PHE 120 2HB PHE 120 -9.041 3.178 -5.754 924 2HB PHE 120 1HB PHE 120 -7.802 2.019 -6.220 925 HD1 PHE 120 1HD PHE 120 -7.849 0.944 -8.354 926 HD2 PHE 120 2HD PHE 120 -10.997 3.553 -7.174 927 HE1 PHE 120 1HE PHE 120 -8.664 1.005 -10.676 928 HE2 PHE 120 2HE PHE 120 -11.818 3.617 -9.492 929 HZ PHE 120 HZ PHE 120 -10.652 2.342 -11.247 930 H HIS 121 H HIS 121 -10.451 1.257 -2.937 931 HA HIS 121 HA HIS 121 -13.196 1.450 -3.357 932 1HB HIS 121 2HB HIS 121 -12.150 1.091 -1.104 933 2HB HIS 121 1HB HIS 121 -11.666 2.774 -1.100 934 HD1 HIS 121 1HD HIS 121 -15.024 2.013 -2.453 935 HD2 HIS 121 2HD HIS 121 -13.335 3.146 1.170 936 HE1 HIS 121 1HE HIS 121 -16.948 2.769 -1.022 937 HE2 HIS 121 2HE HIS 121 -15.891 3.539 1.131 938 H MET 122 H MET 122 -10.696 3.764 -3.033 939 HA MET 122 HA MET 122 -11.837 5.739 -4.709 940 1HB MET 122 2HB MET 122 -12.935 6.020 -2.333 941 2HB MET 122 1HB MET 122 -11.371 6.699 -1.901 942 1HG MET 122 2HG MET 122 -12.934 8.445 -2.496 943 2HG MET 122 1HG MET 122 -11.607 8.376 -3.653 944 1HE MET 122 1HE MET 122 -14.985 7.512 -2.661 945 2HE MET 122 2HE MET 122 -15.604 6.493 -3.961 946 3HE MET 122 3HE MET 122 -15.897 8.232 -3.988 947 H MET 123 H MET 123 -9.521 4.688 -2.284 948 HA MET 123 HA MET 123 -7.296 5.017 -2.027 949 1HB MET 123 2HB MET 123 -7.722 4.888 -4.983 950 2HB MET 123 1HB MET 123 -6.122 5.274 -4.381 951 1HG MET 123 2HG MET 123 -6.444 3.166 -2.908 952 2HG MET 123 1HG MET 123 -7.683 2.758 -4.093 953 1HE MET 123 1HE MET 123 -6.813 0.767 -4.505 954 2HE MET 123 2HE MET 123 -5.095 0.375 -4.594 955 3HE MET 123 3HE MET 123 -6.026 0.604 -6.075 956 H GLU 124 H GLU 124 -8.004 7.052 -1.014 957 HA GLU 124 HA GLU 124 -6.442 9.230 -2.081 958 1HB GLU 124 2HB GLU 124 -8.204 10.842 -2.261 959 2HB GLU 124 1HB GLU 124 -8.665 9.445 -3.225 960 1HG GLU 124 2HG GLU 124 -10.560 9.267 -2.111 961 2HG GLU 124 1HG GLU 124 -9.680 9.091 -0.594 962 H ILE 125 H ILE 125 -5.912 10.755 -0.514 963 HA ILE 125 HA ILE 125 -6.481 9.868 2.203 964 HB ILE 125 HB ILE 125 -4.449 11.856 1.218 965 1HG1 ILE 125 2HG1 ILE 125 -3.985 9.077 2.295 966 2HG1 ILE 125 1HG1 ILE 125 -4.100 9.439 0.575 967 1HG2 ILE 125 1HG2 ILE 125 -4.864 10.685 3.962 968 2HG2 ILE 125 2HG2 ILE 125 -5.129 12.362 3.487 969 3HG2 ILE 125 3HG2 ILE 125 -3.498 11.691 3.480 970 1HD1 ILE 125 1HD1 ILE 125 -2.058 10.528 2.495 971 2HD1 ILE 125 2HD1 ILE 125 -2.187 10.959 0.792 972 3HD1 ILE 125 3HD1 ILE 125 -1.791 9.304 1.254 973 H LEU 126 H LEU 126 -8.122 10.787 3.216 974 HA LEU 126 HA LEU 126 -8.811 13.578 2.576 975 1HB LEU 126 2HB LEU 126 -10.621 11.935 2.336 976 2HB LEU 126 1HB LEU 126 -10.411 11.450 4.007 977 HG LEU 126 HG LEU 126 -11.003 14.316 3.477 978 1HD1 LEU 126 1HD1 LEU 126 -12.531 12.913 2.017 979 2HD1 LEU 126 2HD1 LEU 126 -13.312 13.999 3.167 980 3HD1 LEU 126 3HD1 LEU 126 -13.204 12.273 3.516 981 1HD2 LEU 126 1HD2 LEU 126 -10.719 13.844 5.733 982 2HD2 LEU 126 2HD2 LEU 126 -11.548 12.293 5.616 983 3HD2 LEU 126 3HD2 LEU 126 -12.469 13.794 5.533 984 H ASP 127 H ASP 127 -8.682 15.161 4.122 985 HA ASP 127 HA ASP 127 -7.377 14.366 6.606 986 1HB ASP 127 2HB ASP 127 -7.439 16.815 4.957 987 2HB ASP 127 1HB ASP 127 -7.331 17.066 6.697 988 H GLU 128 H GLU 128 -8.423 14.212 8.434 989 HA GLU 128 HA GLU 128 -10.821 15.858 8.876 990 1HB GLU 128 2HB GLU 128 -11.894 14.053 10.042 991 2HB GLU 128 1HB GLU 128 -11.387 13.457 8.467 992 1HG GLU 128 2HG GLU 128 -10.738 11.723 9.787 993 2HG GLU 128 1HG GLU 128 -9.262 12.686 9.798 994 H ASP 129 H ASP 129 -10.695 17.118 10.668 995 HA ASP 129 HA ASP 129 -9.925 17.993 12.646 996 1HB ASP 129 2HB ASP 129 -10.567 15.490 13.241 997 2HB ASP 129 1HB ASP 129 -8.824 15.339 13.455 998 H GLY 130 H GLY 130 -8.094 17.462 10.264 999 1HA GLY 130 2HA GLY 130 -5.936 18.306 9.879 1000 2HA GLY 130 1HA GLY 130 -5.630 18.244 11.611 1001 H LEU 131 H LEU 131 -7.047 15.407 10.851 1002 HA LEU 131 HA LEU 131 -4.491 13.999 10.734 1003 1HB LEU 131 2HB LEU 131 -6.950 13.570 12.098 1004 2HB LEU 131 1HB LEU 131 -6.727 12.234 10.985 1005 HG LEU 131 HG LEU 131 -4.416 12.995 12.696 1006 1HD1 LEU 131 1HD1 LEU 131 -6.003 13.036 14.408 1007 2HD1 LEU 131 2HD1 LEU 131 -5.389 11.382 14.431 1008 3HD1 LEU 131 3HD1 LEU 131 -6.950 11.734 13.688 1009 1HD2 LEU 131 1HD2 LEU 131 -5.578 10.413 11.667 1010 2HD2 LEU 131 2HD2 LEU 131 -4.146 10.529 12.691 1011 3HD2 LEU 131 3HD2 LEU 131 -4.135 11.244 11.078 1012 H ILE 132 H ILE 132 -4.063 12.439 9.149 1013 HA ILE 132 HA ILE 132 -5.629 12.780 6.692 1014 HB ILE 132 HB ILE 132 -3.607 11.327 5.801 1015 1HG1 ILE 132 2HG1 ILE 132 -2.766 11.260 8.283 1016 2HG1 ILE 132 1HG1 ILE 132 -1.610 11.455 6.972 1017 1HG2 ILE 132 1HG2 ILE 132 -3.934 14.235 6.214 1018 2HG2 ILE 132 2HG2 ILE 132 -3.727 13.314 4.725 1019 3HG2 ILE 132 3HG2 ILE 132 -2.328 13.686 5.734 1020 1HD1 ILE 132 1HD1 ILE 132 -1.422 13.795 7.398 1021 2HD1 ILE 132 2HD1 ILE 132 -1.217 12.935 8.926 1022 3HD1 ILE 132 3HD1 ILE 132 -2.743 13.741 8.565 1023 H LYS 133 H LYS 133 -6.702 11.137 5.731 1024 HA LYS 133 HA LYS 133 -6.260 8.433 6.768 1025 1HB LYS 133 2HB LYS 133 -8.965 9.715 6.346 1026 2HB LYS 133 1HB LYS 133 -8.700 8.022 6.737 1027 1HG LYS 133 2HG LYS 133 -7.969 8.516 8.900 1028 2HG LYS 133 1HG LYS 133 -7.693 10.215 8.514 1029 1HD LYS 133 2HD LYS 133 -9.713 9.888 9.879 1030 2HD LYS 133 1HD LYS 133 -10.081 10.583 8.299 1031 1HE LYS 133 2HE LYS 133 -11.714 8.903 8.749 1032 2HE LYS 133 1HE LYS 133 -10.635 8.280 7.504 1033 1HZ LYS 133 1HZ LYS 133 -9.609 6.849 9.008 1034 2HZ LYS 133 2HZ LYS 133 -11.249 6.736 9.407 1035 3HZ LYS 133 3HZ LYS 133 -10.210 7.666 10.363 1036 H ALA 134 H ALA 134 -6.265 6.875 5.262 1037 HA ALA 134 HA ALA 134 -6.963 7.607 2.482 1038 1HB ALA 134 1HB ALA 134 -5.255 5.514 2.191 1039 2HB ALA 134 2HB ALA 134 -4.604 6.287 3.638 1040 3HB ALA 134 3HB ALA 134 -4.773 7.210 2.145 1041 H ARG 135 H ARG 135 -8.178 6.071 1.257 1042 HA ARG 135 HA ARG 135 -9.058 3.696 2.754 1043 1HB ARG 135 2HB ARG 135 -11.339 4.079 1.701 1044 2HB ARG 135 1HB ARG 135 -10.862 5.148 3.014 1045 1HG ARG 135 2HG ARG 135 -10.936 6.950 1.719 1046 2HG ARG 135 1HG ARG 135 -10.062 6.151 0.404 1047 1HD ARG 135 2HD ARG 135 -12.002 5.359 -0.568 1048 2HD ARG 135 1HD ARG 135 -12.910 5.424 0.941 1049 HE ARG 135 HE ARG 135 -12.108 8.000 -0.074 1050 1HH1 ARG 135 1HH1 ARG 135 -14.572 5.527 -0.123 1051 2HH1 ARG 135 2HH1 ARG 135 -15.829 6.616 -0.604 1052 1HH2 ARG 135 1HH2 ARG 135 -13.761 9.431 -0.705 1053 2HH2 ARG 135 2HH2 ARG 135 -15.370 8.831 -0.936 1054 H VAL 136 H VAL 136 -8.766 1.818 1.758 1055 HA VAL 136 HA VAL 136 -8.998 1.759 -1.176 1056 HB VAL 136 HB VAL 136 -6.953 0.163 0.353 1057 1HG1 VAL 136 1HG1 VAL 136 -6.368 -0.787 -1.602 1058 2HG1 VAL 136 2HG1 VAL 136 -6.645 0.691 -2.523 1059 3HG1 VAL 136 3HG1 VAL 136 -8.004 -0.346 -2.089 1060 1HG2 VAL 136 1HG2 VAL 136 -6.866 2.902 -0.746 1061 2HG2 VAL 136 2HG2 VAL 136 -5.481 1.872 -1.109 1062 3HG2 VAL 136 3HG2 VAL 136 -5.941 2.174 0.568 1063 H ILE 137 H ILE 137 -10.597 0.484 -1.737 1064 HA ILE 137 HA ILE 137 -11.609 -1.714 -0.185 1065 HB ILE 137 HB ILE 137 -12.601 -0.173 -2.510 1066 1HG1 ILE 137 2HG1 ILE 137 -13.310 -0.044 -0.006 1067 2HG1 ILE 137 1HG1 ILE 137 -14.548 0.033 -1.253 1068 1HG2 ILE 137 1HG2 ILE 137 -14.335 -2.003 -2.913 1069 2HG2 ILE 137 2HG2 ILE 137 -13.180 -3.086 -2.136 1070 3HG2 ILE 137 3HG2 ILE 137 -12.730 -2.225 -3.608 1071 1HD1 ILE 137 1HD1 ILE 137 -13.947 -2.671 -0.308 1072 2HD1 ILE 137 2HD1 ILE 137 -15.496 -1.881 -0.597 1073 3HD1 ILE 137 3HD1 ILE 137 -14.628 -1.592 0.909 1074 H LEU 138 H LEU 138 -11.532 -3.809 -0.742 1075 HA LEU 138 HA LEU 138 -9.958 -4.549 -3.097 1076 1HB LEU 138 2HB LEU 138 -9.723 -5.617 -0.283 1077 2HB LEU 138 1HB LEU 138 -8.957 -6.359 -1.681 1078 HG LEU 138 HG LEU 138 -7.341 -4.979 -0.488 1079 1HD1 LEU 138 1HD1 LEU 138 -8.052 -3.407 -2.936 1080 2HD1 LEU 138 2HD1 LEU 138 -7.534 -5.090 -3.074 1081 3HD1 LEU 138 3HD1 LEU 138 -6.462 -3.893 -2.343 1082 1HD2 LEU 138 1HD2 LEU 138 -7.774 -2.949 0.352 1083 2HD2 LEU 138 2HD2 LEU 138 -9.470 -3.304 0.034 1084 3HD2 LEU 138 3HD2 LEU 138 -8.528 -2.392 -1.143 1085 H ASP 139 H ASP 139 -10.500 -6.600 -4.020 1086 HA ASP 139 HA ASP 139 -13.298 -7.190 -3.697 1087 1HB ASP 139 2HB ASP 139 -11.643 -7.206 -5.841 1088 2HB ASP 139 1HB ASP 139 -11.687 -8.925 -5.460 1089 H LEU 140 H LEU 140 -14.246 -8.911 -2.875 1090 HA LEU 140 HA LEU 140 -13.346 -10.331 -0.788 1091 1HB LEU 140 2HB LEU 140 -15.595 -10.418 -2.458 1092 2HB LEU 140 1HB LEU 140 -15.018 -12.071 -2.362 1093 HG LEU 140 HG LEU 140 -16.738 -11.531 -0.665 1094 1HD1 LEU 140 1HD1 LEU 140 -15.123 -12.179 1.342 1095 2HD1 LEU 140 2HD1 LEU 140 -14.016 -12.488 0.003 1096 3HD1 LEU 140 3HD1 LEU 140 -15.565 -13.327 0.077 1097 1HD2 LEU 140 1HD2 LEU 140 -15.627 -9.138 -0.414 1098 2HD2 LEU 140 2HD2 LEU 140 -14.765 -9.954 0.891 1099 3HD2 LEU 140 3HD2 LEU 140 -16.528 -9.893 0.901 Start of MODEL 10 1 1H MET 1 1HT MET 1 -11.481 1.647 13.932 2 2H MET 1 2HT MET 1 -10.565 0.222 14.206 3 3H MET 1 3HT MET 1 -9.945 1.461 13.194 4 HA MET 1 HA MET 1 -10.045 2.951 15.150 5 1HB MET 1 2HB MET 1 -10.134 1.860 17.329 6 2HB MET 1 1HB MET 1 -11.604 1.528 16.423 7 1HG MET 1 2HG MET 1 -11.018 -0.688 16.042 8 2HG MET 1 1HG MET 1 -9.317 -0.398 16.398 9 1HE MET 1 1HE MET 1 -12.679 -1.612 19.052 10 2HE MET 1 2HE MET 1 -11.707 -2.756 18.126 11 3HE MET 1 3HE MET 1 -12.565 -1.457 17.299 12 H LYS 2 H LYS 2 -8.158 2.828 16.800 13 HA LYS 2 HA LYS 2 -5.923 2.631 17.164 14 1HB LYS 2 2HB LYS 2 -6.234 0.007 15.696 15 2HB LYS 2 1HB LYS 2 -4.842 0.482 16.660 16 1HG LYS 2 2HG LYS 2 -7.633 0.193 17.745 17 2HG LYS 2 1HG LYS 2 -6.397 -1.064 17.814 18 1HD LYS 2 2HD LYS 2 -5.567 1.575 18.819 19 2HD LYS 2 1HD LYS 2 -6.821 0.768 19.764 20 1HE LYS 2 2HE LYS 2 -5.454 -1.061 20.239 21 2HE LYS 2 1HE LYS 2 -4.346 -0.694 18.917 22 1HZ LYS 2 1HZ LYS 2 -3.592 1.250 20.133 23 2HZ LYS 2 2HZ LYS 2 -3.384 -0.146 21.065 24 3HZ LYS 2 3HZ LYS 2 -4.663 0.909 21.399 25 H GLY 3 H GLY 3 -7.008 3.831 14.660 26 1HA GLY 3 2HA GLY 3 -5.756 5.108 13.115 27 2HA GLY 3 1HA GLY 3 -4.446 3.947 13.253 28 H PHE 4 H PHE 4 -6.888 1.920 12.923 29 HA PHE 4 HA PHE 4 -7.242 2.234 10.039 30 1HB PHE 4 2HB PHE 4 -6.370 0.140 9.460 31 2HB PHE 4 1HB PHE 4 -5.196 0.795 10.593 32 HD1 PHE 4 1HD PHE 4 -7.503 -1.883 9.908 33 HD2 PHE 4 2HD PHE 4 -5.187 -0.019 12.953 34 HE1 PHE 4 1HE PHE 4 -7.708 -3.904 11.296 35 HE2 PHE 4 2HE PHE 4 -5.388 -2.037 14.346 36 HZ PHE 4 HZ PHE 4 -6.649 -3.983 13.518 37 H GLU 5 H GLU 5 -9.152 1.457 9.262 38 HA GLU 5 HA GLU 5 -10.802 -0.285 10.910 39 1HB GLU 5 2HB GLU 5 -12.772 1.359 10.420 40 2HB GLU 5 1HB GLU 5 -11.711 1.654 11.789 41 1HG GLU 5 2HG GLU 5 -11.344 3.687 11.009 42 2HG GLU 5 1HG GLU 5 -10.542 2.977 9.610 43 H PHE 6 H PHE 6 -12.040 -1.641 9.690 44 HA PHE 6 HA PHE 6 -12.036 -1.132 6.788 45 1HB PHE 6 2HB PHE 6 -12.320 -3.688 6.667 46 2HB PHE 6 1HB PHE 6 -10.739 -3.050 7.100 47 HD1 PHE 6 1HD PHE 6 -13.530 -5.070 8.140 48 HD2 PHE 6 2HD PHE 6 -10.024 -3.072 9.489 49 HE1 PHE 6 1HE PHE 6 -13.552 -6.427 10.192 50 HE2 PHE 6 2HE PHE 6 -10.038 -4.425 11.544 51 HZ PHE 6 HZ PHE 6 -11.805 -6.105 11.897 52 H PHE 7 H PHE 7 -13.850 -1.574 5.559 53 HA PHE 7 HA PHE 7 -16.348 -1.838 7.092 54 1HB PHE 7 2HB PHE 7 -17.288 -0.901 4.791 55 2HB PHE 7 1HB PHE 7 -16.672 0.175 6.037 56 HD1 PHE 7 1HD PHE 7 -14.421 1.185 5.791 57 HD2 PHE 7 2HD PHE 7 -16.228 -1.097 2.685 58 HE1 PHE 7 1HE PHE 7 -12.847 2.158 4.162 59 HE2 PHE 7 2HE PHE 7 -14.656 -0.131 1.056 60 HZ PHE 7 HZ PHE 7 -12.964 1.499 1.795 61 H ASP 8 H ASP 8 -17.831 -3.382 6.518 62 HA ASP 8 HA ASP 8 -16.790 -5.569 4.953 63 1HB ASP 8 2HB ASP 8 -18.896 -6.722 5.685 64 2HB ASP 8 1HB ASP 8 -17.862 -6.159 6.995 65 H VAL 9 H VAL 9 -16.894 -5.359 2.823 66 HA VAL 9 HA VAL 9 -19.434 -4.520 1.594 67 HB VAL 9 HB VAL 9 -16.615 -4.145 0.786 68 1HG1 VAL 9 1HG1 VAL 9 -18.518 -4.369 -1.493 69 2HG1 VAL 9 2HG1 VAL 9 -17.768 -5.838 -0.884 70 3HG1 VAL 9 3HG1 VAL 9 -16.763 -4.519 -1.468 71 1HG2 VAL 9 1HG2 VAL 9 -17.987 -2.268 1.315 72 2HG2 VAL 9 2HG2 VAL 9 -19.198 -2.782 0.137 73 3HG2 VAL 9 3HG2 VAL 9 -17.608 -2.244 -0.409 74 H THR 10 H THR 10 -20.298 -5.793 -0.112 75 HA THR 10 HA THR 10 -19.651 -8.600 0.176 76 HB THR 10 HB THR 10 -21.844 -7.223 -1.385 77 HG1 THR 10 1HG THR 10 -22.050 -7.115 0.897 78 1HG2 THR 10 1HG2 THR 10 -21.087 -10.069 -1.196 79 2HG2 THR 10 2HG2 THR 10 -21.903 -9.189 -2.488 80 3HG2 THR 10 3HG2 THR 10 -22.802 -9.683 -1.053 81 H ALA 11 H ALA 11 -18.009 -9.372 -1.033 82 HA ALA 11 HA ALA 11 -17.220 -10.117 -3.159 83 1HB ALA 11 1HB ALA 11 -17.939 -7.410 -4.271 84 2HB ALA 11 2HB ALA 11 -19.048 -8.783 -4.322 85 3HB ALA 11 3HB ALA 11 -17.496 -8.872 -5.155 86 H ASP 12 H ASP 12 -16.949 -6.799 -2.079 87 HA ASP 12 HA ASP 12 -14.026 -7.015 -2.169 88 1HB ASP 12 2HB ASP 12 -14.740 -4.266 -2.209 89 2HB ASP 12 1HB ASP 12 -13.923 -5.186 -3.453 90 H ALA 13 H ALA 13 -12.971 -5.396 -0.687 91 HA ALA 13 HA ALA 13 -14.508 -4.625 1.646 92 1HB ALA 13 1HB ALA 13 -13.341 -7.067 1.758 93 2HB ALA 13 2HB ALA 13 -13.595 -6.032 3.163 94 3HB ALA 13 3HB ALA 13 -12.028 -6.052 2.353 95 H GLY 14 H GLY 14 -13.871 -2.555 2.063 96 1HA GLY 14 2HA GLY 14 -11.114 -1.846 1.271 97 2HA GLY 14 1HA GLY 14 -12.436 -0.697 1.276 98 H PHE 15 H PHE 15 -9.735 -1.017 2.680 99 HA PHE 15 HA PHE 15 -10.663 -0.825 5.455 100 1HB PHE 15 2HB PHE 15 -7.796 -1.037 4.550 101 2HB PHE 15 1HB PHE 15 -8.454 -1.356 6.149 102 HD1 PHE 15 1HD PHE 15 -8.845 -3.530 6.780 103 HD2 PHE 15 2HD PHE 15 -8.711 -2.583 2.634 104 HE1 PHE 15 1HE PHE 15 -9.039 -5.919 6.232 105 HE2 PHE 15 2HE PHE 15 -8.909 -4.969 2.078 106 HZ PHE 15 HZ PHE 15 -9.073 -6.642 3.877 107 H TRP 16 H TRP 16 -9.755 0.816 6.803 108 HA TRP 16 HA TRP 16 -9.152 3.272 5.309 109 1HB TRP 16 2HB TRP 16 -10.818 2.725 7.704 110 2HB TRP 16 1HB TRP 16 -9.887 4.216 7.721 111 HD1 TRP 16 HD TRP 16 -13.081 2.807 6.504 112 HE1 TRP 16 1HE TRP 16 -14.267 4.477 4.947 113 HE3 TRP 16 3HE TRP 16 -9.231 6.084 5.747 114 HZ2 TRP 16 2HZ TRP 16 -13.654 6.868 3.582 115 HZ3 TRP 16 3HZ TRP 16 -9.615 8.039 4.301 116 HH2 TRP 16 HH TRP 16 -11.782 8.421 3.242 117 H ALA 17 H ALA 17 -7.287 4.273 5.692 118 HA ALA 17 HA ALA 17 -5.656 3.354 7.976 119 1HB ALA 17 1HB ALA 17 -5.058 3.250 5.190 120 2HB ALA 17 2HB ALA 17 -4.044 2.773 6.552 121 3HB ALA 17 3HB ALA 17 -3.985 4.429 5.946 122 H TYR 18 H TYR 18 -4.418 4.797 8.998 123 HA TYR 18 HA TYR 18 -5.315 7.567 8.656 124 1HB TYR 18 2HB TYR 18 -4.695 5.838 10.991 125 2HB TYR 18 1HB TYR 18 -4.462 7.558 11.139 126 HD1 TYR 18 1HD TYR 18 -7.037 5.240 9.789 127 HD2 TYR 18 2HD TYR 18 -6.231 8.731 12.079 128 HE1 TYR 18 1HE TYR 18 -9.432 5.477 10.249 129 HE2 TYR 18 2HE TYR 18 -8.632 8.985 12.546 130 HH TYR 18 HH TYR 18 -10.794 8.290 11.509 131 H GLY 19 H GLY 19 -3.806 9.253 9.235 132 1HA GLY 19 2HA GLY 19 -1.052 8.515 8.486 133 2HA GLY 19 1HA GLY 19 -1.798 10.030 8.133 134 H HIS 20 H HIS 20 0.327 10.467 8.930 135 HA HIS 20 HA HIS 20 0.125 11.460 11.623 136 1HB HIS 20 2HB HIS 20 1.414 9.868 12.434 137 2HB HIS 20 1HB HIS 20 1.537 9.113 10.879 138 HD1 HIS 20 1HD HIS 20 3.735 9.126 9.746 139 HD2 HIS 20 2HD HIS 20 3.627 11.741 12.970 140 HE1 HIS 20 1HE HIS 20 6.084 9.927 10.016 141 HE2 HIS 20 2HE HIS 20 6.028 11.430 12.048 142 H ASP 21 H ASP 21 0.727 11.945 8.466 143 HA ASP 21 HA ASP 21 1.545 14.531 8.535 144 1HB ASP 21 2HB ASP 21 3.784 12.764 9.144 145 2HB ASP 21 1HB ASP 21 4.101 13.764 7.730 146 H LEU 22 H LEU 22 0.024 12.728 6.994 147 HA LEU 22 HA LEU 22 -0.637 12.456 4.842 148 1HB LEU 22 2HB LEU 22 1.465 14.514 4.578 149 2HB LEU 22 1HB LEU 22 1.175 13.573 3.131 150 HG LEU 22 HG LEU 22 -0.127 15.593 3.049 151 1HD1 LEU 22 1HD1 LEU 22 -1.517 14.250 1.944 152 2HD1 LEU 22 2HD1 LEU 22 -2.507 14.277 3.402 153 3HD1 LEU 22 3HD1 LEU 22 -1.366 12.960 3.136 154 1HD2 LEU 22 1HD2 LEU 22 -1.988 15.062 5.192 155 2HD2 LEU 22 2HD2 LEU 22 -1.093 16.532 4.814 156 3HD2 LEU 22 3HD2 LEU 22 -0.348 15.277 5.803 157 H GLU 23 H GLU 23 2.914 12.298 5.021 158 HA GLU 23 HA GLU 23 3.291 10.326 3.106 159 1HB GLU 23 2HB GLU 23 4.940 10.437 5.620 160 2HB GLU 23 1HB GLU 23 5.456 10.040 3.992 161 1HG GLU 23 2HG GLU 23 6.177 12.120 3.803 162 2HG GLU 23 1HG GLU 23 4.491 12.638 3.805 163 H GLU 24 H GLU 24 2.597 10.050 6.553 164 HA GLU 24 HA GLU 24 2.908 7.348 6.937 165 1HB GLU 24 2HB GLU 24 2.374 9.121 8.648 166 2HB GLU 24 1HB GLU 24 0.692 8.946 8.178 167 1HG GLU 24 2HG GLU 24 0.812 7.553 9.997 168 2HG GLU 24 1HG GLU 24 1.075 6.431 8.663 169 H VAL 25 H VAL 25 -0.116 8.985 5.850 170 HA VAL 25 HA VAL 25 -1.666 6.639 5.855 171 HB VAL 25 HB VAL 25 -3.035 7.934 4.017 172 1HG1 VAL 25 1HG1 VAL 25 -4.337 8.824 5.712 173 2HG1 VAL 25 2HG1 VAL 25 -2.946 9.188 6.730 174 3HG1 VAL 25 3HG1 VAL 25 -3.470 7.518 6.519 175 1HG2 VAL 25 1HG2 VAL 25 -1.407 10.165 5.224 176 2HG2 VAL 25 2HG2 VAL 25 -2.757 10.325 4.103 177 3HG2 VAL 25 3HG2 VAL 25 -1.253 9.578 3.568 178 H PHE 26 H PHE 26 0.282 8.041 3.251 179 HA PHE 26 HA PHE 26 -0.602 6.472 1.151 180 1HB PHE 26 2HB PHE 26 2.130 7.610 1.721 181 2HB PHE 26 1HB PHE 26 1.715 6.824 0.200 182 HD1 PHE 26 1HD PHE 26 -0.535 7.731 -0.882 183 HD2 PHE 26 2HD PHE 26 1.931 9.894 1.825 184 HE1 PHE 26 1HE PHE 26 -1.476 9.844 -1.716 185 HE2 PHE 26 2HE PHE 26 0.993 12.010 0.993 186 HZ PHE 26 HZ PHE 26 -0.711 11.987 -0.782 187 H GLU 27 H GLU 27 2.156 5.767 3.300 188 HA GLU 27 HA GLU 27 2.596 3.165 2.218 189 1HB GLU 27 2HB GLU 27 3.692 4.803 4.386 190 2HB GLU 27 1HB GLU 27 3.756 3.093 4.671 191 1HG GLU 27 2HG GLU 27 4.945 4.565 2.355 192 2HG GLU 27 1HG GLU 27 5.810 3.769 3.660 193 H ASN 28 H ASN 28 0.681 4.446 4.854 194 HA ASN 28 HA ASN 28 0.141 2.046 6.204 195 1HB ASN 28 2HB ASN 28 -0.396 4.447 6.936 196 2HB ASN 28 1HB ASN 28 -1.841 4.303 5.941 197 1HD2 ASN 28 1HD2 ASN 28 -2.180 4.802 8.541 198 2HD2 ASN 28 2HD2 ASN 28 -2.775 3.407 9.369 199 H ALA 29 H ALA 29 -1.113 3.390 3.252 200 HA ALA 29 HA ALA 29 -3.516 2.016 2.982 201 1HB ALA 29 1HB ALA 29 -3.361 2.439 0.642 202 2HB ALA 29 2HB ALA 29 -1.606 2.598 0.727 203 3HB ALA 29 3HB ALA 29 -2.639 3.817 1.473 204 H ALA 30 H ALA 30 -0.235 1.020 2.079 205 HA ALA 30 HA ALA 30 -0.976 -1.498 1.014 206 1HB ALA 30 1HB ALA 30 1.697 -0.755 2.196 207 2HB ALA 30 2HB ALA 30 1.178 -0.304 0.571 208 3HB ALA 30 3HB ALA 30 1.359 -2.006 0.999 209 H LEU 31 H LEU 31 -0.381 -0.335 4.235 210 HA LEU 31 HA LEU 31 0.196 -2.717 5.562 211 1HB LEU 31 2HB LEU 31 -0.165 -0.096 6.286 212 2HB LEU 31 1HB LEU 31 -1.538 -0.878 7.045 213 HG LEU 31 HG LEU 31 0.916 -2.355 7.519 214 1HD1 LEU 31 1HD1 LEU 31 2.193 -0.828 8.696 215 2HD1 LEU 31 2HD1 LEU 31 0.869 0.329 8.834 216 3HD1 LEU 31 3HD1 LEU 31 1.685 0.104 7.287 217 1HD2 LEU 31 1HD2 LEU 31 -0.641 -2.933 9.042 218 2HD2 LEU 31 2HD2 LEU 31 -1.444 -1.364 8.976 219 3HD2 LEU 31 3HD2 LEU 31 0.022 -1.564 9.936 220 H ALA 32 H ALA 32 -2.985 -1.131 5.231 221 HA ALA 32 HA ALA 32 -4.517 -3.110 6.430 222 1HB ALA 32 1HB ALA 32 -6.193 -2.123 4.492 223 2HB ALA 32 2HB ALA 32 -5.011 -0.826 4.685 224 3HB ALA 32 3HB ALA 32 -5.920 -1.401 6.084 225 H MET 33 H MET 33 -3.482 -2.813 3.059 226 HA MET 33 HA MET 33 -4.959 -5.067 2.139 227 1HB MET 33 2HB MET 33 -4.054 -3.122 0.752 228 2HB MET 33 1HB MET 33 -2.496 -3.933 0.827 229 1HG MET 33 2HG MET 33 -4.775 -5.582 -0.049 230 2HG MET 33 1HG MET 33 -4.275 -4.294 -1.144 231 1HE MET 33 1HE MET 33 -2.916 -7.627 -2.603 232 2HE MET 33 2HE MET 33 -3.042 -5.997 -3.265 233 3HE MET 33 3HE MET 33 -4.379 -6.677 -2.337 234 H PHE 34 H PHE 34 -1.525 -4.581 2.945 235 HA PHE 34 HA PHE 34 -0.735 -7.237 2.408 236 1HB PHE 34 2HB PHE 34 0.459 -4.886 3.764 237 2HB PHE 34 1HB PHE 34 1.123 -6.458 4.193 238 HD1 PHE 34 1HD PHE 34 1.661 -3.768 2.179 239 HD2 PHE 34 2HD PHE 34 1.382 -8.007 1.932 240 HE1 PHE 34 1HE PHE 34 3.043 -3.736 0.143 241 HE2 PHE 34 2HE PHE 34 2.764 -7.983 -0.104 242 HZ PHE 34 HZ PHE 34 3.596 -5.846 -1.001 243 H GLU 35 H GLU 35 -1.767 -5.615 5.380 244 HA GLU 35 HA GLU 35 -1.237 -7.609 7.224 245 1HB GLU 35 2HB GLU 35 -3.275 -5.431 7.062 246 2HB GLU 35 1HB GLU 35 -3.423 -6.633 8.337 247 1HG GLU 35 2HG GLU 35 -0.751 -5.869 8.392 248 2HG GLU 35 1HG GLU 35 -1.647 -4.374 8.128 249 H VAL 36 H VAL 36 -3.798 -7.394 4.865 250 HA VAL 36 HA VAL 36 -5.148 -9.734 5.981 251 HB VAL 36 HB VAL 36 -5.942 -8.131 3.552 252 1HG1 VAL 36 1HG1 VAL 36 -8.177 -9.097 4.032 253 2HG1 VAL 36 2HG1 VAL 36 -7.438 -10.083 5.294 254 3HG1 VAL 36 3HG1 VAL 36 -6.964 -10.306 3.610 255 1HG2 VAL 36 1HG2 VAL 36 -5.886 -7.220 6.183 256 2HG2 VAL 36 2HG2 VAL 36 -7.564 -7.682 5.902 257 3HG2 VAL 36 3HG2 VAL 36 -6.780 -6.516 4.837 258 H MET 37 H MET 37 -3.426 -8.694 3.077 259 HA MET 37 HA MET 37 -3.826 -10.970 1.511 260 1HB MET 37 2HB MET 37 -2.215 -8.611 1.408 261 2HB MET 37 1HB MET 37 -1.206 -9.994 1.008 262 1HG MET 37 2HG MET 37 -3.838 -9.906 -0.306 263 2HG MET 37 1HG MET 37 -2.695 -8.649 -0.776 264 1HE MET 37 1HE MET 37 -3.921 -12.125 -1.677 265 2HE MET 37 2HE MET 37 -3.101 -12.449 -0.151 266 3HE MET 37 3HE MET 37 -2.469 -13.124 -1.653 267 H THR 38 H THR 38 -1.449 -10.297 4.024 268 HA THR 38 HA THR 38 -1.079 -12.965 4.733 269 HB THR 38 HB THR 38 1.498 -12.769 3.803 270 HG1 THR 38 1HG THR 38 1.235 -12.266 1.569 271 1HG2 THR 38 1HG2 THR 38 0.844 -14.828 3.307 272 2HG2 THR 38 2HG2 THR 38 0.263 -14.156 1.783 273 3HG2 THR 38 3HG2 THR 38 -0.844 -14.343 3.143 274 H ASP 39 H ASP 39 1.399 -13.110 5.748 275 HA ASP 39 HA ASP 39 1.893 -10.611 7.196 276 1HB ASP 39 2HB ASP 39 0.683 -12.967 8.312 277 2HB ASP 39 1HB ASP 39 2.251 -12.704 9.068 278 H THR 40 H THR 40 4.004 -10.333 7.929 279 HA THR 40 HA THR 40 6.036 -11.483 6.393 280 HB THR 40 HB THR 40 6.757 -9.483 7.243 281 HG1 THR 40 1HG THR 40 7.690 -10.957 9.448 282 1HG2 THR 40 1HG2 THR 40 5.375 -10.204 9.807 283 2HG2 THR 40 2HG2 THR 40 5.066 -8.844 8.728 284 3HG2 THR 40 3HG2 THR 40 6.532 -8.877 9.707 285 H SER 41 H SER 41 4.881 -12.259 9.633 286 HA SER 41 HA SER 41 5.068 -14.137 10.895 287 1HB SER 41 2HB SER 41 4.639 -15.308 8.722 288 2HB SER 41 1HB SER 41 6.383 -15.424 8.494 289 HG SER 41 HG SER 41 4.759 -16.664 10.435 290 H LEU 42 H LEU 42 8.028 -14.091 8.870 291 HA LEU 42 HA LEU 42 9.613 -13.571 11.246 292 1HB LEU 42 2HB LEU 42 11.169 -15.501 10.604 293 2HB LEU 42 1HB LEU 42 9.693 -15.879 11.467 294 HG LEU 42 HG LEU 42 10.348 -17.419 9.552 295 1HD1 LEU 42 1HD1 LEU 42 8.250 -18.062 9.803 296 2HD1 LEU 42 2HD1 LEU 42 7.729 -16.799 8.690 297 3HD1 LEU 42 3HD1 LEU 42 7.816 -16.470 10.421 298 1HD2 LEU 42 1HD2 LEU 42 9.180 -15.257 7.820 299 2HD2 LEU 42 2HD2 LEU 42 9.930 -16.775 7.324 300 3HD2 LEU 42 3HD2 LEU 42 10.917 -15.490 8.019 301 H VAL 43 H VAL 43 9.069 -12.074 8.857 302 HA VAL 43 HA VAL 43 11.537 -12.206 7.313 303 HB VAL 43 HB VAL 43 9.304 -10.209 6.969 304 1HG1 VAL 43 1HG1 VAL 43 11.684 -11.045 5.381 305 2HG1 VAL 43 2HG1 VAL 43 11.057 -9.430 5.707 306 3HG1 VAL 43 3HG1 VAL 43 10.243 -10.473 4.539 307 1HG2 VAL 43 1HG2 VAL 43 7.985 -11.915 6.388 308 2HG2 VAL 43 2HG2 VAL 43 9.323 -13.062 6.412 309 3HG2 VAL 43 3HG2 VAL 43 9.017 -12.095 4.969 310 H GLU 44 H GLU 44 13.267 -11.201 8.070 311 HA GLU 44 HA GLU 44 12.976 -8.907 9.853 312 1HB GLU 44 2HB GLU 44 15.169 -10.816 9.190 313 2HB GLU 44 1HB GLU 44 15.587 -9.246 9.856 314 1HG GLU 44 2HG GLU 44 13.690 -11.188 11.151 315 2HG GLU 44 1HG GLU 44 15.402 -11.050 11.547 316 H ALA 45 H ALA 45 12.703 -8.986 6.774 317 HA ALA 45 HA ALA 45 12.924 -7.362 5.172 318 1HB ALA 45 1HB ALA 45 14.949 -5.895 6.822 319 2HB ALA 45 2HB ALA 45 13.230 -5.805 7.203 320 3HB ALA 45 3HB ALA 45 13.814 -5.262 5.631 321 H ALA 46 H ALA 46 13.941 -9.252 4.164 322 HA ALA 46 HA ALA 46 16.806 -9.431 4.123 323 1HB ALA 46 1HB ALA 46 15.398 -11.425 3.908 324 2HB ALA 46 2HB ALA 46 16.467 -11.230 2.519 325 3HB ALA 46 3HB ALA 46 14.759 -10.804 2.384 326 H GLU 47 H GLU 47 14.296 -8.389 1.865 327 HA GLU 47 HA GLU 47 16.389 -7.189 0.174 328 1HB GLU 47 2HB GLU 47 13.583 -7.788 -0.712 329 2HB GLU 47 1HB GLU 47 14.996 -7.486 -1.705 330 1HG GLU 47 2HG GLU 47 14.910 -9.862 0.102 331 2HG GLU 47 1HG GLU 47 14.087 -9.894 -1.451 332 H GLU 48 H GLU 48 15.523 -5.277 -1.119 333 HA GLU 48 HA GLU 48 13.585 -3.696 0.376 334 1HB GLU 48 2HB GLU 48 15.805 -3.102 1.291 335 2HB GLU 48 1HB GLU 48 16.343 -2.669 -0.326 336 1HG GLU 48 2HG GLU 48 14.081 -1.166 -0.059 337 2HG GLU 48 1HG GLU 48 14.724 -1.169 1.582 338 H ARG 49 H ARG 49 12.420 -2.273 -0.863 339 HA ARG 49 HA ARG 49 13.193 -1.948 -3.674 340 1HB ARG 49 2HB ARG 49 10.765 -2.307 -4.288 341 2HB ARG 49 1HB ARG 49 11.653 -3.746 -3.807 342 1HG ARG 49 2HG ARG 49 10.300 -4.132 -2.084 343 2HG ARG 49 1HG ARG 49 10.350 -2.448 -1.561 344 1HD ARG 49 2HD ARG 49 8.245 -2.260 -2.255 345 2HD ARG 49 1HD ARG 49 8.841 -2.426 -3.905 346 HE ARG 49 HE ARG 49 8.590 -4.987 -3.096 347 1HH1 ARG 49 1HH1 ARG 49 6.413 -2.260 -3.036 348 2HH1 ARG 49 2HH1 ARG 49 4.990 -3.234 -3.190 349 1HH2 ARG 49 1HH2 ARG 49 6.720 -6.269 -3.299 350 2HH2 ARG 49 2HH2 ARG 49 5.164 -5.510 -3.338 351 H ARG 50 H ARG 50 13.148 0.118 -4.231 352 HA ARG 50 HA ARG 50 11.518 1.972 -2.633 353 1HB ARG 50 2HB ARG 50 13.072 3.706 -3.758 354 2HB ARG 50 1HB ARG 50 13.725 2.703 -2.471 355 1HG ARG 50 2HG ARG 50 14.786 1.255 -4.094 356 2HG ARG 50 1HG ARG 50 14.072 2.182 -5.416 357 1HD ARG 50 2HD ARG 50 16.116 3.123 -3.410 358 2HD ARG 50 1HD ARG 50 16.348 2.880 -5.140 359 HE ARG 50 HE ARG 50 15.259 4.880 -5.558 360 1HH1 ARG 50 1HH1 ARG 50 15.091 4.102 -2.155 361 2HH1 ARG 50 2HH1 ARG 50 14.561 5.684 -1.696 362 1HH2 ARG 50 1HH2 ARG 50 14.561 6.958 -4.950 363 2HH2 ARG 50 2HH2 ARG 50 14.259 7.303 -3.280 364 H VAL 51 H VAL 51 10.128 3.413 -3.605 365 HA VAL 51 HA VAL 51 9.783 3.171 -6.518 366 HB VAL 51 HB VAL 51 7.499 3.330 -4.548 367 1HG1 VAL 51 1HG1 VAL 51 6.513 4.108 -6.424 368 2HG1 VAL 51 2HG1 VAL 51 6.441 2.395 -6.839 369 3HG1 VAL 51 3HG1 VAL 51 7.733 3.404 -7.487 370 1HG2 VAL 51 1HG2 VAL 51 8.876 1.169 -4.552 371 2HG2 VAL 51 2HG2 VAL 51 8.219 0.906 -6.167 372 3HG2 VAL 51 3HG2 VAL 51 7.134 1.031 -4.782 373 H GLU 52 H GLU 52 9.061 5.011 -7.591 374 HA GLU 52 HA GLU 52 8.869 7.464 -5.978 375 1HB GLU 52 2HB GLU 52 9.860 8.447 -8.282 376 2HB GLU 52 1HB GLU 52 10.870 7.987 -6.921 377 1HG GLU 52 2HG GLU 52 11.654 6.110 -7.952 378 2HG GLU 52 1HG GLU 52 10.214 5.921 -8.949 379 H ILE 53 H ILE 53 7.189 8.763 -6.438 380 HA ILE 53 HA ILE 53 5.709 8.284 -8.926 381 HB ILE 53 HB ILE 53 3.984 8.736 -6.598 382 1HG1 ILE 53 2HG1 ILE 53 5.384 6.067 -6.899 383 2HG1 ILE 53 1HG1 ILE 53 5.694 7.222 -5.606 384 1HG2 ILE 53 1HG2 ILE 53 2.672 6.998 -7.729 385 2HG2 ILE 53 2HG2 ILE 53 4.000 6.763 -8.868 386 3HG2 ILE 53 3HG2 ILE 53 3.141 8.306 -8.817 387 1HD1 ILE 53 1HD1 ILE 53 3.412 5.400 -6.024 388 2HD1 ILE 53 2HD1 ILE 53 3.068 6.970 -5.300 389 3HD1 ILE 53 3HD1 ILE 53 4.227 5.881 -4.537 390 H THR 54 H THR 54 4.475 10.023 -9.694 391 HA THR 54 HA THR 54 4.799 12.533 -8.183 392 HB THR 54 HB THR 54 5.187 13.753 -10.171 393 HG1 THR 54 1HG THR 54 4.900 12.888 -12.206 394 1HG2 THR 54 1HG2 THR 54 6.789 11.769 -11.365 395 2HG2 THR 54 2HG2 THR 54 6.862 11.527 -9.620 396 3HG2 THR 54 3HG2 THR 54 7.285 13.094 -10.312 397 H SER 55 H SER 55 2.896 13.124 -7.433 398 HA SER 55 HA SER 55 0.543 12.919 -9.188 399 1HB SER 55 2HB SER 55 -0.551 11.737 -7.630 400 2HB SER 55 1HB SER 55 0.894 11.735 -6.628 401 HG SER 55 HG SER 55 0.184 13.732 -5.751 402 H GLU 56 H GLU 56 -1.160 14.592 -8.632 403 HA GLU 56 HA GLU 56 -0.009 16.970 -7.376 404 1HB GLU 56 2HB GLU 56 -1.412 17.195 -10.031 405 2HB GLU 56 1HB GLU 56 -0.446 18.407 -9.199 406 1HG GLU 56 2HG GLU 56 1.487 16.711 -9.495 407 2HG GLU 56 1HG GLU 56 0.445 16.009 -10.732 408 H ASP 57 H ASP 57 -1.758 15.644 -5.977 409 HA ASP 57 HA ASP 57 -3.888 17.413 -5.580 410 1HB ASP 57 2HB ASP 57 -4.439 15.944 -7.778 411 2HB ASP 57 1HB ASP 57 -5.130 14.903 -6.535 412 H ARG 58 H ARG 58 -1.884 15.554 -4.238 413 HA ARG 58 HA ARG 58 -1.714 14.397 -2.282 414 1HB ARG 58 2HB ARG 58 -4.484 15.544 -1.893 415 2HB ARG 58 1HB ARG 58 -3.596 14.684 -0.643 416 1HG ARG 58 2HG ARG 58 -2.084 16.862 -1.865 417 2HG ARG 58 1HG ARG 58 -3.559 17.383 -1.050 418 1HD ARG 58 2HD ARG 58 -2.466 17.262 0.880 419 2HD ARG 58 1HD ARG 58 -2.365 15.515 0.663 420 HE ARG 58 HE ARG 58 -0.150 15.740 0.119 421 1HH1 ARG 58 1HH1 ARG 58 -1.669 18.882 0.026 422 2HH1 ARG 58 2HH1 ARG 58 -0.175 19.736 -0.155 423 1HH2 ARG 58 1HH2 ARG 58 1.817 16.865 -0.118 424 2HH2 ARG 58 2HH2 ARG 58 1.805 18.593 -0.237 425 H VAL 59 H VAL 59 -5.200 13.956 -2.878 426 HA VAL 59 HA VAL 59 -5.294 11.273 -2.191 427 HB VAL 59 HB VAL 59 -7.414 11.143 -3.406 428 1HG1 VAL 59 1HG1 VAL 59 -6.920 12.608 -1.220 429 2HG1 VAL 59 2HG1 VAL 59 -8.530 12.437 -1.920 430 3HG1 VAL 59 3HG1 VAL 59 -7.563 13.869 -2.272 431 1HG2 VAL 59 1HG2 VAL 59 -6.962 12.292 -5.429 432 2HG2 VAL 59 2HG2 VAL 59 -6.531 13.773 -4.575 433 3HG2 VAL 59 3HG2 VAL 59 -8.206 13.224 -4.598 434 H SER 60 H SER 60 -4.717 12.750 -5.359 435 HA SER 60 HA SER 60 -4.761 10.441 -6.925 436 1HB SER 60 2HB SER 60 -4.324 13.074 -7.443 437 2HB SER 60 1HB SER 60 -2.688 12.441 -7.618 438 HG SER 60 HG SER 60 -3.302 11.770 -9.500 439 H LEU 61 H LEU 61 -2.150 11.875 -5.015 440 HA LEU 61 HA LEU 61 -0.040 10.253 -5.800 441 1HB LEU 61 2HB LEU 61 -0.039 12.264 -4.232 442 2HB LEU 61 1HB LEU 61 -0.531 11.157 -2.969 443 HG LEU 61 HG LEU 61 1.581 9.835 -3.499 444 1HD1 LEU 61 1HD1 LEU 61 2.265 10.609 -5.588 445 2HD1 LEU 61 2HD1 LEU 61 3.381 11.392 -4.470 446 3HD1 LEU 61 3HD1 LEU 61 2.030 12.300 -5.143 447 1HD2 LEU 61 1HD2 LEU 61 1.278 12.390 -2.093 448 2HD2 LEU 61 2HD2 LEU 61 2.945 11.945 -2.460 449 3HD2 LEU 61 3HD2 LEU 61 1.925 10.850 -1.529 450 H LEU 62 H LEU 62 -2.696 9.657 -3.600 451 HA LEU 62 HA LEU 62 -1.711 7.179 -2.572 452 1HB LEU 62 2HB LEU 62 -3.487 8.759 -1.568 453 2HB LEU 62 1HB LEU 62 -4.605 7.995 -2.678 454 HG LEU 62 HG LEU 62 -4.998 6.753 -0.792 455 1HD1 LEU 62 1HD1 LEU 62 -4.301 5.193 -2.534 456 2HD1 LEU 62 2HD1 LEU 62 -3.846 4.598 -0.938 457 3HD1 LEU 62 3HD1 LEU 62 -2.625 5.315 -1.991 458 1HD2 LEU 62 1HD2 LEU 62 -3.715 6.767 1.041 459 2HD2 LEU 62 2HD2 LEU 62 -2.763 7.979 0.184 460 3HD2 LEU 62 3HD2 LEU 62 -2.268 6.287 0.155 461 H TYR 63 H TYR 63 -4.131 8.064 -5.016 462 HA TYR 63 HA TYR 63 -4.952 5.521 -5.755 463 1HB TYR 63 2HB TYR 63 -6.069 7.572 -6.505 464 2HB TYR 63 1HB TYR 63 -4.681 7.966 -7.515 465 HD1 TYR 63 1HD TYR 63 -4.096 6.377 -9.414 466 HD2 TYR 63 2HD TYR 63 -7.795 6.203 -7.318 467 HE1 TYR 63 1HE TYR 63 -5.084 5.107 -11.274 468 HE2 TYR 63 2HE TYR 63 -8.792 4.932 -9.171 469 HH TYR 63 HH TYR 63 -8.422 4.588 -11.577 470 H ASP 64 H ASP 64 -2.162 7.381 -6.848 471 HA ASP 64 HA ASP 64 -1.399 5.319 -8.737 472 1HB ASP 64 2HB ASP 64 -0.961 8.056 -8.586 473 2HB ASP 64 1HB ASP 64 0.613 7.361 -8.209 474 H TRP 65 H TRP 65 -0.878 5.982 -5.436 475 HA TRP 65 HA TRP 65 1.744 4.904 -5.216 476 1HB TRP 65 2HB TRP 65 0.902 6.421 -3.520 477 2HB TRP 65 1HB TRP 65 -0.395 5.301 -3.126 478 HD1 TRP 65 HD TRP 65 0.464 5.200 -0.591 479 HE1 TRP 65 1HE TRP 65 2.386 3.901 0.513 480 HE3 TRP 65 3HE TRP 65 3.138 3.939 -4.777 481 HZ2 TRP 65 2HZ TRP 65 4.715 2.527 -0.268 482 HZ3 TRP 65 3HZ TRP 65 5.199 2.635 -4.503 483 HH2 TRP 65 HH TRP 65 5.972 1.941 -2.294 484 H LEU 66 H LEU 66 -1.461 3.592 -4.389 485 HA LEU 66 HA LEU 66 -0.436 1.007 -3.782 486 1HB LEU 66 2HB LEU 66 -2.890 2.354 -3.520 487 2HB LEU 66 1HB LEU 66 -3.221 0.956 -4.525 488 HG LEU 66 HG LEU 66 -2.096 0.978 -1.726 489 1HD1 LEU 66 1HD1 LEU 66 -4.557 1.213 -2.060 490 2HD1 LEU 66 2HD1 LEU 66 -4.073 -0.215 -1.147 491 3HD1 LEU 66 3HD1 LEU 66 -4.547 -0.367 -2.839 492 1HD2 LEU 66 1HD2 LEU 66 -0.889 -0.790 -2.470 493 2HD2 LEU 66 2HD2 LEU 66 -1.955 -1.085 -3.843 494 3HD2 LEU 66 3HD2 LEU 66 -2.421 -1.628 -2.231 495 H ASP 67 H ASP 67 -2.002 2.405 -6.645 496 HA ASP 67 HA ASP 67 -2.331 0.127 -8.174 497 1HB ASP 67 2HB ASP 67 -2.378 2.919 -8.631 498 2HB ASP 67 1HB ASP 67 -1.297 2.239 -9.845 499 H GLU 68 H GLU 68 0.570 1.911 -7.419 500 HA GLU 68 HA GLU 68 2.284 0.650 -9.296 501 1HB GLU 68 2HB GLU 68 2.508 2.724 -7.470 502 2HB GLU 68 1HB GLU 68 3.557 1.484 -6.800 503 1HG GLU 68 2HG GLU 68 4.858 2.914 -8.199 504 2HG GLU 68 1HG GLU 68 4.709 1.345 -8.988 505 H LEU 69 H LEU 69 1.312 -0.017 -5.987 506 HA LEU 69 HA LEU 69 3.103 -2.145 -5.497 507 1HB LEU 69 2HB LEU 69 0.656 -1.060 -4.238 508 2HB LEU 69 1HB LEU 69 1.021 -2.738 -3.884 509 HG LEU 69 HG LEU 69 3.399 -1.809 -3.300 510 1HD1 LEU 69 1HD1 LEU 69 3.653 0.398 -2.915 511 2HD1 LEU 69 2HD1 LEU 69 1.982 0.611 -2.394 512 3HD1 LEU 69 3HD1 LEU 69 2.366 0.532 -4.113 513 1HD2 LEU 69 1HD2 LEU 69 0.890 -1.802 -1.700 514 2HD2 LEU 69 2HD2 LEU 69 2.357 -1.139 -0.978 515 3HD2 LEU 69 3HD2 LEU 69 2.328 -2.810 -1.542 516 H LEU 70 H LEU 70 -0.016 -1.929 -7.053 517 HA LEU 70 HA LEU 70 -0.847 -4.563 -7.019 518 1HB LEU 70 2HB LEU 70 -1.430 -2.186 -8.539 519 2HB LEU 70 1HB LEU 70 -1.466 -3.594 -9.583 520 HG LEU 70 HG LEU 70 -2.902 -4.033 -7.084 521 1HD1 LEU 70 1HD1 LEU 70 -3.887 -1.864 -8.930 522 2HD1 LEU 70 2HD1 LEU 70 -3.343 -1.644 -7.268 523 3HD1 LEU 70 3HD1 LEU 70 -4.796 -2.586 -7.603 524 1HD2 LEU 70 1HD2 LEU 70 -4.697 -4.424 -9.013 525 2HD2 LEU 70 2HD2 LEU 70 -3.439 -5.601 -8.635 526 3HD2 LEU 70 3HD2 LEU 70 -3.232 -4.492 -9.991 527 H PHE 71 H PHE 71 1.182 -2.974 -9.482 528 HA PHE 71 HA PHE 71 1.687 -5.389 -10.910 529 1HB PHE 71 2HB PHE 71 3.253 -2.801 -10.980 530 2HB PHE 71 1HB PHE 71 3.289 -4.079 -12.190 531 HD1 PHE 71 1HD PHE 71 2.229 -0.924 -11.791 532 HD2 PHE 71 2HD PHE 71 0.613 -4.736 -12.777 533 HE1 PHE 71 1HE PHE 71 0.387 0.173 -12.997 534 HE2 PHE 71 2HE PHE 71 -1.231 -3.645 -13.986 535 HZ PHE 71 HZ PHE 71 -1.345 -1.188 -14.097 536 H ILE 72 H ILE 72 3.522 -3.482 -8.561 537 HA ILE 72 HA ILE 72 5.892 -4.962 -8.604 538 HB ILE 72 HB ILE 72 4.694 -3.506 -6.243 539 1HG1 ILE 72 2HG1 ILE 72 6.810 -2.366 -8.025 540 2HG1 ILE 72 1HG1 ILE 72 5.132 -2.310 -8.555 541 1HG2 ILE 72 1HG2 ILE 72 7.009 -3.322 -5.462 542 2HG2 ILE 72 2HG2 ILE 72 7.546 -4.293 -6.833 543 3HG2 ILE 72 3HG2 ILE 72 6.503 -5.006 -5.602 544 1HD1 ILE 72 1HD1 ILE 72 6.516 -0.722 -6.556 545 2HD1 ILE 72 2HD1 ILE 72 4.983 -1.379 -5.983 546 3HD1 ILE 72 3HD1 ILE 72 5.028 -0.390 -7.442 547 H HIS 73 H HIS 73 2.865 -5.510 -6.900 548 HA HIS 73 HA HIS 73 3.613 -7.341 -4.987 549 1HB HIS 73 2HB HIS 73 1.214 -6.416 -6.000 550 2HB HIS 73 1HB HIS 73 1.161 -8.136 -6.372 551 HD1 HIS 73 1HD HIS 73 -0.871 -7.309 -4.419 552 HD2 HIS 73 2HD HIS 73 2.999 -8.253 -3.240 553 HE1 HIS 73 1HE HIS 73 -1.037 -7.900 -1.981 554 HE2 HIS 73 2HE HIS 73 1.299 -8.569 -1.317 555 H ASP 74 H ASP 74 2.663 -8.100 -8.352 556 HA ASP 74 HA ASP 74 3.397 -10.854 -8.056 557 1HB ASP 74 2HB ASP 74 1.679 -9.887 -9.711 558 2HB ASP 74 1HB ASP 74 3.066 -9.416 -10.690 559 H THR 75 H THR 75 4.976 -7.949 -9.162 560 HA THR 75 HA THR 75 7.188 -9.212 -10.388 561 HB THR 75 HB THR 75 7.064 -6.511 -9.022 562 HG1 THR 75 1HG THR 75 6.541 -5.717 -11.026 563 1HG2 THR 75 1HG2 THR 75 9.129 -6.084 -9.684 564 2HG2 THR 75 2HG2 THR 75 8.799 -6.678 -11.312 565 3HG2 THR 75 3HG2 THR 75 9.296 -7.802 -10.046 566 H GLU 76 H GLU 76 6.161 -8.870 -7.171 567 HA GLU 76 HA GLU 76 8.281 -10.466 -6.216 568 1HB GLU 76 2HB GLU 76 8.466 -7.559 -5.878 569 2HB GLU 76 1HB GLU 76 8.614 -8.453 -4.372 570 1HG GLU 76 2HG GLU 76 10.619 -9.312 -4.919 571 2HG GLU 76 1HG GLU 76 10.211 -9.468 -6.626 572 H PHE 77 H PHE 77 6.210 -11.552 -5.949 573 HA PHE 77 HA PHE 77 4.246 -10.722 -4.138 574 1HB PHE 77 2HB PHE 77 4.068 -13.395 -3.849 575 2HB PHE 77 1HB PHE 77 3.422 -12.532 -5.233 576 HD1 PHE 77 1HD PHE 77 6.127 -14.677 -4.030 577 HD2 PHE 77 2HD PHE 77 4.407 -12.752 -7.407 578 HE1 PHE 77 1HE PHE 77 7.521 -16.057 -5.520 579 HE2 PHE 77 2HE PHE 77 5.795 -14.124 -8.905 580 HZ PHE 77 HZ PHE 77 7.355 -15.781 -7.961 581 H ILE 78 H ILE 78 5.118 -9.851 -2.302 582 HA ILE 78 HA ILE 78 6.581 -11.705 -0.541 583 HB ILE 78 HB ILE 78 7.472 -9.750 0.616 584 1HG1 ILE 78 2HG1 ILE 78 6.868 -7.697 -1.291 585 2HG1 ILE 78 1HG1 ILE 78 5.357 -8.400 -0.723 586 1HG2 ILE 78 1HG2 ILE 78 8.768 -10.664 -1.200 587 2HG2 ILE 78 2HG2 ILE 78 8.923 -8.907 -1.200 588 3HG2 ILE 78 3HG2 ILE 78 7.871 -9.699 -2.370 589 1HD1 ILE 78 1HD1 ILE 78 6.816 -8.063 1.588 590 2HD1 ILE 78 2HD1 ILE 78 5.529 -7.013 0.997 591 3HD1 ILE 78 3HD1 ILE 78 7.212 -6.638 0.629 592 H LEU 79 H LEU 79 5.826 -12.128 1.475 593 HA LEU 79 HA LEU 79 3.126 -11.874 2.050 594 1HB LEU 79 2HB LEU 79 5.415 -12.249 3.983 595 2HB LEU 79 1HB LEU 79 3.725 -12.527 4.359 596 HG LEU 79 HG LEU 79 5.285 -14.041 2.264 597 1HD1 LEU 79 1HD1 LEU 79 6.115 -14.496 4.520 598 2HD1 LEU 79 2HD1 LEU 79 5.276 -15.891 3.842 599 3HD1 LEU 79 3HD1 LEU 79 4.475 -14.879 5.044 600 1HD2 LEU 79 1HD2 LEU 79 3.396 -15.137 1.736 601 2HD2 LEU 79 2HD2 LEU 79 2.598 -13.708 2.392 602 3HD2 LEU 79 3HD2 LEU 79 2.810 -15.139 3.399 603 H PHE 80 H PHE 80 5.361 -10.438 4.382 604 HA PHE 80 HA PHE 80 3.856 -7.919 4.174 605 1HB PHE 80 2HB PHE 80 3.375 -9.474 6.221 606 2HB PHE 80 1HB PHE 80 4.919 -8.867 6.809 607 HD1 PHE 80 1HD PHE 80 5.101 -6.732 7.771 608 HD2 PHE 80 2HD PHE 80 1.533 -7.848 5.737 609 HE1 PHE 80 1HE PHE 80 3.982 -4.718 8.636 610 HE2 PHE 80 2HE PHE 80 0.408 -5.836 6.598 611 HZ PHE 80 HZ PHE 80 1.633 -4.267 8.049 612 H SER 81 H SER 81 5.015 -6.022 4.845 613 HA SER 81 HA SER 81 7.870 -6.232 5.253 614 1HB SER 81 2HB SER 81 8.123 -6.314 2.972 615 2HB SER 81 1HB SER 81 6.654 -5.390 2.665 616 HG SER 81 HG SER 81 7.729 -3.522 3.172 617 H LYS 82 H LYS 82 8.893 -4.072 5.541 618 HA LYS 82 HA LYS 82 7.171 -2.425 7.165 619 1HB LYS 82 2HB LYS 82 9.757 -3.057 7.415 620 2HB LYS 82 1HB LYS 82 9.945 -1.568 6.500 621 1HG LYS 82 2HG LYS 82 9.107 -0.258 8.193 622 2HG LYS 82 1HG LYS 82 8.200 -1.589 8.917 623 1HD LYS 82 2HD LYS 82 11.208 -1.503 8.869 624 2HD LYS 82 1HD LYS 82 10.255 -0.808 10.181 625 1HE LYS 82 2HE LYS 82 10.151 -3.683 9.277 626 2HE LYS 82 1HE LYS 82 11.026 -3.090 10.687 627 1HZ LYS 82 1HZ LYS 82 8.859 -2.273 11.544 628 2HZ LYS 82 2HZ LYS 82 8.949 -3.956 11.410 629 3HZ LYS 82 3HZ LYS 82 8.090 -3.062 10.260 630 H PHE 83 H PHE 83 6.425 -0.425 6.727 631 HA PHE 83 HA PHE 83 6.710 0.510 3.948 632 1HB PHE 83 2HB PHE 83 4.588 1.205 5.983 633 2HB PHE 83 1HB PHE 83 4.571 1.566 4.266 634 HD1 PHE 83 1HD PHE 83 3.587 -0.726 6.769 635 HD2 PHE 83 2HD PHE 83 4.620 -0.439 2.651 636 HE1 PHE 83 1HE PHE 83 2.430 -2.852 6.333 637 HE2 PHE 83 2HE PHE 83 3.464 -2.566 2.208 638 HZ PHE 83 HZ PHE 83 2.366 -3.774 4.051 639 H LYS 84 H LYS 84 7.805 2.190 3.513 640 HA LYS 84 HA LYS 84 7.984 4.410 5.413 641 1HB LYS 84 2HB LYS 84 10.181 4.058 5.701 642 2HB LYS 84 1HB LYS 84 10.151 2.715 4.570 643 1HG LYS 84 2HG LYS 84 10.843 4.010 2.807 644 2HG LYS 84 1HG LYS 84 10.256 5.506 3.529 645 1HD LYS 84 2HD LYS 84 12.411 5.863 4.051 646 2HD LYS 84 1HD LYS 84 12.118 4.711 5.354 647 1HE LYS 84 2HE LYS 84 12.682 3.031 3.311 648 2HE LYS 84 1HE LYS 84 13.677 4.418 2.875 649 1HZ LYS 84 1HZ LYS 84 15.117 3.351 4.233 650 2HZ LYS 84 2HZ LYS 84 13.906 2.610 5.152 651 3HZ LYS 84 3HZ LYS 84 14.298 4.233 5.423 652 H VAL 85 H VAL 85 7.340 6.261 4.455 653 HA VAL 85 HA VAL 85 7.460 6.367 1.520 654 HB VAL 85 HB VAL 85 5.243 6.158 1.612 655 1HG1 VAL 85 1HG1 VAL 85 4.988 7.532 4.267 656 2HG1 VAL 85 2HG1 VAL 85 5.394 5.822 4.131 657 3HG1 VAL 85 3HG1 VAL 85 3.868 6.420 3.488 658 1HG2 VAL 85 1HG2 VAL 85 5.327 9.025 2.479 659 2HG2 VAL 85 2HG2 VAL 85 4.034 8.212 1.601 660 3HG2 VAL 85 3HG2 VAL 85 5.604 8.456 0.835 661 H LYS 86 H LYS 86 7.639 8.299 0.529 662 HA LYS 86 HA LYS 86 8.599 10.550 2.158 663 1HB LYS 86 2HB LYS 86 10.194 8.935 0.698 664 2HB LYS 86 1HB LYS 86 9.710 10.065 -0.552 665 1HG LYS 86 2HG LYS 86 11.441 11.294 0.143 666 2HG LYS 86 1HG LYS 86 10.390 11.756 1.483 667 1HD LYS 86 2HD LYS 86 11.330 10.069 2.893 668 2HD LYS 86 1HD LYS 86 12.223 9.364 1.545 669 1HE LYS 86 2HE LYS 86 13.946 10.661 2.079 670 2HE LYS 86 1HE LYS 86 12.975 12.064 1.641 671 1HZ LYS 86 1HZ LYS 86 12.074 11.577 4.097 672 2HZ LYS 86 2HZ LYS 86 13.361 12.625 3.768 673 3HZ LYS 86 3HZ LYS 86 13.669 11.037 4.263 674 H ILE 87 H ILE 87 7.914 12.588 1.481 675 HA ILE 87 HA ILE 87 6.374 12.681 -1.029 676 HB ILE 87 HB ILE 87 5.634 14.258 1.438 677 1HG1 ILE 87 2HG1 ILE 87 4.452 11.710 0.312 678 2HG1 ILE 87 1HG1 ILE 87 5.135 11.949 1.916 679 1HG2 ILE 87 1HG2 ILE 87 3.557 14.677 0.121 680 2HG2 ILE 87 2HG2 ILE 87 4.332 13.885 -1.252 681 3HG2 ILE 87 3HG2 ILE 87 5.015 15.371 -0.590 682 1HD1 ILE 87 1HD1 ILE 87 2.595 13.179 0.856 683 2HD1 ILE 87 2HD1 ILE 87 3.286 13.482 2.452 684 3HD1 ILE 87 3HD1 ILE 87 2.721 11.867 2.028 685 H ASP 88 H ASP 88 7.139 14.114 -2.423 686 HA ASP 88 HA ASP 88 8.524 16.493 -1.398 687 1HB ASP 88 2HB ASP 88 9.492 14.601 -3.542 688 2HB ASP 88 1HB ASP 88 10.145 16.224 -3.323 689 H GLU 89 H GLU 89 7.670 18.298 -2.201 690 HA GLU 89 HA GLU 89 6.028 18.131 -4.629 691 1HB GLU 89 2HB GLU 89 5.321 20.452 -3.973 692 2HB GLU 89 1HB GLU 89 4.910 19.210 -2.798 693 1HG GLU 89 2HG GLU 89 6.172 20.131 -1.208 694 2HG GLU 89 1HG GLU 89 7.504 20.452 -2.318 695 H LYS 90 H LYS 90 6.974 18.480 -6.434 696 HA LYS 90 HA LYS 90 9.109 20.510 -6.574 697 1HB LYS 90 2HB LYS 90 9.329 18.746 -8.792 698 2HB LYS 90 1HB LYS 90 10.467 18.982 -7.475 699 1HG LYS 90 2HG LYS 90 10.034 16.686 -7.508 700 2HG LYS 90 1HG LYS 90 9.070 17.310 -6.168 701 1HD LYS 90 2HD LYS 90 7.317 16.293 -7.098 702 2HD LYS 90 1HD LYS 90 7.391 17.514 -8.370 703 1HE LYS 90 2HE LYS 90 8.753 14.822 -8.378 704 2HE LYS 90 1HE LYS 90 7.352 15.290 -9.340 705 1HZ LYS 90 1HZ LYS 90 9.015 15.614 -10.840 706 2HZ LYS 90 2HZ LYS 90 10.166 16.031 -9.673 707 3HZ LYS 90 3HZ LYS 90 8.990 17.154 -10.136 708 H ASP 91 H ASP 91 9.383 20.726 -9.270 709 HA ASP 91 HA ASP 91 7.246 22.422 -9.967 710 1HB ASP 91 2HB ASP 91 9.543 21.262 -11.525 711 2HB ASP 91 1HB ASP 91 8.355 22.322 -12.277 712 H ASP 92 H ASP 92 6.919 19.252 -9.648 713 HA ASP 92 HA ASP 92 5.125 19.027 -11.975 714 1HB ASP 92 2HB ASP 92 7.134 17.120 -10.895 715 2HB ASP 92 1HB ASP 92 5.601 16.436 -11.426 716 H GLY 93 H GLY 93 4.416 20.135 -9.510 717 1HA GLY 93 2HA GLY 93 2.523 20.020 -8.179 718 2HA GLY 93 1HA GLY 93 2.217 18.405 -8.805 719 H LEU 94 H LEU 94 2.773 16.677 -7.620 720 HA LEU 94 HA LEU 94 4.509 17.075 -5.304 721 1HB LEU 94 2HB LEU 94 2.877 16.815 -3.825 722 2HB LEU 94 1HB LEU 94 1.729 16.891 -5.145 723 HG LEU 94 HG LEU 94 1.980 14.386 -5.358 724 1HD1 LEU 94 1HD1 LEU 94 4.003 14.881 -3.435 725 2HD1 LEU 94 2HD1 LEU 94 3.523 13.349 -4.164 726 3HD1 LEU 94 3HD1 LEU 94 2.750 13.893 -2.676 727 1HD2 LEU 94 1HD2 LEU 94 0.859 15.608 -2.842 728 2HD2 LEU 94 2HD2 LEU 94 0.546 13.951 -3.357 729 3HD2 LEU 94 3HD2 LEU 94 0.013 15.301 -4.358 730 H HIS 95 H HIS 95 5.653 15.234 -4.619 731 HA HIS 95 HA HIS 95 5.441 12.870 -6.376 732 1HB HIS 95 2HB HIS 95 7.391 14.341 -6.938 733 2HB HIS 95 1HB HIS 95 8.020 14.048 -5.321 734 HD1 HIS 95 1HD HIS 95 8.256 11.278 -4.839 735 HD2 HIS 95 2HD HIS 95 8.455 12.667 -8.750 736 HE1 HIS 95 1HE HIS 95 9.409 9.462 -6.139 737 HE2 HIS 95 2HE HIS 95 9.628 10.380 -8.476 738 H LEU 96 H LEU 96 5.780 10.865 -5.447 739 HA LEU 96 HA LEU 96 6.107 10.830 -2.525 740 1HB LEU 96 2HB LEU 96 3.823 10.292 -3.104 741 2HB LEU 96 1HB LEU 96 4.360 9.065 -4.233 742 HG LEU 96 HG LEU 96 4.984 8.880 -1.296 743 1HD1 LEU 96 1HD1 LEU 96 2.982 7.285 -1.281 744 2HD1 LEU 96 2HD1 LEU 96 2.466 8.130 -2.741 745 3HD1 LEU 96 3HD1 LEU 96 2.654 9.018 -1.227 746 1HD2 LEU 96 1HD2 LEU 96 6.152 7.144 -2.078 747 2HD2 LEU 96 2HD2 LEU 96 5.379 7.228 -3.661 748 3HD2 LEU 96 3HD2 LEU 96 4.593 6.363 -2.340 749 H THR 97 H THR 97 7.540 9.420 -1.662 750 HA THR 97 HA THR 97 8.786 7.467 -3.480 751 HB THR 97 HB THR 97 10.523 8.492 -1.336 752 HG1 THR 97 1HG THR 97 11.009 10.390 -2.540 753 1HG2 THR 97 1HG2 THR 97 10.842 7.158 -3.771 754 2HG2 THR 97 2HG2 THR 97 12.098 7.698 -2.656 755 3HG2 THR 97 3HG2 THR 97 11.579 8.747 -3.976 756 H GLY 98 H GLY 98 8.486 5.503 -2.771 757 1HA GLY 98 2HA GLY 98 8.126 5.048 0.117 758 2HA GLY 98 1HA GLY 98 7.167 4.217 -1.090 759 H THR 99 H THR 99 8.875 3.173 1.050 760 HA THR 99 HA THR 99 10.675 1.519 -0.597 761 HB THR 99 HB THR 99 11.233 2.217 2.272 762 HG1 THR 99 1HG THR 99 12.757 3.764 1.263 763 1HG2 THR 99 1HG2 THR 99 13.351 1.731 0.255 764 2HG2 THR 99 2HG2 THR 99 12.426 0.347 0.839 765 3HG2 THR 99 3HG2 THR 99 13.314 1.358 1.978 766 H ALA 100 H ALA 100 10.739 -0.661 -0.144 767 HA ALA 100 HA ALA 100 9.201 -1.657 2.140 768 1HB ALA 100 1HB ALA 100 7.653 -2.791 0.956 769 2HB ALA 100 2HB ALA 100 8.778 -3.175 -0.347 770 3HB ALA 100 3HB ALA 100 8.009 -1.589 -0.284 771 H MET 101 H MET 101 10.166 -3.338 3.130 772 HA MET 101 HA MET 101 12.244 -4.824 1.666 773 1HB MET 101 2HB MET 101 12.499 -3.932 4.545 774 2HB MET 101 1HB MET 101 13.716 -4.756 3.581 775 1HG MET 101 2HG MET 101 14.508 -2.649 3.403 776 2HG MET 101 1HG MET 101 13.394 -2.628 2.038 777 1HE MET 101 1HE MET 101 13.907 0.678 3.779 778 2HE MET 101 2HE MET 101 14.897 -0.750 4.087 779 3HE MET 101 3HE MET 101 13.920 -0.057 5.382 780 H GLY 102 H GLY 102 12.679 -6.983 2.487 781 1HA GLY 102 2HA GLY 102 12.129 -8.791 3.984 782 2HA GLY 102 1HA GLY 102 10.582 -8.014 4.290 783 H GLU 103 H GLU 103 12.362 -8.962 1.374 784 HA GLU 103 HA GLU 103 9.889 -10.082 0.310 785 1HB GLU 103 2HB GLU 103 10.873 -8.505 -1.163 786 2HB GLU 103 1HB GLU 103 12.467 -9.197 -0.952 787 1HG GLU 103 2HG GLU 103 11.173 -11.318 -1.993 788 2HG GLU 103 1HG GLU 103 10.280 -9.999 -2.744 789 H GLU 104 H GLU 104 9.548 -12.176 0.456 790 HA GLU 104 HA GLU 104 11.280 -14.168 -0.408 791 1HB GLU 104 2HB GLU 104 12.238 -13.248 1.960 792 2HB GLU 104 1HB GLU 104 11.167 -14.521 2.525 793 1HG GLU 104 2HG GLU 104 12.324 -16.093 0.987 794 2HG GLU 104 1HG GLU 104 13.467 -14.805 0.609 795 H ILE 105 H ILE 105 9.179 -14.644 -1.302 796 HA ILE 105 HA ILE 105 6.994 -15.396 0.378 797 HB ILE 105 HB ILE 105 6.681 -14.606 -1.973 798 1HG1 ILE 105 2HG1 ILE 105 5.423 -17.205 -2.233 799 2HG1 ILE 105 1HG1 ILE 105 5.312 -16.623 -0.575 800 1HG2 ILE 105 1HG2 ILE 105 7.815 -15.528 -3.643 801 2HG2 ILE 105 2HG2 ILE 105 7.032 -17.080 -3.335 802 3HG2 ILE 105 3HG2 ILE 105 8.543 -16.675 -2.522 803 1HD1 ILE 105 1HD1 ILE 105 3.631 -15.321 -1.153 804 2HD1 ILE 105 2HD1 ILE 105 3.761 -15.882 -2.820 805 3HD1 ILE 105 3HD1 ILE 105 4.672 -14.468 -2.292 806 H LYS 106 H LYS 106 6.366 -17.382 1.086 807 HA LYS 106 HA LYS 106 8.219 -19.611 0.557 808 1HB LYS 106 2HB LYS 106 7.905 -18.612 2.948 809 2HB LYS 106 1HB LYS 106 6.395 -19.511 2.936 810 1HG LYS 106 2HG LYS 106 8.000 -20.877 4.001 811 2HG LYS 106 1HG LYS 106 7.737 -21.563 2.396 812 1HD LYS 106 2HD LYS 106 9.783 -20.699 1.587 813 2HD LYS 106 1HD LYS 106 9.976 -19.643 2.987 814 1HE LYS 106 2HE LYS 106 11.456 -21.403 3.394 815 2HE LYS 106 1HE LYS 106 10.040 -21.799 4.366 816 1HZ LYS 106 1HZ LYS 106 9.557 -23.581 3.100 817 2HZ LYS 106 2HZ LYS 106 11.205 -23.523 2.728 818 3HZ LYS 106 3HZ LYS 106 10.074 -22.859 1.659 819 H GLU 107 H GLU 107 7.395 -21.637 0.055 820 HA GLU 107 HA GLU 107 5.138 -21.832 -1.493 821 1HB GLU 107 2HB GLU 107 6.876 -23.763 -0.090 822 2HB GLU 107 1HB GLU 107 5.276 -24.365 -0.503 823 1HG GLU 107 2HG GLU 107 6.753 -22.946 -2.631 824 2HG GLU 107 1HG GLU 107 7.367 -24.526 -2.147 825 H GLY 108 H GLY 108 5.426 -22.629 1.961 826 1HA GLY 108 2HA GLY 108 2.508 -22.863 2.140 827 2HA GLY 108 1HA GLY 108 3.661 -23.341 3.379 828 H HIS 109 H HIS 109 2.972 -20.346 1.584 829 HA HIS 109 HA HIS 109 3.693 -18.603 3.637 830 1HB HIS 109 2HB HIS 109 2.628 -16.872 2.350 831 2HB HIS 109 1HB HIS 109 3.399 -17.991 1.232 832 HD1 HIS 109 1HD HIS 109 0.997 -20.116 1.398 833 HD2 HIS 109 2HD HIS 109 0.687 -16.062 0.541 834 HE1 HIS 109 1HE HIS 109 -1.149 -19.864 0.114 835 HE2 HIS 109 2HE HIS 109 -1.268 -17.417 -0.475 836 H GLU 110 H GLU 110 2.438 -17.301 5.038 837 HA GLU 110 HA GLU 110 0.420 -18.708 6.431 838 1HB GLU 110 2HB GLU 110 2.007 -17.008 7.406 839 2HB GLU 110 1HB GLU 110 1.034 -15.758 6.641 840 1HG GLU 110 2HG GLU 110 0.508 -16.097 9.027 841 2HG GLU 110 1HG GLU 110 -0.874 -16.347 7.960 842 H ARG 111 H ARG 111 -1.745 -18.662 6.298 843 HA ARG 111 HA ARG 111 -2.936 -16.876 4.285 844 1HB ARG 111 2HB ARG 111 -3.665 -19.631 5.239 845 2HB ARG 111 1HB ARG 111 -4.857 -18.610 4.446 846 1HG ARG 111 2HG ARG 111 -4.063 -19.776 2.658 847 2HG ARG 111 1HG ARG 111 -2.979 -18.384 2.625 848 1HD ARG 111 2HD ARG 111 -1.456 -20.082 2.454 849 2HD ARG 111 1HD ARG 111 -1.523 -19.900 4.206 850 HE ARG 111 HE ARG 111 -2.473 -21.977 4.356 851 1HH1 ARG 111 1HH1 ARG 111 -2.638 -20.893 1.043 852 2HH1 ARG 111 2HH1 ARG 111 -3.194 -22.419 0.440 853 1HH2 ARG 111 1HH2 ARG 111 -3.203 -23.984 3.566 854 2HH2 ARG 111 2HH2 ARG 111 -3.515 -24.174 1.872 855 H ARG 112 H ARG 112 -4.589 -15.542 4.813 856 HA ARG 112 HA ARG 112 -5.628 -15.681 7.565 857 1HB ARG 112 2HB ARG 112 -4.245 -13.484 6.204 858 2HB ARG 112 1HB ARG 112 -5.768 -13.006 6.939 859 1HG ARG 112 2HG ARG 112 -5.009 -13.309 9.049 860 2HG ARG 112 1HG ARG 112 -3.944 -14.639 8.595 861 1HD ARG 112 2HD ARG 112 -2.861 -12.479 7.270 862 2HD ARG 112 1HD ARG 112 -3.391 -11.788 8.803 863 HE ARG 112 HE ARG 112 -1.222 -13.619 8.385 864 1HH1 ARG 112 1HH1 ARG 112 -3.564 -12.459 10.699 865 2HH1 ARG 112 2HH1 ARG 112 -2.615 -12.913 12.074 866 1HH2 ARG 112 1HH2 ARG 112 0.027 -14.216 10.193 867 2HH2 ARG 112 2HH2 ARG 112 -0.576 -13.909 11.788 868 H ASP 113 H ASP 113 -6.221 -13.857 4.555 869 HA ASP 113 HA ASP 113 -9.026 -14.727 4.676 870 1HB ASP 113 2HB ASP 113 -8.101 -11.917 4.041 871 2HB ASP 113 1HB ASP 113 -9.768 -12.486 4.026 872 H GLU 114 H GLU 114 -10.091 -14.894 2.675 873 HA GLU 114 HA GLU 114 -8.299 -15.409 0.453 874 1HB GLU 114 2HB GLU 114 -11.294 -15.780 0.657 875 2HB GLU 114 1HB GLU 114 -10.265 -16.379 -0.638 876 1HG GLU 114 2HG GLU 114 -9.615 -17.191 2.139 877 2HG GLU 114 1HG GLU 114 -11.033 -17.907 1.373 878 H VAL 115 H VAL 115 -7.676 -13.621 -0.613 879 HA VAL 115 HA VAL 115 -9.736 -11.650 -1.339 880 HB VAL 115 HB VAL 115 -7.827 -10.746 -0.061 881 1HG1 VAL 115 1HG1 VAL 115 -6.284 -12.466 -1.488 882 2HG1 VAL 115 2HG1 VAL 115 -5.667 -11.092 -0.570 883 3HG1 VAL 115 3HG1 VAL 115 -5.948 -10.941 -2.306 884 1HG2 VAL 115 1HG2 VAL 115 -7.348 -8.866 -1.521 885 2HG2 VAL 115 2HG2 VAL 115 -9.043 -9.334 -1.661 886 3HG2 VAL 115 3HG2 VAL 115 -7.895 -9.790 -2.920 887 H LYS 116 H LYS 116 -10.524 -11.923 -3.299 888 HA LYS 116 HA LYS 116 -9.298 -13.475 -5.310 889 1HB LYS 116 2HB LYS 116 -11.659 -11.640 -5.209 890 2HB LYS 116 1HB LYS 116 -11.080 -12.208 -6.768 891 1HG LYS 116 2HG LYS 116 -12.098 -14.154 -6.497 892 2HG LYS 116 1HG LYS 116 -11.285 -14.414 -4.952 893 1HD LYS 116 2HD LYS 116 -13.528 -12.484 -4.967 894 2HD LYS 116 1HD LYS 116 -13.946 -14.184 -5.189 895 1HE LYS 116 2HE LYS 116 -12.608 -14.696 -3.142 896 2HE LYS 116 1HE LYS 116 -12.424 -12.960 -2.893 897 1HZ LYS 116 1HZ LYS 116 -14.742 -12.718 -2.582 898 2HZ LYS 116 2HZ LYS 116 -14.275 -14.035 -1.629 899 3HZ LYS 116 3HZ LYS 116 -15.063 -14.295 -3.102 900 H ALA 117 H ALA 117 -9.055 -10.112 -4.470 901 HA ALA 117 HA ALA 117 -6.786 -9.626 -5.990 902 1HB ALA 117 1HB ALA 117 -7.893 -9.834 -8.027 903 2HB ALA 117 2HB ALA 117 -7.868 -8.092 -7.753 904 3HB ALA 117 3HB ALA 117 -9.338 -9.013 -7.437 905 H VAL 118 H VAL 118 -6.696 -7.081 -6.560 906 HA VAL 118 HA VAL 118 -7.686 -5.685 -4.159 907 HB VAL 118 HB VAL 118 -5.311 -5.871 -3.973 908 1HG1 VAL 118 1HG1 VAL 118 -5.081 -4.695 -6.739 909 2HG1 VAL 118 2HG1 VAL 118 -4.862 -6.399 -6.339 910 3HG1 VAL 118 3HG1 VAL 118 -3.754 -5.191 -5.689 911 1HG2 VAL 118 1HG2 VAL 118 -5.014 -3.749 -3.342 912 2HG2 VAL 118 2HG2 VAL 118 -6.619 -3.444 -4.007 913 3HG2 VAL 118 3HG2 VAL 118 -5.185 -3.146 -4.990 914 H THR 119 H THR 119 -9.322 -4.399 -4.740 915 HA THR 119 HA THR 119 -9.091 -2.910 -7.273 916 HB THR 119 HB THR 119 -11.624 -3.650 -5.800 917 HG1 THR 119 1HG THR 119 -11.878 -5.144 -7.520 918 1HG2 THR 119 1HG2 THR 119 -11.162 -2.415 -8.499 919 2HG2 THR 119 2HG2 THR 119 -12.044 -1.732 -7.132 920 3HG2 THR 119 3HG2 THR 119 -12.692 -3.129 -7.992 921 H PHE 120 H PHE 120 -8.316 -0.958 -6.768 922 HA PHE 120 HA PHE 120 -8.338 0.489 -4.477 923 1HB PHE 120 2HB PHE 120 -8.175 2.512 -5.844 924 2HB PHE 120 1HB PHE 120 -7.211 1.209 -6.531 925 HD1 PHE 120 1HD PHE 120 -8.124 -0.061 -8.504 926 HD2 PHE 120 2HD PHE 120 -9.860 3.559 -7.090 927 HE1 PHE 120 1HE PHE 120 -9.262 0.234 -10.666 928 HE2 PHE 120 2HE PHE 120 -11.001 3.859 -9.248 929 HZ PHE 120 HZ PHE 120 -10.702 2.196 -11.040 930 H HIS 121 H HIS 121 -10.046 0.733 -3.118 931 HA HIS 121 HA HIS 121 -12.745 0.841 -3.803 932 1HB HIS 121 2HB HIS 121 -11.967 0.586 -1.456 933 2HB HIS 121 1HB HIS 121 -11.409 2.246 -1.471 934 HD1 HIS 121 1HD HIS 121 -14.706 1.350 -2.991 935 HD2 HIS 121 2HD HIS 121 -13.217 3.000 0.520 936 HE1 HIS 121 1HE HIS 121 -16.704 2.297 -1.794 937 HE2 HIS 121 2HE HIS 121 -15.792 3.198 0.376 938 H MET 122 H MET 122 -10.285 3.173 -3.472 939 HA MET 122 HA MET 122 -11.170 5.042 -5.329 940 1HB MET 122 2HB MET 122 -12.376 5.333 -2.741 941 2HB MET 122 1HB MET 122 -11.249 6.661 -2.981 942 1HG MET 122 2HG MET 122 -12.498 6.706 -5.350 943 2HG MET 122 1HG MET 122 -13.791 6.055 -4.344 944 1HE MET 122 1HE MET 122 -14.861 7.199 -2.379 945 2HE MET 122 2HE MET 122 -15.587 7.869 -3.838 946 3HE MET 122 3HE MET 122 -15.169 8.931 -2.494 947 H MET 123 H MET 123 -9.393 4.206 -2.422 948 HA MET 123 HA MET 123 -7.288 4.635 -1.714 949 1HB MET 123 2HB MET 123 -7.204 4.013 -4.554 950 2HB MET 123 1HB MET 123 -5.825 4.971 -4.055 951 1HG MET 123 2HG MET 123 -4.958 3.328 -2.767 952 2HG MET 123 1HG MET 123 -6.542 2.680 -2.343 953 1HE MET 123 1HE MET 123 -3.854 3.003 -5.153 954 2HE MET 123 2HE MET 123 -5.322 3.432 -6.030 955 3HE MET 123 3HE MET 123 -4.481 1.927 -6.402 956 H GLU 124 H GLU 124 -8.456 6.729 -1.146 957 HA GLU 124 HA GLU 124 -6.804 8.939 -2.160 958 1HB GLU 124 2HB GLU 124 -9.772 9.090 -1.591 959 2HB GLU 124 1HB GLU 124 -8.746 10.443 -2.047 960 1HG GLU 124 2HG GLU 124 -8.236 9.119 -4.165 961 2HG GLU 124 1HG GLU 124 -9.606 8.105 -3.712 962 H ILE 125 H ILE 125 -6.180 10.421 -0.637 963 HA ILE 125 HA ILE 125 -6.604 9.575 2.123 964 HB ILE 125 HB ILE 125 -4.793 11.396 2.533 965 1HG1 ILE 125 2HG1 ILE 125 -4.261 10.775 -0.377 966 2HG1 ILE 125 1HG1 ILE 125 -4.972 12.284 0.187 967 1HG2 ILE 125 1HG2 ILE 125 -3.031 9.656 1.712 968 2HG2 ILE 125 2HG2 ILE 125 -4.454 8.671 1.369 969 3HG2 ILE 125 3HG2 ILE 125 -4.150 9.240 3.010 970 1HD1 ILE 125 1HD1 ILE 125 -2.540 12.395 -0.280 971 2HD1 ILE 125 2HD1 ILE 125 -2.282 11.267 1.051 972 3HD1 ILE 125 3HD1 ILE 125 -2.983 12.855 1.364 973 H LEU 126 H LEU 126 -8.213 10.489 3.175 974 HA LEU 126 HA LEU 126 -8.953 13.261 2.511 975 1HB LEU 126 2HB LEU 126 -10.498 10.982 2.886 976 2HB LEU 126 1HB LEU 126 -10.708 11.878 4.378 977 HG LEU 126 HG LEU 126 -11.013 13.409 1.857 978 1HD1 LEU 126 1HD1 LEU 126 -13.162 12.615 1.345 979 2HD1 LEU 126 2HD1 LEU 126 -13.254 11.664 2.828 980 3HD1 LEU 126 3HD1 LEU 126 -12.168 11.170 1.530 981 1HD2 LEU 126 1HD2 LEU 126 -11.497 14.779 3.594 982 2HD2 LEU 126 2HD2 LEU 126 -11.995 13.453 4.645 983 3HD2 LEU 126 3HD2 LEU 126 -13.094 14.055 3.404 984 H ASP 127 H ASP 127 -8.815 14.881 3.993 985 HA ASP 127 HA ASP 127 -7.454 14.206 6.485 986 1HB ASP 127 2HB ASP 127 -7.633 16.650 4.791 987 2HB ASP 127 1HB ASP 127 -7.319 16.854 6.511 988 H GLU 128 H GLU 128 -8.489 14.152 8.343 989 HA GLU 128 HA GLU 128 -10.924 15.774 8.675 990 1HB GLU 128 2HB GLU 128 -10.893 13.033 8.586 991 2HB GLU 128 1HB GLU 128 -10.768 13.340 10.313 992 1HG GLU 128 2HG GLU 128 -12.862 14.172 10.462 993 2HG GLU 128 1HG GLU 128 -12.818 14.874 8.846 994 H ASP 129 H ASP 129 -10.640 17.280 10.204 995 HA ASP 129 HA ASP 129 -9.907 18.350 12.087 996 1HB ASP 129 2HB ASP 129 -10.701 15.900 12.922 997 2HB ASP 129 1HB ASP 129 -9.013 15.874 13.423 998 H GLY 130 H GLY 130 -8.036 17.472 9.913 999 1HA GLY 130 2HA GLY 130 -5.818 18.191 9.577 1000 2HA GLY 130 1HA GLY 130 -5.574 18.167 11.318 1001 H LEU 131 H LEU 131 -7.094 15.346 10.576 1002 HA LEU 131 HA LEU 131 -4.548 13.891 10.498 1003 1HB LEU 131 2HB LEU 131 -7.272 13.263 11.552 1004 2HB LEU 131 1HB LEU 131 -6.237 11.940 11.048 1005 HG LEU 131 HG LEU 131 -5.668 13.957 13.217 1006 1HD1 LEU 131 1HD1 LEU 131 -7.180 11.741 13.386 1007 2HD1 LEU 131 2HD1 LEU 131 -6.199 12.359 14.715 1008 3HD1 LEU 131 3HD1 LEU 131 -5.587 11.052 13.701 1009 1HD2 LEU 131 1HD2 LEU 131 -3.707 12.108 13.437 1010 2HD2 LEU 131 2HD2 LEU 131 -3.523 13.654 12.608 1011 3HD2 LEU 131 3HD2 LEU 131 -3.880 12.195 11.683 1012 H ILE 132 H ILE 132 -4.186 12.262 8.985 1013 HA ILE 132 HA ILE 132 -5.847 12.479 6.573 1014 HB ILE 132 HB ILE 132 -3.747 10.903 5.811 1015 1HG1 ILE 132 2HG1 ILE 132 -2.811 11.568 8.195 1016 2HG1 ILE 132 1HG1 ILE 132 -1.749 11.489 6.797 1017 1HG2 ILE 132 1HG2 ILE 132 -4.356 13.799 5.604 1018 2HG2 ILE 132 2HG2 ILE 132 -4.240 12.566 4.347 1019 3HG2 ILE 132 3HG2 ILE 132 -2.773 13.240 5.062 1020 1HD1 ILE 132 1HD1 ILE 132 -1.549 13.781 6.655 1021 2HD1 ILE 132 2HD1 ILE 132 -1.595 13.504 8.397 1022 3HD1 ILE 132 3HD1 ILE 132 -3.038 14.072 7.557 1023 H LYS 133 H LYS 133 -6.909 10.805 5.690 1024 HA LYS 133 HA LYS 133 -6.442 8.131 6.794 1025 1HB LYS 133 2HB LYS 133 -9.193 9.275 6.284 1026 2HB LYS 133 1HB LYS 133 -8.817 7.688 6.942 1027 1HG LYS 133 2HG LYS 133 -8.842 8.514 8.989 1028 2HG LYS 133 1HG LYS 133 -7.548 9.639 8.568 1029 1HD LYS 133 2HD LYS 133 -9.128 11.286 7.842 1030 2HD LYS 133 1HD LYS 133 -10.466 10.145 8.001 1031 1HE LYS 133 2HE LYS 133 -10.660 11.383 9.938 1032 2HE LYS 133 1HE LYS 133 -9.709 10.003 10.478 1033 1HZ LYS 133 1HZ LYS 133 -8.882 12.786 10.079 1034 2HZ LYS 133 2HZ LYS 133 -7.737 11.567 9.835 1035 3HZ LYS 133 3HZ LYS 133 -8.502 11.719 11.335 1036 H ALA 134 H ALA 134 -6.491 6.521 5.302 1037 HA ALA 134 HA ALA 134 -7.169 7.257 2.523 1038 1HB ALA 134 1HB ALA 134 -5.524 5.497 1.857 1039 2HB ALA 134 2HB ALA 134 -5.072 5.355 3.556 1040 3HB ALA 134 3HB ALA 134 -4.816 6.876 2.700 1041 H ARG 135 H ARG 135 -8.279 5.731 1.219 1042 HA ARG 135 HA ARG 135 -9.447 3.459 2.688 1043 1HB ARG 135 2HB ARG 135 -11.470 3.932 1.079 1044 2HB ARG 135 1HB ARG 135 -11.295 4.785 2.607 1045 1HG ARG 135 2HG ARG 135 -10.986 6.757 1.612 1046 2HG ARG 135 1HG ARG 135 -9.937 6.078 0.360 1047 1HD ARG 135 2HD ARG 135 -11.610 6.123 -1.094 1048 2HD ARG 135 1HD ARG 135 -12.597 5.125 -0.030 1049 HE ARG 135 HE ARG 135 -12.468 8.016 0.433 1050 1HH1 ARG 135 1HH1 ARG 135 -14.319 5.211 -0.542 1051 2HH1 ARG 135 2HH1 ARG 135 -15.840 6.026 -0.420 1052 1HH2 ARG 135 1HH2 ARG 135 -14.469 9.077 0.585 1053 2HH2 ARG 135 2HH2 ARG 135 -15.927 8.218 0.215 1054 H VAL 136 H VAL 136 -9.033 1.528 1.847 1055 HA VAL 136 HA VAL 136 -8.815 1.307 -1.082 1056 HB VAL 136 HB VAL 136 -7.076 -0.265 0.803 1057 1HG1 VAL 136 1HG1 VAL 136 -6.552 0.283 -2.091 1058 2HG1 VAL 136 2HG1 VAL 136 -7.647 -1.012 -1.608 1059 3HG1 VAL 136 3HG1 VAL 136 -5.965 -1.036 -1.077 1060 1HG2 VAL 136 1HG2 VAL 136 -5.296 1.353 -0.253 1061 2HG2 VAL 136 2HG2 VAL 136 -6.202 1.822 1.184 1062 3HG2 VAL 136 3HG2 VAL 136 -6.681 2.433 -0.399 1063 H ILE 137 H ILE 137 -10.317 -0.011 -1.835 1064 HA ILE 137 HA ILE 137 -11.552 -2.134 -0.333 1065 HB ILE 137 HB ILE 137 -12.191 -0.742 -2.863 1066 1HG1 ILE 137 2HG1 ILE 137 -13.266 -0.467 -0.512 1067 2HG1 ILE 137 1HG1 ILE 137 -14.315 -0.508 -1.924 1068 1HG2 ILE 137 1HG2 ILE 137 -13.807 -2.592 -3.464 1069 2HG2 ILE 137 2HG2 ILE 137 -12.867 -3.627 -2.391 1070 3HG2 ILE 137 3HG2 ILE 137 -12.104 -2.899 -3.804 1071 1HD1 ILE 137 1HD1 ILE 137 -15.317 -2.394 -1.264 1072 2HD1 ILE 137 2HD1 ILE 137 -14.667 -1.981 0.322 1073 3HD1 ILE 137 3HD1 ILE 137 -13.810 -3.124 -0.711 1074 H LEU 138 H LEU 138 -11.368 -4.237 -0.723 1075 HA LEU 138 HA LEU 138 -9.497 -5.146 -2.783 1076 1HB LEU 138 2HB LEU 138 -9.592 -6.009 0.113 1077 2HB LEU 138 1HB LEU 138 -8.614 -6.779 -1.126 1078 HG LEU 138 HG LEU 138 -7.215 -5.291 0.174 1079 1HD1 LEU 138 1HD1 LEU 138 -7.769 -3.916 -2.444 1080 2HD1 LEU 138 2HD1 LEU 138 -6.945 -5.473 -2.333 1081 3HD1 LEU 138 3HD1 LEU 138 -6.235 -4.043 -1.582 1082 1HD2 LEU 138 1HD2 LEU 138 -7.850 -3.290 0.935 1083 2HD2 LEU 138 2HD2 LEU 138 -9.471 -3.704 0.385 1084 3HD2 LEU 138 3HD2 LEU 138 -8.404 -2.767 -0.656 1085 H ASP 139 H ASP 139 -9.935 -7.336 -3.541 1086 HA ASP 139 HA ASP 139 -12.769 -7.855 -3.464 1087 1HB ASP 139 2HB ASP 139 -10.915 -8.171 -5.400 1088 2HB ASP 139 1HB ASP 139 -10.988 -9.817 -4.782 1089 H LEU 140 H LEU 140 -13.667 -8.899 -1.884 1090 HA LEU 140 HA LEU 140 -13.307 -11.544 -1.255 1091 1HB LEU 140 2HB LEU 140 -12.249 -11.444 0.978 1092 2HB LEU 140 1HB LEU 140 -11.149 -11.027 -0.317 1093 HG LEU 140 HG LEU 140 -12.476 -8.692 0.825 1094 1HD1 LEU 140 1HD1 LEU 140 -12.370 -10.076 2.848 1095 2HD1 LEU 140 2HD1 LEU 140 -11.279 -8.692 2.934 1096 3HD1 LEU 140 3HD1 LEU 140 -10.640 -10.300 2.593 1097 1HD2 LEU 140 1HD2 LEU 140 -9.656 -9.533 0.223 1098 2HD2 LEU 140 2HD2 LEU 140 -10.039 -7.999 1.004 1099 3HD2 LEU 140 3HD2 LEU 140 -10.649 -8.340 -0.615
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