NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23098 | 2jte | 15407 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -14.561 -10.180 2.874 2 H2 GLY 1 2HT GLY 1 -13.986 -11.227 4.054 3 H3 GLY 1 3HT GLY 1 -12.922 -10.153 3.296 4 HA2 GLY 1 1HA GLY 1 -15.180 -9.421 5.059 5 HA3 GLY 1 2HA GLY 1 -13.479 -9.400 5.516 6 H ALA 2 H ALA 2 -12.300 -8.282 3.319 7 HA ALA 2 HA ALA 2 -13.197 -5.544 3.561 8 HB1 ALA 2 1HB ALA 2 -11.102 -5.036 2.335 9 HB2 ALA 2 2HB ALA 2 -10.798 -6.771 2.190 10 HB3 ALA 2 3HB ALA 2 -10.813 -6.009 3.775 11 H MET 3 H MET 3 -13.480 -4.229 1.613 12 HA MET 3 HA MET 3 -14.277 -5.740 -0.738 13 HB2 MET 3 2HB MET 3 -16.309 -5.547 0.553 14 HB3 MET 3 1HB MET 3 -16.037 -3.844 0.835 15 HG2 MET 3 2HG MET 3 -16.397 -3.402 -1.546 16 HG3 MET 3 1HG MET 3 -16.669 -5.125 -1.822 17 HE1 MET 3 3HE MET 3 -18.740 -2.732 -2.610 18 HE2 MET 3 1HE MET 3 -20.258 -3.519 -2.187 19 HE3 MET 3 2HE MET 3 -18.991 -4.436 -3.003 20 H GLY 4 H GLY 4 -12.727 -4.915 -1.997 21 HA2 GLY 4 2HA GLY 4 -11.758 -2.286 -1.950 22 HA3 GLY 4 1HA GLY 4 -11.561 -3.433 -3.269 23 H ALA 5 H ALA 5 -13.324 -0.801 -2.046 24 HA ALA 5 HA ALA 5 -15.092 -0.723 -4.394 25 HB1 ALA 5 1HB ALA 5 -16.362 0.940 -3.101 26 HB2 ALA 5 2HB ALA 5 -15.179 0.823 -1.797 27 HB3 ALA 5 3HB ALA 5 -16.182 -0.569 -2.205 28 H LYS 6 H LYS 6 -12.224 -0.111 -4.255 29 HA LYS 6 HA LYS 6 -10.741 1.224 -5.164 30 HB2 LYS 6 2HB LYS 6 -12.944 3.247 -5.667 31 HB3 LYS 6 1HB LYS 6 -11.291 3.385 -6.255 32 HG2 LYS 6 2HG LYS 6 -11.568 1.462 -7.669 33 HG3 LYS 6 1HG LYS 6 -13.151 1.130 -6.968 34 HD2 LYS 6 2HD LYS 6 -12.407 3.547 -8.621 35 HD3 LYS 6 1HD LYS 6 -13.358 2.171 -9.171 36 HE2 LYS 6 2HE LYS 6 -14.113 4.216 -7.081 37 HE3 LYS 6 1HE LYS 6 -14.861 3.961 -8.647 38 HZ1 LYS 6 3HZ LYS 6 -15.511 1.668 -7.772 39 HZ2 LYS 6 1HZ LYS 6 -16.271 2.979 -7.053 40 HZ3 LYS 6 2HZ LYS 6 -15.052 2.234 -6.240 41 H GLU 7 H GLU 7 -10.036 1.061 -3.145 42 HA GLU 7 HA GLU 7 -10.386 3.345 -1.383 43 HB2 GLU 7 2HB GLU 7 -9.121 0.620 -0.923 44 HB3 GLU 7 1HB GLU 7 -9.245 1.883 0.294 45 HG2 GLU 7 2HG GLU 7 -11.704 1.757 0.148 46 HG3 GLU 7 1HG GLU 7 -11.554 0.472 -1.046 47 H TYR 8 H TYR 8 -8.483 4.404 -0.544 48 HA TYR 8 HA TYR 8 -6.017 3.996 -2.074 49 HD1 TYR 8 2HD TYR 8 -5.699 5.312 -4.731 50 HD2 TYR 8 1HD TYR 8 -9.396 6.376 -2.939 51 HE1 TYR 8 2HE TYR 8 -6.832 5.062 -6.916 52 HE2 TYR 8 1HE TYR 8 -10.528 6.133 -5.103 53 HH TYR 8 HH TYR 8 -9.056 4.617 -7.752 54 HB2 TYR 8 2HB TYR 8 -7.244 6.761 -1.755 55 HB3 TYR 8 1HB TYR 8 -5.752 6.356 -2.546 56 H CYS 9 H CYS 9 -4.183 4.822 -0.992 57 HA CYS 9 HA CYS 9 -4.639 5.671 1.761 58 HG CYS 9 HG CYS 9 -3.235 2.997 -0.725 59 HB2 CYS 9 2HB CYS 9 -2.838 4.009 2.455 60 HB3 CYS 9 1HB CYS 9 -4.420 3.338 2.089 61 H ARG 10 H ARG 10 -2.737 6.596 2.764 62 HA ARG 10 HA ARG 10 -0.718 7.487 0.827 63 HE ARG 10 HE ARG 10 1.740 11.296 3.258 64 HB2 ARG 10 2HB ARG 10 -2.045 9.441 1.495 65 HB3 ARG 10 1HB ARG 10 -1.835 9.026 3.192 66 HG2 ARG 10 2HG ARG 10 0.605 9.340 2.947 67 HG3 ARG 10 1HG ARG 10 0.348 9.837 1.283 68 HD2 ARG 10 2HD ARG 10 -0.847 11.786 1.994 69 HD3 ARG 10 1HD ARG 10 -0.844 11.231 3.671 70 HH11 ARG 10 1HH1 ARG 10 -0.600 13.724 2.202 71 HH12 ARG 10 2HH1 ARG 10 0.482 15.012 2.352 72 HH21 ARG 10 1HH2 ARG 10 3.193 13.024 3.447 73 HH22 ARG 10 2HH2 ARG 10 2.702 14.633 3.097 74 H THR 11 H THR 11 1.338 7.236 1.429 75 HA THR 11 HA THR 11 1.909 5.584 3.656 76 HB THR 11 HB THR 11 4.246 5.901 2.774 77 HG1 THR 11 1HG THR 11 4.481 7.047 0.938 78 HG21 THR 11 3HG2 THR 11 2.792 4.070 2.064 79 HG22 THR 11 1HG2 THR 11 3.785 4.642 0.725 80 HG23 THR 11 2HG2 THR 11 2.085 5.106 0.823 81 H LEU 12 H LEU 12 2.721 6.179 5.583 82 HA LEU 12 HA LEU 12 3.053 9.047 6.162 83 HG LEU 12 HG LEU 12 0.657 7.191 7.053 84 HB2 LEU 12 2HB LEU 12 2.868 6.656 7.996 85 HB3 LEU 12 1HB LEU 12 3.041 8.312 8.525 86 HD11 LEU 12 1HD1 LEU 12 -0.482 7.476 9.214 87 HD12 LEU 12 2HD1 LEU 12 1.046 7.955 9.945 88 HD13 LEU 12 3HD1 LEU 12 0.844 6.320 9.317 89 HD21 LEU 12 3HD2 LEU 12 1.127 9.898 8.305 90 HD22 LEU 12 1HD2 LEU 12 -0.387 9.333 7.605 91 HD23 LEU 12 2HD2 LEU 12 1.020 9.563 6.572 92 H PHE 13 H PHE 13 4.770 6.183 5.630 93 HA PHE 13 HA PHE 13 7.288 7.456 6.308 94 HD1 PHE 13 1HD PHE 13 8.541 7.158 8.960 95 HD2 PHE 13 2HD PHE 13 4.821 5.088 8.826 96 HE1 PHE 13 1HE PHE 13 8.013 7.965 11.220 97 HE2 PHE 13 2HE PHE 13 4.285 5.899 11.085 98 HZ PHE 13 HZ PHE 13 5.883 7.341 12.286 99 HB2 PHE 13 2HB PHE 13 6.479 4.661 7.208 100 HB3 PHE 13 1HB PHE 13 8.102 5.317 7.330 101 HA PRO 14 HA PRO 14 8.183 5.406 2.457 102 HB2 PRO 14 2HB PRO 14 10.871 5.521 2.460 103 HB3 PRO 14 1HB PRO 14 9.900 6.986 2.259 104 HG2 PRO 14 2HG PRO 14 11.247 5.937 4.717 105 HG3 PRO 14 1HG PRO 14 11.196 7.597 4.099 106 HD2 PRO 14 2HD PRO 14 9.571 6.690 6.094 107 HD3 PRO 14 1HD PRO 14 9.104 7.985 4.973 108 H TYR 15 H TYR 15 9.096 3.391 1.726 109 HA TYR 15 HA TYR 15 10.334 1.659 3.659 110 HD1 TYR 15 2HD TYR 15 9.652 -0.380 5.267 111 HD2 TYR 15 1HD TYR 15 7.688 -1.173 1.586 112 HE1 TYR 15 2HE TYR 15 10.117 -2.780 5.543 113 HE2 TYR 15 1HE TYR 15 8.144 -3.572 1.857 114 HH TYR 15 HH TYR 15 9.784 -4.972 3.012 115 HB2 TYR 15 2HB TYR 15 7.984 1.247 4.166 116 HB3 TYR 15 1HB TYR 15 7.629 0.992 2.466 117 H THR 16 H THR 16 11.696 0.352 2.705 118 HA THR 16 HA THR 16 11.811 0.416 -0.182 119 HB THR 16 HB THR 16 13.816 -0.543 1.864 120 HG1 THR 16 1HG THR 16 13.269 1.748 1.751 121 HG21 THR 16 3HG2 THR 16 14.079 -0.066 -1.113 122 HG22 THR 16 1HG2 THR 16 14.090 -1.642 -0.319 123 HG23 THR 16 2HG2 THR 16 15.396 -0.496 -0.021 124 H GLY 17 H GLY 17 11.072 -1.275 -1.317 125 HA2 GLY 17 2HA GLY 17 10.309 -3.674 0.029 126 HA3 GLY 17 1HA GLY 17 10.105 -3.311 -1.685 127 H THR 18 H THR 18 11.465 -5.383 0.206 128 HA THR 18 HA THR 18 14.121 -5.462 -1.000 129 HB THR 18 HB THR 18 14.364 -7.491 0.536 130 HG1 THR 18 1HG THR 18 11.822 -6.515 1.479 131 HG21 THR 18 3HG2 THR 18 13.643 -4.841 1.802 132 HG22 THR 18 1HG2 THR 18 15.230 -5.283 1.176 133 HG23 THR 18 2HG2 THR 18 14.573 -6.120 2.584 134 H ASN 19 H ASN 19 11.119 -7.122 -0.867 135 HA ASN 19 HA ASN 19 11.902 -9.069 -2.854 136 HB2 ASN 19 2HB ASN 19 9.294 -8.554 -1.426 137 HB3 ASN 19 1HB ASN 19 9.498 -9.798 -2.635 138 HD21 ASN 19 1HD2 ASN 19 9.893 -8.916 0.681 139 HD22 ASN 19 2HD2 ASN 19 10.586 -10.398 1.195 140 H GLU 20 H GLU 20 10.421 -9.262 -4.788 141 HA GLU 20 HA GLU 20 10.145 -6.696 -6.053 142 HB2 GLU 20 2HB GLU 20 11.033 -8.659 -7.226 143 HB3 GLU 20 1HB GLU 20 9.520 -9.498 -6.941 144 HG2 GLU 20 2HG GLU 20 8.360 -7.845 -8.303 145 HG3 GLU 20 1HG GLU 20 9.916 -7.084 -8.656 146 H ASP 21 H ASP 21 8.168 -9.244 -4.727 147 HA ASP 21 HA ASP 21 5.625 -8.115 -5.446 148 HB2 ASP 21 2HB ASP 21 6.431 -10.255 -3.474 149 HB3 ASP 21 1HB ASP 21 4.763 -9.756 -3.702 150 H GLU 22 H GLU 22 7.857 -6.934 -3.548 151 HA GLU 22 HA GLU 22 6.064 -6.010 -1.430 152 HB2 GLU 22 2HB GLU 22 7.997 -7.381 -0.801 153 HB3 GLU 22 1HB GLU 22 9.086 -6.206 -1.533 154 HG2 GLU 22 2HG GLU 22 8.421 -4.618 0.165 155 HG3 GLU 22 1HG GLU 22 7.292 -5.800 0.844 156 H LEU 23 H LEU 23 5.705 -3.863 -1.427 157 HA LEU 23 HA LEU 23 6.491 -2.464 -3.846 158 HG LEU 23 HG LEU 23 4.219 -1.588 -4.743 159 HB2 LEU 23 2HB LEU 23 4.153 -2.686 -2.589 160 HB3 LEU 23 1HB LEU 23 4.722 -1.246 -1.784 161 HD11 LEU 23 1HD1 LEU 23 2.196 -1.442 -3.455 162 HD12 LEU 23 2HD1 LEU 23 2.431 0.032 -4.391 163 HD13 LEU 23 3HD1 LEU 23 2.775 0.021 -2.659 164 HD21 LEU 23 3HD2 LEU 23 4.695 0.777 -4.998 165 HD22 LEU 23 1HD2 LEU 23 6.102 -0.048 -4.338 166 HD23 LEU 23 2HD2 LEU 23 5.069 0.920 -3.281 167 H THR 24 H THR 24 8.104 -1.019 -3.909 168 HA THR 24 HA THR 24 9.243 0.101 -1.472 169 HB THR 24 HB THR 24 10.000 0.412 -4.400 170 HG1 THR 24 1HG THR 24 10.971 -1.421 -4.139 171 HG21 THR 24 3HG2 THR 24 10.798 2.317 -3.073 172 HG22 THR 24 1HG2 THR 24 12.148 1.297 -3.562 173 HG23 THR 24 2HG2 THR 24 11.533 1.223 -1.910 174 H PHE 25 H PHE 25 8.458 2.004 -0.725 175 HA PHE 25 HA PHE 25 7.483 3.929 -2.652 176 HD1 PHE 25 1HD PHE 25 6.306 4.272 1.317 177 HD2 PHE 25 2HD PHE 25 4.926 1.007 -1.024 178 HE1 PHE 25 1HE PHE 25 5.766 3.030 3.370 179 HE2 PHE 25 2HE PHE 25 4.394 -0.239 1.012 180 HZ PHE 25 HZ PHE 25 4.808 0.767 3.218 181 HB2 PHE 25 2HB PHE 25 5.535 4.476 -1.133 182 HB3 PHE 25 1HB PHE 25 5.425 2.998 -2.068 183 H ARG 26 H ARG 26 7.245 6.046 -1.927 184 HA ARG 26 HA ARG 26 9.134 6.844 0.165 185 HE ARG 26 HE ARG 26 11.595 7.896 -4.155 186 HB2 ARG 26 2HB ARG 26 7.715 8.423 -2.001 187 HB3 ARG 26 1HB ARG 26 8.932 9.072 -0.915 188 HG2 ARG 26 2HG ARG 26 10.630 7.701 -1.890 189 HG3 ARG 26 1HG ARG 26 9.444 6.828 -2.853 190 HD2 ARG 26 2HD ARG 26 8.887 8.943 -4.000 191 HD3 ARG 26 1HD ARG 26 10.169 9.745 -3.095 192 HH11 ARG 26 1HH1 ARG 26 9.009 9.711 -5.722 193 HH12 ARG 26 2HH1 ARG 26 9.580 9.503 -7.304 194 HH21 ARG 26 1HH2 ARG 26 12.437 7.615 -6.323 195 HH22 ARG 26 2HH2 ARG 26 11.620 8.303 -7.659 196 H GLU 27 H GLU 27 8.165 9.108 1.182 197 HA GLU 27 HA GLU 27 5.597 8.397 2.346 198 HB2 GLU 27 2HB GLU 27 7.549 9.083 3.764 199 HB3 GLU 27 1HB GLU 27 7.530 10.650 2.991 200 HG2 GLU 27 2HG GLU 27 5.204 9.595 4.591 201 HG3 GLU 27 1HG GLU 27 6.531 10.474 5.323 202 H GLY 28 H GLY 28 3.776 9.557 2.000 203 HA2 GLY 28 2HA GLY 28 2.520 11.451 1.321 204 HA3 GLY 28 1HA GLY 28 3.938 12.038 0.457 205 H GLU 29 H GLU 29 3.225 8.762 0.029 206 HA GLU 29 HA GLU 29 2.501 9.335 -2.728 207 HB2 GLU 29 2HB GLU 29 3.338 6.778 -1.371 208 HB3 GLU 29 1HB GLU 29 3.011 6.959 -3.086 209 HG2 GLU 29 2HG GLU 29 5.174 8.403 -1.575 210 HG3 GLU 29 1HG GLU 29 5.401 6.947 -2.534 211 H ILE 30 H ILE 30 0.472 9.116 -3.375 212 HA ILE 30 HA ILE 30 -1.453 7.773 -1.670 213 HB ILE 30 HB ILE 30 -1.864 9.124 -4.373 214 HG12 ILE 30 2HG1 ILE 30 -1.160 10.744 -2.655 215 HG13 ILE 30 1HG1 ILE 30 -2.838 11.000 -3.130 216 HG21 ILE 30 1HG2 ILE 30 -3.584 7.466 -3.939 217 HG22 ILE 30 2HG2 ILE 30 -4.257 9.093 -3.840 218 HG23 ILE 30 3HG2 ILE 30 -3.912 8.193 -2.366 219 HD11 ILE 30 3HD1 ILE 30 -2.541 11.274 -0.739 220 HD12 ILE 30 1HD1 ILE 30 -1.873 9.644 -0.619 221 HD13 ILE 30 2HD1 ILE 30 -3.560 9.876 -1.080 222 H ILE 31 H ILE 31 -1.774 5.741 -1.880 223 HA ILE 31 HA ILE 31 -0.802 4.338 -4.281 224 HB ILE 31 HB ILE 31 -1.211 3.294 -1.453 225 HG12 ILE 31 2HG1 ILE 31 1.332 3.865 -2.987 226 HG13 ILE 31 1HG1 ILE 31 0.726 4.770 -1.609 227 HG21 ILE 31 1HG2 ILE 31 -0.111 1.234 -2.214 228 HG22 ILE 31 2HG2 ILE 31 -0.086 1.863 -3.860 229 HG23 ILE 31 3HG2 ILE 31 -1.627 1.529 -3.067 230 HD11 ILE 31 3HD1 ILE 31 1.639 1.899 -1.575 231 HD12 ILE 31 1HD1 ILE 31 1.034 2.804 -0.188 232 HD13 ILE 31 2HD1 ILE 31 2.544 3.285 -0.969 233 H HIS 32 H HIS 32 -2.147 2.855 -5.282 234 HA HIS 32 HA HIS 32 -4.989 3.220 -4.785 235 HD1 HIS 32 1HD HIS 32 -2.669 2.601 -8.967 236 HD2 HIS 32 2HD HIS 32 -4.815 5.235 -6.567 237 HE1 HIS 32 1HE HIS 32 -2.378 4.882 -9.976 238 HB2 HIS 32 2HB HIS 32 -3.616 1.501 -6.883 239 HB3 HIS 32 1HB HIS 32 -5.287 2.043 -6.886 240 H LEU 33 H LEU 33 -5.790 1.932 -3.248 241 HA LEU 33 HA LEU 33 -4.367 -0.384 -2.386 242 HG LEU 33 HG LEU 33 -5.178 -1.132 -0.001 243 HB2 LEU 33 2HB LEU 33 -5.620 1.204 -0.888 244 HB3 LEU 33 1HB LEU 33 -7.106 0.602 -1.572 245 HD11 LEU 33 1HD1 LEU 33 -7.648 0.323 0.927 246 HD12 LEU 33 2HD1 LEU 33 -5.988 0.713 1.375 247 HD13 LEU 33 3HD1 LEU 33 -6.702 -0.820 1.880 248 HD21 LEU 33 3HD2 LEU 33 -8.124 -1.523 -0.549 249 HD22 LEU 33 1HD2 LEU 33 -7.000 -2.678 0.166 250 HD23 LEU 33 2HD2 LEU 33 -6.850 -2.251 -1.530 251 H ILE 34 H ILE 34 -4.598 -2.350 -3.056 252 HA ILE 34 HA ILE 34 -6.650 -2.934 -5.051 253 HB ILE 34 HB ILE 34 -4.140 -4.468 -4.303 254 HG12 ILE 34 2HG1 ILE 34 -3.536 -2.354 -5.332 255 HG13 ILE 34 1HG1 ILE 34 -3.220 -3.663 -6.461 256 HG21 ILE 34 1HG2 ILE 34 -6.033 -4.890 -6.604 257 HG22 ILE 34 2HG2 ILE 34 -5.779 -5.979 -5.234 258 HG23 ILE 34 3HG2 ILE 34 -4.482 -5.699 -6.406 259 HD11 ILE 34 3HD1 ILE 34 -5.549 -1.753 -6.523 260 HD12 ILE 34 1HD1 ILE 34 -5.318 -3.106 -7.634 261 HD13 ILE 34 2HD1 ILE 34 -4.164 -1.775 -7.612 262 H SER 35 H SER 35 -5.146 -4.348 -2.133 263 HA SER 35 HA SER 35 -7.683 -5.504 -1.400 264 HG SER 35 HG SER 35 -7.427 -6.527 -3.417 265 HB2 SER 35 2HB SER 35 -5.264 -7.242 -1.950 266 HB3 SER 35 1HB SER 35 -6.771 -7.811 -1.241 267 H LYS 36 H LYS 36 -7.881 -5.551 0.785 268 HA LYS 36 HA LYS 36 -5.538 -4.915 2.392 269 HB2 LYS 36 2HB LYS 36 -8.494 -4.979 3.035 270 HB3 LYS 36 1HB LYS 36 -7.272 -4.798 4.289 271 HG2 LYS 36 2HG LYS 36 -6.459 -2.783 3.270 272 HG3 LYS 36 1HG LYS 36 -7.575 -2.937 1.935 273 HD2 LYS 36 2HD LYS 36 -8.313 -2.493 4.821 274 HD3 LYS 36 1HD LYS 36 -8.288 -1.262 3.562 275 HE2 LYS 36 2HE LYS 36 -9.966 -2.676 2.323 276 HE3 LYS 36 1HE LYS 36 -10.101 -3.645 3.790 277 HZ1 LYS 36 3HZ LYS 36 -10.801 -0.817 3.384 278 HZ2 LYS 36 1HZ LYS 36 -10.650 -1.482 4.949 279 HZ3 LYS 36 2HZ LYS 36 -11.790 -2.087 3.863 280 H GLU 37 H GLU 37 -7.623 -7.498 1.595 281 HA GLU 37 HA GLU 37 -6.384 -9.205 3.596 282 HB2 GLU 37 2HB GLU 37 -8.588 -9.749 1.601 283 HB3 GLU 37 1HB GLU 37 -7.951 -10.932 2.734 284 HG2 GLU 37 2HG GLU 37 -8.713 -9.559 4.594 285 HG3 GLU 37 1HG GLU 37 -9.331 -8.368 3.450 286 H THR 38 H THR 38 -4.379 -9.651 2.921 287 HA THR 38 HA THR 38 -3.996 -10.543 0.155 288 HB THR 38 HB THR 38 -1.558 -10.380 0.835 289 HG1 THR 38 1HG THR 38 -2.159 -8.684 2.936 290 HG21 THR 38 3HG2 THR 38 -3.238 -7.875 1.073 291 HG22 THR 38 1HG2 THR 38 -2.676 -8.593 -0.437 292 HG23 THR 38 2HG2 THR 38 -1.514 -7.920 0.711 293 H GLY 39 H GLY 39 -5.054 -11.807 2.804 294 HA2 GLY 39 2HA GLY 39 -5.230 -14.145 3.187 295 HA3 GLY 39 1HA GLY 39 -3.604 -14.343 2.527 296 H GLU 40 H GLU 40 -2.862 -11.850 3.981 297 HA GLU 40 HA GLU 40 -2.531 -13.035 6.616 298 HB2 GLU 40 2HB GLU 40 -0.449 -13.066 5.342 299 HB3 GLU 40 1HB GLU 40 -0.598 -11.343 5.033 300 HG2 GLU 40 2HG GLU 40 1.014 -11.747 6.767 301 HG3 GLU 40 1HG GLU 40 -0.389 -10.910 7.434 302 H ALA 41 H ALA 41 -2.626 -11.648 8.323 303 HA ALA 41 HA ALA 41 -4.083 -9.179 7.838 304 HB1 ALA 41 1HB ALA 41 -4.971 -10.713 9.529 305 HB2 ALA 41 2HB ALA 41 -4.447 -9.201 10.274 306 HB3 ALA 41 3HB ALA 41 -3.443 -10.642 10.404 307 H GLY 42 H GLY 42 -2.829 -7.500 7.451 308 HA2 GLY 42 2HA GLY 42 -1.360 -5.948 8.835 309 HA3 GLY 42 1HA GLY 42 -0.249 -7.313 8.876 310 H TRP 43 H TRP 43 -1.164 -7.969 6.096 311 HA TRP 43 HA TRP 43 0.590 -6.020 4.799 312 HD1 TRP 43 HD TRP 43 1.044 -9.672 6.417 313 HE1 TRP 43 1HE TRP 43 3.486 -9.994 7.121 314 HE3 TRP 43 3HE TRP 43 3.275 -6.875 2.773 315 HZ2 TRP 43 2HZ TRP 43 6.050 -9.154 6.236 316 HZ3 TRP 43 3HZ TRP 43 5.728 -6.681 2.769 317 HH2 TRP 43 HH TRP 43 7.087 -7.794 4.462 318 HB2 TRP 43 2HB TRP 43 -0.018 -8.884 4.037 319 HB3 TRP 43 1HB TRP 43 0.951 -7.781 3.069 320 H TRP 44 H TRP 44 -0.247 -4.749 3.369 321 HA TRP 44 HA TRP 44 -2.888 -5.350 2.236 322 HD1 TRP 44 HD TRP 44 -3.562 -5.076 4.435 323 HE1 TRP 44 1HE TRP 44 -5.238 -3.933 6.008 324 HE3 TRP 44 3HE TRP 44 -3.177 -0.293 2.696 325 HZ2 TRP 44 2HZ TRP 44 -6.247 -1.351 6.474 326 HZ3 TRP 44 3HZ TRP 44 -4.540 1.460 3.765 327 HH2 TRP 44 HH TRP 44 -6.047 0.926 5.610 328 HB2 TRP 44 2HB TRP 44 -1.445 -2.765 2.787 329 HB3 TRP 44 1HB TRP 44 -2.751 -2.848 1.619 330 H LYS 45 H LYS 45 -3.146 -5.054 0.023 331 HA LYS 45 HA LYS 45 -0.611 -4.937 -1.428 332 HB2 LYS 45 2HB LYS 45 -1.891 -7.061 -1.817 333 HB3 LYS 45 1HB LYS 45 -3.253 -6.099 -2.360 334 HG2 LYS 45 2HG LYS 45 -2.013 -5.257 -4.238 335 HG3 LYS 45 1HG LYS 45 -0.552 -6.056 -3.674 336 HD2 LYS 45 2HD LYS 45 -1.585 -8.225 -4.046 337 HD3 LYS 45 1HD LYS 45 -3.083 -7.441 -4.566 338 HE2 LYS 45 2HE LYS 45 -1.918 -6.375 -6.411 339 HE3 LYS 45 1HE LYS 45 -0.393 -7.078 -5.888 340 HZ1 LYS 45 3HZ LYS 45 -1.152 -9.224 -6.475 341 HZ2 LYS 45 1HZ LYS 45 -1.489 -8.202 -7.769 342 HZ3 LYS 45 2HZ LYS 45 -2.731 -8.692 -6.739 343 H GLY 46 H GLY 46 -0.306 -3.316 -2.700 344 HA2 GLY 46 2HA GLY 46 -2.568 -1.675 -3.492 345 HA3 GLY 46 1HA GLY 46 -1.245 -0.918 -2.613 346 H GLU 47 H GLU 47 -2.001 -0.205 -5.143 347 HA GLU 47 HA GLU 47 0.323 -1.084 -6.664 348 HB2 GLU 47 2HB GLU 47 -1.843 -1.801 -7.646 349 HB3 GLU 47 1HB GLU 47 -2.364 -0.139 -7.675 350 HG2 GLU 47 2HG GLU 47 0.090 -0.964 -9.177 351 HG3 GLU 47 1HG GLU 47 -1.508 -1.245 -9.852 352 H LEU 48 H LEU 48 1.741 0.354 -6.950 353 HA LEU 48 HA LEU 48 1.037 3.162 -7.201 354 HG LEU 48 HG LEU 48 3.825 4.298 -6.497 355 HB2 LEU 48 2HB LEU 48 1.696 2.873 -4.851 356 HB3 LEU 48 1HB LEU 48 3.180 2.098 -5.360 357 HD11 LEU 48 1HD1 LEU 48 2.692 6.288 -5.761 358 HD12 LEU 48 2HD1 LEU 48 1.457 5.314 -4.963 359 HD13 LEU 48 3HD1 LEU 48 1.638 5.250 -6.719 360 HD21 LEU 48 3HD2 LEU 48 4.492 5.363 -4.412 361 HD22 LEU 48 1HD2 LEU 48 4.747 3.620 -4.336 362 HD23 LEU 48 2HD2 LEU 48 3.368 4.342 -3.512 363 H ASN 49 H ASN 49 2.097 3.957 -8.861 364 HA ASN 49 HA ASN 49 3.740 4.459 -10.341 365 HB2 ASN 49 2HB ASN 49 5.109 3.835 -8.095 366 HB3 ASN 49 1HB ASN 49 5.707 2.577 -9.161 367 HD21 ASN 49 1HD2 ASN 49 5.439 5.931 -8.594 368 HD22 ASN 49 2HD2 ASN 49 6.723 6.439 -9.609 369 H GLY 50 H GLY 50 2.001 1.873 -10.379 370 HA2 GLY 50 2HA GLY 50 1.633 0.540 -12.269 371 HA3 GLY 50 1HA GLY 50 3.322 0.747 -12.716 372 H LYS 51 H LYS 51 3.227 0.134 -9.465 373 HA LYS 51 HA LYS 51 3.606 -2.722 -9.954 374 HB2 LYS 51 2HB LYS 51 4.997 -1.050 -7.861 375 HB3 LYS 51 1HB LYS 51 5.146 -2.785 -8.038 376 HG2 LYS 51 2HG LYS 51 7.051 -2.020 -8.993 377 HG3 LYS 51 1HG LYS 51 6.017 -2.252 -10.389 378 HD2 LYS 51 2HD LYS 51 5.422 0.152 -10.357 379 HD3 LYS 51 1HD LYS 51 6.532 0.390 -9.008 380 HE2 LYS 51 2HE LYS 51 8.398 -0.307 -10.427 381 HE3 LYS 51 1HE LYS 51 7.283 -0.572 -11.765 382 HZ1 LYS 51 3HZ LYS 51 8.306 1.558 -12.022 383 HZ2 LYS 51 1HZ LYS 51 7.874 2.037 -10.459 384 HZ3 LYS 51 2HZ LYS 51 6.696 1.795 -11.641 385 H GLU 52 H GLU 52 2.390 -3.977 -8.974 386 HA GLU 52 HA GLU 52 0.989 -3.004 -6.606 387 HB2 GLU 52 2HB GLU 52 -0.846 -4.632 -7.075 388 HB3 GLU 52 1HB GLU 52 -0.737 -3.372 -8.276 389 HG2 GLU 52 2HG GLU 52 0.370 -4.920 -9.792 390 HG3 GLU 52 1HG GLU 52 0.274 -6.188 -8.569 391 H GLY 53 H GLY 53 1.672 -3.776 -4.880 392 HA2 GLY 53 2HA GLY 53 2.438 -6.572 -4.718 393 HA3 GLY 53 1HA GLY 53 3.670 -5.371 -4.332 394 H VAL 54 H VAL 54 3.574 -6.461 -2.246 395 HA VAL 54 HA VAL 54 1.280 -5.539 -0.679 396 HB VAL 54 HB VAL 54 1.690 -7.391 0.890 397 HG11 VAL 54 1HG1 VAL 54 0.929 -9.247 -0.514 398 HG12 VAL 54 2HG1 VAL 54 1.370 -8.327 -1.954 399 HG13 VAL 54 3HG1 VAL 54 0.086 -7.744 -0.896 400 HG21 VAL 54 3HG2 VAL 54 3.787 -8.305 -1.086 401 HG22 VAL 54 1HG2 VAL 54 3.227 -9.228 0.310 402 HG23 VAL 54 2HG2 VAL 54 4.091 -7.707 0.544 403 H PHE 55 H PHE 55 1.653 -4.790 1.376 404 HA PHE 55 HA PHE 55 4.340 -4.295 2.260 405 HD1 PHE 55 1HD PHE 55 1.788 -2.393 -0.507 406 HD2 PHE 55 2HD PHE 55 2.179 -0.809 3.427 407 HE1 PHE 55 1HE PHE 55 -0.334 -1.187 -0.780 408 HE2 PHE 55 2HE PHE 55 0.056 0.400 3.156 409 HZ PHE 55 HZ PHE 55 -1.206 0.211 1.051 410 HB2 PHE 55 2HB PHE 55 4.084 -1.847 2.300 411 HB3 PHE 55 1HB PHE 55 3.909 -2.483 0.663 412 HA PRO 56 HA PRO 56 2.080 -4.562 6.139 413 HB2 PRO 56 2HB PRO 56 4.064 -2.701 7.309 414 HB3 PRO 56 1HB PRO 56 3.697 -4.367 7.758 415 HG2 PRO 56 2HG PRO 56 5.988 -3.760 6.515 416 HG3 PRO 56 1HG PRO 56 5.118 -5.259 6.162 417 HD2 PRO 56 2HD PRO 56 5.175 -2.700 4.601 418 HD3 PRO 56 1HD PRO 56 5.286 -4.383 4.030 419 H ASP 57 H ASP 57 0.350 -3.446 6.814 420 HA ASP 57 HA ASP 57 -0.272 -0.928 5.659 421 HB2 ASP 57 2HB ASP 57 -2.415 -1.085 6.674 422 HB3 ASP 57 1HB ASP 57 -1.952 -2.719 6.234 423 H ASN 58 H ASN 58 1.496 -1.597 8.346 424 HA ASN 58 HA ASN 58 0.767 0.516 10.114 425 HB2 ASN 58 2HB ASN 58 3.362 -1.024 9.883 426 HB3 ASN 58 1HB ASN 58 3.013 0.127 11.165 427 HD21 ASN 58 1HD2 ASN 58 3.581 -2.743 11.282 428 HD22 ASN 58 2HD2 ASN 58 2.232 -3.447 12.083 429 H PHE 59 H PHE 59 2.471 0.519 7.176 430 HA PHE 59 HA PHE 59 3.985 2.932 7.801 431 HD1 PHE 59 2HD PHE 59 4.487 -0.704 6.780 432 HD2 PHE 59 1HD PHE 59 6.907 2.768 6.411 433 HE1 PHE 59 2HE PHE 59 6.413 -1.954 7.668 434 HE2 PHE 59 1HE PHE 59 8.832 1.529 7.291 435 HZ PHE 59 HZ PHE 59 8.590 -0.838 7.921 436 HB2 PHE 59 2HB PHE 59 3.862 1.220 5.322 437 HB3 PHE 59 1HB PHE 59 4.779 2.715 5.419 438 H ALA 60 H ALA 60 0.839 2.377 6.934 439 HA ALA 60 HA ALA 60 0.758 4.865 5.405 440 HB1 ALA 60 1HB ALA 60 0.751 3.021 3.793 441 HB2 ALA 60 2HB ALA 60 -0.768 3.917 3.783 442 HB3 ALA 60 3HB ALA 60 -0.677 2.348 4.580 443 H VAL 61 H VAL 61 -1.349 5.770 5.222 444 HA VAL 61 HA VAL 61 -3.269 4.953 7.267 445 HB VAL 61 HB VAL 61 -2.070 7.070 7.955 446 HG11 VAL 61 1HG1 VAL 61 -1.557 8.010 5.798 447 HG12 VAL 61 2HG1 VAL 61 -2.486 9.170 6.749 448 HG13 VAL 61 3HG1 VAL 61 -3.269 8.257 5.461 449 HG21 VAL 61 3HG2 VAL 61 -4.988 7.435 7.286 450 HG22 VAL 61 1HG2 VAL 61 -4.081 8.419 8.436 451 HG23 VAL 61 2HG2 VAL 61 -4.332 6.703 8.750 452 H GLN 62 H GLN 62 -5.438 5.105 6.495 453 HA GLN 62 HA GLN 62 -5.427 5.023 3.624 454 HB2 GLN 62 2HB GLN 62 -6.533 3.279 5.126 455 HB3 GLN 62 1HB GLN 62 -7.822 4.460 5.343 456 HG2 GLN 62 2HG GLN 62 -8.249 4.500 2.992 457 HG3 GLN 62 1HG GLN 62 -6.871 3.452 2.687 458 HE21 GLN 62 1HE2 GLN 62 -9.576 3.102 1.969 459 HE22 GLN 62 2HE2 GLN 62 -10.058 1.599 2.664 460 H ILE 63 H ILE 63 -6.727 6.227 2.277 461 HA ILE 63 HA ILE 63 -7.450 8.876 3.343 462 HB ILE 63 HB ILE 63 -7.003 8.000 0.475 463 HG12 ILE 63 2HG1 ILE 63 -4.952 7.801 1.734 464 HG13 ILE 63 1HG1 ILE 63 -4.842 9.123 0.582 465 HG21 ILE 63 1HG2 ILE 63 -7.261 10.761 1.658 466 HG22 ILE 63 2HG2 ILE 63 -8.428 9.951 0.610 467 HG23 ILE 63 3HG2 ILE 63 -6.847 10.408 -0.019 468 HD11 ILE 63 3HD1 ILE 63 -5.267 10.723 2.424 469 HD12 ILE 63 1HD1 ILE 63 -3.813 9.761 2.698 470 HD13 ILE 63 2HD1 ILE 63 -5.297 9.369 3.557 471 H SER 64 H SER 64 -8.541 6.241 1.255 472 HA SER 64 HA SER 64 -11.279 7.079 1.635 473 HG SER 64 HG SER 64 -12.174 6.260 -1.575 474 HB2 SER 64 2HB SER 64 -10.275 7.884 -0.630 475 HB3 SER 64 1HB SER 64 -10.150 6.175 -1.029 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -11.507 -2.335 -4.862 2 H2 GLY 1 2HT GLY 1 -10.007 -3.023 -5.096 3 H3 GLY 1 3HT GLY 1 -10.168 -1.329 -5.117 4 HA2 GLY 1 1HA GLY 1 -9.207 -2.080 -3.036 5 HA3 GLY 1 2HA GLY 1 -10.816 -1.403 -2.777 6 H ALA 2 H ALA 2 -10.737 -2.749 -0.808 7 HA ALA 2 HA ALA 2 -11.543 -5.500 -1.489 8 HB1 ALA 2 1HB ALA 2 -10.034 -4.611 0.964 9 HB2 ALA 2 2HB ALA 2 -9.371 -5.531 -0.387 10 HB3 ALA 2 3HB ALA 2 -10.608 -6.246 0.648 11 H MET 3 H MET 3 -11.904 -2.726 0.650 12 HA MET 3 HA MET 3 -14.470 -3.865 1.504 13 HB2 MET 3 2HB MET 3 -12.713 -1.863 2.954 14 HB3 MET 3 1HB MET 3 -14.294 -2.415 3.493 15 HG2 MET 3 2HG MET 3 -11.866 -4.157 3.149 16 HG3 MET 3 1HG MET 3 -12.476 -3.533 4.683 17 HE1 MET 3 3HE MET 3 -12.485 -6.103 5.606 18 HE2 MET 3 1HE MET 3 -11.879 -6.617 4.028 19 HE3 MET 3 2HE MET 3 -13.284 -7.411 4.739 20 H GLY 4 H GLY 4 -13.252 -1.896 -0.609 21 HA2 GLY 4 2HA GLY 4 -15.654 -0.342 -0.863 22 HA3 GLY 4 1HA GLY 4 -14.202 0.604 -0.535 23 H ALA 5 H ALA 5 -15.559 0.955 -2.857 24 HA ALA 5 HA ALA 5 -14.404 -0.579 -4.981 25 HB1 ALA 5 1HB ALA 5 -16.610 0.434 -5.206 26 HB2 ALA 5 2HB ALA 5 -15.514 1.028 -6.454 27 HB3 ALA 5 3HB ALA 5 -15.899 2.039 -5.062 28 H LYS 6 H LYS 6 -13.584 2.291 -3.263 29 HA LYS 6 HA LYS 6 -11.156 2.452 -4.795 30 HB2 LYS 6 2HB LYS 6 -11.340 4.931 -5.050 31 HB3 LYS 6 1HB LYS 6 -12.513 4.035 -5.994 32 HG2 LYS 6 2HG LYS 6 -14.214 4.516 -4.264 33 HG3 LYS 6 1HG LYS 6 -13.018 5.493 -3.413 34 HD2 LYS 6 2HD LYS 6 -12.801 6.914 -5.410 35 HD3 LYS 6 1HD LYS 6 -14.055 5.953 -6.202 36 HE2 LYS 6 2HE LYS 6 -15.575 6.533 -4.323 37 HE3 LYS 6 1HE LYS 6 -14.336 7.624 -3.719 38 HZ1 LYS 6 3HZ LYS 6 -16.004 8.763 -5.038 39 HZ2 LYS 6 1HZ LYS 6 -15.657 7.804 -6.365 40 HZ3 LYS 6 2HZ LYS 6 -14.495 8.888 -5.786 41 H GLU 7 H GLU 7 -10.006 1.797 -3.135 42 HA GLU 7 HA GLU 7 -10.120 3.433 -0.727 43 HB2 GLU 7 2HB GLU 7 -9.103 0.599 -1.072 44 HB3 GLU 7 1HB GLU 7 -9.013 1.520 0.426 45 HG2 GLU 7 2HG GLU 7 -11.504 1.670 0.397 46 HG3 GLU 7 1HG GLU 7 -11.504 0.596 -0.997 47 H TYR 8 H TYR 8 -8.383 4.523 -0.138 48 HA TYR 8 HA TYR 8 -5.899 4.105 -1.686 49 HD1 TYR 8 2HD TYR 8 -5.920 5.298 -4.244 50 HD2 TYR 8 1HD TYR 8 -9.026 7.167 -2.030 51 HE1 TYR 8 2HE TYR 8 -7.295 5.421 -6.277 52 HE2 TYR 8 1HE TYR 8 -10.407 7.291 -4.047 53 HH TYR 8 HH TYR 8 -9.997 7.363 -6.477 54 HB2 TYR 8 2HB TYR 8 -6.902 6.887 -1.034 55 HB3 TYR 8 1HB TYR 8 -5.534 6.429 -2.007 56 H CYS 9 H CYS 9 -4.108 4.240 -0.492 57 HA CYS 9 HA CYS 9 -4.417 5.276 2.207 58 HG CYS 9 HG CYS 9 -1.561 1.774 1.359 59 HB2 CYS 9 2HB CYS 9 -2.617 3.578 2.825 60 HB3 CYS 9 1HB CYS 9 -4.227 2.950 2.520 61 H ARG 10 H ARG 10 -2.967 6.673 2.891 62 HA ARG 10 HA ARG 10 -1.042 7.593 0.890 63 HE ARG 10 HE ARG 10 -0.756 12.567 0.749 64 HB2 ARG 10 2HB ARG 10 -2.771 9.166 1.887 65 HB3 ARG 10 1HB ARG 10 -1.910 9.004 3.409 66 HG2 ARG 10 2HG ARG 10 0.107 9.902 2.361 67 HG3 ARG 10 1HG ARG 10 -0.762 10.100 0.843 68 HD2 ARG 10 2HD ARG 10 -2.415 11.516 2.169 69 HD3 ARG 10 1HD ARG 10 -1.202 11.503 3.451 70 HH11 ARG 10 1HH1 ARG 10 -0.033 12.679 4.205 71 HH12 ARG 10 2HH1 ARG 10 0.797 14.156 4.136 72 HH21 ARG 10 1HH2 ARG 10 0.363 14.578 0.634 73 HH22 ARG 10 2HH2 ARG 10 1.046 15.277 2.011 74 H THR 11 H THR 11 1.014 7.345 1.247 75 HA THR 11 HA THR 11 2.083 5.700 3.247 76 HB THR 11 HB THR 11 4.239 6.550 2.314 77 HG1 THR 11 1HG THR 11 2.811 8.601 1.930 78 HG21 THR 11 3HG2 THR 11 3.840 5.798 0.005 79 HG22 THR 11 1HG2 THR 11 2.102 5.979 0.243 80 HG23 THR 11 2HG2 THR 11 2.996 4.752 1.148 81 H LEU 12 H LEU 12 2.674 6.207 5.310 82 HA LEU 12 HA LEU 12 2.737 9.036 6.068 83 HG LEU 12 HG LEU 12 0.585 6.927 6.796 84 HB2 LEU 12 2HB LEU 12 2.838 6.525 7.739 85 HB3 LEU 12 1HB LEU 12 2.835 8.147 8.386 86 HD11 LEU 12 1HD1 LEU 12 0.899 7.378 9.772 87 HD12 LEU 12 2HD1 LEU 12 0.871 5.813 8.959 88 HD13 LEU 12 3HD1 LEU 12 -0.572 6.825 8.973 89 HD21 LEU 12 3HD2 LEU 12 0.804 9.504 8.356 90 HD22 LEU 12 1HD2 LEU 12 -0.674 8.872 7.628 91 HD23 LEU 12 2HD2 LEU 12 0.678 9.339 6.603 92 H PHE 13 H PHE 13 4.720 6.392 5.334 93 HA PHE 13 HA PHE 13 7.179 7.770 5.946 94 HD1 PHE 13 2HD PHE 13 8.283 7.815 8.610 95 HD2 PHE 13 1HD PHE 13 4.874 5.268 8.617 96 HE1 PHE 13 2HE PHE 13 7.605 8.722 10.793 97 HE2 PHE 13 1HE PHE 13 4.195 6.171 10.792 98 HZ PHE 13 HZ PHE 13 5.557 7.899 11.885 99 HB2 PHE 13 2HB PHE 13 6.530 4.989 7.010 100 HB3 PHE 13 1HB PHE 13 8.092 5.778 7.130 101 HA PRO 14 HA PRO 14 7.915 5.320 2.305 102 HB2 PRO 14 2HB PRO 14 10.576 5.267 2.138 103 HB3 PRO 14 1HB PRO 14 9.703 6.793 2.004 104 HG2 PRO 14 2HG PRO 14 11.191 5.682 4.345 105 HG3 PRO 14 1HG PRO 14 11.129 7.345 3.747 106 HD2 PRO 14 2HD PRO 14 9.626 6.344 5.845 107 HD3 PRO 14 1HD PRO 14 9.234 7.812 4.932 108 H TYR 15 H TYR 15 8.897 3.254 1.589 109 HA TYR 15 HA TYR 15 9.853 1.458 3.653 110 HD1 TYR 15 1HD TYR 15 8.698 -0.423 5.297 111 HD2 TYR 15 2HD TYR 15 7.358 -1.292 1.358 112 HE1 TYR 15 1HE TYR 15 8.801 -2.826 5.794 113 HE2 TYR 15 2HE TYR 15 7.472 -3.698 1.841 114 HH TYR 15 HH TYR 15 8.457 -5.283 3.371 115 HB2 TYR 15 2HB TYR 15 7.414 1.255 3.846 116 HB3 TYR 15 1HB TYR 15 7.293 0.928 2.128 117 H THR 16 H THR 16 11.321 0.132 2.814 118 HA THR 16 HA THR 16 11.635 0.160 -0.063 119 HB THR 16 HB THR 16 13.550 -0.815 2.072 120 HG1 THR 16 1HG THR 16 12.803 1.563 1.769 121 HG21 THR 16 3HG2 THR 16 15.224 -0.586 0.290 122 HG22 THR 16 1HG2 THR 16 13.962 -0.091 -0.837 123 HG23 THR 16 2HG2 THR 16 13.962 -1.729 -0.183 124 H GLY 17 H GLY 17 10.824 -1.533 -1.139 125 HA2 GLY 17 2HA GLY 17 10.223 -3.985 0.193 126 HA3 GLY 17 1HA GLY 17 10.015 -3.621 -1.526 127 H THR 18 H THR 18 11.525 -5.653 0.332 128 HA THR 18 HA THR 18 14.062 -5.465 -1.097 129 HB THR 18 HB THR 18 14.219 -5.521 1.404 130 HG1 THR 18 1HG THR 18 15.395 -7.457 -0.221 131 HG21 THR 18 3HG2 THR 18 12.272 -6.932 1.881 132 HG22 THR 18 1HG2 THR 18 13.727 -7.603 2.624 133 HG23 THR 18 2HG2 THR 18 13.083 -8.312 1.144 134 H ASN 19 H ASN 19 11.223 -6.581 -1.545 135 HA ASN 19 HA ASN 19 12.073 -8.988 -2.966 136 HB2 ASN 19 2HB ASN 19 9.387 -8.473 -1.640 137 HB3 ASN 19 1HB ASN 19 9.755 -9.858 -2.652 138 HD21 ASN 19 1HD2 ASN 19 10.239 -8.347 0.460 139 HD22 ASN 19 2HD2 ASN 19 10.856 -9.746 1.240 140 H GLU 20 H GLU 20 10.947 -9.211 -4.988 141 HA GLU 20 HA GLU 20 10.713 -6.763 -6.346 142 HB2 GLU 20 2HB GLU 20 9.939 -8.149 -8.284 143 HB3 GLU 20 1HB GLU 20 11.462 -8.660 -7.574 144 HG2 GLU 20 2HG GLU 20 10.357 -10.474 -6.421 145 HG3 GLU 20 1HG GLU 20 8.793 -9.908 -6.994 146 H ASP 21 H ASP 21 8.229 -8.965 -5.144 147 HA ASP 21 HA ASP 21 6.190 -7.152 -6.144 148 HB2 ASP 21 2HB ASP 21 4.585 -8.966 -5.565 149 HB3 ASP 21 1HB ASP 21 5.806 -9.451 -6.731 150 H GLU 22 H GLU 22 7.981 -6.957 -3.689 151 HA GLU 22 HA GLU 22 5.886 -6.346 -1.759 152 HB2 GLU 22 2HB GLU 22 7.802 -7.576 -0.893 153 HB3 GLU 22 1HB GLU 22 8.914 -6.389 -1.562 154 HG2 GLU 22 2HG GLU 22 8.106 -4.747 0.023 155 HG3 GLU 22 1HG GLU 22 6.926 -5.908 0.644 156 H LEU 23 H LEU 23 5.374 -4.227 -1.412 157 HA LEU 23 HA LEU 23 5.972 -2.584 -3.686 158 HG LEU 23 HG LEU 23 3.515 -1.827 -4.293 159 HB2 LEU 23 2HB LEU 23 3.778 -2.883 -2.152 160 HB3 LEU 23 1HB LEU 23 4.443 -1.428 -1.442 161 HD11 LEU 23 1HD1 LEU 23 2.558 -0.025 -2.094 162 HD12 LEU 23 2HD1 LEU 23 1.751 -1.465 -2.713 163 HD13 LEU 23 3HD1 LEU 23 1.948 -0.051 -3.747 164 HD21 LEU 23 3HD2 LEU 23 4.775 0.661 -3.126 165 HD22 LEU 23 1HD2 LEU 23 4.124 0.469 -4.752 166 HD23 LEU 23 2HD2 LEU 23 5.562 -0.428 -4.268 167 H THR 24 H THR 24 7.607 -1.262 -3.828 168 HA THR 24 HA THR 24 8.856 -0.141 -1.442 169 HB THR 24 HB THR 24 9.613 0.057 -4.375 170 HG1 THR 24 1HG THR 24 9.749 -2.035 -3.538 171 HG21 THR 24 3HG2 THR 24 11.193 0.761 -1.885 172 HG22 THR 24 1HG2 THR 24 10.519 1.910 -3.037 173 HG23 THR 24 2HG2 THR 24 11.812 0.818 -3.535 174 H PHE 25 H PHE 25 8.155 1.803 -0.795 175 HA PHE 25 HA PHE 25 7.207 3.638 -2.806 176 HD1 PHE 25 1HD PHE 25 5.917 4.479 1.113 177 HD2 PHE 25 2HD PHE 25 4.763 0.873 -0.814 178 HE1 PHE 25 1HE PHE 25 5.301 3.516 3.287 179 HE2 PHE 25 2HE PHE 25 4.152 -0.095 1.339 180 HZ PHE 25 HZ PHE 25 4.413 1.221 3.405 181 HB2 PHE 25 2HB PHE 25 5.294 4.337 -1.346 182 HB3 PHE 25 1HB PHE 25 5.162 2.755 -2.083 183 H ARG 26 H ARG 26 6.930 5.822 -2.067 184 HA ARG 26 HA ARG 26 9.179 6.592 -0.356 185 HE ARG 26 HE ARG 26 10.790 7.641 -5.445 186 HB2 ARG 26 2HB ARG 26 7.517 8.195 -2.300 187 HB3 ARG 26 1HB ARG 26 9.004 8.716 -1.524 188 HG2 ARG 26 2HG ARG 26 10.293 7.182 -2.790 189 HG3 ARG 26 1HG ARG 26 8.843 6.369 -3.385 190 HD2 ARG 26 2HD ARG 26 8.175 8.504 -4.468 191 HD3 ARG 26 1HD ARG 26 9.745 9.166 -4.007 192 HH11 ARG 26 1HH1 ARG 26 7.271 7.355 -5.625 193 HH12 ARG 26 2HH1 ARG 26 7.216 6.911 -7.257 194 HH21 ARG 26 1HH2 ARG 26 10.754 6.939 -7.684 195 HH22 ARG 26 2HH2 ARG 26 9.271 6.681 -8.483 196 H GLU 27 H GLU 27 8.641 8.750 0.785 197 HA GLU 27 HA GLU 27 6.145 8.417 2.218 198 HB2 GLU 27 2HB GLU 27 8.352 8.765 3.362 199 HB3 GLU 27 1HB GLU 27 8.389 10.369 2.659 200 HG2 GLU 27 2HG GLU 27 6.332 10.936 3.861 201 HG3 GLU 27 1HG GLU 27 6.347 9.338 4.606 202 H GLY 28 H GLY 28 4.483 9.351 1.235 203 HA2 GLY 28 2HA GLY 28 3.436 11.609 1.104 204 HA3 GLY 28 1HA GLY 28 4.853 12.088 0.184 205 H GLU 29 H GLU 29 3.339 8.954 -0.311 206 HA GLU 29 HA GLU 29 2.282 9.996 -2.819 207 HB2 GLU 29 2HB GLU 29 3.549 7.295 -2.340 208 HB3 GLU 29 1HB GLU 29 2.686 7.739 -3.800 209 HG2 GLU 29 2HG GLU 29 4.350 9.602 -4.089 210 HG3 GLU 29 1HG GLU 29 5.270 8.881 -2.772 211 H ILE 30 H ILE 30 0.494 8.829 -3.688 212 HA ILE 30 HA ILE 30 -1.303 7.816 -1.610 213 HB ILE 30 HB ILE 30 -1.883 8.843 -4.407 214 HG12 ILE 30 2HG1 ILE 30 -1.301 10.610 -2.781 215 HG13 ILE 30 1HG1 ILE 30 -2.975 10.720 -3.324 216 HG21 ILE 30 1HG2 ILE 30 -4.266 8.641 -3.848 217 HG22 ILE 30 2HG2 ILE 30 -3.835 7.889 -2.313 218 HG23 ILE 30 3HG2 ILE 30 -3.453 7.072 -3.827 219 HD11 ILE 30 3HD1 ILE 30 -2.768 11.169 -0.936 220 HD12 ILE 30 1HD1 ILE 30 -2.040 9.581 -0.695 221 HD13 ILE 30 2HD1 ILE 30 -3.713 9.712 -1.229 222 H ILE 31 H ILE 31 -1.494 5.711 -1.520 223 HA ILE 31 HA ILE 31 -0.687 4.091 -3.814 224 HB ILE 31 HB ILE 31 -1.384 3.243 -0.977 225 HG12 ILE 31 2HG1 ILE 31 1.325 3.453 -2.280 226 HG13 ILE 31 1HG1 ILE 31 0.704 4.599 -1.093 227 HG21 ILE 31 1HG2 ILE 31 -1.773 1.465 -2.595 228 HG22 ILE 31 2HG2 ILE 31 -0.375 1.086 -1.589 229 HG23 ILE 31 3HG2 ILE 31 -0.142 1.666 -3.238 230 HD11 ILE 31 3HD1 ILE 31 0.642 2.801 0.574 231 HD12 ILE 31 1HD1 ILE 31 2.264 3.026 -0.084 232 HD13 ILE 31 2HD1 ILE 31 1.271 1.674 -0.628 233 H HIS 32 H HIS 32 -2.198 2.989 -4.960 234 HA HIS 32 HA HIS 32 -4.964 3.390 -4.165 235 HD1 HIS 32 1HD HIS 32 -6.332 4.154 -7.792 236 HD2 HIS 32 2HD HIS 32 -6.519 0.576 -5.702 237 HE1 HIS 32 1HE HIS 32 -8.642 3.243 -8.167 238 HB2 HIS 32 2HB HIS 32 -4.196 3.668 -6.586 239 HB3 HIS 32 1HB HIS 32 -3.881 1.938 -6.605 240 H LEU 33 H LEU 33 -5.681 2.015 -2.753 241 HA LEU 33 HA LEU 33 -4.301 -0.381 -2.140 242 HG LEU 33 HG LEU 33 -5.164 -1.374 0.152 243 HB2 LEU 33 2HB LEU 33 -5.426 1.083 -0.476 244 HB3 LEU 33 1HB LEU 33 -6.968 0.671 -1.176 245 HD11 LEU 33 1HD1 LEU 33 -5.735 0.420 1.712 246 HD12 LEU 33 2HD1 LEU 33 -6.550 -1.085 2.119 247 HD13 LEU 33 3HD1 LEU 33 -7.443 0.212 1.325 248 HD21 LEU 33 3HD2 LEU 33 -6.987 -2.170 -1.379 249 HD22 LEU 33 1HD2 LEU 33 -8.156 -1.405 -0.314 250 HD23 LEU 33 2HD2 LEU 33 -7.136 -2.738 0.268 251 H ILE 34 H ILE 34 -4.514 -2.165 -3.143 252 HA ILE 34 HA ILE 34 -6.747 -2.546 -4.965 253 HB ILE 34 HB ILE 34 -4.208 -4.161 -4.624 254 HG12 ILE 34 2HG1 ILE 34 -3.716 -1.917 -5.469 255 HG13 ILE 34 1HG1 ILE 34 -3.462 -3.119 -6.727 256 HG21 ILE 34 1HG2 ILE 34 -6.308 -4.293 -6.780 257 HG22 ILE 34 2HG2 ILE 34 -6.012 -5.501 -5.531 258 HG23 ILE 34 3HG2 ILE 34 -4.788 -5.190 -6.765 259 HD11 ILE 34 3HD1 ILE 34 -5.848 -1.298 -6.465 260 HD12 ILE 34 1HD1 ILE 34 -5.610 -2.506 -7.726 261 HD13 ILE 34 2HD1 ILE 34 -4.522 -1.123 -7.612 262 H SER 35 H SER 35 -5.160 -4.046 -2.159 263 HA SER 35 HA SER 35 -7.654 -5.318 -1.547 264 HG SER 35 HG SER 35 -7.611 -8.232 -1.868 265 HB2 SER 35 2HB SER 35 -6.589 -6.927 -3.104 266 HB3 SER 35 1HB SER 35 -5.207 -7.023 -2.020 267 H LYS 36 H LYS 36 -7.838 -5.874 0.552 268 HA LYS 36 HA LYS 36 -5.672 -5.156 2.390 269 HB2 LYS 36 2HB LYS 36 -8.672 -5.340 2.692 270 HB3 LYS 36 1HB LYS 36 -7.618 -5.376 4.095 271 HG2 LYS 36 2HG LYS 36 -6.827 -3.183 3.658 272 HG3 LYS 36 1HG LYS 36 -7.622 -3.108 2.096 273 HD2 LYS 36 2HD LYS 36 -9.796 -3.124 3.162 274 HD3 LYS 36 1HD LYS 36 -9.050 -3.391 4.738 275 HE2 LYS 36 2HE LYS 36 -7.988 -1.223 4.659 276 HE3 LYS 36 1HE LYS 36 -8.533 -0.991 3.003 277 HZ1 LYS 36 3HZ LYS 36 -10.452 -1.262 5.270 278 HZ2 LYS 36 1HZ LYS 36 -10.729 -0.713 3.692 279 HZ3 LYS 36 2HZ LYS 36 -9.815 0.199 4.778 280 H GLU 37 H GLU 37 -6.875 -7.759 0.786 281 HA GLU 37 HA GLU 37 -6.436 -9.577 3.019 282 HB2 GLU 37 2HB GLU 37 -8.284 -9.795 0.673 283 HB3 GLU 37 1HB GLU 37 -7.838 -11.181 1.658 284 HG2 GLU 37 2HG GLU 37 -9.172 -8.683 2.653 285 HG3 GLU 37 1HG GLU 37 -9.975 -10.225 2.305 286 H THR 38 H THR 38 -4.452 -10.168 2.819 287 HA THR 38 HA THR 38 -3.498 -11.237 0.236 288 HB THR 38 HB THR 38 -1.233 -10.823 1.288 289 HG1 THR 38 1HG THR 38 -2.221 -8.882 2.963 290 HG21 THR 38 3HG2 THR 38 -2.155 -9.302 -0.428 291 HG22 THR 38 1HG2 THR 38 -1.240 -8.405 0.785 292 HG23 THR 38 2HG2 THR 38 -3.005 -8.404 0.829 293 H GLY 39 H GLY 39 -4.896 -12.188 2.891 294 HA2 GLY 39 2HA GLY 39 -5.059 -14.437 3.588 295 HA3 GLY 39 1HA GLY 39 -3.399 -14.693 3.055 296 H GLU 40 H GLU 40 -2.759 -12.048 4.366 297 HA GLU 40 HA GLU 40 -2.633 -13.014 7.126 298 HB2 GLU 40 2HB GLU 40 -0.467 -11.647 5.539 299 HB3 GLU 40 1HB GLU 40 -0.371 -12.050 7.250 300 HG2 GLU 40 2HG GLU 40 -0.515 -14.420 6.699 301 HG3 GLU 40 1HG GLU 40 -0.636 -14.018 4.987 302 H ALA 41 H ALA 41 -2.884 -11.486 8.660 303 HA ALA 41 HA ALA 41 -4.101 -9.019 7.865 304 HB1 ALA 41 1HB ALA 41 -4.441 -8.675 10.266 305 HB2 ALA 41 2HB ALA 41 -3.447 -10.095 10.610 306 HB3 ALA 41 3HB ALA 41 -4.984 -10.277 9.768 307 H GLY 42 H GLY 42 -3.100 -7.151 7.650 308 HA2 GLY 42 2HA GLY 42 -1.552 -5.531 8.587 309 HA3 GLY 42 1HA GLY 42 -0.434 -6.866 8.876 310 H TRP 43 H TRP 43 -1.340 -7.938 6.190 311 HA TRP 43 HA TRP 43 0.501 -6.269 4.673 312 HD1 TRP 43 HD TRP 43 0.879 -10.138 6.310 313 HE1 TRP 43 1HE TRP 43 3.353 -10.289 6.970 314 HE3 TRP 43 3HE TRP 43 2.780 -6.822 2.950 315 HZ2 TRP 43 2HZ TRP 43 5.809 -9.109 6.175 316 HZ3 TRP 43 3HZ TRP 43 5.194 -6.375 2.961 317 HH2 TRP 43 HH TRP 43 6.669 -7.485 4.529 318 HB2 TRP 43 2HB TRP 43 -0.368 -9.122 4.246 319 HB3 TRP 43 1HB TRP 43 0.589 -8.213 3.088 320 H TRP 44 H TRP 44 -0.341 -4.908 3.396 321 HA TRP 44 HA TRP 44 -2.925 -5.497 2.160 322 HD1 TRP 44 HD TRP 44 -3.709 -5.395 4.279 323 HE1 TRP 44 1HE TRP 44 -5.366 -4.388 5.951 324 HE3 TRP 44 3HE TRP 44 -3.216 -0.476 3.006 325 HZ2 TRP 44 2HZ TRP 44 -6.339 -1.835 6.634 326 HZ3 TRP 44 3HZ TRP 44 -4.554 1.190 4.222 327 HH2 TRP 44 HH TRP 44 -6.085 0.518 5.996 328 HB2 TRP 44 2HB TRP 44 -1.563 -2.902 2.829 329 HB3 TRP 44 1HB TRP 44 -2.875 -2.993 1.661 330 H LYS 45 H LYS 45 -3.170 -4.906 -0.003 331 HA LYS 45 HA LYS 45 -0.667 -4.957 -1.535 332 HB2 LYS 45 2HB LYS 45 -1.905 -6.984 -1.974 333 HB3 LYS 45 1HB LYS 45 -3.411 -6.089 -2.119 334 HG2 LYS 45 2HG LYS 45 -2.388 -4.965 -4.159 335 HG3 LYS 45 1HG LYS 45 -1.115 -6.174 -4.054 336 HD2 LYS 45 2HD LYS 45 -3.998 -7.003 -4.112 337 HD3 LYS 45 1HD LYS 45 -3.142 -6.620 -5.598 338 HE2 LYS 45 2HE LYS 45 -2.176 -8.652 -3.594 339 HE3 LYS 45 1HE LYS 45 -3.201 -9.048 -4.977 340 HZ1 LYS 45 3HZ LYS 45 -1.491 -8.050 -6.408 341 HZ2 LYS 45 1HZ LYS 45 -0.953 -9.424 -5.592 342 HZ3 LYS 45 2HZ LYS 45 -0.474 -7.892 -5.070 343 H GLY 46 H GLY 46 -0.373 -3.262 -2.795 344 HA2 GLY 46 2HA GLY 46 -2.651 -1.638 -3.565 345 HA3 GLY 46 1HA GLY 46 -1.362 -0.863 -2.647 346 H GLU 47 H GLU 47 -2.101 -0.167 -5.233 347 HA GLU 47 HA GLU 47 0.305 -1.011 -6.660 348 HB2 GLU 47 2HB GLU 47 -1.854 -1.644 -7.772 349 HB3 GLU 47 1HB GLU 47 -2.277 0.052 -7.840 350 HG2 GLU 47 2HG GLU 47 0.214 -0.973 -9.163 351 HG3 GLU 47 1HG GLU 47 -1.349 -1.111 -9.954 352 H LEU 48 H LEU 48 1.773 0.388 -6.885 353 HA LEU 48 HA LEU 48 1.137 3.177 -7.047 354 HG LEU 48 HG LEU 48 3.710 4.281 -5.925 355 HB2 LEU 48 2HB LEU 48 1.447 2.789 -4.638 356 HB3 LEU 48 1HB LEU 48 3.022 2.092 -4.952 357 HD11 LEU 48 1HD1 LEU 48 1.141 5.234 -4.728 358 HD12 LEU 48 2HD1 LEU 48 1.579 5.201 -6.440 359 HD13 LEU 48 3HD1 LEU 48 2.449 6.252 -5.324 360 HD21 LEU 48 3HD2 LEU 48 2.883 4.299 -3.031 361 HD22 LEU 48 1HD2 LEU 48 4.068 5.358 -3.787 362 HD23 LEU 48 2HD2 LEU 48 4.369 3.625 -3.705 363 H ASN 49 H ASN 49 2.380 4.070 -8.498 364 HA ASN 49 HA ASN 49 3.931 4.517 -9.998 365 HB2 ASN 49 2HB ASN 49 5.777 2.996 -8.140 366 HB3 ASN 49 1HB ASN 49 6.339 3.840 -9.578 367 HD21 ASN 49 1HD2 ASN 49 5.399 4.146 -6.319 368 HD22 ASN 49 2HD2 ASN 49 5.535 5.854 -6.161 369 H GLY 50 H GLY 50 2.382 1.882 -10.057 370 HA2 GLY 50 2HA GLY 50 2.108 1.083 -12.329 371 HA3 GLY 50 1HA GLY 50 3.855 0.971 -12.425 372 H LYS 51 H LYS 51 3.611 -0.051 -9.498 373 HA LYS 51 HA LYS 51 3.114 -2.801 -10.380 374 HB2 LYS 51 2HB LYS 51 5.122 -1.911 -8.328 375 HB3 LYS 51 1HB LYS 51 4.851 -3.568 -8.842 376 HG2 LYS 51 2HG LYS 51 6.766 -3.041 -10.027 377 HG3 LYS 51 1HG LYS 51 5.529 -2.609 -11.202 378 HD2 LYS 51 2HD LYS 51 7.114 -0.794 -11.168 379 HD3 LYS 51 1HD LYS 51 5.666 -0.258 -10.345 380 HE2 LYS 51 2HE LYS 51 7.708 0.413 -9.141 381 HE3 LYS 51 1HE LYS 51 6.672 -0.615 -8.160 382 HZ1 LYS 51 3HZ LYS 51 8.990 -1.297 -7.943 383 HZ2 LYS 51 1HZ LYS 51 9.139 -1.483 -9.607 384 HZ3 LYS 51 2HZ LYS 51 8.143 -2.500 -8.735 385 H GLU 52 H GLU 52 2.056 -4.157 -8.998 386 HA GLU 52 HA GLU 52 0.946 -2.871 -6.649 387 HB2 GLU 52 2HB GLU 52 -0.808 -4.617 -6.652 388 HB3 GLU 52 1HB GLU 52 -0.807 -3.684 -8.135 389 HG2 GLU 52 2HG GLU 52 0.208 -5.500 -9.334 390 HG3 GLU 52 1HG GLU 52 0.430 -6.410 -7.840 391 H GLY 53 H GLY 53 1.764 -3.340 -4.858 392 HA2 GLY 53 2HA GLY 53 3.144 -5.917 -4.608 393 HA3 GLY 53 1HA GLY 53 3.857 -4.424 -4.015 394 H VAL 54 H VAL 54 3.757 -6.096 -2.199 395 HA VAL 54 HA VAL 54 1.340 -5.503 -0.664 396 HB VAL 54 HB VAL 54 1.885 -7.481 0.744 397 HG11 VAL 54 1HG1 VAL 54 0.318 -7.759 -1.086 398 HG12 VAL 54 2HG1 VAL 54 1.278 -9.224 -0.868 399 HG13 VAL 54 3HG1 VAL 54 1.649 -8.115 -2.188 400 HG21 VAL 54 3HG2 VAL 54 3.562 -9.115 -0.005 401 HG22 VAL 54 1HG2 VAL 54 4.309 -7.564 0.382 402 HG23 VAL 54 2HG2 VAL 54 4.049 -8.024 -1.302 403 H PHE 55 H PHE 55 1.613 -4.825 1.439 404 HA PHE 55 HA PHE 55 4.260 -4.160 2.335 405 HD1 PHE 55 1HD PHE 55 1.582 -2.487 -0.401 406 HD2 PHE 55 2HD PHE 55 1.896 -0.793 3.491 407 HE1 PHE 55 1HE PHE 55 -0.622 -1.442 -0.682 408 HE2 PHE 55 2HE PHE 55 -0.312 0.252 3.216 409 HZ PHE 55 HZ PHE 55 -1.574 -0.076 1.125 410 HB2 PHE 55 2HB PHE 55 3.845 -1.741 2.391 411 HB3 PHE 55 1HB PHE 55 3.714 -2.388 0.748 412 HA PRO 56 HA PRO 56 2.034 -4.432 6.220 413 HB2 PRO 56 2HB PRO 56 3.969 -2.541 7.388 414 HB3 PRO 56 1HB PRO 56 3.692 -4.238 7.783 415 HG2 PRO 56 2HG PRO 56 5.928 -3.459 6.508 416 HG3 PRO 56 1HG PRO 56 5.134 -5.002 6.146 417 HD2 PRO 56 2HD PRO 56 4.973 -2.403 4.657 418 HD3 PRO 56 1HD PRO 56 5.217 -4.055 4.040 419 H ASP 57 H ASP 57 0.344 -3.395 6.857 420 HA ASP 57 HA ASP 57 -0.540 -0.995 5.718 421 HB2 ASP 57 2HB ASP 57 -2.527 -1.239 7.012 422 HB3 ASP 57 1HB ASP 57 -2.002 -2.842 6.529 423 H ASN 58 H ASN 58 1.355 -1.441 8.557 424 HA ASN 58 HA ASN 58 0.410 0.887 9.932 425 HB2 ASN 58 2HB ASN 58 2.198 0.545 11.549 426 HB3 ASN 58 1HB ASN 58 1.399 -0.980 11.196 427 HD21 ASN 58 1HD2 ASN 58 4.064 -0.365 12.266 428 HD22 ASN 58 2HD2 ASN 58 5.178 -1.184 11.233 429 H PHE 59 H PHE 59 2.131 0.756 7.195 430 HA PHE 59 HA PHE 59 3.665 3.161 7.856 431 HD1 PHE 59 1HD PHE 59 6.335 3.075 7.615 432 HD2 PHE 59 2HD PHE 59 4.707 -0.666 6.438 433 HE1 PHE 59 1HE PHE 59 8.118 1.927 8.836 434 HE2 PHE 59 2HE PHE 59 6.490 -1.827 7.676 435 HZ PHE 59 HZ PHE 59 8.197 -0.531 8.877 436 HB2 PHE 59 2HB PHE 59 3.880 1.293 5.500 437 HB3 PHE 59 1HB PHE 59 4.771 2.806 5.627 438 H ALA 60 H ALA 60 0.640 2.483 6.768 439 HA ALA 60 HA ALA 60 0.582 4.956 5.242 440 HB1 ALA 60 1HB ALA 60 -0.685 3.988 3.433 441 HB2 ALA 60 2HB ALA 60 -0.636 2.403 4.204 442 HB3 ALA 60 3HB ALA 60 0.852 3.135 3.603 443 H VAL 61 H VAL 61 -1.372 6.014 5.268 444 HA VAL 61 HA VAL 61 -3.325 4.944 7.178 445 HB VAL 61 HB VAL 61 -2.291 7.102 7.881 446 HG11 VAL 61 1HG1 VAL 61 -1.808 8.099 5.738 447 HG12 VAL 61 2HG1 VAL 61 -2.801 9.196 6.704 448 HG13 VAL 61 3HG1 VAL 61 -3.530 8.266 5.397 449 HG21 VAL 61 3HG2 VAL 61 -4.537 6.607 8.638 450 HG22 VAL 61 1HG2 VAL 61 -5.204 7.327 7.172 451 HG23 VAL 61 2HG2 VAL 61 -4.362 8.340 8.345 452 H GLN 62 H GLN 62 -5.361 4.588 6.470 453 HA GLN 62 HA GLN 62 -5.774 4.889 3.663 454 HB2 GLN 62 2HB GLN 62 -6.591 2.845 4.650 455 HB3 GLN 62 1HB GLN 62 -7.567 3.755 5.802 456 HG2 GLN 62 2HG GLN 62 -8.993 4.557 4.075 457 HG3 GLN 62 1HG GLN 62 -7.952 3.882 2.831 458 HE21 GLN 62 1HE2 GLN 62 -9.758 2.871 2.056 459 HE22 GLN 62 2HE2 GLN 62 -10.357 1.387 2.686 460 H ILE 63 H ILE 63 -6.770 6.360 2.672 461 HA ILE 63 HA ILE 63 -7.799 8.670 4.131 462 HB ILE 63 HB ILE 63 -7.377 8.268 1.157 463 HG12 ILE 63 2HG1 ILE 63 -5.240 8.045 2.318 464 HG13 ILE 63 1HG1 ILE 63 -5.283 9.539 1.397 465 HG21 ILE 63 1HG2 ILE 63 -8.932 10.040 1.632 466 HG22 ILE 63 2HG2 ILE 63 -7.412 10.725 1.045 467 HG23 ILE 63 3HG2 ILE 63 -7.796 10.778 2.765 468 HD11 ILE 63 3HD1 ILE 63 -4.225 9.884 3.553 469 HD12 ILE 63 1HD1 ILE 63 -5.660 9.275 4.379 470 HD13 ILE 63 2HD1 ILE 63 -5.743 10.779 3.466 471 H SER 64 H SER 64 -8.713 6.521 1.449 472 HA SER 64 HA SER 64 -11.513 7.009 2.037 473 HG SER 64 HG SER 64 -10.461 8.694 0.725 474 HB2 SER 64 2HB SER 64 -10.226 6.404 -0.628 475 HB3 SER 64 1HB SER 64 -11.926 6.765 -0.336 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -10.699 -1.892 -3.179 2 H2 GLY 1 2HT GLY 1 -10.723 -1.815 -1.441 3 H3 GLY 1 3HT GLY 1 -12.022 -1.287 -2.330 4 HA2 GLY 1 1HA GLY 1 -12.629 -3.421 -3.016 5 HA3 GLY 1 2HA GLY 1 -11.128 -4.074 -2.350 6 H ALA 2 H ALA 2 -12.390 -5.414 -1.028 7 HA ALA 2 HA ALA 2 -13.353 -6.086 0.874 8 HB1 ALA 2 1HB ALA 2 -12.237 -5.360 2.867 9 HB2 ALA 2 2HB ALA 2 -11.675 -3.897 2.059 10 HB3 ALA 2 3HB ALA 2 -11.080 -5.474 1.542 11 H MET 3 H MET 3 -13.240 -2.671 1.741 12 HA MET 3 HA MET 3 -15.811 -2.977 3.032 13 HB2 MET 3 2HB MET 3 -13.819 -0.716 3.098 14 HB3 MET 3 1HB MET 3 -15.321 -0.752 4.018 15 HG2 MET 3 2HG MET 3 -14.547 -2.604 5.310 16 HG3 MET 3 1HG MET 3 -13.135 -2.800 4.274 17 HE1 MET 3 3HE MET 3 -14.670 0.596 5.627 18 HE2 MET 3 1HE MET 3 -13.756 0.794 7.122 19 HE3 MET 3 2HE MET 3 -14.914 -0.530 6.960 20 H GLY 4 H GLY 4 -14.807 -2.107 0.100 21 HA2 GLY 4 2HA GLY 4 -17.297 -1.396 -0.860 22 HA3 GLY 4 1HA GLY 4 -16.557 0.122 -0.400 23 H ALA 5 H ALA 5 -15.545 1.169 -1.986 24 HA ALA 5 HA ALA 5 -15.107 -0.211 -4.496 25 HB1 ALA 5 1HB ALA 5 -16.573 1.753 -4.467 26 HB2 ALA 5 2HB ALA 5 -15.134 2.064 -5.428 27 HB3 ALA 5 3HB ALA 5 -15.265 2.728 -3.800 28 H LYS 6 H LYS 6 -13.369 1.880 -5.378 29 HA LYS 6 HA LYS 6 -10.819 0.814 -4.733 30 HB2 LYS 6 2HB LYS 6 -11.490 3.467 -6.018 31 HB3 LYS 6 1HB LYS 6 -9.896 2.732 -5.975 32 HG2 LYS 6 2HG LYS 6 -12.321 1.610 -7.375 33 HG3 LYS 6 1HG LYS 6 -10.953 2.424 -8.130 34 HD2 LYS 6 2HD LYS 6 -9.452 0.653 -7.314 35 HD3 LYS 6 1HD LYS 6 -10.834 -0.170 -6.590 36 HE2 LYS 6 2HE LYS 6 -10.274 -1.198 -8.712 37 HE3 LYS 6 1HE LYS 6 -11.845 -0.413 -8.810 38 HZ1 LYS 6 3HZ LYS 6 -9.307 0.754 -9.789 39 HZ2 LYS 6 1HZ LYS 6 -10.852 1.423 -9.982 40 HZ3 LYS 6 2HZ LYS 6 -10.438 -0.020 -10.753 41 H GLU 7 H GLU 7 -9.521 1.196 -3.136 42 HA GLU 7 HA GLU 7 -10.242 3.332 -1.290 43 HB2 GLU 7 2HB GLU 7 -8.821 0.700 -0.850 44 HB3 GLU 7 1HB GLU 7 -9.103 1.894 0.413 45 HG2 GLU 7 2HG GLU 7 -11.464 1.629 0.196 46 HG3 GLU 7 1HG GLU 7 -11.269 0.584 -1.203 47 H TYR 8 H TYR 8 -8.589 4.660 -0.457 48 HA TYR 8 HA TYR 8 -6.059 4.535 -1.943 49 HD1 TYR 8 1HD TYR 8 -9.709 6.353 -2.015 50 HD2 TYR 8 2HD TYR 8 -6.285 6.558 -4.527 51 HE1 TYR 8 1HE TYR 8 -11.167 6.317 -3.983 52 HE2 TYR 8 2HE TYR 8 -7.751 6.531 -6.513 53 HH TYR 8 HH TYR 8 -11.194 6.873 -6.205 54 HB2 TYR 8 2HB TYR 8 -7.435 7.107 -1.143 55 HB3 TYR 8 1HB TYR 8 -6.052 6.903 -2.183 56 H CYS 9 H CYS 9 -4.331 4.792 -0.708 57 HA CYS 9 HA CYS 9 -4.716 5.627 2.093 58 HG CYS 9 HG CYS 9 -5.778 2.808 2.424 59 HB2 CYS 9 2HB CYS 9 -2.675 3.610 1.158 60 HB3 CYS 9 1HB CYS 9 -3.173 3.971 2.803 61 H ARG 10 H ARG 10 -2.638 6.500 2.988 62 HA ARG 10 HA ARG 10 -0.809 7.477 0.900 63 HE ARG 10 HE ARG 10 -1.344 11.302 4.422 64 HB2 ARG 10 2HB ARG 10 -2.333 9.290 1.688 65 HB3 ARG 10 1HB ARG 10 -1.685 9.092 3.318 66 HG2 ARG 10 2HG ARG 10 0.576 9.590 2.328 67 HG3 ARG 10 1HG ARG 10 -0.261 10.029 0.839 68 HD2 ARG 10 2HD ARG 10 0.138 12.045 2.059 69 HD3 ARG 10 1HD ARG 10 -1.582 11.681 2.190 70 HH11 ARG 10 1HH1 ARG 10 1.838 11.638 2.955 71 HH12 ARG 10 2HH1 ARG 10 2.747 11.697 4.363 72 HH21 ARG 10 1HH2 ARG 10 -0.175 11.465 6.474 73 HH22 ARG 10 2HH2 ARG 10 1.515 11.624 6.481 74 H THR 11 H THR 11 1.304 7.178 1.412 75 HA THR 11 HA THR 11 1.906 5.573 3.656 76 HB THR 11 HB THR 11 4.269 5.910 2.789 77 HG1 THR 11 1HG THR 11 4.514 6.995 1.007 78 HG21 THR 11 3HG2 THR 11 2.156 4.889 0.905 79 HG22 THR 11 1HG2 THR 11 2.843 3.971 2.246 80 HG23 THR 11 2HG2 THR 11 3.860 4.439 0.888 81 H LEU 12 H LEU 12 2.898 6.054 5.503 82 HA LEU 12 HA LEU 12 3.124 8.892 6.224 83 HG LEU 12 HG LEU 12 0.984 6.574 7.003 84 HB2 LEU 12 2HB LEU 12 3.240 6.430 7.955 85 HB3 LEU 12 1HB LEU 12 3.121 8.087 8.501 86 HD11 LEU 12 1HD1 LEU 12 1.197 7.402 9.888 87 HD12 LEU 12 2HD1 LEU 12 1.273 5.755 9.258 88 HD13 LEU 12 3HD1 LEU 12 -0.221 6.680 9.135 89 HD21 LEU 12 3HD2 LEU 12 0.963 9.318 8.234 90 HD22 LEU 12 1HD2 LEU 12 -0.419 8.490 7.522 91 HD23 LEU 12 2HD2 LEU 12 0.944 8.955 6.506 92 H PHE 13 H PHE 13 4.971 6.110 5.458 93 HA PHE 13 HA PHE 13 7.431 7.447 6.221 94 HD1 PHE 13 1HD PHE 13 8.554 7.197 8.882 95 HD2 PHE 13 2HD PHE 13 5.063 4.795 8.552 96 HE1 PHE 13 1HE PHE 13 7.861 7.885 11.142 97 HE2 PHE 13 2HE PHE 13 4.370 5.487 10.800 98 HZ PHE 13 HZ PHE 13 5.767 7.026 12.096 99 HB2 PHE 13 2HB PHE 13 6.780 4.582 6.985 100 HB3 PHE 13 1HB PHE 13 8.340 5.357 7.197 101 HA PRO 14 HA PRO 14 8.545 5.517 2.332 102 HB2 PRO 14 2HB PRO 14 11.356 5.566 3.156 103 HB3 PRO 14 1HB PRO 14 10.559 6.487 1.874 104 HG2 PRO 14 2HG PRO 14 11.482 7.624 4.165 105 HG3 PRO 14 1HG PRO 14 10.109 8.257 3.242 106 HD2 PRO 14 2HD PRO 14 10.121 6.638 5.755 107 HD3 PRO 14 1HD PRO 14 9.066 7.983 5.250 108 H TYR 15 H TYR 15 9.040 3.481 1.682 109 HA TYR 15 HA TYR 15 10.035 1.546 3.635 110 HD1 TYR 15 1HD TYR 15 8.536 -0.174 5.267 111 HD2 TYR 15 2HD TYR 15 7.557 -0.983 1.210 112 HE1 TYR 15 1HE TYR 15 8.470 -2.579 5.768 113 HE2 TYR 15 2HE TYR 15 7.499 -3.387 1.696 114 HH TYR 15 HH TYR 15 8.400 -4.992 3.382 115 HB2 TYR 15 2HB TYR 15 7.534 1.566 3.727 116 HB3 TYR 15 1HB TYR 15 7.490 1.242 2.006 117 H THR 16 H THR 16 11.354 0.069 2.605 118 HA THR 16 HA THR 16 11.501 0.362 -0.309 119 HB THR 16 HB THR 16 13.704 -0.582 1.532 120 HG1 THR 16 1HG THR 16 12.717 1.886 1.080 121 HG21 THR 16 3HG2 THR 16 13.911 -1.270 -0.826 122 HG22 THR 16 1HG2 THR 16 15.132 -0.067 -0.416 123 HG23 THR 16 2HG2 THR 16 13.706 0.407 -1.334 124 H GLY 17 H GLY 17 11.058 -1.372 -1.504 125 HA2 GLY 17 2HA GLY 17 10.489 -3.850 -0.179 126 HA3 GLY 17 1HA GLY 17 10.285 -3.495 -1.899 127 H THR 18 H THR 18 11.795 -5.489 -0.018 128 HA THR 18 HA THR 18 14.474 -5.171 -1.147 129 HB THR 18 HB THR 18 15.060 -6.991 0.523 130 HG1 THR 18 1HG THR 18 12.301 -6.570 1.175 131 HG21 THR 18 3HG2 THR 18 13.751 -4.498 1.592 132 HG22 THR 18 1HG2 THR 18 15.414 -4.613 1.024 133 HG23 THR 18 2HG2 THR 18 14.916 -5.494 2.473 134 H ASN 19 H ASN 19 11.690 -6.583 -1.765 135 HA ASN 19 HA ASN 19 12.825 -8.441 -3.641 136 HB2 ASN 19 2HB ASN 19 11.152 -10.175 -3.028 137 HB3 ASN 19 1HB ASN 19 12.304 -9.899 -1.731 138 HD21 ASN 19 1HD2 ASN 19 9.029 -9.921 -2.684 139 HD22 ASN 19 2HD2 ASN 19 8.363 -9.429 -1.159 140 H GLU 20 H GLU 20 11.237 -8.888 -5.352 141 HA GLU 20 HA GLU 20 10.224 -6.416 -6.167 142 HB2 GLU 20 2HB GLU 20 9.405 -7.580 -8.186 143 HB3 GLU 20 1HB GLU 20 11.098 -7.852 -7.821 144 HG2 GLU 20 2HG GLU 20 10.505 -10.053 -6.879 145 HG3 GLU 20 1HG GLU 20 8.823 -9.757 -7.324 146 H ASP 21 H ASP 21 8.503 -9.027 -4.670 147 HA ASP 21 HA ASP 21 5.929 -7.864 -5.333 148 HB2 ASP 21 2HB ASP 21 6.617 -10.155 -3.479 149 HB3 ASP 21 1HB ASP 21 4.979 -9.567 -3.726 150 H GLU 22 H GLU 22 8.262 -7.103 -3.199 151 HA GLU 22 HA GLU 22 6.403 -5.946 -1.277 152 HB2 GLU 22 2HB GLU 22 8.297 -7.361 -0.446 153 HB3 GLU 22 1HB GLU 22 9.415 -6.250 -1.205 154 HG2 GLU 22 2HG GLU 22 8.680 -4.474 0.288 155 HG3 GLU 22 1HG GLU 22 7.503 -5.567 0.997 156 H LEU 23 H LEU 23 5.900 -3.938 -1.751 157 HA LEU 23 HA LEU 23 7.290 -2.623 -3.906 158 HG LEU 23 HG LEU 23 5.010 -2.139 -5.544 159 HB2 LEU 23 2HB LEU 23 4.702 -2.319 -2.544 160 HB3 LEU 23 1HB LEU 23 5.330 -0.895 -3.383 161 HD11 LEU 23 1HD1 LEU 23 5.974 -4.142 -5.002 162 HD12 LEU 23 2HD1 LEU 23 4.311 -4.388 -5.561 163 HD13 LEU 23 3HD1 LEU 23 4.717 -4.469 -3.829 164 HD21 LEU 23 3HD2 LEU 23 2.712 -2.589 -5.396 165 HD22 LEU 23 1HD2 LEU 23 3.056 -1.166 -4.415 166 HD23 LEU 23 2HD2 LEU 23 2.787 -2.731 -3.639 167 H THR 24 H THR 24 8.214 -0.685 -3.907 168 HA THR 24 HA THR 24 9.200 0.315 -1.374 169 HB THR 24 HB THR 24 9.971 0.916 -4.244 170 HG1 THR 24 1HG THR 24 11.181 -0.761 -4.076 171 HG21 THR 24 3HG2 THR 24 11.339 1.748 -1.657 172 HG22 THR 24 1HG2 THR 24 10.509 2.811 -2.786 173 HG23 THR 24 2HG2 THR 24 11.992 1.988 -3.273 174 H PHE 25 H PHE 25 8.572 2.244 -0.590 175 HA PHE 25 HA PHE 25 6.810 3.977 -2.200 176 HD1 PHE 25 1HD PHE 25 6.090 0.780 0.166 177 HD2 PHE 25 2HD PHE 25 3.737 3.766 -1.717 178 HE1 PHE 25 1HE PHE 25 4.487 -0.933 -0.537 179 HE2 PHE 25 2HE PHE 25 2.124 2.052 -2.438 180 HZ PHE 25 HZ PHE 25 2.496 -0.302 -1.843 181 HB2 PHE 25 2HB PHE 25 6.374 3.147 0.677 182 HB3 PHE 25 1HB PHE 25 5.470 4.374 -0.190 183 H ARG 26 H ARG 26 6.899 6.135 -1.617 184 HA ARG 26 HA ARG 26 9.084 6.984 0.153 185 HE ARG 26 HE ARG 26 7.386 9.455 -3.564 186 HB2 ARG 26 2HB ARG 26 7.380 8.545 -1.811 187 HB3 ARG 26 1HB ARG 26 8.615 9.257 -0.793 188 HG2 ARG 26 2HG ARG 26 10.302 7.910 -1.942 189 HG3 ARG 26 1HG ARG 26 9.036 7.247 -2.982 190 HD2 ARG 26 2HD ARG 26 9.735 10.169 -2.733 191 HD3 ARG 26 1HD ARG 26 10.267 9.107 -4.028 192 HH11 ARG 26 1HH1 ARG 26 10.157 10.135 -5.681 193 HH12 ARG 26 2HH1 ARG 26 9.193 10.555 -7.010 194 HH21 ARG 26 1HH2 ARG 26 6.112 9.997 -5.340 195 HH22 ARG 26 2HH2 ARG 26 6.804 10.511 -6.819 196 H GLU 27 H GLU 27 8.221 9.243 1.167 197 HA GLU 27 HA GLU 27 5.842 8.524 2.709 198 HB2 GLU 27 2HB GLU 27 7.988 9.323 3.818 199 HB3 GLU 27 1HB GLU 27 7.756 10.867 3.035 200 HG2 GLU 27 2HG GLU 27 5.747 9.728 4.963 201 HG3 GLU 27 1HG GLU 27 7.134 10.660 5.497 202 H GLY 28 H GLY 28 3.904 9.343 2.114 203 HA2 GLY 28 2HA GLY 28 2.487 11.150 1.486 204 HA3 GLY 28 1HA GLY 28 3.860 11.919 0.706 205 H GLU 29 H GLU 29 3.282 8.557 0.100 206 HA GLU 29 HA GLU 29 2.585 9.221 -2.658 207 HB2 GLU 29 2HB GLU 29 3.229 6.547 -1.398 208 HB3 GLU 29 1HB GLU 29 3.045 6.867 -3.111 209 HG2 GLU 29 2HG GLU 29 5.218 7.961 -1.340 210 HG3 GLU 29 1HG GLU 29 5.369 6.606 -2.453 211 H ILE 30 H ILE 30 0.585 8.746 -3.452 212 HA ILE 30 HA ILE 30 -1.382 7.729 -1.582 213 HB ILE 30 HB ILE 30 -1.694 8.858 -4.386 214 HG12 ILE 30 2HG1 ILE 30 -1.062 10.514 -2.693 215 HG13 ILE 30 1HG1 ILE 30 -2.698 10.806 -3.279 216 HG21 ILE 30 1HG2 ILE 30 -3.855 8.024 -2.448 217 HG22 ILE 30 2HG2 ILE 30 -3.451 7.213 -3.957 218 HG23 ILE 30 3HG2 ILE 30 -4.123 8.845 -3.987 219 HD11 ILE 30 3HD1 ILE 30 -1.919 9.517 -0.664 220 HD12 ILE 30 1HD1 ILE 30 -3.573 9.763 -1.229 221 HD13 ILE 30 2HD1 ILE 30 -2.539 11.152 -0.885 222 H ILE 31 H ILE 31 -2.064 5.768 -1.618 223 HA ILE 31 HA ILE 31 -0.854 3.954 -3.580 224 HB ILE 31 HB ILE 31 -2.188 3.276 -0.949 225 HG12 ILE 31 2HG1 ILE 31 0.775 3.539 -1.541 226 HG13 ILE 31 1HG1 ILE 31 -0.178 4.676 -0.592 227 HG21 ILE 31 1HG2 ILE 31 -2.142 1.426 -2.534 228 HG22 ILE 31 2HG2 ILE 31 -1.030 1.113 -1.201 229 HG23 ILE 31 3HG2 ILE 31 -0.407 1.642 -2.763 230 HD11 ILE 31 3HD1 ILE 31 -0.595 2.963 1.074 231 HD12 ILE 31 1HD1 ILE 31 1.137 3.155 0.815 232 HD13 ILE 31 2HD1 ILE 31 0.288 1.785 0.106 233 H HIS 32 H HIS 32 -2.139 2.882 -4.987 234 HA HIS 32 HA HIS 32 -5.018 3.167 -4.730 235 HD1 HIS 32 1HD HIS 32 -2.632 2.952 -8.878 236 HD2 HIS 32 2HD HIS 32 -5.076 5.192 -6.357 237 HE1 HIS 32 1HE HIS 32 -2.637 5.297 -9.797 238 HB2 HIS 32 2HB HIS 32 -3.357 1.688 -6.814 239 HB3 HIS 32 1HB HIS 32 -5.092 1.946 -6.893 240 H LEU 33 H LEU 33 -5.736 1.868 -3.169 241 HA LEU 33 HA LEU 33 -4.326 -0.499 -2.459 242 HG LEU 33 HG LEU 33 -5.194 -1.474 -0.166 243 HB2 LEU 33 2HB LEU 33 -5.500 0.981 -0.835 244 HB3 LEU 33 1HB LEU 33 -7.020 0.515 -1.549 245 HD11 LEU 33 1HD1 LEU 33 -5.785 0.336 1.366 246 HD12 LEU 33 2HD1 LEU 33 -6.581 -1.171 1.801 247 HD13 LEU 33 3HD1 LEU 33 -7.489 0.103 0.982 248 HD21 LEU 33 3HD2 LEU 33 -6.974 -2.367 -1.657 249 HD22 LEU 33 1HD2 LEU 33 -8.173 -1.521 -0.684 250 HD23 LEU 33 2HD2 LEU 33 -7.196 -2.815 0.029 251 H ILE 34 H ILE 34 -4.594 -2.409 -3.190 252 HA ILE 34 HA ILE 34 -6.667 -2.873 -5.193 253 HB ILE 34 HB ILE 34 -4.107 -4.394 -4.615 254 HG12 ILE 34 2HG1 ILE 34 -3.639 -2.188 -5.559 255 HG13 ILE 34 1HG1 ILE 34 -3.274 -3.446 -6.732 256 HG21 ILE 34 1HG2 ILE 34 -6.055 -4.749 -6.884 257 HG22 ILE 34 2HG2 ILE 34 -5.766 -5.882 -5.558 258 HG23 ILE 34 3HG2 ILE 34 -4.487 -5.542 -6.733 259 HD11 ILE 34 3HD1 ILE 34 -5.394 -2.960 -7.880 260 HD12 ILE 34 1HD1 ILE 34 -4.336 -1.549 -7.797 261 HD13 ILE 34 2HD1 ILE 34 -5.716 -1.676 -6.710 262 H SER 35 H SER 35 -5.246 -4.285 -2.246 263 HA SER 35 HA SER 35 -7.763 -5.591 -1.686 264 HG SER 35 HG SER 35 -7.298 -6.680 -3.661 265 HB2 SER 35 2HB SER 35 -5.226 -7.244 -1.939 266 HB3 SER 35 1HB SER 35 -6.812 -7.832 -1.454 267 H LYS 36 H LYS 36 -8.125 -5.507 0.469 268 HA LYS 36 HA LYS 36 -5.961 -4.806 2.280 269 HB2 LYS 36 2HB LYS 36 -8.957 -4.952 2.552 270 HB3 LYS 36 1HB LYS 36 -7.959 -5.004 3.994 271 HG2 LYS 36 2HG LYS 36 -7.046 -2.842 3.504 272 HG3 LYS 36 1HG LYS 36 -7.880 -2.782 1.956 273 HD2 LYS 36 2HD LYS 36 -10.019 -2.704 3.055 274 HD3 LYS 36 1HD LYS 36 -9.265 -2.961 4.630 275 HE2 LYS 36 2HE LYS 36 -8.191 -0.823 4.540 276 HE3 LYS 36 1HE LYS 36 -8.653 -0.600 2.857 277 HZ1 LYS 36 3HZ LYS 36 -10.657 -0.813 5.048 278 HZ2 LYS 36 1HZ LYS 36 -10.868 -0.352 3.433 279 HZ3 LYS 36 2HZ LYS 36 -10.034 0.651 4.505 280 H GLU 37 H GLU 37 -8.211 -7.379 1.607 281 HA GLU 37 HA GLU 37 -6.982 -9.083 3.582 282 HB2 GLU 37 2HB GLU 37 -9.396 -9.239 3.338 283 HB3 GLU 37 1HB GLU 37 -9.230 -9.558 1.617 284 HG2 GLU 37 2HG GLU 37 -9.732 -11.590 2.823 285 HG3 GLU 37 1HG GLU 37 -8.130 -11.668 2.101 286 H THR 38 H THR 38 -5.042 -9.752 3.025 287 HA THR 38 HA THR 38 -4.614 -10.738 0.302 288 HB THR 38 HB THR 38 -2.182 -10.469 0.933 289 HG1 THR 38 1HG THR 38 -2.589 -8.650 2.897 290 HG21 THR 38 3HG2 THR 38 -3.350 -8.767 -0.428 291 HG22 THR 38 1HG2 THR 38 -2.166 -8.022 0.647 292 HG23 THR 38 2HG2 THR 38 -3.881 -7.965 1.052 293 H GLY 39 H GLY 39 -5.443 -11.773 3.257 294 HA2 GLY 39 2HA GLY 39 -5.505 -14.022 3.899 295 HA3 GLY 39 1HA GLY 39 -4.034 -14.320 2.971 296 H GLU 40 H GLU 40 -2.570 -12.119 3.864 297 HA GLU 40 HA GLU 40 -1.965 -13.020 6.560 298 HB2 GLU 40 2HB GLU 40 -0.288 -11.619 4.480 299 HB3 GLU 40 1HB GLU 40 0.202 -11.703 6.163 300 HG2 GLU 40 2HG GLU 40 1.362 -13.406 4.943 301 HG3 GLU 40 1HG GLU 40 0.199 -14.172 6.009 302 H ALA 41 H ALA 41 -2.690 -11.867 8.132 303 HA ALA 41 HA ALA 41 -3.938 -9.373 7.831 304 HB1 ALA 41 1HB ALA 41 -2.994 -10.709 10.361 305 HB2 ALA 41 2HB ALA 41 -4.552 -10.982 9.580 306 HB3 ALA 41 3HB ALA 41 -4.165 -9.398 10.251 307 H GLY 42 H GLY 42 -3.129 -7.411 7.761 308 HA2 GLY 42 2HA GLY 42 -1.752 -5.704 8.809 309 HA3 GLY 42 1HA GLY 42 -0.505 -6.926 9.007 310 H TRP 43 H TRP 43 -1.383 -7.846 6.205 311 HA TRP 43 HA TRP 43 0.350 -5.952 4.810 312 HD1 TRP 43 HD TRP 43 0.887 -9.560 6.593 313 HE1 TRP 43 1HE TRP 43 3.343 -9.668 7.320 314 HE3 TRP 43 3HE TRP 43 2.946 -6.692 2.903 315 HZ2 TRP 43 2HZ TRP 43 5.844 -8.660 6.450 316 HZ3 TRP 43 3HZ TRP 43 5.374 -6.312 2.918 317 HH2 TRP 43 HH TRP 43 6.791 -7.268 4.646 318 HB2 TRP 43 2HB TRP 43 -0.237 -8.861 4.244 319 HB3 TRP 43 1HB TRP 43 0.702 -7.817 3.184 320 H TRP 44 H TRP 44 -0.507 -4.737 3.358 321 HA TRP 44 HA TRP 44 -3.076 -5.504 2.171 322 HD1 TRP 44 HD TRP 44 -4.003 -5.324 4.188 323 HE1 TRP 44 1HE TRP 44 -5.615 -4.294 5.877 324 HE3 TRP 44 3HE TRP 44 -3.428 -0.399 2.952 325 HZ2 TRP 44 2HZ TRP 44 -6.532 -1.734 6.610 326 HZ3 TRP 44 3HZ TRP 44 -4.717 1.282 4.207 327 HH2 TRP 44 HH TRP 44 -6.239 0.622 5.996 328 HB2 TRP 44 2HB TRP 44 -1.859 -2.788 2.678 329 HB3 TRP 44 1HB TRP 44 -3.185 -3.027 1.555 330 H LYS 45 H LYS 45 -3.312 -5.133 -0.032 331 HA LYS 45 HA LYS 45 -0.762 -5.080 -1.469 332 HB2 LYS 45 2HB LYS 45 -2.109 -7.122 -1.870 333 HB3 LYS 45 1HB LYS 45 -3.463 -6.120 -2.378 334 HG2 LYS 45 2HG LYS 45 -2.084 -5.250 -4.231 335 HG3 LYS 45 1HG LYS 45 -0.793 -6.348 -3.748 336 HD2 LYS 45 2HD LYS 45 -2.230 -8.254 -4.200 337 HD3 LYS 45 1HD LYS 45 -3.560 -7.163 -4.619 338 HE2 LYS 45 2HE LYS 45 -2.171 -6.222 -6.429 339 HE3 LYS 45 1HE LYS 45 -0.909 -7.385 -6.043 340 HZ1 LYS 45 3HZ LYS 45 -2.281 -7.987 -7.920 341 HZ2 LYS 45 1HZ LYS 45 -3.654 -8.091 -6.961 342 HZ3 LYS 45 2HZ LYS 45 -2.382 -9.172 -6.717 343 H GLY 46 H GLY 46 -0.383 -3.443 -2.736 344 HA2 GLY 46 2HA GLY 46 -2.587 -1.703 -3.530 345 HA3 GLY 46 1HA GLY 46 -1.223 -1.006 -2.660 346 H GLU 47 H GLU 47 -1.879 -0.141 -5.121 347 HA GLU 47 HA GLU 47 0.331 -1.170 -6.729 348 HB2 GLU 47 2HB GLU 47 -1.867 -1.635 -7.739 349 HB3 GLU 47 1HB GLU 47 -2.299 0.052 -7.626 350 HG2 GLU 47 2HG GLU 47 0.020 -0.884 -9.299 351 HG3 GLU 47 1HG GLU 47 -1.630 -0.887 -9.908 352 H LEU 48 H LEU 48 1.857 0.184 -7.200 353 HA LEU 48 HA LEU 48 1.402 3.048 -7.180 354 HG LEU 48 HG LEU 48 4.166 3.986 -6.655 355 HB2 LEU 48 2HB LEU 48 2.220 2.512 -4.899 356 HB3 LEU 48 1HB LEU 48 3.635 1.749 -5.605 357 HD11 LEU 48 1HD1 LEU 48 2.048 5.057 -6.505 358 HD12 LEU 48 2HD1 LEU 48 3.227 5.973 -5.564 359 HD13 LEU 48 3HD1 LEU 48 2.057 4.936 -4.747 360 HD21 LEU 48 3HD2 LEU 48 5.409 3.166 -4.748 361 HD22 LEU 48 1HD2 LEU 48 4.174 3.795 -3.655 362 HD23 LEU 48 2HD2 LEU 48 5.156 4.906 -4.607 363 H ASN 49 H ASN 49 2.271 3.818 -8.948 364 HA ASN 49 HA ASN 49 3.647 4.261 -10.697 365 HB2 ASN 49 2HB ASN 49 5.689 2.565 -9.236 366 HB3 ASN 49 1HB ASN 49 6.018 3.642 -10.584 367 HD21 ASN 49 1HD2 ASN 49 7.125 3.600 -7.940 368 HD22 ASN 49 2HD2 ASN 49 6.810 5.140 -7.224 369 H GLY 50 H GLY 50 2.006 1.667 -10.531 370 HA2 GLY 50 2HA GLY 50 1.513 0.311 -12.371 371 HA3 GLY 50 1HA GLY 50 3.147 0.549 -12.972 372 H LYS 51 H LYS 51 3.313 -0.097 -9.718 373 HA LYS 51 HA LYS 51 3.633 -2.959 -10.260 374 HB2 LYS 51 2HB LYS 51 5.118 -1.311 -8.191 375 HB3 LYS 51 1HB LYS 51 5.243 -3.048 -8.369 376 HG2 LYS 51 2HG LYS 51 7.158 -2.227 -9.366 377 HG3 LYS 51 1HG LYS 51 6.098 -2.575 -10.725 378 HD2 LYS 51 2HD LYS 51 5.449 -0.208 -10.832 379 HD3 LYS 51 1HD LYS 51 6.524 0.147 -9.483 380 HE2 LYS 51 2HE LYS 51 8.439 -0.590 -10.842 381 HE3 LYS 51 1HE LYS 51 7.345 -0.918 -12.186 382 HZ1 LYS 51 3HZ LYS 51 6.746 1.472 -12.175 383 HZ2 LYS 51 1HZ LYS 51 8.382 1.215 -12.470 384 HZ3 LYS 51 2HZ LYS 51 7.884 1.741 -10.963 385 H GLU 52 H GLU 52 2.646 -4.345 -8.935 386 HA GLU 52 HA GLU 52 1.227 -3.160 -6.716 387 HB2 GLU 52 2HB GLU 52 -0.710 -4.715 -7.165 388 HB3 GLU 52 1HB GLU 52 -0.531 -3.443 -8.353 389 HG2 GLU 52 2HG GLU 52 0.597 -5.067 -9.845 390 HG3 GLU 52 1HG GLU 52 0.306 -6.321 -8.645 391 H GLY 53 H GLY 53 1.385 -4.113 -4.893 392 HA2 GLY 53 2HA GLY 53 2.204 -6.852 -4.652 393 HA3 GLY 53 1HA GLY 53 3.444 -5.731 -4.321 394 H VAL 54 H VAL 54 3.542 -6.368 -2.212 395 HA VAL 54 HA VAL 54 1.204 -5.592 -0.620 396 HB VAL 54 HB VAL 54 1.835 -7.301 1.069 397 HG11 VAL 54 1HG1 VAL 54 1.283 -8.380 -1.687 398 HG12 VAL 54 2HG1 VAL 54 0.085 -7.789 -0.540 399 HG13 VAL 54 3HG1 VAL 54 1.007 -9.249 -0.179 400 HG21 VAL 54 3HG2 VAL 54 4.202 -7.568 0.525 401 HG22 VAL 54 1HG2 VAL 54 3.777 -8.250 -1.045 402 HG23 VAL 54 2HG2 VAL 54 3.372 -9.122 0.432 403 H PHE 55 H PHE 55 1.502 -4.720 1.374 404 HA PHE 55 HA PHE 55 4.143 -3.975 2.258 405 HD1 PHE 55 1HD PHE 55 1.276 -2.364 -0.406 406 HD2 PHE 55 2HD PHE 55 1.748 -0.675 3.478 407 HE1 PHE 55 1HE PHE 55 -0.967 -1.372 -0.560 408 HE2 PHE 55 2HE PHE 55 -0.494 0.310 3.325 409 HZ PHE 55 HZ PHE 55 -1.855 -0.036 1.305 410 HB2 PHE 55 2HB PHE 55 3.665 -1.564 2.267 411 HB3 PHE 55 1HB PHE 55 3.473 -2.219 0.643 412 HA PRO 56 HA PRO 56 1.770 -4.392 6.063 413 HB2 PRO 56 2HB PRO 56 3.703 -2.718 7.485 414 HB3 PRO 56 1HB PRO 56 3.431 -4.453 7.636 415 HG2 PRO 56 2HG PRO 56 5.687 -3.422 6.533 416 HG3 PRO 56 1HG PRO 56 5.001 -4.980 6.045 417 HD2 PRO 56 2HD PRO 56 4.773 -2.307 4.711 418 HD3 PRO 56 1HD PRO 56 5.068 -3.909 3.996 419 H ASP 57 H ASP 57 0.069 -3.246 6.746 420 HA ASP 57 HA ASP 57 -0.481 -0.769 5.541 421 HB2 ASP 57 2HB ASP 57 -2.620 -0.799 6.515 422 HB3 ASP 57 1HB ASP 57 -2.205 -2.478 6.240 423 H ASN 58 H ASN 58 1.097 -1.340 8.515 424 HA ASN 58 HA ASN 58 0.266 1.102 9.738 425 HB2 ASN 58 2HB ASN 58 2.552 -0.723 10.493 426 HB3 ASN 58 1HB ASN 58 2.178 0.753 11.367 427 HD21 ASN 58 1HD2 ASN 58 1.267 -2.509 10.777 428 HD22 ASN 58 2HD2 ASN 58 0.030 -2.613 11.962 429 H PHE 59 H PHE 59 2.378 0.566 7.233 430 HA PHE 59 HA PHE 59 4.009 2.906 7.796 431 HD1 PHE 59 2HD PHE 59 4.399 -0.825 7.084 432 HD2 PHE 59 1HD PHE 59 6.952 2.545 6.719 433 HE1 PHE 59 2HE PHE 59 6.172 -2.043 8.281 434 HE2 PHE 59 1HE PHE 59 8.723 1.350 7.911 435 HZ PHE 59 HZ PHE 59 8.338 -0.955 8.695 436 HB2 PHE 59 2HB PHE 59 3.958 0.980 5.472 437 HB3 PHE 59 1HB PHE 59 4.955 2.430 5.476 438 H ALA 60 H ALA 60 0.968 2.474 6.819 439 HA ALA 60 HA ALA 60 0.937 4.972 5.339 440 HB1 ALA 60 1HB ALA 60 -0.454 2.439 4.453 441 HB2 ALA 60 2HB ALA 60 0.924 3.186 3.649 442 HB3 ALA 60 3HB ALA 60 -0.628 4.025 3.701 443 H VAL 61 H VAL 61 -1.435 5.605 5.100 444 HA VAL 61 HA VAL 61 -3.091 4.594 7.270 445 HB VAL 61 HB VAL 61 -1.935 6.712 8.010 446 HG11 VAL 61 1HG1 VAL 61 -1.744 7.860 5.910 447 HG12 VAL 61 2HG1 VAL 61 -2.631 8.855 7.070 448 HG13 VAL 61 3HG1 VAL 61 -3.498 7.998 5.798 449 HG21 VAL 61 3HG2 VAL 61 -3.951 7.873 8.827 450 HG22 VAL 61 1HG2 VAL 61 -4.054 6.121 9.026 451 HG23 VAL 61 2HG2 VAL 61 -4.926 6.911 7.713 452 H GLN 62 H GLN 62 -5.301 4.723 6.744 453 HA GLN 62 HA GLN 62 -5.872 4.766 3.946 454 HB2 GLN 62 2HB GLN 62 -7.019 3.259 5.551 455 HB3 GLN 62 1HB GLN 62 -7.738 4.656 6.329 456 HG2 GLN 62 2HG GLN 62 -9.399 3.659 4.899 457 HG3 GLN 62 1HG GLN 62 -8.891 5.179 4.210 458 HE21 GLN 62 1HE2 GLN 62 -9.804 4.356 2.239 459 HE22 GLN 62 2HE2 GLN 62 -8.820 3.298 1.280 460 H ILE 63 H ILE 63 -7.186 6.293 2.908 461 HA ILE 63 HA ILE 63 -7.123 8.939 4.177 462 HB ILE 63 HB ILE 63 -7.583 8.175 1.272 463 HG12 ILE 63 2HG1 ILE 63 -5.254 7.905 1.982 464 HG13 ILE 63 1HG1 ILE 63 -5.411 9.248 0.858 465 HG21 ILE 63 1HG2 ILE 63 -8.852 10.167 1.785 466 HG22 ILE 63 2HG2 ILE 63 -7.443 10.589 0.797 467 HG23 ILE 63 3HG2 ILE 63 -7.431 10.909 2.528 468 HD11 ILE 63 3HD1 ILE 63 -3.901 9.864 2.644 469 HD12 ILE 63 1HD1 ILE 63 -5.114 9.434 3.848 470 HD13 ILE 63 2HD1 ILE 63 -5.384 10.801 2.777 471 H SER 64 H SER 64 -9.311 6.996 2.214 472 HA SER 64 HA SER 64 -11.511 8.011 3.808 473 HG SER 64 HG SER 64 -11.268 6.475 0.663 474 HB2 SER 64 2HB SER 64 -12.844 7.784 1.663 475 HB3 SER 64 1HB SER 64 -11.644 9.080 1.647 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -16.317 -7.974 -1.252 2 H2 GLY 1 2HT GLY 1 -14.643 -7.952 -1.368 3 H3 GLY 1 3HT GLY 1 -15.507 -6.514 -1.501 4 HA2 GLY 1 1HA GLY 1 -16.243 -6.728 0.799 5 HA3 GLY 1 2HA GLY 1 -15.262 -8.184 0.916 6 H ALA 2 H ALA 2 -13.083 -8.019 1.195 7 HA ALA 2 HA ALA 2 -12.129 -5.418 2.012 8 HB1 ALA 2 1HB ALA 2 -11.650 -7.373 3.406 9 HB2 ALA 2 2HB ALA 2 -10.162 -6.603 2.845 10 HB3 ALA 2 3HB ALA 2 -10.736 -8.089 2.079 11 H MET 3 H MET 3 -12.170 -7.096 -0.861 12 HA MET 3 HA MET 3 -9.693 -6.169 -1.911 13 HB2 MET 3 2HB MET 3 -10.981 -8.034 -2.982 14 HB3 MET 3 1HB MET 3 -12.221 -6.868 -3.433 15 HG2 MET 3 2HG MET 3 -10.660 -5.695 -4.856 16 HG3 MET 3 1HG MET 3 -9.352 -6.755 -4.343 17 HE1 MET 3 3HE MET 3 -9.967 -6.140 -7.372 18 HE2 MET 3 1HE MET 3 -9.823 -7.751 -8.076 19 HE3 MET 3 2HE MET 3 -8.689 -7.231 -6.830 20 H GLY 4 H GLY 4 -9.279 -4.347 -3.125 21 HA2 GLY 4 2HA GLY 4 -10.700 -2.097 -2.142 22 HA3 GLY 4 1HA GLY 4 -9.279 -2.078 -3.173 23 H ALA 5 H ALA 5 -12.123 -0.880 -3.013 24 HA ALA 5 HA ALA 5 -12.934 -1.254 -5.786 25 HB1 ALA 5 1HB ALA 5 -14.710 -1.049 -4.090 26 HB2 ALA 5 2HB ALA 5 -14.757 0.333 -5.184 27 HB3 ALA 5 3HB ALA 5 -14.055 0.505 -3.576 28 H LYS 6 H LYS 6 -12.491 1.542 -3.757 29 HA LYS 6 HA LYS 6 -10.263 2.451 -5.316 30 HB2 LYS 6 2HB LYS 6 -12.688 4.233 -4.848 31 HB3 LYS 6 1HB LYS 6 -11.110 4.830 -5.327 32 HG2 LYS 6 2HG LYS 6 -11.317 3.373 -7.377 33 HG3 LYS 6 1HG LYS 6 -12.990 3.098 -6.912 34 HD2 LYS 6 2HD LYS 6 -12.894 4.884 -8.550 35 HD3 LYS 6 1HD LYS 6 -13.371 5.548 -6.988 36 HE2 LYS 6 2HE LYS 6 -11.175 6.409 -6.608 37 HE3 LYS 6 1HE LYS 6 -10.541 5.589 -8.036 38 HZ1 LYS 6 3HZ LYS 6 -10.914 7.947 -8.383 39 HZ2 LYS 6 1HZ LYS 6 -12.540 7.788 -8.016 40 HZ3 LYS 6 2HZ LYS 6 -11.902 7.055 -9.398 41 H GLU 7 H GLU 7 -9.264 1.686 -3.531 42 HA GLU 7 HA GLU 7 -9.728 3.029 -0.953 43 HB2 GLU 7 2HB GLU 7 -8.071 0.654 -1.743 44 HB3 GLU 7 1HB GLU 7 -8.306 1.202 -0.078 45 HG2 GLU 7 2HG GLU 7 -10.405 0.090 -1.934 46 HG3 GLU 7 1HG GLU 7 -9.553 -0.836 -0.706 47 H TYR 8 H TYR 8 -8.349 4.779 -0.672 48 HA TYR 8 HA TYR 8 -5.659 4.446 -1.810 49 HD1 TYR 8 2HD TYR 8 -4.987 5.900 -4.247 50 HD2 TYR 8 1HD TYR 8 -8.954 6.605 -2.938 51 HE1 TYR 8 2HE TYR 8 -5.772 5.692 -6.557 52 HE2 TYR 8 1HE TYR 8 -9.759 6.405 -5.233 53 HH TYR 8 HH TYR 8 -7.864 5.135 -7.731 54 HB2 TYR 8 2HB TYR 8 -7.073 7.087 -1.470 55 HB3 TYR 8 1HB TYR 8 -5.454 6.842 -2.047 56 H CYS 9 H CYS 9 -4.004 4.669 -0.622 57 HA CYS 9 HA CYS 9 -4.344 5.662 2.126 58 HG CYS 9 HG CYS 9 -5.649 3.101 1.468 59 HB2 CYS 9 2HB CYS 9 -2.518 3.398 1.254 60 HB3 CYS 9 1HB CYS 9 -2.818 3.962 2.892 61 H ARG 10 H ARG 10 -2.714 6.967 2.890 62 HA ARG 10 HA ARG 10 -0.676 7.809 0.937 63 HE ARG 10 HE ARG 10 2.032 11.243 3.672 64 HB2 ARG 10 2HB ARG 10 -1.861 9.718 1.857 65 HB3 ARG 10 1HB ARG 10 -1.634 9.121 3.500 66 HG2 ARG 10 2HG ARG 10 0.806 9.389 3.242 67 HG3 ARG 10 1HG ARG 10 0.549 10.066 1.645 68 HD2 ARG 10 2HD ARG 10 -0.536 11.982 2.568 69 HD3 ARG 10 1HD ARG 10 -0.601 11.240 4.168 70 HH11 ARG 10 1HH1 ARG 10 -0.259 13.900 3.220 71 HH12 ARG 10 2HH1 ARG 10 0.804 15.081 3.826 72 HH21 ARG 10 1HH2 ARG 10 3.462 12.821 4.396 73 HH22 ARG 10 2HH2 ARG 10 3.012 14.476 4.509 74 H THR 11 H THR 11 1.379 7.297 1.227 75 HA THR 11 HA THR 11 2.152 5.524 3.276 76 HB THR 11 HB THR 11 4.407 5.847 2.236 77 HG1 THR 11 1HG THR 11 4.630 7.270 0.629 78 HG21 THR 11 3HG2 THR 11 3.774 4.933 0.056 79 HG22 THR 11 1HG2 THR 11 2.111 5.446 0.326 80 HG23 THR 11 2HG2 THR 11 2.825 4.200 1.350 81 H LEU 12 H LEU 12 2.992 5.992 5.241 82 HA LEU 12 HA LEU 12 3.360 8.833 5.902 83 HG LEU 12 HG LEU 12 0.928 7.106 6.663 84 HB2 LEU 12 2HB LEU 12 3.047 6.431 7.677 85 HB3 LEU 12 1HB LEU 12 3.291 8.065 8.247 86 HD11 LEU 12 1HD1 LEU 12 1.270 7.752 9.592 87 HD12 LEU 12 2HD1 LEU 12 0.914 6.167 8.897 88 HD13 LEU 12 3HD1 LEU 12 -0.280 7.465 8.814 89 HD21 LEU 12 3HD2 LEU 12 1.384 9.458 6.238 90 HD22 LEU 12 1HD2 LEU 12 1.505 9.770 7.972 91 HD23 LEU 12 2HD2 LEU 12 -0.040 9.301 7.265 92 H PHE 13 H PHE 13 5.129 5.989 5.386 93 HA PHE 13 HA PHE 13 7.555 7.307 6.345 94 HD1 PHE 13 1HD PHE 13 8.258 7.084 9.088 95 HD2 PHE 13 2HD PHE 13 5.030 4.412 8.351 96 HE1 PHE 13 1HE PHE 13 7.283 7.657 11.272 97 HE2 PHE 13 2HE PHE 13 4.051 4.981 10.532 98 HZ PHE 13 HZ PHE 13 5.178 6.607 11.996 99 HB2 PHE 13 2HB PHE 13 6.890 4.401 6.942 100 HB3 PHE 13 1HB PHE 13 8.374 5.230 7.369 101 HA PRO 14 HA PRO 14 8.931 5.569 2.429 102 HB2 PRO 14 2HB PRO 14 11.676 5.715 3.474 103 HB3 PRO 14 1HB PRO 14 10.965 6.593 2.117 104 HG2 PRO 14 2HG PRO 14 11.626 7.811 4.429 105 HG3 PRO 14 1HG PRO 14 10.239 8.328 3.452 106 HD2 PRO 14 2HD PRO 14 10.300 6.659 5.939 107 HD3 PRO 14 1HD PRO 14 9.179 7.958 5.460 108 H TYR 15 H TYR 15 9.444 3.534 1.769 109 HA TYR 15 HA TYR 15 10.594 1.682 3.685 110 HD1 TYR 15 2HD TYR 15 9.656 -0.196 5.289 111 HD2 TYR 15 1HD TYR 15 7.721 -0.871 1.569 112 HE1 TYR 15 2HE TYR 15 9.802 -2.611 5.658 113 HE2 TYR 15 1HE TYR 15 7.866 -3.296 1.928 114 HH TYR 15 HH TYR 15 9.167 -4.846 3.165 115 HB2 TYR 15 2HB TYR 15 8.199 1.558 4.090 116 HB3 TYR 15 1HB TYR 15 7.898 1.301 2.379 117 H THR 16 H THR 16 11.685 0.036 2.732 118 HA THR 16 HA THR 16 11.917 0.216 -0.160 119 HB THR 16 HB THR 16 13.852 -0.964 1.843 120 HG1 THR 16 1HG THR 16 14.810 0.994 1.891 121 HG21 THR 16 3HG2 THR 16 14.092 -1.791 -0.476 122 HG22 THR 16 1HG2 THR 16 15.460 -0.774 -0.021 123 HG23 THR 16 2HG2 THR 16 14.186 -0.128 -1.053 124 H GLY 17 H GLY 17 10.903 -1.373 -1.246 125 HA2 GLY 17 2HA GLY 17 9.921 -3.698 -0.021 126 HA3 GLY 17 1HA GLY 17 10.028 -3.378 -1.757 127 H THR 18 H THR 18 11.120 -5.422 0.615 128 HA THR 18 HA THR 18 13.838 -5.528 -0.104 129 HB THR 18 HB THR 18 12.187 -7.396 1.560 130 HG1 THR 18 1HG THR 18 12.165 -4.784 1.833 131 HG21 THR 18 3HG2 THR 18 14.509 -7.836 1.128 132 HG22 THR 18 1HG2 THR 18 14.215 -7.434 2.843 133 HG23 THR 18 2HG2 THR 18 14.876 -6.199 1.737 134 H ASN 19 H ASN 19 10.828 -6.756 -0.962 135 HA ASN 19 HA ASN 19 11.957 -8.866 -2.649 136 HB2 ASN 19 2HB ASN 19 9.168 -8.509 -1.513 137 HB3 ASN 19 1HB ASN 19 9.636 -9.775 -2.621 138 HD21 ASN 19 1HD2 ASN 19 8.495 -9.983 0.048 139 HD22 ASN 19 2HD2 ASN 19 9.605 -10.895 0.974 140 H GLU 20 H GLU 20 10.947 -8.855 -4.842 141 HA GLU 20 HA GLU 20 10.639 -6.172 -5.782 142 HB2 GLU 20 2HB GLU 20 10.201 -8.779 -7.207 143 HB3 GLU 20 1HB GLU 20 10.318 -7.206 -7.983 144 HG2 GLU 20 2HG GLU 20 12.627 -7.020 -7.194 145 HG3 GLU 20 1HG GLU 20 12.484 -8.615 -6.447 146 H ASP 21 H ASP 21 8.549 -8.790 -4.975 147 HA ASP 21 HA ASP 21 6.160 -7.524 -6.020 148 HB2 ASP 21 2HB ASP 21 4.970 -9.480 -5.058 149 HB3 ASP 21 1HB ASP 21 6.309 -9.959 -6.094 150 H GLU 22 H GLU 22 7.983 -6.657 -3.671 151 HA GLU 22 HA GLU 22 5.832 -5.955 -1.822 152 HB2 GLU 22 2HB GLU 22 7.693 -7.320 -0.885 153 HB3 GLU 22 1HB GLU 22 8.838 -6.086 -1.389 154 HG2 GLU 22 2HG GLU 22 7.804 -4.527 0.174 155 HG3 GLU 22 1HG GLU 22 6.647 -5.773 0.650 156 H LEU 23 H LEU 23 5.514 -3.754 -1.601 157 HA LEU 23 HA LEU 23 6.579 -2.243 -3.793 158 HG LEU 23 HG LEU 23 3.967 -2.481 -4.461 159 HB2 LEU 23 2HB LEU 23 4.301 -1.949 -1.986 160 HB3 LEU 23 1HB LEU 23 5.050 -0.445 -2.460 161 HD11 LEU 23 1HD1 LEU 23 2.198 -1.528 -3.090 162 HD12 LEU 23 2HD1 LEU 23 2.159 -0.909 -4.739 163 HD13 LEU 23 3HD1 LEU 23 2.804 0.090 -3.435 164 HD21 LEU 23 3HD2 LEU 23 5.781 -1.068 -5.330 165 HD22 LEU 23 1HD2 LEU 23 4.927 0.366 -4.753 166 HD23 LEU 23 2HD2 LEU 23 4.219 -0.631 -6.019 167 H THR 24 H THR 24 7.978 -0.734 -3.834 168 HA THR 24 HA THR 24 9.228 0.172 -1.359 169 HB THR 24 HB THR 24 10.004 0.516 -4.278 170 HG1 THR 24 1HG THR 24 11.376 -1.145 -3.932 171 HG21 THR 24 3HG2 THR 24 12.160 1.336 -3.433 172 HG22 THR 24 1HG2 THR 24 11.559 1.223 -1.778 173 HG23 THR 24 2HG2 THR 24 10.836 2.371 -2.898 174 H PHE 25 H PHE 25 8.555 2.077 -0.582 175 HA PHE 25 HA PHE 25 7.492 3.994 -2.454 176 HD1 PHE 25 1HD PHE 25 6.022 4.417 1.570 177 HD2 PHE 25 2HD PHE 25 5.483 0.909 -0.760 178 HE1 PHE 25 1HE PHE 25 5.549 3.137 3.611 179 HE2 PHE 25 2HE PHE 25 5.022 -0.376 1.261 180 HZ PHE 25 HZ PHE 25 5.040 0.731 3.461 181 HB2 PHE 25 2HB PHE 25 5.628 4.520 -0.840 182 HB3 PHE 25 1HB PHE 25 5.474 3.057 -1.793 183 H ARG 26 H ARG 26 7.332 6.078 -1.773 184 HA ARG 26 HA ARG 26 9.220 6.750 0.351 185 HE ARG 26 HE ARG 26 12.551 6.894 -3.043 186 HB2 ARG 26 2HB ARG 26 8.401 8.240 -2.151 187 HB3 ARG 26 1HB ARG 26 9.428 8.934 -0.904 188 HG2 ARG 26 2HG ARG 26 11.083 7.214 -1.258 189 HG3 ARG 26 1HG ARG 26 10.054 6.430 -2.449 190 HD2 ARG 26 2HD ARG 26 10.258 8.329 -3.920 191 HD3 ARG 26 1HD ARG 26 11.195 9.214 -2.710 192 HH11 ARG 26 1HH1 ARG 26 11.520 9.383 -5.355 193 HH12 ARG 26 2HH1 ARG 26 12.874 9.192 -6.366 194 HH21 ARG 26 1HH2 ARG 26 14.406 6.626 -4.448 195 HH22 ARG 26 2HH2 ARG 26 14.560 7.565 -5.851 196 H GLU 27 H GLU 27 8.576 9.020 1.293 197 HA GLU 27 HA GLU 27 5.971 8.554 2.431 198 HB2 GLU 27 2HB GLU 27 8.091 9.262 3.667 199 HB3 GLU 27 1HB GLU 27 7.884 10.841 2.945 200 HG2 GLU 27 2HG GLU 27 5.894 9.522 4.791 201 HG3 GLU 27 1HG GLU 27 7.132 10.650 5.308 202 H GLY 28 H GLY 28 4.142 9.562 1.876 203 HA2 GLY 28 2HA GLY 28 2.876 11.452 1.265 204 HA3 GLY 28 1HA GLY 28 4.286 12.111 0.454 205 H GLU 29 H GLU 29 3.440 8.787 -0.092 206 HA GLU 29 HA GLU 29 2.526 9.555 -2.755 207 HB2 GLU 29 2HB GLU 29 3.716 6.903 -1.878 208 HB3 GLU 29 1HB GLU 29 3.173 7.295 -3.499 209 HG2 GLU 29 2HG GLU 29 4.903 9.153 -3.467 210 HG3 GLU 29 1HG GLU 29 5.534 8.392 -2.012 211 H ILE 30 H ILE 30 0.594 8.853 -3.466 212 HA ILE 30 HA ILE 30 -1.129 7.572 -1.505 213 HB ILE 30 HB ILE 30 -1.779 8.941 -4.137 214 HG12 ILE 30 2HG1 ILE 30 -1.140 10.490 -2.328 215 HG13 ILE 30 1HG1 ILE 30 -2.833 10.669 -2.762 216 HG21 ILE 30 1HG2 ILE 30 -3.668 7.758 -2.131 217 HG22 ILE 30 2HG2 ILE 30 -3.338 7.129 -3.745 218 HG23 ILE 30 3HG2 ILE 30 -4.139 8.694 -3.554 219 HD11 ILE 30 3HD1 ILE 30 -1.744 9.242 -0.347 220 HD12 ILE 30 1HD1 ILE 30 -3.449 9.327 -0.794 221 HD13 ILE 30 2HD1 ILE 30 -2.575 10.796 -0.380 222 H ILE 31 H ILE 31 -1.705 5.551 -1.665 223 HA ILE 31 HA ILE 31 -0.858 4.005 -4.042 224 HB ILE 31 HB ILE 31 -1.301 3.031 -1.200 225 HG12 ILE 31 2HG1 ILE 31 1.288 3.448 -2.711 226 HG13 ILE 31 1HG1 ILE 31 0.729 4.378 -1.328 227 HG21 ILE 31 1HG2 ILE 31 -1.816 1.297 -2.809 228 HG22 ILE 31 2HG2 ILE 31 -0.321 0.903 -1.961 229 HG23 ILE 31 3HG2 ILE 31 -0.260 1.533 -3.606 230 HD11 ILE 31 3HD1 ILE 31 2.441 2.772 -0.681 231 HD12 ILE 31 1HD1 ILE 31 1.455 1.452 -1.308 232 HD13 ILE 31 2HD1 ILE 31 0.900 2.383 0.082 233 H HIS 32 H HIS 32 -2.433 2.870 -5.115 234 HA HIS 32 HA HIS 32 -5.115 3.042 -4.030 235 HD1 HIS 32 1HD HIS 32 -5.947 0.557 -7.804 236 HD2 HIS 32 2HD HIS 32 -7.525 3.228 -5.047 237 HE1 HIS 32 1HE HIS 32 -8.446 0.162 -7.780 238 HB2 HIS 32 2HB HIS 32 -4.788 3.566 -6.451 239 HB3 HIS 32 1HB HIS 32 -4.173 1.933 -6.694 240 H LEU 33 H LEU 33 -5.491 1.602 -2.622 241 HA LEU 33 HA LEU 33 -4.047 -0.818 -2.365 242 HG LEU 33 HG LEU 33 -4.736 -1.981 0.066 243 HB2 LEU 33 2HB LEU 33 -4.790 0.467 -0.464 244 HB3 LEU 33 1HB LEU 33 -6.451 0.328 -0.917 245 HD11 LEU 33 1HD1 LEU 33 -5.926 -1.650 2.142 246 HD12 LEU 33 2HD1 LEU 33 -6.787 -0.276 1.451 247 HD13 LEU 33 3HD1 LEU 33 -5.045 -0.191 1.704 248 HD21 LEU 33 3HD2 LEU 33 -6.757 -3.187 0.290 249 HD22 LEU 33 1HD2 LEU 33 -6.762 -2.546 -1.341 250 HD23 LEU 33 2HD2 LEU 33 -7.749 -1.769 -0.095 251 H ILE 34 H ILE 34 -4.519 -2.732 -3.065 252 HA ILE 34 HA ILE 34 -6.827 -3.048 -4.825 253 HB ILE 34 HB ILE 34 -4.235 -4.612 -4.638 254 HG12 ILE 34 2HG1 ILE 34 -3.895 -2.385 -5.598 255 HG13 ILE 34 1HG1 ILE 34 -3.691 -3.623 -6.827 256 HG21 ILE 34 1HG2 ILE 34 -4.910 -5.740 -6.691 257 HG22 ILE 34 2HG2 ILE 34 -6.480 -4.938 -6.615 258 HG23 ILE 34 3HG2 ILE 34 -6.015 -6.085 -5.356 259 HD11 ILE 34 3HD1 ILE 34 -4.881 -1.717 -7.717 260 HD12 ILE 34 1HD1 ILE 34 -6.103 -1.852 -6.454 261 HD13 ILE 34 2HD1 ILE 34 -5.950 -3.117 -7.669 262 H SER 35 H SER 35 -5.169 -4.534 -2.050 263 HA SER 35 HA SER 35 -7.620 -5.986 -1.463 264 HG SER 35 HG SER 35 -6.997 -6.896 -3.486 265 HB2 SER 35 2HB SER 35 -4.970 -7.421 -1.775 266 HB3 SER 35 1HB SER 35 -6.480 -8.148 -1.243 267 H LYS 36 H LYS 36 -8.058 -5.642 0.641 268 HA LYS 36 HA LYS 36 -5.968 -4.918 2.471 269 HB2 LYS 36 2HB LYS 36 -8.950 -5.005 2.632 270 HB3 LYS 36 1HB LYS 36 -8.043 -5.016 4.144 271 HG2 LYS 36 2HG LYS 36 -7.021 -2.970 3.625 272 HG3 LYS 36 1HG LYS 36 -7.629 -2.919 1.998 273 HD2 LYS 36 2HD LYS 36 -9.226 -2.675 4.543 274 HD3 LYS 36 1HD LYS 36 -8.843 -1.377 3.413 275 HE2 LYS 36 2HE LYS 36 -10.069 -2.763 1.663 276 HE3 LYS 36 1HE LYS 36 -10.650 -3.732 3.018 277 HZ1 LYS 36 3HZ LYS 36 -12.294 -2.068 2.519 278 HZ2 LYS 36 1HZ LYS 36 -11.142 -0.847 2.528 279 HZ3 LYS 36 2HZ LYS 36 -11.556 -1.595 3.965 280 H GLU 37 H GLU 37 -6.980 -7.790 1.356 281 HA GLU 37 HA GLU 37 -5.643 -9.034 3.586 282 HB2 GLU 37 2HB GLU 37 -7.151 -11.033 3.360 283 HB3 GLU 37 1HB GLU 37 -7.905 -9.612 4.062 284 HG2 GLU 37 2HG GLU 37 -9.042 -9.139 2.026 285 HG3 GLU 37 1HG GLU 37 -8.155 -10.403 1.180 286 H THR 38 H THR 38 -3.998 -10.115 2.964 287 HA THR 38 HA THR 38 -3.781 -10.964 0.162 288 HB THR 38 HB THR 38 -1.298 -10.963 0.832 289 HG1 THR 38 1HG THR 38 -1.771 -9.064 2.772 290 HG21 THR 38 3HG2 THR 38 -1.118 -8.518 0.516 291 HG22 THR 38 1HG2 THR 38 -2.842 -8.357 0.846 292 HG23 THR 38 2HG2 THR 38 -2.303 -9.221 -0.591 293 H GLY 39 H GLY 39 -4.986 -12.281 2.617 294 HA2 GLY 39 2HA GLY 39 -5.045 -14.581 3.229 295 HA3 GLY 39 1HA GLY 39 -3.372 -14.736 2.669 296 H GLU 40 H GLU 40 -3.073 -11.995 3.971 297 HA GLU 40 HA GLU 40 -2.934 -12.787 6.759 298 HB2 GLU 40 2HB GLU 40 -0.662 -12.927 5.732 299 HB3 GLU 40 1HB GLU 40 -0.817 -11.255 5.216 300 HG2 GLU 40 2HG GLU 40 0.566 -11.476 7.211 301 HG3 GLU 40 1HG GLU 40 -0.890 -10.532 7.529 302 H ALA 41 H ALA 41 -3.238 -11.087 8.156 303 HA ALA 41 HA ALA 41 -4.340 -8.642 6.974 304 HB1 ALA 41 1HB ALA 41 -5.488 -8.329 9.138 305 HB2 ALA 41 2HB ALA 41 -4.783 -9.832 9.725 306 HB3 ALA 41 3HB ALA 41 -5.940 -9.863 8.394 307 H GLY 42 H GLY 42 -2.741 -7.248 6.863 308 HA2 GLY 42 2HA GLY 42 -1.468 -5.847 8.679 309 HA3 GLY 42 1HA GLY 42 -0.553 -7.356 8.786 310 H TRP 43 H TRP 43 -0.996 -7.966 6.012 311 HA TRP 43 HA TRP 43 0.677 -5.924 4.791 312 HD1 TRP 43 HD TRP 43 1.756 -9.309 6.629 313 HE1 TRP 43 1HE TRP 43 4.211 -8.968 7.349 314 HE3 TRP 43 3HE TRP 43 3.324 -6.307 2.798 315 HZ2 TRP 43 2HZ TRP 43 6.501 -7.619 6.407 316 HZ3 TRP 43 3HZ TRP 43 5.657 -5.538 2.777 317 HH2 TRP 43 HH TRP 43 7.213 -6.179 4.546 318 HB2 TRP 43 2HB TRP 43 0.526 -8.897 4.267 319 HB3 TRP 43 1HB TRP 43 1.292 -7.773 3.148 320 H TRP 44 H TRP 44 -0.237 -4.803 3.330 321 HA TRP 44 HA TRP 44 -2.773 -5.730 2.199 322 HD1 TRP 44 HD TRP 44 -3.933 -5.638 4.040 323 HE1 TRP 44 1HE TRP 44 -5.576 -4.634 5.761 324 HE3 TRP 44 3HE TRP 44 -3.024 -0.685 3.253 325 HZ2 TRP 44 2HZ TRP 44 -6.362 -2.107 6.661 326 HZ3 TRP 44 3HZ TRP 44 -4.257 0.962 4.561 327 HH2 TRP 44 HH TRP 44 -5.914 0.258 6.240 328 HB2 TRP 44 2HB TRP 44 -1.663 -2.999 2.764 329 HB3 TRP 44 1HB TRP 44 -2.965 -3.238 1.615 330 H LYS 45 H LYS 45 -3.068 -5.516 0.029 331 HA LYS 45 HA LYS 45 -0.582 -5.156 -1.471 332 HB2 LYS 45 2HB LYS 45 -1.618 -7.383 -1.781 333 HB3 LYS 45 1HB LYS 45 -3.114 -6.610 -2.291 334 HG2 LYS 45 2HG LYS 45 -2.002 -5.673 -4.231 335 HG3 LYS 45 1HG LYS 45 -0.475 -6.379 -3.715 336 HD2 LYS 45 2HD LYS 45 -1.405 -8.615 -3.995 337 HD3 LYS 45 1HD LYS 45 -2.962 -7.916 -4.466 338 HE2 LYS 45 2HE LYS 45 -1.901 -6.812 -6.356 339 HE3 LYS 45 1HE LYS 45 -0.345 -7.492 -5.895 340 HZ1 LYS 45 3HZ LYS 45 -1.497 -8.576 -7.705 341 HZ2 LYS 45 1HZ LYS 45 -2.721 -9.086 -6.680 342 HZ3 LYS 45 2HZ LYS 45 -1.138 -9.669 -6.443 343 H GLY 46 H GLY 46 -0.451 -3.532 -2.831 344 HA2 GLY 46 2HA GLY 46 -2.862 -2.194 -3.709 345 HA3 GLY 46 1HA GLY 46 -1.736 -1.245 -2.747 346 H GLU 47 H GLU 47 -2.357 -0.532 -5.267 347 HA GLU 47 HA GLU 47 0.038 -1.244 -6.753 348 HB2 GLU 47 2HB GLU 47 -2.087 -1.841 -7.868 349 HB3 GLU 47 1HB GLU 47 -2.631 -0.188 -7.714 350 HG2 GLU 47 2HG GLU 47 -0.144 -0.809 -9.247 351 HG3 GLU 47 1HG GLU 47 -1.726 -1.059 -9.979 352 H LEU 48 H LEU 48 1.482 0.169 -6.865 353 HA LEU 48 HA LEU 48 0.836 3.002 -6.705 354 HG LEU 48 HG LEU 48 3.790 3.774 -5.977 355 HB2 LEU 48 2HB LEU 48 1.580 2.372 -4.482 356 HB3 LEU 48 1HB LEU 48 2.984 1.569 -5.148 357 HD11 LEU 48 1HD1 LEU 48 1.558 4.897 -4.298 358 HD12 LEU 48 2HD1 LEU 48 1.684 4.959 -6.052 359 HD13 LEU 48 3HD1 LEU 48 2.857 5.815 -5.060 360 HD21 LEU 48 3HD2 LEU 48 4.555 4.567 -3.798 361 HD22 LEU 48 1HD2 LEU 48 4.667 2.813 -3.935 362 HD23 LEU 48 2HD2 LEU 48 3.359 3.543 -3.004 363 H ASN 49 H ASN 49 1.555 3.848 -8.469 364 HA ASN 49 HA ASN 49 2.885 4.514 -10.158 365 HB2 ASN 49 2HB ASN 49 5.084 3.138 -8.578 366 HB3 ASN 49 1HB ASN 49 5.346 4.195 -9.959 367 HD21 ASN 49 1HD2 ASN 49 6.218 4.451 -7.167 368 HD22 ASN 49 2HD2 ASN 49 5.650 5.959 -6.594 369 H GLY 50 H GLY 50 1.557 1.809 -10.107 370 HA2 GLY 50 2HA GLY 50 1.295 0.637 -12.138 371 HA3 GLY 50 1HA GLY 50 3.015 0.810 -12.437 372 H LYS 51 H LYS 51 3.336 0.071 -9.379 373 HA LYS 51 HA LYS 51 3.321 -2.756 -10.030 374 HB2 LYS 51 2HB LYS 51 5.039 -1.148 -8.172 375 HB3 LYS 51 1HB LYS 51 4.849 -2.878 -7.943 376 HG2 LYS 51 2HG LYS 51 6.849 -2.545 -9.136 377 HG3 LYS 51 1HG LYS 51 5.686 -3.203 -10.264 378 HD2 LYS 51 2HD LYS 51 5.278 -0.935 -11.158 379 HD3 LYS 51 1HD LYS 51 6.486 -0.295 -10.043 380 HE2 LYS 51 2HE LYS 51 7.466 -0.611 -12.249 381 HE3 LYS 51 1HE LYS 51 8.195 -1.721 -11.093 382 HZ1 LYS 51 3HZ LYS 51 6.770 -3.483 -11.941 383 HZ2 LYS 51 1HZ LYS 51 7.694 -2.830 -13.176 384 HZ3 LYS 51 2HZ LYS 51 6.065 -2.432 -13.036 385 H GLU 52 H GLU 52 2.062 -4.051 -9.088 386 HA GLU 52 HA GLU 52 0.696 -3.132 -6.696 387 HB2 GLU 52 2HB GLU 52 -0.944 -4.978 -7.136 388 HB3 GLU 52 1HB GLU 52 -0.973 -3.685 -8.322 389 HG2 GLU 52 2HG GLU 52 0.151 -5.041 -9.933 390 HG3 GLU 52 1HG GLU 52 0.494 -6.283 -8.734 391 H GLY 53 H GLY 53 1.737 -3.611 -5.082 392 HA2 GLY 53 2HA GLY 53 2.723 -6.355 -4.752 393 HA3 GLY 53 1HA GLY 53 3.765 -4.983 -4.376 394 H VAL 54 H VAL 54 3.798 -5.983 -2.239 395 HA VAL 54 HA VAL 54 1.377 -5.293 -0.742 396 HB VAL 54 HB VAL 54 2.089 -6.953 0.980 397 HG11 VAL 54 1HG1 VAL 54 1.440 -8.952 -0.277 398 HG12 VAL 54 2HG1 VAL 54 1.710 -8.077 -1.786 399 HG13 VAL 54 3HG1 VAL 54 0.433 -7.564 -0.690 400 HG21 VAL 54 3HG2 VAL 54 4.484 -7.026 0.482 401 HG22 VAL 54 1HG2 VAL 54 4.145 -7.759 -1.086 402 HG23 VAL 54 2HG2 VAL 54 3.781 -8.643 0.396 403 H PHE 55 H PHE 55 1.582 -4.400 1.274 404 HA PHE 55 HA PHE 55 4.154 -3.350 2.070 405 HD1 PHE 55 2HD PHE 55 1.144 -2.133 -0.607 406 HD2 PHE 55 1HD PHE 55 1.307 -0.397 3.275 407 HE1 PHE 55 2HE PHE 55 -1.198 -1.421 -0.824 408 HE2 PHE 55 1HE PHE 55 -1.030 0.322 3.055 409 HZ PHE 55 HZ PHE 55 -2.288 -0.189 1.003 410 HB2 PHE 55 2HB PHE 55 3.326 -1.023 2.122 411 HB3 PHE 55 1HB PHE 55 3.279 -1.698 0.491 412 HA PRO 56 HA PRO 56 2.384 -3.988 6.138 413 HB2 PRO 56 2HB PRO 56 3.576 -1.460 7.048 414 HB3 PRO 56 1HB PRO 56 3.873 -3.080 7.634 415 HG2 PRO 56 2HG PRO 56 5.725 -1.793 6.167 416 HG3 PRO 56 1HG PRO 56 5.480 -3.542 6.017 417 HD2 PRO 56 2HD PRO 56 4.566 -1.336 4.212 418 HD3 PRO 56 1HD PRO 56 5.195 -2.948 3.807 419 H ASP 57 H ASP 57 0.501 -3.507 6.964 420 HA ASP 57 HA ASP 57 -1.223 -1.629 5.811 421 HB2 ASP 57 2HB ASP 57 -2.877 -2.445 7.323 422 HB3 ASP 57 1HB ASP 57 -1.857 -3.801 6.889 423 H ASN 58 H ASN 58 1.056 -1.165 8.302 424 HA ASN 58 HA ASN 58 -0.403 1.129 9.379 425 HB2 ASN 58 2HB ASN 58 1.134 1.089 11.254 426 HB3 ASN 58 1HB ASN 58 0.491 -0.531 10.967 427 HD21 ASN 58 1HD2 ASN 58 2.973 0.521 12.275 428 HD22 ASN 58 2HD2 ASN 58 4.232 -0.383 11.531 429 H PHE 59 H PHE 59 2.041 0.460 7.132 430 HA PHE 59 HA PHE 59 3.544 2.879 7.631 431 HD1 PHE 59 1HD PHE 59 4.394 0.064 8.350 432 HD2 PHE 59 2HD PHE 59 6.746 2.380 5.671 433 HE1 PHE 59 1HE PHE 59 6.401 -0.438 9.681 434 HE2 PHE 59 2HE PHE 59 8.757 1.883 6.999 435 HZ PHE 59 HZ PHE 59 8.585 0.471 9.007 436 HB2 PHE 59 2HB PHE 59 3.824 0.624 5.717 437 HB3 PHE 59 1HB PHE 59 4.519 2.169 5.249 438 H ALA 60 H ALA 60 0.693 2.266 6.211 439 HA ALA 60 HA ALA 60 0.774 4.826 4.853 440 HB1 ALA 60 1HB ALA 60 -0.458 2.311 3.712 441 HB2 ALA 60 2HB ALA 60 0.994 3.107 3.108 442 HB3 ALA 60 3HB ALA 60 -0.565 3.923 3.002 443 H VAL 61 H VAL 61 -1.059 5.970 5.171 444 HA VAL 61 HA VAL 61 -3.009 4.753 6.979 445 HB VAL 61 HB VAL 61 -1.914 6.750 7.890 446 HG11 VAL 61 1HG1 VAL 61 -3.077 8.247 5.550 447 HG12 VAL 61 2HG1 VAL 61 -1.368 7.939 5.854 448 HG13 VAL 61 3HG1 VAL 61 -2.283 8.985 6.941 449 HG21 VAL 61 3HG2 VAL 61 -4.809 7.249 7.220 450 HG22 VAL 61 1HG2 VAL 61 -3.908 8.049 8.506 451 HG23 VAL 61 2HG2 VAL 61 -4.196 6.311 8.581 452 H GLN 62 H GLN 62 -4.969 4.321 6.245 453 HA GLN 62 HA GLN 62 -5.596 5.062 3.567 454 HB2 GLN 62 2HB GLN 62 -6.232 2.848 4.250 455 HB3 GLN 62 1HB GLN 62 -7.191 3.488 5.582 456 HG2 GLN 62 2HG GLN 62 -8.784 4.417 4.116 457 HG3 GLN 62 1HG GLN 62 -7.758 4.145 2.715 458 HE21 GLN 62 1HE2 GLN 62 -9.404 3.106 1.744 459 HE22 GLN 62 2HE2 GLN 62 -9.857 1.476 2.101 460 H ILE 63 H ILE 63 -6.351 6.868 3.024 461 HA ILE 63 HA ILE 63 -7.779 8.483 4.939 462 HB ILE 63 HB ILE 63 -7.772 10.260 3.156 463 HG12 ILE 63 2HG1 ILE 63 -6.044 8.299 1.595 464 HG13 ILE 63 1HG1 ILE 63 -7.684 8.757 1.164 465 HG21 ILE 63 1HG2 ILE 63 -6.027 10.199 4.830 466 HG22 ILE 63 2HG2 ILE 63 -5.375 10.745 3.288 467 HG23 ILE 63 3HG2 ILE 63 -5.080 9.095 3.834 468 HD11 ILE 63 3HD1 ILE 63 -5.299 10.596 1.251 469 HD12 ILE 63 1HD1 ILE 63 -6.939 11.059 0.804 470 HD13 ILE 63 2HD1 ILE 63 -6.045 9.922 -0.200 471 H SER 64 H SER 64 -8.371 7.017 1.734 472 HA SER 64 HA SER 64 -11.004 6.374 2.352 473 HG SER 64 HG SER 64 -11.076 8.786 2.742 474 HB2 SER 64 2HB SER 64 -10.345 8.476 0.275 475 HB3 SER 64 1HB SER 64 -11.874 7.609 0.403 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -12.404 -9.800 1.377 2 H2 GLY 1 2HT GLY 1 -13.379 -10.743 0.350 3 H3 GLY 1 3HT GLY 1 -14.022 -9.374 1.131 4 HA2 GLY 1 1HA GLY 1 -11.823 -9.276 -0.812 5 HA3 GLY 1 2HA GLY 1 -13.514 -8.972 -1.208 6 H ALA 2 H ALA 2 -11.486 -7.069 -1.550 7 HA ALA 2 HA ALA 2 -11.892 -5.183 0.621 8 HB1 ALA 2 1HB ALA 2 -10.335 -3.725 -0.655 9 HB2 ALA 2 2HB ALA 2 -10.232 -4.963 -1.912 10 HB3 ALA 2 3HB ALA 2 -9.634 -5.296 -0.283 11 H MET 3 H MET 3 -13.748 -4.242 0.571 12 HA MET 3 HA MET 3 -15.075 -3.795 -1.983 13 HB2 MET 3 2HB MET 3 -16.190 -3.572 0.812 14 HB3 MET 3 1HB MET 3 -17.113 -3.468 -0.681 15 HG2 MET 3 2HG MET 3 -15.662 -5.868 0.390 16 HG3 MET 3 1HG MET 3 -17.406 -5.638 0.286 17 HE1 MET 3 3HE MET 3 -17.739 -4.357 -2.660 18 HE2 MET 3 1HE MET 3 -18.765 -5.639 -2.007 19 HE3 MET 3 2HE MET 3 -18.017 -5.826 -3.590 20 H GLY 4 H GLY 4 -15.178 -1.897 -2.828 21 HA2 GLY 4 2HA GLY 4 -15.558 0.542 -2.084 22 HA3 GLY 4 1HA GLY 4 -13.931 0.319 -1.424 23 H ALA 5 H ALA 5 -13.200 -1.574 -3.432 24 HA ALA 5 HA ALA 5 -12.231 -1.831 -5.422 25 HB1 ALA 5 1HB ALA 5 -13.172 -0.834 -7.431 26 HB2 ALA 5 2HB ALA 5 -14.058 0.342 -6.453 27 HB3 ALA 5 3HB ALA 5 -14.468 -1.371 -6.357 28 H LYS 6 H LYS 6 -12.735 1.589 -5.125 29 HA LYS 6 HA LYS 6 -9.869 1.935 -5.586 30 HB2 LYS 6 2HB LYS 6 -12.114 3.842 -6.223 31 HB3 LYS 6 1HB LYS 6 -10.418 4.299 -6.255 32 HG2 LYS 6 2HG LYS 6 -11.685 2.168 -7.973 33 HG3 LYS 6 1HG LYS 6 -11.293 3.825 -8.453 34 HD2 LYS 6 2HD LYS 6 -8.932 3.421 -8.102 35 HD3 LYS 6 1HD LYS 6 -9.270 1.801 -7.496 36 HE2 LYS 6 2HE LYS 6 -8.495 1.691 -9.791 37 HE3 LYS 6 1HE LYS 6 -10.172 1.170 -9.671 38 HZ1 LYS 6 3HZ LYS 6 -10.828 3.392 -10.475 39 HZ2 LYS 6 1HZ LYS 6 -9.871 2.566 -11.571 40 HZ3 LYS 6 2HZ LYS 6 -9.213 3.803 -10.673 41 H GLU 7 H GLU 7 -9.135 1.846 -3.708 42 HA GLU 7 HA GLU 7 -10.067 3.789 -1.721 43 HB2 GLU 7 2HB GLU 7 -8.850 1.050 -1.202 44 HB3 GLU 7 1HB GLU 7 -9.258 2.221 0.039 45 HG2 GLU 7 2HG GLU 7 -11.646 2.022 -0.667 46 HG3 GLU 7 1HG GLU 7 -11.162 0.743 -1.774 47 H TYR 8 H TYR 8 -8.412 4.948 -0.705 48 HA TYR 8 HA TYR 8 -5.814 4.635 -2.078 49 HD1 TYR 8 1HD TYR 8 -9.247 6.728 -2.507 50 HD2 TYR 8 2HD TYR 8 -5.550 6.628 -4.606 51 HE1 TYR 8 1HE TYR 8 -10.468 6.749 -4.634 52 HE2 TYR 8 2HE TYR 8 -6.771 6.646 -6.746 53 HH TYR 8 HH TYR 8 -10.152 7.278 -6.922 54 HB2 TYR 8 2HB TYR 8 -6.973 7.340 -1.378 55 HB3 TYR 8 1HB TYR 8 -5.544 6.984 -2.286 56 H CYS 9 H CYS 9 -4.064 4.860 -0.889 57 HA CYS 9 HA CYS 9 -4.411 5.608 1.934 58 HG CYS 9 HG CYS 9 -5.787 3.181 1.113 59 HB2 CYS 9 2HB CYS 9 -2.664 3.380 0.875 60 HB3 CYS 9 1HB CYS 9 -2.898 3.824 2.564 61 H ARG 10 H ARG 10 -2.860 6.940 2.723 62 HA ARG 10 HA ARG 10 -0.729 7.664 0.846 63 HE ARG 10 HE ARG 10 1.896 11.324 3.442 64 HB2 ARG 10 2HB ARG 10 -1.995 9.637 1.589 65 HB3 ARG 10 1HB ARG 10 -1.731 9.192 3.276 66 HG2 ARG 10 2HG ARG 10 0.705 9.412 2.932 67 HG3 ARG 10 1HG ARG 10 0.406 9.936 1.289 68 HD2 ARG 10 2HD ARG 10 -0.642 11.941 2.072 69 HD3 ARG 10 1HD ARG 10 -0.591 11.363 3.744 70 HH11 ARG 10 1HH1 ARG 10 -0.075 13.663 1.624 71 HH12 ARG 10 2HH1 ARG 10 1.185 14.775 1.455 72 HH21 ARG 10 1HH2 ARG 10 3.609 12.848 3.192 73 HH22 ARG 10 2HH2 ARG 10 3.317 14.330 2.380 74 H THR 11 H THR 11 1.330 7.326 1.366 75 HA THR 11 HA THR 11 1.928 5.618 3.528 76 HB THR 11 HB THR 11 4.267 5.928 2.716 77 HG1 THR 11 1HG THR 11 4.611 7.211 0.967 78 HG21 THR 11 3HG2 THR 11 2.201 5.441 0.578 79 HG22 THR 11 1HG2 THR 11 2.795 4.245 1.729 80 HG23 THR 11 2HG2 THR 11 3.888 4.926 0.526 81 H LEU 12 H LEU 12 2.691 6.137 5.504 82 HA LEU 12 HA LEU 12 2.945 8.991 6.151 83 HG LEU 12 HG LEU 12 0.534 7.142 6.900 84 HB2 LEU 12 2HB LEU 12 2.696 6.564 7.925 85 HB3 LEU 12 1HB LEU 12 2.859 8.207 8.504 86 HD11 LEU 12 1HD1 LEU 12 0.797 7.844 9.817 87 HD12 LEU 12 2HD1 LEU 12 0.600 6.221 9.145 88 HD13 LEU 12 3HD1 LEU 12 -0.702 7.406 9.002 89 HD21 LEU 12 3HD2 LEU 12 0.978 9.815 8.226 90 HD22 LEU 12 1HD2 LEU 12 -0.520 9.285 7.464 91 HD23 LEU 12 2HD2 LEU 12 0.928 9.519 6.487 92 H PHE 13 H PHE 13 4.709 6.154 5.617 93 HA PHE 13 HA PHE 13 7.182 7.476 6.333 94 HD1 PHE 13 1HD PHE 13 8.317 7.495 8.750 95 HD2 PHE 13 2HD PHE 13 4.835 5.081 9.000 96 HE1 PHE 13 1HE PHE 13 7.749 8.553 10.888 97 HE2 PHE 13 2HE PHE 13 4.259 6.131 11.142 98 HZ PHE 13 HZ PHE 13 5.728 7.880 12.082 99 HB2 PHE 13 2HB PHE 13 6.367 4.723 7.312 100 HB3 PHE 13 1HB PHE 13 8.009 5.359 7.418 101 HA PRO 14 HA PRO 14 8.148 5.375 2.548 102 HB2 PRO 14 2HB PRO 14 10.825 5.596 2.509 103 HB3 PRO 14 1HB PRO 14 9.786 7.010 2.313 104 HG2 PRO 14 2HG PRO 14 11.272 6.079 4.722 105 HG3 PRO 14 1HG PRO 14 11.041 7.731 4.120 106 HD2 PRO 14 2HD PRO 14 9.583 6.567 6.165 107 HD3 PRO 14 1HD PRO 14 9.034 7.945 5.193 108 H TYR 15 H TYR 15 9.033 3.378 1.814 109 HA TYR 15 HA TYR 15 10.297 1.638 3.732 110 HD1 TYR 15 1HD TYR 15 9.553 -0.425 5.358 111 HD2 TYR 15 2HD TYR 15 7.431 -1.037 1.725 112 HE1 TYR 15 1HE TYR 15 9.797 -2.855 5.628 113 HE2 TYR 15 2HE TYR 15 7.672 -3.463 1.984 114 HH TYR 15 HH TYR 15 9.200 -5.015 3.123 115 HB2 TYR 15 2HB TYR 15 7.961 1.318 4.309 116 HB3 TYR 15 1HB TYR 15 7.539 1.100 2.620 117 H THR 16 H THR 16 11.577 0.197 2.720 118 HA THR 16 HA THR 16 11.511 0.198 -0.187 119 HB THR 16 HB THR 16 13.711 -0.717 1.690 120 HG1 THR 16 1HG THR 16 12.872 1.742 1.092 121 HG21 THR 16 3HG2 THR 16 15.135 -0.522 -0.305 122 HG22 THR 16 1HG2 THR 16 13.739 -0.032 -1.266 123 HG23 THR 16 2HG2 THR 16 13.817 -1.660 -0.590 124 H GLY 17 H GLY 17 10.880 -1.639 -1.189 125 HA2 GLY 17 2HA GLY 17 10.188 -3.917 0.420 126 HA3 GLY 17 1HA GLY 17 9.933 -3.715 -1.315 127 H THR 18 H THR 18 11.283 -5.805 0.468 128 HA THR 18 HA THR 18 13.988 -5.689 -0.602 129 HB THR 18 HB THR 18 13.616 -6.366 1.784 130 HG1 THR 18 1HG THR 18 14.941 -8.235 1.710 131 HG21 THR 18 3HG2 THR 18 12.300 -8.796 0.563 132 HG22 THR 18 1HG2 THR 18 11.512 -7.572 1.552 133 HG23 THR 18 2HG2 THR 18 12.726 -8.635 2.265 134 H ASN 19 H ASN 19 11.002 -6.836 -1.344 135 HA ASN 19 HA ASN 19 12.027 -8.839 -3.223 136 HB2 ASN 19 2HB ASN 19 9.307 -8.613 -1.926 137 HB3 ASN 19 1HB ASN 19 9.711 -9.757 -3.181 138 HD21 ASN 19 1HD2 ASN 19 8.729 -10.285 -0.534 139 HD22 ASN 19 2HD2 ASN 19 9.915 -11.251 0.247 140 H GLU 20 H GLU 20 10.958 -8.795 -5.286 141 HA GLU 20 HA GLU 20 10.477 -6.215 -6.330 142 HB2 GLU 20 2HB GLU 20 9.761 -7.422 -8.366 143 HB3 GLU 20 1HB GLU 20 11.289 -8.016 -7.728 144 HG2 GLU 20 2HG GLU 20 10.259 -9.960 -6.834 145 HG3 GLU 20 1HG GLU 20 8.650 -9.321 -7.151 146 H ASP 21 H ASP 21 8.438 -8.675 -5.051 147 HA ASP 21 HA ASP 21 5.967 -7.377 -5.801 148 HB2 ASP 21 2HB ASP 21 4.950 -9.419 -4.814 149 HB3 ASP 21 1HB ASP 21 6.079 -9.754 -6.114 150 H GLU 22 H GLU 22 8.072 -6.629 -3.636 151 HA GLU 22 HA GLU 22 6.098 -6.067 -1.551 152 HB2 GLU 22 2HB GLU 22 8.075 -7.499 -0.868 153 HB3 GLU 22 1HB GLU 22 9.129 -6.151 -1.278 154 HG2 GLU 22 2HG GLU 22 8.081 -4.820 0.457 155 HG3 GLU 22 1HG GLU 22 6.991 -6.155 0.838 156 H LEU 23 H LEU 23 5.528 -4.021 -1.589 157 HA LEU 23 HA LEU 23 6.449 -2.456 -3.786 158 HG LEU 23 HG LEU 23 4.238 -1.587 -4.750 159 HB2 LEU 23 2HB LEU 23 4.088 -2.763 -2.623 160 HB3 LEU 23 1HB LEU 23 4.594 -1.329 -1.757 161 HD11 LEU 23 1HD1 LEU 23 2.147 -1.556 -3.560 162 HD12 LEU 23 2HD1 LEU 23 2.379 -0.043 -4.434 163 HD13 LEU 23 3HD1 LEU 23 2.633 -0.102 -2.688 164 HD21 LEU 23 3HD2 LEU 23 4.912 0.884 -3.150 165 HD22 LEU 23 1HD2 LEU 23 4.668 0.795 -4.892 166 HD23 LEU 23 2HD2 LEU 23 6.053 -0.005 -4.157 167 H THR 24 H THR 24 8.090 -1.118 -3.794 168 HA THR 24 HA THR 24 9.133 0.063 -1.356 169 HB THR 24 HB THR 24 10.032 0.176 -4.248 170 HG1 THR 24 1HG THR 24 11.200 -1.508 -3.772 171 HG21 THR 24 3HG2 THR 24 11.400 1.274 -1.770 172 HG22 THR 24 1HG2 THR 24 10.759 2.195 -3.121 173 HG23 THR 24 2HG2 THR 24 12.155 1.139 -3.355 174 H PHE 25 H PHE 25 8.408 1.981 -0.704 175 HA PHE 25 HA PHE 25 7.558 3.914 -2.689 176 HD1 PHE 25 2HD PHE 25 6.360 4.378 1.274 177 HD2 PHE 25 1HD PHE 25 4.882 1.142 -1.046 178 HE1 PHE 25 2HE PHE 25 5.769 3.174 3.331 179 HE2 PHE 25 1HE PHE 25 4.294 -0.056 0.971 180 HZ PHE 25 HZ PHE 25 4.730 0.941 3.185 181 HB2 PHE 25 2HB PHE 25 5.634 4.578 -1.192 182 HB3 PHE 25 1HB PHE 25 5.460 3.092 -2.106 183 H ARG 26 H ARG 26 7.338 6.071 -1.919 184 HA ARG 26 HA ARG 26 9.212 6.668 0.242 185 HE ARG 26 HE ARG 26 11.363 8.942 -0.241 186 HB2 ARG 26 2HB ARG 26 8.231 8.357 -2.067 187 HB3 ARG 26 1HB ARG 26 9.257 8.974 -0.793 188 HG2 ARG 26 2HG ARG 26 9.935 6.896 -2.863 189 HG3 ARG 26 1HG ARG 26 10.608 8.518 -2.706 190 HD2 ARG 26 2HD ARG 26 10.983 6.197 -0.813 191 HD3 ARG 26 1HD ARG 26 12.196 6.885 -1.880 192 HH11 ARG 26 1HH1 ARG 26 12.928 5.800 0.163 193 HH12 ARG 26 2HH1 ARG 26 13.752 6.212 1.593 194 HH21 ARG 26 1HH2 ARG 26 12.479 9.526 1.782 195 HH22 ARG 26 2HH2 ARG 26 13.486 8.399 2.537 196 H GLU 27 H GLU 27 8.493 8.934 1.280 197 HA GLU 27 HA GLU 27 5.829 8.406 2.299 198 HB2 GLU 27 2HB GLU 27 7.763 8.825 3.822 199 HB3 GLU 27 1HB GLU 27 7.901 10.443 3.176 200 HG2 GLU 27 2HG GLU 27 5.433 9.449 4.587 201 HG3 GLU 27 1HG GLU 27 6.784 10.178 5.438 202 H GLY 28 H GLY 28 4.124 9.453 1.640 203 HA2 GLY 28 2HA GLY 28 3.068 11.577 1.086 204 HA3 GLY 28 1HA GLY 28 4.504 11.966 0.142 205 H GLU 29 H GLU 29 3.697 8.747 -0.142 206 HA GLU 29 HA GLU 29 2.744 9.227 -2.845 207 HB2 GLU 29 2HB GLU 29 3.764 6.737 -1.480 208 HB3 GLU 29 1HB GLU 29 3.139 6.760 -3.116 209 HG2 GLU 29 2HG GLU 29 5.531 8.301 -2.129 210 HG3 GLU 29 1HG GLU 29 5.583 6.808 -3.062 211 H ILE 30 H ILE 30 0.796 8.676 -3.543 212 HA ILE 30 HA ILE 30 -1.136 7.689 -1.587 213 HB ILE 30 HB ILE 30 -1.617 8.891 -4.338 214 HG12 ILE 30 2HG1 ILE 30 -0.663 10.603 -2.884 215 HG13 ILE 30 1HG1 ILE 30 -2.372 10.923 -3.147 216 HG21 ILE 30 1HG2 ILE 30 -3.552 8.296 -2.102 217 HG22 ILE 30 2HG2 ILE 30 -3.418 7.427 -3.630 218 HG23 ILE 30 3HG2 ILE 30 -3.958 9.106 -3.617 219 HD11 ILE 30 3HD1 ILE 30 -1.721 11.351 -0.849 220 HD12 ILE 30 1HD1 ILE 30 -1.165 9.688 -0.682 221 HD13 ILE 30 2HD1 ILE 30 -2.878 10.023 -0.938 222 H ILE 31 H ILE 31 -1.634 5.660 -1.694 223 HA ILE 31 HA ILE 31 -0.767 4.097 -4.031 224 HB ILE 31 HB ILE 31 -1.298 3.176 -1.181 225 HG12 ILE 31 2HG1 ILE 31 1.321 3.517 -2.658 226 HG13 ILE 31 1HG1 ILE 31 0.737 4.543 -1.355 227 HG21 ILE 31 1HG2 ILE 31 -0.305 1.030 -1.869 228 HG22 ILE 31 2HG2 ILE 31 -0.189 1.624 -3.525 229 HG23 ILE 31 3HG2 ILE 31 -1.771 1.397 -2.784 230 HD11 ILE 31 3HD1 ILE 31 2.423 2.970 -0.575 231 HD12 ILE 31 1HD1 ILE 31 1.432 1.620 -1.122 232 HD13 ILE 31 2HD1 ILE 31 0.867 2.654 0.190 233 H HIS 32 H HIS 32 -2.175 2.770 -5.042 234 HA HIS 32 HA HIS 32 -5.002 3.131 -4.490 235 HD1 HIS 32 1HD HIS 32 -2.670 2.909 -8.641 236 HD2 HIS 32 2HD HIS 32 -5.234 5.130 -6.218 237 HE1 HIS 32 1HE HIS 32 -2.588 5.275 -9.501 238 HB2 HIS 32 2HB HIS 32 -3.593 1.582 -6.701 239 HB3 HIS 32 1HB HIS 32 -5.303 1.978 -6.649 240 H LEU 33 H LEU 33 -5.871 1.731 -3.121 241 HA LEU 33 HA LEU 33 -4.405 -0.558 -2.218 242 HG LEU 33 HG LEU 33 -5.224 -1.210 0.141 243 HB2 LEU 33 2HB LEU 33 -5.933 1.016 -0.870 244 HB3 LEU 33 1HB LEU 33 -7.248 0.160 -1.637 245 HD11 LEU 33 1HD1 LEU 33 -6.373 0.540 1.374 246 HD12 LEU 33 2HD1 LEU 33 -6.916 -1.055 1.886 247 HD13 LEU 33 3HD1 LEU 33 -7.928 -0.078 0.819 248 HD21 LEU 33 3HD2 LEU 33 -8.028 -2.019 -0.642 249 HD22 LEU 33 1HD2 LEU 33 -6.865 -2.962 0.287 250 HD23 LEU 33 2HD2 LEU 33 -6.570 -2.634 -1.421 251 H ILE 34 H ILE 34 -4.563 -2.546 -2.921 252 HA ILE 34 HA ILE 34 -6.528 -3.113 -5.004 253 HB ILE 34 HB ILE 34 -3.849 -4.404 -4.405 254 HG12 ILE 34 2HG1 ILE 34 -3.604 -2.220 -5.420 255 HG13 ILE 34 1HG1 ILE 34 -3.166 -3.468 -6.578 256 HG21 ILE 34 1HG2 ILE 34 -5.776 -5.056 -6.627 257 HG22 ILE 34 2HG2 ILE 34 -5.302 -6.126 -5.292 258 HG23 ILE 34 3HG2 ILE 34 -4.113 -5.615 -6.498 259 HD11 ILE 34 3HD1 ILE 34 -5.363 -3.194 -7.654 260 HD12 ILE 34 1HD1 ILE 34 -4.417 -1.705 -7.642 261 HD13 ILE 34 2HD1 ILE 34 -5.745 -1.909 -6.505 262 H SER 35 H SER 35 -4.936 -4.666 -2.198 263 HA SER 35 HA SER 35 -7.454 -6.024 -1.632 264 HG SER 35 HG SER 35 -6.956 -8.251 -3.448 265 HB2 SER 35 2HB SER 35 -4.832 -7.553 -1.831 266 HB3 SER 35 1HB SER 35 -6.401 -8.214 -1.409 267 H LYS 36 H LYS 36 -7.882 -6.014 0.511 268 HA LYS 36 HA LYS 36 -5.859 -5.056 2.396 269 HB2 LYS 36 2HB LYS 36 -8.811 -5.596 2.639 270 HB3 LYS 36 1HB LYS 36 -7.822 -5.224 4.048 271 HG2 LYS 36 2HG LYS 36 -7.264 -3.076 3.094 272 HG3 LYS 36 1HG LYS 36 -8.175 -3.451 1.641 273 HD2 LYS 36 2HD LYS 36 -10.222 -3.637 3.019 274 HD3 LYS 36 1HD LYS 36 -9.273 -3.170 4.433 275 HE2 LYS 36 2HE LYS 36 -8.743 -1.043 3.433 276 HE3 LYS 36 1HE LYS 36 -9.544 -1.507 1.937 277 HZ1 LYS 36 3HZ LYS 36 -11.623 -1.668 3.262 278 HZ2 LYS 36 1HZ LYS 36 -10.980 -0.129 3.089 279 HZ3 LYS 36 2HZ LYS 36 -10.814 -0.948 4.558 280 H GLU 37 H GLU 37 -7.115 -7.930 1.300 281 HA GLU 37 HA GLU 37 -6.126 -9.357 3.632 282 HB2 GLU 37 2HB GLU 37 -7.647 -11.223 2.814 283 HB3 GLU 37 1HB GLU 37 -8.455 -9.803 3.459 284 HG2 GLU 37 2HG GLU 37 -8.787 -8.987 1.177 285 HG3 GLU 37 1HG GLU 37 -8.066 -10.470 0.550 286 H THR 38 H THR 38 -4.295 -10.335 3.309 287 HA THR 38 HA THR 38 -3.654 -11.421 0.649 288 HB THR 38 HB THR 38 -1.248 -11.136 1.527 289 HG1 THR 38 1HG THR 38 -2.033 -9.042 3.129 290 HG21 THR 38 3HG2 THR 38 -2.189 -9.654 -0.211 291 HG22 THR 38 1HG2 THR 38 -1.150 -8.750 0.892 292 HG23 THR 38 2HG2 THR 38 -2.903 -8.642 1.046 293 H GLY 39 H GLY 39 -5.047 -12.378 3.101 294 HA2 GLY 39 2HA GLY 39 -5.103 -14.642 3.879 295 HA3 GLY 39 1HA GLY 39 -3.333 -14.657 3.820 296 H GLU 40 H GLU 40 -2.661 -12.356 4.875 297 HA GLU 40 HA GLU 40 -3.496 -12.569 7.662 298 HB2 GLU 40 2HB GLU 40 -1.034 -11.457 6.333 299 HB3 GLU 40 1HB GLU 40 -1.454 -10.998 7.968 300 HG2 GLU 40 2HG GLU 40 0.209 -12.772 7.943 301 HG3 GLU 40 1HG GLU 40 -1.293 -13.307 8.675 302 H ALA 41 H ALA 41 -3.736 -10.564 8.853 303 HA ALA 41 HA ALA 41 -4.806 -8.413 7.187 304 HB1 ALA 41 1HB ALA 41 -5.331 -9.042 10.106 305 HB2 ALA 41 2HB ALA 41 -6.441 -9.353 8.773 306 HB3 ALA 41 3HB ALA 41 -6.035 -7.695 9.213 307 H GLY 42 H GLY 42 -2.840 -7.527 6.744 308 HA2 GLY 42 2HA GLY 42 -1.777 -5.627 8.467 309 HA3 GLY 42 1HA GLY 42 -0.793 -7.083 8.631 310 H TRP 43 H TRP 43 -0.720 -8.117 6.180 311 HA TRP 43 HA TRP 43 0.739 -6.139 4.697 312 HD1 TRP 43 HD TRP 43 1.464 -9.901 6.301 313 HE1 TRP 43 1HE TRP 43 3.961 -9.911 6.916 314 HE3 TRP 43 3HE TRP 43 3.212 -6.629 2.779 315 HZ2 TRP 43 2HZ TRP 43 6.350 -8.707 6.044 316 HZ3 TRP 43 3HZ TRP 43 5.616 -6.118 2.736 317 HH2 TRP 43 HH TRP 43 7.153 -7.134 4.335 318 HB2 TRP 43 2HB TRP 43 0.163 -9.059 4.149 319 HB3 TRP 43 1HB TRP 43 1.023 -8.024 3.020 320 H TRP 44 H TRP 44 -0.153 -4.876 3.326 321 HA TRP 44 HA TRP 44 -2.754 -5.568 2.185 322 HD1 TRP 44 HD TRP 44 -3.691 -5.449 4.143 323 HE1 TRP 44 1HE TRP 44 -5.606 -4.499 5.526 324 HE3 TRP 44 3HE TRP 44 -3.299 -0.540 2.782 325 HZ2 TRP 44 2HZ TRP 44 -6.817 -1.980 5.997 326 HZ3 TRP 44 3HZ TRP 44 -4.879 1.075 3.751 327 HH2 TRP 44 HH TRP 44 -6.605 0.362 5.327 328 HB2 TRP 44 2HB TRP 44 -1.469 -2.973 2.939 329 HB3 TRP 44 1HB TRP 44 -2.607 -3.001 1.602 330 H LYS 45 H LYS 45 -3.021 -5.403 0.056 331 HA LYS 45 HA LYS 45 -0.543 -5.303 -1.504 332 HB2 LYS 45 2HB LYS 45 -1.922 -7.391 -1.644 333 HB3 LYS 45 1HB LYS 45 -3.270 -6.407 -2.190 334 HG2 LYS 45 2HG LYS 45 -2.006 -5.806 -4.201 335 HG3 LYS 45 1HG LYS 45 -0.678 -6.832 -3.659 336 HD2 LYS 45 2HD LYS 45 -2.121 -8.787 -3.725 337 HD3 LYS 45 1HD LYS 45 -3.494 -7.780 -4.190 338 HE2 LYS 45 2HE LYS 45 -2.624 -8.855 -6.154 339 HE3 LYS 45 1HE LYS 45 -2.265 -7.134 -6.239 340 HZ1 LYS 45 3HZ LYS 45 -0.394 -9.359 -5.669 341 HZ2 LYS 45 1HZ LYS 45 0.018 -7.742 -5.362 342 HZ3 LYS 45 2HZ LYS 45 -0.368 -8.199 -6.914 343 H GLY 46 H GLY 46 -0.303 -3.672 -2.859 344 HA2 GLY 46 2HA GLY 46 -2.612 -2.070 -3.588 345 HA3 GLY 46 1HA GLY 46 -1.323 -1.275 -2.698 346 H GLU 47 H GLU 47 -1.979 -0.354 -5.069 347 HA GLU 47 HA GLU 47 0.276 -1.116 -6.747 348 HB2 GLU 47 2HB GLU 47 -1.848 -1.837 -7.758 349 HB3 GLU 47 1HB GLU 47 -2.501 -0.229 -7.575 350 HG2 GLU 47 2HG GLU 47 -0.086 -0.720 -9.282 351 HG3 GLU 47 1HG GLU 47 -1.708 -1.017 -9.897 352 H LEU 48 H LEU 48 1.581 0.456 -7.162 353 HA LEU 48 HA LEU 48 0.744 3.213 -6.757 354 HG LEU 48 HG LEU 48 3.701 4.205 -6.235 355 HB2 LEU 48 2HB LEU 48 1.745 2.533 -4.662 356 HB3 LEU 48 1HB LEU 48 3.138 1.896 -5.509 357 HD11 LEU 48 1HD1 LEU 48 2.660 6.084 -5.108 358 HD12 LEU 48 2HD1 LEU 48 1.483 4.993 -4.372 359 HD13 LEU 48 3HD1 LEU 48 1.519 5.205 -6.124 360 HD21 LEU 48 3HD2 LEU 48 4.524 4.947 -4.063 361 HD22 LEU 48 1HD2 LEU 48 4.781 3.221 -4.310 362 HD23 LEU 48 2HD2 LEU 48 3.471 3.779 -3.267 363 H ASN 49 H ASN 49 1.096 4.084 -8.647 364 HA ASN 49 HA ASN 49 2.175 4.997 -10.425 365 HB2 ASN 49 2HB ASN 49 4.669 4.002 -9.041 366 HB3 ASN 49 1HB ASN 49 4.659 5.110 -10.405 367 HD21 ASN 49 1HD2 ASN 49 5.695 5.406 -7.709 368 HD22 ASN 49 2HD2 ASN 49 4.932 6.784 -7.016 369 H GLY 50 H GLY 50 1.377 2.103 -10.339 370 HA2 GLY 50 2HA GLY 50 1.230 0.887 -12.377 371 HA3 GLY 50 1HA GLY 50 2.885 1.356 -12.741 372 H LYS 51 H LYS 51 3.257 0.689 -9.662 373 HA LYS 51 HA LYS 51 3.893 -2.113 -10.273 374 HB2 LYS 51 2HB LYS 51 5.012 -0.383 -8.057 375 HB3 LYS 51 1HB LYS 51 5.476 -2.036 -8.399 376 HG2 LYS 51 2HG LYS 51 7.192 -0.742 -9.223 377 HG3 LYS 51 1HG LYS 51 6.273 -1.181 -10.653 378 HD2 LYS 51 2HD LYS 51 5.115 0.987 -10.593 379 HD3 LYS 51 1HD LYS 51 6.047 1.446 -9.173 380 HE2 LYS 51 2HE LYS 51 8.080 1.384 -10.452 381 HE3 LYS 51 1HE LYS 51 7.213 0.808 -11.879 382 HZ1 LYS 51 3HZ LYS 51 6.817 3.414 -10.523 383 HZ2 LYS 51 1HZ LYS 51 5.947 2.880 -11.861 384 HZ3 LYS 51 2HZ LYS 51 7.584 3.197 -12.000 385 H GLU 52 H GLU 52 3.103 -3.683 -9.051 386 HA GLU 52 HA GLU 52 1.510 -2.835 -6.785 387 HB2 GLU 52 2HB GLU 52 -0.092 -4.717 -7.248 388 HB3 GLU 52 1HB GLU 52 -0.256 -3.417 -8.377 389 HG2 GLU 52 2HG GLU 52 -0.339 -5.190 -9.804 390 HG3 GLU 52 1HG GLU 52 1.408 -4.995 -9.772 391 H GLY 53 H GLY 53 1.416 -4.161 -5.033 392 HA2 GLY 53 2HA GLY 53 2.680 -6.644 -4.851 393 HA3 GLY 53 1HA GLY 53 3.829 -5.383 -4.405 394 H VAL 54 H VAL 54 3.766 -6.369 -2.299 395 HA VAL 54 HA VAL 54 1.382 -5.528 -0.814 396 HB VAL 54 HB VAL 54 1.937 -7.207 0.912 397 HG11 VAL 54 1HG1 VAL 54 0.309 -7.783 -0.774 398 HG12 VAL 54 2HG1 VAL 54 1.243 -9.208 -0.322 399 HG13 VAL 54 3HG1 VAL 54 1.582 -8.371 -1.839 400 HG21 VAL 54 3HG2 VAL 54 4.333 -7.426 0.550 401 HG22 VAL 54 1HG2 VAL 54 4.051 -8.140 -1.036 402 HG23 VAL 54 2HG2 VAL 54 3.566 -9.008 0.419 403 H PHE 55 H PHE 55 1.660 -4.653 1.205 404 HA PHE 55 HA PHE 55 4.306 -3.894 2.029 405 HD1 PHE 55 2HD PHE 55 1.401 -2.258 -0.591 406 HD2 PHE 55 1HD PHE 55 1.872 -0.671 3.333 407 HE1 PHE 55 2HE PHE 55 -0.845 -1.264 -0.720 408 HE2 PHE 55 1HE PHE 55 -0.368 0.326 3.201 409 HZ PHE 55 HZ PHE 55 -1.729 0.033 1.175 410 HB2 PHE 55 2HB PHE 55 3.783 -1.516 2.100 411 HB3 PHE 55 1HB PHE 55 3.595 -2.145 0.453 412 HA PRO 56 HA PRO 56 2.105 -4.414 5.863 413 HB2 PRO 56 2HB PRO 56 3.973 -2.678 7.278 414 HB3 PRO 56 1HB PRO 56 3.809 -4.430 7.372 415 HG2 PRO 56 2HG PRO 56 5.967 -3.235 6.233 416 HG3 PRO 56 1HG PRO 56 5.346 -4.805 5.697 417 HD2 PRO 56 2HD PRO 56 4.905 -2.093 4.506 418 HD3 PRO 56 1HD PRO 56 5.289 -3.630 3.702 419 H ASP 57 H ASP 57 0.369 -3.486 6.565 420 HA ASP 57 HA ASP 57 -0.694 -1.052 5.885 421 HB2 ASP 57 2HB ASP 57 -2.200 -2.674 6.602 422 HB3 ASP 57 1HB ASP 57 -1.337 -3.013 8.079 423 H ASN 58 H ASN 58 1.438 -1.665 8.562 424 HA ASN 58 HA ASN 58 0.769 0.654 10.068 425 HB2 ASN 58 2HB ASN 58 2.695 0.247 11.446 426 HB3 ASN 58 1HB ASN 58 1.936 -1.292 11.083 427 HD21 ASN 58 1HD2 ASN 58 3.079 -2.814 9.896 428 HD22 ASN 58 2HD2 ASN 58 4.755 -2.624 9.537 429 H PHE 59 H PHE 59 2.433 0.496 7.148 430 HA PHE 59 HA PHE 59 4.001 2.890 7.745 431 HD1 PHE 59 1HD PHE 59 6.834 2.869 6.763 432 HD2 PHE 59 2HD PHE 59 4.752 -0.825 6.670 433 HE1 PHE 59 1HE PHE 59 8.747 1.778 7.842 434 HE2 PHE 59 2HE PHE 59 6.671 -1.934 7.758 435 HZ PHE 59 HZ PHE 59 8.664 -0.627 8.344 436 HB2 PHE 59 2HB PHE 59 4.014 1.051 5.359 437 HB3 PHE 59 1HB PHE 59 4.882 2.579 5.381 438 H ALA 60 H ALA 60 0.916 2.258 6.611 439 HA ALA 60 HA ALA 60 0.852 4.851 5.280 440 HB1 ALA 60 1HB ALA 60 -0.310 2.339 4.084 441 HB2 ALA 60 2HB ALA 60 1.125 3.178 3.499 442 HB3 ALA 60 3HB ALA 60 -0.451 3.966 3.420 443 H VAL 61 H VAL 61 -1.320 5.683 5.070 444 HA VAL 61 HA VAL 61 -3.245 4.373 6.838 445 HB VAL 61 HB VAL 61 -2.250 6.324 8.027 446 HG11 VAL 61 1HG1 VAL 61 -3.412 7.985 5.800 447 HG12 VAL 61 2HG1 VAL 61 -1.705 7.754 6.164 448 HG13 VAL 61 3HG1 VAL 61 -2.742 8.611 7.305 449 HG21 VAL 61 3HG2 VAL 61 -4.520 5.677 8.592 450 HG22 VAL 61 1HG2 VAL 61 -5.154 6.677 7.284 451 HG23 VAL 61 2HG2 VAL 61 -4.362 7.431 8.666 452 H GLN 62 H GLN 62 -5.243 4.197 6.024 453 HA GLN 62 HA GLN 62 -5.603 4.928 3.315 454 HB2 GLN 62 2HB GLN 62 -6.556 2.851 3.998 455 HB3 GLN 62 1HB GLN 62 -7.429 3.617 5.317 456 HG2 GLN 62 2HG GLN 62 -8.888 4.720 3.815 457 HG3 GLN 62 1HG GLN 62 -7.905 4.262 2.435 458 HE21 GLN 62 1HE2 GLN 62 -9.742 3.443 1.533 459 HE22 GLN 62 2HE2 GLN 62 -10.374 1.893 1.947 460 H ILE 63 H ILE 63 -6.216 6.754 2.612 461 HA ILE 63 HA ILE 63 -7.317 8.705 4.458 462 HB ILE 63 HB ILE 63 -6.918 10.346 2.642 463 HG12 ILE 63 2HG1 ILE 63 -5.598 8.014 1.212 464 HG13 ILE 63 1HG1 ILE 63 -7.092 8.799 0.721 465 HG21 ILE 63 1HG2 ILE 63 -4.450 10.339 2.838 466 HG22 ILE 63 2HG2 ILE 63 -4.520 8.690 3.457 467 HG23 ILE 63 3HG2 ILE 63 -5.243 10.007 4.378 468 HD11 ILE 63 3HD1 ILE 63 -4.366 10.071 0.805 469 HD12 ILE 63 1HD1 ILE 63 -5.858 10.867 0.309 470 HD13 ILE 63 2HD1 ILE 63 -5.223 9.524 -0.639 471 H SER 64 H SER 64 -8.249 6.710 1.842 472 HA SER 64 HA SER 64 -10.942 7.647 2.096 473 HG SER 64 HG SER 64 -11.444 8.301 -1.382 474 HB2 SER 64 2HB SER 64 -9.859 9.030 0.257 475 HB3 SER 64 1HB SER 64 -9.593 7.527 -0.620 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -11.526 -10.199 4.717 2 H2 GLY 1 2HT GLY 1 -12.675 -11.176 5.504 3 H3 GLY 1 3HT GLY 1 -12.135 -9.756 6.239 4 HA2 GLY 1 1HA GLY 1 -13.654 -9.948 3.711 5 HA3 GLY 1 2HA GLY 1 -14.325 -9.488 5.268 6 H ALA 2 H ALA 2 -11.484 -8.584 3.262 7 HA ALA 2 HA ALA 2 -12.433 -5.842 3.348 8 HB1 ALA 2 1HB ALA 2 -10.900 -6.082 5.244 9 HB2 ALA 2 2HB ALA 2 -10.284 -4.988 4.021 10 HB3 ALA 2 3HB ALA 2 -9.632 -6.633 4.147 11 H MET 3 H MET 3 -11.687 -4.580 1.588 12 HA MET 3 HA MET 3 -10.203 -6.029 -0.477 13 HB2 MET 3 2HB MET 3 -11.844 -5.476 -2.176 14 HB3 MET 3 1HB MET 3 -12.637 -6.381 -0.899 15 HG2 MET 3 2HG MET 3 -13.565 -4.284 0.002 16 HG3 MET 3 1HG MET 3 -12.755 -3.389 -1.275 17 HE1 MET 3 3HE MET 3 -13.315 -3.716 -3.882 18 HE2 MET 3 1HE MET 3 -14.651 -4.703 -4.477 19 HE3 MET 3 2HE MET 3 -13.229 -5.474 -3.786 20 H GLY 4 H GLY 4 -10.420 -4.174 -2.485 21 HA2 GLY 4 2HA GLY 4 -9.864 -1.545 -1.377 22 HA3 GLY 4 1HA GLY 4 -8.658 -2.306 -2.424 23 H ALA 5 H ALA 5 -11.933 -1.149 -2.237 24 HA ALA 5 HA ALA 5 -12.484 -1.684 -5.024 25 HB1 ALA 5 1HB ALA 5 -14.270 -1.817 -3.348 26 HB2 ALA 5 2HB ALA 5 -14.636 -0.617 -4.592 27 HB3 ALA 5 3HB ALA 5 -14.058 -0.101 -3.008 28 H LYS 6 H LYS 6 -12.434 1.218 -3.100 29 HA LYS 6 HA LYS 6 -11.073 2.657 -5.241 30 HB2 LYS 6 2HB LYS 6 -12.668 4.531 -5.103 31 HB3 LYS 6 1HB LYS 6 -13.442 3.058 -5.665 32 HG2 LYS 6 2HG LYS 6 -14.376 2.702 -3.418 33 HG3 LYS 6 1HG LYS 6 -13.595 4.185 -2.875 34 HD2 LYS 6 2HD LYS 6 -15.939 4.597 -3.379 35 HD3 LYS 6 1HD LYS 6 -14.904 5.464 -4.513 36 HE2 LYS 6 2HE LYS 6 -15.258 3.742 -6.193 37 HE3 LYS 6 1HE LYS 6 -16.232 2.807 -5.060 38 HZ1 LYS 6 3HZ LYS 6 -17.830 4.601 -5.033 39 HZ2 LYS 6 1HZ LYS 6 -17.576 4.051 -6.609 40 HZ3 LYS 6 2HZ LYS 6 -16.877 5.500 -6.107 41 H GLU 7 H GLU 7 -10.522 1.562 -2.658 42 HA GLU 7 HA GLU 7 -10.283 3.848 -0.905 43 HB2 GLU 7 2HB GLU 7 -9.396 0.966 -0.425 44 HB3 GLU 7 1HB GLU 7 -9.341 2.244 0.776 45 HG2 GLU 7 2HG GLU 7 -11.196 0.927 1.306 46 HG3 GLU 7 1HG GLU 7 -11.824 2.410 0.614 47 H TYR 8 H TYR 8 -8.439 4.890 -0.510 48 HA TYR 8 HA TYR 8 -6.015 3.944 -1.886 49 HD1 TYR 8 1HD TYR 8 -8.967 6.547 -2.612 50 HD2 TYR 8 2HD TYR 8 -5.287 5.633 -4.510 51 HE1 TYR 8 1HE TYR 8 -10.077 6.639 -4.775 52 HE2 TYR 8 2HE TYR 8 -6.391 5.717 -6.700 53 HH TYR 8 HH TYR 8 -9.594 6.950 -7.020 54 HB2 TYR 8 2HB TYR 8 -6.771 6.849 -1.460 55 HB3 TYR 8 1HB TYR 8 -5.328 6.246 -2.226 56 H CYS 9 H CYS 9 -4.076 4.649 -0.876 57 HA CYS 9 HA CYS 9 -4.407 5.344 1.915 58 HG CYS 9 HG CYS 9 -2.913 3.007 -0.795 59 HB2 CYS 9 2HB CYS 9 -2.655 3.574 2.441 60 HB3 CYS 9 1HB CYS 9 -4.269 2.998 2.050 61 H ARG 10 H ARG 10 -2.941 6.717 2.638 62 HA ARG 10 HA ARG 10 -0.854 7.460 0.749 63 HE ARG 10 HE ARG 10 1.435 11.324 3.330 64 HB2 ARG 10 2HB ARG 10 -2.196 9.394 1.362 65 HB3 ARG 10 1HB ARG 10 -1.982 9.048 3.077 66 HG2 ARG 10 2HG ARG 10 0.422 9.410 2.860 67 HG3 ARG 10 1HG ARG 10 0.220 9.755 1.154 68 HD2 ARG 10 2HD ARG 10 -0.905 11.782 1.626 69 HD3 ARG 10 1HD ARG 10 -1.073 11.365 3.341 70 HH11 ARG 10 1HH1 ARG 10 -0.374 13.575 1.276 71 HH12 ARG 10 2HH1 ARG 10 0.870 14.709 1.174 72 HH21 ARG 10 1HH2 ARG 10 3.155 12.832 3.203 73 HH22 ARG 10 2HH2 ARG 10 2.947 14.301 2.354 74 H THR 11 H THR 11 1.145 7.291 1.212 75 HA THR 11 HA THR 11 2.213 5.535 3.072 76 HB THR 11 HB THR 11 4.310 6.629 2.313 77 HG1 THR 11 1HG THR 11 2.763 8.623 2.143 78 HG21 THR 11 3HG2 THR 11 2.239 6.132 0.151 79 HG22 THR 11 1HG2 THR 11 3.205 4.883 0.936 80 HG23 THR 11 2HG2 THR 11 3.987 6.106 -0.070 81 H LEU 12 H LEU 12 2.862 5.873 5.182 82 HA LEU 12 HA LEU 12 2.896 8.639 6.196 83 HG LEU 12 HG LEU 12 0.598 6.609 6.603 84 HB2 LEU 12 2HB LEU 12 2.760 6.008 7.663 85 HB3 LEU 12 1HB LEU 12 2.790 7.581 8.430 86 HD11 LEU 12 1HD1 LEU 12 -0.715 6.361 8.665 87 HD12 LEU 12 2HD1 LEU 12 0.686 6.838 9.605 88 HD13 LEU 12 3HD1 LEU 12 0.713 5.330 8.692 89 HD21 LEU 12 3HD2 LEU 12 0.825 9.023 6.606 90 HD22 LEU 12 1HD2 LEU 12 0.833 9.046 8.371 91 HD23 LEU 12 2HD2 LEU 12 -0.617 8.551 7.500 92 H PHE 13 H PHE 13 4.825 5.965 5.387 93 HA PHE 13 HA PHE 13 7.237 7.256 6.342 94 HD1 PHE 13 1HD PHE 13 8.522 6.849 8.860 95 HD2 PHE 13 2HD PHE 13 4.875 4.667 8.748 96 HE1 PHE 13 1HE PHE 13 8.064 7.500 11.189 97 HE2 PHE 13 2HE PHE 13 4.411 5.324 11.074 98 HZ PHE 13 HZ PHE 13 6.004 6.740 12.293 99 HB2 PHE 13 2HB PHE 13 6.445 4.407 7.051 100 HB3 PHE 13 1HB PHE 13 8.078 5.022 7.184 101 HA PRO 14 HA PRO 14 8.423 5.388 2.441 102 HB2 PRO 14 2HB PRO 14 11.122 5.329 2.734 103 HB3 PRO 14 1HB PRO 14 10.253 6.833 2.403 104 HG2 PRO 14 2HG PRO 14 11.292 5.778 4.999 105 HG3 PRO 14 1HG PRO 14 11.343 7.429 4.364 106 HD2 PRO 14 2HD PRO 14 9.511 6.610 6.201 107 HD3 PRO 14 1HD PRO 14 9.179 7.875 5.004 108 H TYR 15 H TYR 15 9.005 3.340 1.741 109 HA TYR 15 HA TYR 15 9.879 1.425 3.758 110 HD1 TYR 15 1HD TYR 15 8.780 -0.459 5.129 111 HD2 TYR 15 2HD TYR 15 7.174 -1.039 1.245 112 HE1 TYR 15 1HE TYR 15 8.717 -2.878 5.527 113 HE2 TYR 15 2HE TYR 15 7.117 -3.453 1.618 114 HH TYR 15 HH TYR 15 8.111 -5.144 3.040 115 HB2 TYR 15 2HB TYR 15 7.443 1.358 3.769 116 HB3 TYR 15 1HB TYR 15 7.426 1.119 2.031 117 H THR 16 H THR 16 11.292 0.014 2.956 118 HA THR 16 HA THR 16 11.750 0.062 0.073 119 HB THR 16 HB THR 16 13.621 -0.894 2.244 120 HG1 THR 16 1HG THR 16 14.155 1.098 2.588 121 HG21 THR 16 3HG2 THR 16 14.132 -1.661 -0.036 122 HG22 THR 16 1HG2 THR 16 15.338 -0.499 0.515 123 HG23 THR 16 2HG2 THR 16 14.081 0.004 -0.614 124 H GLY 17 H GLY 17 11.348 -1.768 -1.027 125 HA2 GLY 17 2HA GLY 17 10.556 -4.130 0.438 126 HA3 GLY 17 1HA GLY 17 10.430 -3.874 -1.303 127 H THR 18 H THR 18 11.649 -6.036 0.462 128 HA THR 18 HA THR 18 14.438 -5.852 -0.354 129 HB THR 18 HB THR 18 13.986 -6.625 1.976 130 HG1 THR 18 1HG THR 18 15.814 -7.555 1.426 131 HG21 THR 18 3HG2 THR 18 11.832 -7.724 1.635 132 HG22 THR 18 1HG2 THR 18 12.987 -8.841 2.364 133 HG23 THR 18 2HG2 THR 18 12.606 -8.962 0.646 134 H ASN 19 H ASN 19 11.494 -7.014 -1.280 135 HA ASN 19 HA ASN 19 12.761 -8.623 -3.293 136 HB2 ASN 19 2HB ASN 19 10.928 -10.194 -3.297 137 HB3 ASN 19 1HB ASN 19 11.644 -10.148 -1.701 138 HD21 ASN 19 1HD2 ASN 19 10.359 -9.515 0.022 139 HD22 ASN 19 2HD2 ASN 19 8.670 -9.240 -0.143 140 H GLU 20 H GLU 20 11.063 -8.892 -5.159 141 HA GLU 20 HA GLU 20 10.643 -6.183 -5.968 142 HB2 GLU 20 2HB GLU 20 10.314 -8.806 -7.381 143 HB3 GLU 20 1HB GLU 20 9.960 -7.256 -8.137 144 HG2 GLU 20 2HG GLU 20 12.610 -7.934 -6.900 145 HG3 GLU 20 1HG GLU 20 12.233 -8.153 -8.611 146 H ASP 21 H ASP 21 8.595 -8.730 -4.867 147 HA ASP 21 HA ASP 21 6.196 -7.423 -5.823 148 HB2 ASP 21 2HB ASP 21 6.248 -9.857 -5.761 149 HB3 ASP 21 1HB ASP 21 6.567 -9.841 -4.033 150 H GLU 22 H GLU 22 8.224 -7.135 -3.248 151 HA GLU 22 HA GLU 22 6.265 -6.051 -1.416 152 HB2 GLU 22 2HB GLU 22 8.299 -7.392 -0.729 153 HB3 GLU 22 1HB GLU 22 9.283 -6.050 -1.263 154 HG2 GLU 22 2HG GLU 22 8.476 -4.656 0.448 155 HG3 GLU 22 1HG GLU 22 7.194 -5.799 0.863 156 H LEU 23 H LEU 23 5.527 -4.116 -1.870 157 HA LEU 23 HA LEU 23 6.718 -2.604 -3.963 158 HG LEU 23 HG LEU 23 3.365 -1.082 -4.527 159 HB2 LEU 23 2HB LEU 23 4.229 -2.994 -3.600 160 HB3 LEU 23 1HB LEU 23 4.318 -1.848 -2.293 161 HD11 LEU 23 1HD1 LEU 23 3.940 0.535 -2.806 162 HD12 LEU 23 2HD1 LEU 23 4.432 1.166 -4.381 163 HD13 LEU 23 3HD1 LEU 23 5.635 0.484 -3.289 164 HD21 LEU 23 3HD2 LEU 23 5.045 -2.071 -5.963 165 HD22 LEU 23 1HD2 LEU 23 6.271 -1.008 -5.276 166 HD23 LEU 23 2HD2 LEU 23 4.939 -0.329 -6.216 167 H THR 24 H THR 24 7.762 -0.750 -3.928 168 HA THR 24 HA THR 24 8.782 0.126 -1.325 169 HB THR 24 HB THR 24 9.922 0.358 -4.119 170 HG1 THR 24 1HG THR 24 9.831 -1.684 -2.867 171 HG21 THR 24 3HG2 THR 24 11.989 1.155 -2.998 172 HG22 THR 24 1HG2 THR 24 11.127 1.166 -1.459 173 HG23 THR 24 2HG2 THR 24 10.640 2.266 -2.744 174 H PHE 25 H PHE 25 8.099 2.042 -0.602 175 HA PHE 25 HA PHE 25 7.322 4.058 -2.519 176 HD1 PHE 25 2HD PHE 25 5.628 4.503 1.365 177 HD2 PHE 25 1HD PHE 25 4.997 1.042 -1.007 178 HE1 PHE 25 2HE PHE 25 4.999 3.256 3.366 179 HE2 PHE 25 1HE PHE 25 4.359 -0.222 0.986 180 HZ PHE 25 HZ PHE 25 4.357 0.873 3.184 181 HB2 PHE 25 2HB PHE 25 5.330 4.634 -1.069 182 HB3 PHE 25 1HB PHE 25 5.212 3.170 -2.032 183 H ARG 26 H ARG 26 7.042 6.187 -1.611 184 HA ARG 26 HA ARG 26 9.040 6.750 0.498 185 HE ARG 26 HE ARG 26 11.820 7.831 -3.967 186 HB2 ARG 26 2HB ARG 26 7.942 8.507 -1.693 187 HB3 ARG 26 1HB ARG 26 9.268 8.893 -0.608 188 HG2 ARG 26 2HG ARG 26 10.690 7.325 -1.631 189 HG3 ARG 26 1HG ARG 26 9.347 6.593 -2.519 190 HD2 ARG 26 2HD ARG 26 9.025 8.673 -3.730 191 HD3 ARG 26 1HD ARG 26 10.386 9.393 -2.879 192 HH11 ARG 26 1HH1 ARG 26 8.494 7.851 -5.272 193 HH12 ARG 26 2HH1 ARG 26 8.969 7.447 -6.840 194 HH21 ARG 26 1HH2 ARG 26 12.452 7.231 -6.161 195 HH22 ARG 26 2HH2 ARG 26 11.262 7.117 -7.378 196 H GLU 27 H GLU 27 8.409 8.930 1.637 197 HA GLU 27 HA GLU 27 5.646 8.695 2.471 198 HB2 GLU 27 2HB GLU 27 7.568 9.068 4.094 199 HB3 GLU 27 1HB GLU 27 7.745 10.673 3.420 200 HG2 GLU 27 2HG GLU 27 5.277 9.653 4.849 201 HG3 GLU 27 1HG GLU 27 6.537 10.630 5.585 202 H GLY 28 H GLY 28 4.224 9.627 1.321 203 HA2 GLY 28 2HA GLY 28 3.268 11.874 0.860 204 HA3 GLY 28 1HA GLY 28 4.811 12.241 0.096 205 H GLU 29 H GLU 29 3.436 9.066 -0.300 206 HA GLU 29 HA GLU 29 2.671 9.853 -3.003 207 HB2 GLU 29 2HB GLU 29 3.924 7.214 -2.172 208 HB3 GLU 29 1HB GLU 29 3.466 7.670 -3.809 209 HG2 GLU 29 2HG GLU 29 5.108 9.532 -3.702 210 HG3 GLU 29 1HG GLU 29 5.611 8.956 -2.122 211 H ILE 30 H ILE 30 0.868 8.799 -3.888 212 HA ILE 30 HA ILE 30 -0.971 7.799 -1.839 213 HB ILE 30 HB ILE 30 -1.551 8.865 -4.625 214 HG12 ILE 30 2HG1 ILE 30 -0.854 10.642 -3.069 215 HG13 ILE 30 1HG1 ILE 30 -2.547 10.808 -3.503 216 HG21 ILE 30 1HG2 ILE 30 -3.192 7.185 -3.998 217 HG22 ILE 30 2HG2 ILE 30 -3.929 8.785 -3.996 218 HG23 ILE 30 3HG2 ILE 30 -3.494 8.018 -2.473 219 HD11 ILE 30 3HD1 ILE 30 -1.472 9.689 -0.917 220 HD12 ILE 30 1HD1 ILE 30 -3.178 9.812 -1.353 221 HD13 ILE 30 2HD1 ILE 30 -2.210 11.273 -1.155 222 H ILE 31 H ILE 31 -1.348 5.717 -1.793 223 HA ILE 31 HA ILE 31 -0.580 4.119 -4.123 224 HB ILE 31 HB ILE 31 -1.039 3.239 -1.248 225 HG12 ILE 31 2HG1 ILE 31 1.571 3.614 -2.739 226 HG13 ILE 31 1HG1 ILE 31 0.950 4.689 -1.490 227 HG21 ILE 31 1HG2 ILE 31 0.110 1.729 -3.603 228 HG22 ILE 31 2HG2 ILE 31 -1.463 1.449 -2.858 229 HG23 ILE 31 3HG2 ILE 31 0.012 1.126 -1.947 230 HD11 ILE 31 3HD1 ILE 31 1.105 2.887 0.141 231 HD12 ILE 31 1HD1 ILE 31 2.665 3.196 -0.625 232 HD13 ILE 31 2HD1 ILE 31 1.704 1.799 -1.113 233 H HIS 32 H HIS 32 -2.080 2.851 -5.084 234 HA HIS 32 HA HIS 32 -4.868 3.303 -4.395 235 HD1 HIS 32 1HD HIS 32 -6.429 3.835 -7.641 236 HD2 HIS 32 2HD HIS 32 -5.819 -0.069 -6.341 237 HE1 HIS 32 1HE HIS 32 -8.510 2.578 -8.215 238 HB2 HIS 32 2HB HIS 32 -4.093 3.451 -6.766 239 HB3 HIS 32 1HB HIS 32 -3.566 1.778 -6.690 240 H LEU 33 H LEU 33 -5.718 1.959 -2.973 241 HA LEU 33 HA LEU 33 -4.287 -0.362 -2.128 242 HG LEU 33 HG LEU 33 -4.910 -0.759 0.385 243 HB2 LEU 33 2HB LEU 33 -5.554 1.366 -0.730 244 HB3 LEU 33 1HB LEU 33 -7.015 0.612 -1.300 245 HD11 LEU 33 1HD1 LEU 33 -6.518 -0.479 2.194 246 HD12 LEU 33 2HD1 LEU 33 -7.568 0.443 1.116 247 HD13 LEU 33 3HD1 LEU 33 -5.982 1.077 1.557 248 HD21 LEU 33 3HD2 LEU 33 -7.748 -1.577 -0.198 249 HD22 LEU 33 1HD2 LEU 33 -6.531 -2.478 0.701 250 HD23 LEU 33 2HD2 LEU 33 -6.343 -2.237 -1.037 251 H ILE 34 H ILE 34 -4.566 -2.312 -2.945 252 HA ILE 34 HA ILE 34 -6.815 -2.784 -4.737 253 HB ILE 34 HB ILE 34 -4.202 -4.290 -4.393 254 HG12 ILE 34 2HG1 ILE 34 -5.257 -2.550 -6.640 255 HG13 ILE 34 1HG1 ILE 34 -3.893 -2.206 -5.579 256 HG21 ILE 34 1HG2 ILE 34 -6.472 -4.881 -6.279 257 HG22 ILE 34 2HG2 ILE 34 -5.904 -5.903 -4.950 258 HG23 ILE 34 3HG2 ILE 34 -4.865 -5.605 -6.351 259 HD11 ILE 34 3HD1 ILE 34 -3.265 -2.925 -7.840 260 HD12 ILE 34 1HD1 ILE 34 -4.009 -4.484 -7.526 261 HD13 ILE 34 2HD1 ILE 34 -2.613 -3.967 -6.568 262 H SER 35 H SER 35 -5.258 -4.089 -1.837 263 HA SER 35 HA SER 35 -7.755 -5.208 -1.018 264 HG SER 35 HG SER 35 -6.557 -8.442 -0.363 265 HB2 SER 35 2HB SER 35 -6.893 -6.993 -2.535 266 HB3 SER 35 1HB SER 35 -5.457 -7.114 -1.525 267 H LYS 36 H LYS 36 -7.845 -5.363 1.140 268 HA LYS 36 HA LYS 36 -5.537 -4.505 2.686 269 HB2 LYS 36 2HB LYS 36 -8.420 -4.972 3.406 270 HB3 LYS 36 1HB LYS 36 -7.205 -4.474 4.575 271 HG2 LYS 36 2HG LYS 36 -6.917 -2.389 3.529 272 HG3 LYS 36 1HG LYS 36 -7.793 -2.882 2.094 273 HD2 LYS 36 2HD LYS 36 -9.848 -3.073 3.485 274 HD3 LYS 36 1HD LYS 36 -8.928 -2.429 4.847 275 HE2 LYS 36 2HE LYS 36 -8.529 -0.377 3.679 276 HE3 LYS 36 1HE LYS 36 -9.234 -1.027 2.203 277 HZ1 LYS 36 3HZ LYS 36 -10.706 0.466 3.429 278 HZ2 LYS 36 1HZ LYS 36 -10.723 -0.611 4.729 279 HZ3 LYS 36 2HZ LYS 36 -11.370 -1.090 3.256 280 H GLU 37 H GLU 37 -6.890 -7.393 1.683 281 HA GLU 37 HA GLU 37 -5.414 -8.730 3.794 282 HB2 GLU 37 2HB GLU 37 -6.991 -10.621 3.707 283 HB3 GLU 37 1HB GLU 37 -7.741 -9.143 4.277 284 HG2 GLU 37 2HG GLU 37 -8.811 -8.835 2.128 285 HG3 GLU 37 1HG GLU 37 -7.998 -10.270 1.497 286 H THR 38 H THR 38 -3.944 -10.080 3.177 287 HA THR 38 HA THR 38 -3.871 -10.866 0.351 288 HB THR 38 HB THR 38 -1.340 -10.756 0.691 289 HG1 THR 38 1HG THR 38 -1.844 -8.893 2.724 290 HG21 THR 38 3HG2 THR 38 -2.550 -9.070 -0.616 291 HG22 THR 38 1HG2 THR 38 -1.250 -8.323 0.316 292 HG23 THR 38 2HG2 THR 38 -2.920 -8.183 0.865 293 H GLY 39 H GLY 39 -4.884 -12.223 2.802 294 HA2 GLY 39 2HA GLY 39 -4.825 -14.562 3.210 295 HA3 GLY 39 1HA GLY 39 -3.104 -14.561 2.803 296 H GLU 40 H GLU 40 -2.366 -12.321 4.117 297 HA GLU 40 HA GLU 40 -2.561 -13.055 6.937 298 HB2 GLU 40 2HB GLU 40 -0.283 -13.025 6.054 299 HB3 GLU 40 1HB GLU 40 -0.537 -11.433 5.365 300 HG2 GLU 40 2HG GLU 40 0.838 -11.273 7.336 301 HG3 GLU 40 1HG GLU 40 -0.709 -10.492 7.622 302 H ALA 41 H ALA 41 -3.287 -11.529 8.368 303 HA ALA 41 HA ALA 41 -4.660 -9.235 7.208 304 HB1 ALA 41 1HB ALA 41 -5.959 -10.680 8.711 305 HB2 ALA 41 2HB ALA 41 -5.784 -9.065 9.396 306 HB3 ALA 41 3HB ALA 41 -4.795 -10.390 10.003 307 H GLY 42 H GLY 42 -3.280 -7.632 6.937 308 HA2 GLY 42 2HA GLY 42 -2.378 -5.845 8.615 309 HA3 GLY 42 1HA GLY 42 -1.217 -7.131 8.947 310 H TRP 43 H TRP 43 -1.391 -8.049 6.174 311 HA TRP 43 HA TRP 43 0.346 -6.031 5.025 312 HD1 TRP 43 HD TRP 43 1.152 -8.964 7.107 313 HE1 TRP 43 1HE TRP 43 3.644 -8.885 7.751 314 HE3 TRP 43 3HE TRP 43 3.074 -7.184 2.718 315 HZ2 TRP 43 2HZ TRP 43 6.098 -8.188 6.553 316 HZ3 TRP 43 3HZ TRP 43 5.496 -6.835 2.549 317 HH2 TRP 43 HH TRP 43 6.979 -7.329 4.425 318 HB2 TRP 43 2HB TRP 43 0.036 -8.980 4.507 319 HB3 TRP 43 1HB TRP 43 0.868 -7.930 3.367 320 H TRP 44 H TRP 44 -0.245 -4.887 3.408 321 HA TRP 44 HA TRP 44 -2.873 -5.369 2.216 322 HD1 TRP 44 HD TRP 44 -3.478 -5.040 4.439 323 HE1 TRP 44 1HE TRP 44 -5.123 -3.837 5.954 324 HE3 TRP 44 3HE TRP 44 -2.933 -0.305 2.605 325 HZ2 TRP 44 2HZ TRP 44 -6.086 -1.215 6.355 326 HZ3 TRP 44 3HZ TRP 44 -4.258 1.504 3.630 327 HH2 TRP 44 HH TRP 44 -5.805 1.045 5.464 328 HB2 TRP 44 2HB TRP 44 -1.276 -2.877 2.757 329 HB3 TRP 44 1HB TRP 44 -2.575 -2.895 1.579 330 H LYS 45 H LYS 45 -3.080 -4.952 0.062 331 HA LYS 45 HA LYS 45 -0.601 -5.125 -1.504 332 HB2 LYS 45 2HB LYS 45 -2.020 -7.158 -1.643 333 HB3 LYS 45 1HB LYS 45 -3.401 -6.170 -2.045 334 HG2 LYS 45 2HG LYS 45 -2.302 -5.573 -4.183 335 HG3 LYS 45 1HG LYS 45 -0.976 -6.665 -3.766 336 HD2 LYS 45 2HD LYS 45 -2.466 -8.561 -3.710 337 HD3 LYS 45 1HD LYS 45 -3.871 -7.519 -3.910 338 HE2 LYS 45 2HE LYS 45 -3.423 -8.563 -6.009 339 HE3 LYS 45 1HE LYS 45 -2.979 -6.868 -6.145 340 HZ1 LYS 45 3HZ LYS 45 -0.589 -7.702 -5.681 341 HZ2 LYS 45 1HZ LYS 45 -1.322 -8.038 -7.169 342 HZ3 LYS 45 2HZ LYS 45 -1.220 -9.226 -5.993 343 H GLY 46 H GLY 46 -0.333 -3.434 -2.837 344 HA2 GLY 46 2HA GLY 46 -2.618 -1.817 -3.599 345 HA3 GLY 46 1HA GLY 46 -1.374 -1.035 -2.633 346 H GLU 47 H GLU 47 -2.050 -0.208 -5.134 347 HA GLU 47 HA GLU 47 0.305 -0.979 -6.662 348 HB2 GLU 47 2HB GLU 47 -1.666 -1.792 -7.758 349 HB3 GLU 47 1HB GLU 47 -2.445 -0.226 -7.665 350 HG2 GLU 47 2HG GLU 47 0.108 -0.473 -9.181 351 HG3 GLU 47 1HG GLU 47 -1.359 -1.135 -9.892 352 H LEU 48 H LEU 48 1.635 0.459 -7.207 353 HA LEU 48 HA LEU 48 0.948 3.277 -7.243 354 HG LEU 48 HG LEU 48 3.951 4.208 -6.762 355 HB2 LEU 48 2HB LEU 48 1.890 2.866 -5.009 356 HB3 LEU 48 1HB LEU 48 3.264 2.064 -5.737 357 HD11 LEU 48 1HD1 LEU 48 2.945 6.294 -5.989 358 HD12 LEU 48 2HD1 LEU 48 1.693 5.378 -5.154 359 HD13 LEU 48 3HD1 LEU 48 1.811 5.309 -6.914 360 HD21 LEU 48 3HD2 LEU 48 3.594 4.281 -3.769 361 HD22 LEU 48 1HD2 LEU 48 4.733 5.258 -4.695 362 HD23 LEU 48 2HD2 LEU 48 4.914 3.507 -4.645 363 H ASN 49 H ASN 49 1.703 4.098 -9.054 364 HA ASN 49 HA ASN 49 2.899 4.535 -10.903 365 HB2 ASN 49 2HB ASN 49 5.063 2.766 -9.722 366 HB3 ASN 49 1HB ASN 49 5.259 3.857 -11.087 367 HD21 ASN 49 1HD2 ASN 49 6.662 3.780 -8.570 368 HD22 ASN 49 2HD2 ASN 49 6.407 5.313 -7.815 369 H GLY 50 H GLY 50 1.266 1.966 -10.468 370 HA2 GLY 50 2HA GLY 50 0.493 0.571 -12.175 371 HA3 GLY 50 1HA GLY 50 2.021 0.790 -13.023 372 H LYS 51 H LYS 51 2.794 0.291 -9.856 373 HA LYS 51 HA LYS 51 3.203 -2.548 -10.365 374 HB2 LYS 51 2HB LYS 51 4.733 -0.594 -8.658 375 HB3 LYS 51 1HB LYS 51 4.879 -2.324 -8.436 376 HG2 LYS 51 2HG LYS 51 6.713 -1.575 -9.711 377 HG3 LYS 51 1HG LYS 51 5.670 -2.506 -10.765 378 HD2 LYS 51 2HD LYS 51 4.766 -0.472 -11.742 379 HD3 LYS 51 1HD LYS 51 5.726 0.510 -10.632 380 HE2 LYS 51 2HE LYS 51 6.735 0.373 -12.867 381 HE3 LYS 51 1HE LYS 51 7.773 -0.308 -11.623 382 HZ1 LYS 51 3HZ LYS 51 6.067 -1.882 -13.496 383 HZ2 LYS 51 1HZ LYS 51 7.053 -2.526 -12.288 384 HZ3 LYS 51 2HZ LYS 51 7.735 -1.712 -13.575 385 H GLU 52 H GLU 52 2.330 -3.939 -9.089 386 HA GLU 52 HA GLU 52 0.882 -2.944 -6.753 387 HB2 GLU 52 2HB GLU 52 -0.559 -4.986 -6.986 388 HB3 GLU 52 1HB GLU 52 -0.866 -3.787 -8.208 389 HG2 GLU 52 2HG GLU 52 0.523 -5.129 -9.770 390 HG3 GLU 52 1HG GLU 52 0.763 -6.318 -8.494 391 H GLY 53 H GLY 53 1.575 -3.584 -4.928 392 HA2 GLY 53 2HA GLY 53 2.896 -6.163 -4.756 393 HA3 GLY 53 1HA GLY 53 3.812 -4.758 -4.267 394 H VAL 54 H VAL 54 3.755 -6.156 -2.346 395 HA VAL 54 HA VAL 54 1.379 -5.536 -0.734 396 HB VAL 54 HB VAL 54 1.914 -7.479 0.695 397 HG11 VAL 54 1HG1 VAL 54 1.637 -8.195 -2.220 398 HG12 VAL 54 2HG1 VAL 54 0.326 -7.760 -1.127 399 HG13 VAL 54 3HG1 VAL 54 1.241 -9.245 -0.859 400 HG21 VAL 54 3HG2 VAL 54 4.048 -8.076 -1.356 401 HG22 VAL 54 1HG2 VAL 54 3.548 -9.147 -0.049 402 HG23 VAL 54 2HG2 VAL 54 4.319 -7.606 0.323 403 H PHE 55 H PHE 55 1.683 -4.943 1.409 404 HA PHE 55 HA PHE 55 4.299 -4.340 2.405 405 HD1 PHE 55 2HD PHE 55 1.797 -2.488 -0.442 406 HD2 PHE 55 1HD PHE 55 2.099 -0.861 3.479 407 HE1 PHE 55 2HE PHE 55 -0.321 -1.294 -0.778 408 HE2 PHE 55 1HE PHE 55 -0.019 0.340 3.146 409 HZ PHE 55 HZ PHE 55 -1.234 0.125 1.012 410 HB2 PHE 55 2HB PHE 55 4.061 -1.904 2.373 411 HB3 PHE 55 1HB PHE 55 3.853 -2.593 0.756 412 HA PRO 56 HA PRO 56 1.828 -4.643 6.166 413 HB2 PRO 56 2HB PRO 56 3.733 -2.880 7.551 414 HB3 PRO 56 1HB PRO 56 3.396 -4.585 7.839 415 HG2 PRO 56 2HG PRO 56 5.722 -3.769 6.753 416 HG3 PRO 56 1HG PRO 56 4.952 -5.300 6.298 417 HD2 PRO 56 2HD PRO 56 4.943 -2.678 4.849 418 HD3 PRO 56 1HD PRO 56 5.161 -4.323 4.214 419 H ASP 57 H ASP 57 0.193 -3.502 7.042 420 HA ASP 57 HA ASP 57 -0.583 -1.091 5.808 421 HB2 ASP 57 2HB ASP 57 -2.628 -1.307 6.866 422 HB3 ASP 57 1HB ASP 57 -2.047 -2.961 6.894 423 H ASN 58 H ASN 58 1.391 -1.539 8.541 424 HA ASN 58 HA ASN 58 0.623 0.836 9.957 425 HB2 ASN 58 2HB ASN 58 2.481 0.437 11.449 426 HB3 ASN 58 1HB ASN 58 1.740 -1.111 11.086 427 HD21 ASN 58 1HD2 ASN 58 4.560 0.850 10.819 428 HD22 ASN 58 2HD2 ASN 58 5.611 -0.361 10.180 429 H PHE 59 H PHE 59 2.092 0.531 7.086 430 HA PHE 59 HA PHE 59 3.812 2.869 7.424 431 HD1 PHE 59 1HD PHE 59 4.307 -0.877 6.868 432 HD2 PHE 59 2HD PHE 59 6.607 2.594 6.071 433 HE1 PHE 59 1HE PHE 59 6.263 -1.939 7.908 434 HE2 PHE 59 2HE PHE 59 8.560 1.556 7.102 435 HZ PHE 59 HZ PHE 59 8.397 -0.718 8.031 436 HB2 PHE 59 2HB PHE 59 3.601 0.816 5.245 437 HB3 PHE 59 1HB PHE 59 4.511 2.309 5.060 438 H ALA 60 H ALA 60 0.624 2.304 6.653 439 HA ALA 60 HA ALA 60 0.555 4.733 5.060 440 HB1 ALA 60 1HB ALA 60 0.655 2.868 3.452 441 HB2 ALA 60 2HB ALA 60 -0.843 3.787 3.357 442 HB3 ALA 60 3HB ALA 60 -0.828 2.211 4.154 443 H VAL 61 H VAL 61 -1.472 5.728 4.980 444 HA VAL 61 HA VAL 61 -3.406 4.810 6.993 445 HB VAL 61 HB VAL 61 -2.242 6.930 7.660 446 HG11 VAL 61 1HG1 VAL 61 -1.780 7.897 5.504 447 HG12 VAL 61 2HG1 VAL 61 -2.700 9.032 6.495 448 HG13 VAL 61 3HG1 VAL 61 -3.504 8.130 5.208 449 HG21 VAL 61 3HG2 VAL 61 -4.249 8.245 8.181 450 HG22 VAL 61 1HG2 VAL 61 -4.476 6.524 8.494 451 HG23 VAL 61 2HG2 VAL 61 -5.170 7.255 7.048 452 H GLN 62 H GLN 62 -5.507 4.651 6.301 453 HA GLN 62 HA GLN 62 -5.930 4.802 3.467 454 HB2 GLN 62 2HB GLN 62 -6.894 3.007 4.877 455 HB3 GLN 62 1HB GLN 62 -7.886 4.220 5.678 456 HG2 GLN 62 2HG GLN 62 -8.958 4.736 3.536 457 HG3 GLN 62 1HG GLN 62 -8.000 3.477 2.763 458 HE21 GLN 62 1HE2 GLN 62 -9.331 3.224 5.963 459 HE22 GLN 62 2HE2 GLN 62 -10.484 2.009 5.569 460 H ILE 63 H ILE 63 -6.518 6.570 2.460 461 HA ILE 63 HA ILE 63 -7.427 8.834 4.030 462 HB ILE 63 HB ILE 63 -7.240 10.136 1.967 463 HG12 ILE 63 2HG1 ILE 63 -6.063 7.610 0.773 464 HG13 ILE 63 1HG1 ILE 63 -7.603 8.338 0.328 465 HG21 ILE 63 1HG2 ILE 63 -5.385 10.072 3.540 466 HG22 ILE 63 2HG2 ILE 63 -4.733 10.091 1.898 467 HG23 ILE 63 3HG2 ILE 63 -4.779 8.585 2.809 468 HD11 ILE 63 3HD1 ILE 63 -4.894 9.590 -0.036 469 HD12 ILE 63 1HD1 ILE 63 -6.431 10.303 -0.515 470 HD13 ILE 63 2HD1 ILE 63 -5.855 8.833 -1.307 471 H SER 64 H SER 64 -8.759 6.442 2.326 472 HA SER 64 HA SER 64 -11.092 7.747 1.340 473 HG SER 64 HG SER 64 -10.310 6.356 -0.527 474 HB2 SER 64 2HB SER 64 -10.545 4.818 1.813 475 HB3 SER 64 1HB SER 64 -11.814 5.503 0.788 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -10.658 -7.211 -6.268 2 H2 GLY 1 2HT GLY 1 -10.291 -8.798 -5.834 3 H3 GLY 1 3HT GLY 1 -9.260 -7.958 -6.891 4 HA2 GLY 1 1HA GLY 1 -8.293 -8.059 -4.738 5 HA3 GLY 1 2HA GLY 1 -8.778 -6.407 -5.077 6 H ALA 2 H ALA 2 -8.839 -6.032 -2.835 7 HA ALA 2 HA ALA 2 -11.293 -6.986 -1.591 8 HB1 ALA 2 1HB ALA 2 -8.640 -6.934 -0.141 9 HB2 ALA 2 2HB ALA 2 -9.477 -8.406 -0.651 10 HB3 ALA 2 3HB ALA 2 -10.195 -7.340 0.560 11 H MET 3 H MET 3 -12.117 -5.024 -2.065 12 HA MET 3 HA MET 3 -12.667 -2.898 -1.881 13 HB2 MET 3 2HB MET 3 -11.287 -3.096 0.808 14 HB3 MET 3 1HB MET 3 -12.271 -1.729 0.304 15 HG2 MET 3 2HG MET 3 -14.220 -3.175 0.121 16 HG3 MET 3 1HG MET 3 -13.236 -4.564 0.566 17 HE1 MET 3 3HE MET 3 -15.976 -3.787 1.984 18 HE2 MET 3 1HE MET 3 -15.572 -4.029 3.683 19 HE3 MET 3 2HE MET 3 -15.014 -5.183 2.475 20 H GLY 4 H GLY 4 -11.415 -2.370 -3.659 21 HA2 GLY 4 2HA GLY 4 -9.357 -0.452 -2.993 22 HA3 GLY 4 1HA GLY 4 -8.873 -1.823 -3.978 23 H ALA 5 H ALA 5 -11.490 0.522 -3.843 24 HA ALA 5 HA ALA 5 -11.058 0.997 -6.721 25 HB1 ALA 5 1HB ALA 5 -13.469 1.212 -7.070 26 HB2 ALA 5 2HB ALA 5 -13.752 0.822 -5.371 27 HB3 ALA 5 3HB ALA 5 -13.055 -0.387 -6.451 28 H LYS 6 H LYS 6 -12.369 2.212 -3.740 29 HA LYS 6 HA LYS 6 -11.757 4.951 -4.641 30 HB2 LYS 6 2HB LYS 6 -13.623 5.708 -3.098 31 HB3 LYS 6 1HB LYS 6 -14.175 4.797 -4.496 32 HG2 LYS 6 2HG LYS 6 -14.396 2.798 -3.149 33 HG3 LYS 6 1HG LYS 6 -13.758 3.654 -1.752 34 HD2 LYS 6 2HD LYS 6 -15.697 5.129 -1.764 35 HD3 LYS 6 1HD LYS 6 -16.317 4.313 -3.202 36 HE2 LYS 6 2HE LYS 6 -17.412 3.485 -1.164 37 HE3 LYS 6 1HE LYS 6 -16.491 2.219 -1.967 38 HZ1 LYS 6 3HZ LYS 6 -15.575 3.773 0.394 39 HZ2 LYS 6 1HZ LYS 6 -14.703 2.542 -0.355 40 HZ3 LYS 6 2HZ LYS 6 -16.146 2.200 0.445 41 H GLU 7 H GLU 7 -10.612 2.707 -3.152 42 HA GLU 7 HA GLU 7 -10.064 3.823 -0.526 43 HB2 GLU 7 2HB GLU 7 -9.478 1.144 -1.775 44 HB3 GLU 7 1HB GLU 7 -8.880 1.623 -0.201 45 HG2 GLU 7 2HG GLU 7 -10.834 0.165 -0.034 46 HG3 GLU 7 1HG GLU 7 -11.141 1.747 0.658 47 H TYR 8 H TYR 8 -8.416 5.070 -0.370 48 HA TYR 8 HA TYR 8 -5.975 4.500 -1.924 49 HD1 TYR 8 1HD TYR 8 -6.038 5.438 -4.533 50 HD2 TYR 8 2HD TYR 8 -9.073 7.611 -2.496 51 HE1 TYR 8 1HE TYR 8 -7.441 5.370 -6.550 52 HE2 TYR 8 2HE TYR 8 -10.480 7.549 -4.506 53 HH TYR 8 HH TYR 8 -10.223 7.286 -6.926 54 HB2 TYR 8 2HB TYR 8 -6.942 7.344 -1.459 55 HB3 TYR 8 1HB TYR 8 -5.586 6.816 -2.417 56 H CYS 9 H CYS 9 -4.078 4.989 -0.829 57 HA CYS 9 HA CYS 9 -4.459 5.768 1.980 58 HG CYS 9 HG CYS 9 -5.810 3.418 1.656 59 HB2 CYS 9 2HB CYS 9 -2.619 3.595 0.962 60 HB3 CYS 9 1HB CYS 9 -2.851 4.075 2.639 61 H ARG 10 H ARG 10 -2.878 7.051 2.846 62 HA ARG 10 HA ARG 10 -0.804 7.990 0.988 63 HE ARG 10 HE ARG 10 -1.539 11.397 4.815 64 HB2 ARG 10 2HB ARG 10 -2.319 9.752 1.978 65 HB3 ARG 10 1HB ARG 10 -1.726 9.299 3.573 66 HG2 ARG 10 2HG ARG 10 0.577 9.855 2.806 67 HG3 ARG 10 1HG ARG 10 -0.113 10.455 1.305 68 HD2 ARG 10 2HD ARG 10 0.300 12.316 2.767 69 HD3 ARG 10 1HD ARG 10 -1.439 12.088 2.628 70 HH11 ARG 10 1HH1 ARG 10 1.845 12.004 3.915 71 HH12 ARG 10 2HH1 ARG 10 2.414 12.080 5.512 72 HH21 ARG 10 1HH2 ARG 10 -0.731 11.598 7.035 73 HH22 ARG 10 2HH2 ARG 10 0.929 11.824 7.330 74 H THR 11 H THR 11 1.261 7.555 1.490 75 HA THR 11 HA THR 11 1.727 5.723 3.594 76 HB THR 11 HB THR 11 4.068 5.772 2.742 77 HG1 THR 11 1HG THR 11 4.594 7.114 1.171 78 HG21 THR 11 3HG2 THR 11 3.507 4.816 0.563 79 HG22 THR 11 1HG2 THR 11 1.895 5.519 0.662 80 HG23 THR 11 2HG2 THR 11 2.383 4.267 1.804 81 H LEU 12 H LEU 12 2.696 5.990 5.479 82 HA LEU 12 HA LEU 12 3.037 8.723 6.471 83 HG LEU 12 HG LEU 12 0.705 6.689 7.050 84 HB2 LEU 12 2HB LEU 12 2.949 6.073 7.905 85 HB3 LEU 12 1HB LEU 12 3.067 7.639 8.675 86 HD11 LEU 12 1HD1 LEU 12 1.081 6.914 10.036 87 HD12 LEU 12 2HD1 LEU 12 0.959 5.416 9.113 88 HD13 LEU 12 3HD1 LEU 12 -0.425 6.505 9.215 89 HD21 LEU 12 3HD2 LEU 12 -0.408 8.651 8.024 90 HD22 LEU 12 1HD2 LEU 12 0.971 9.114 7.026 91 HD23 LEU 12 2HD2 LEU 12 1.110 9.129 8.781 92 H PHE 13 H PHE 13 4.813 6.012 5.431 93 HA PHE 13 HA PHE 13 7.312 7.135 6.451 94 HD1 PHE 13 1HD PHE 13 4.696 4.631 8.338 95 HD2 PHE 13 2HD PHE 13 8.663 6.008 9.003 96 HE1 PHE 13 1HE PHE 13 4.183 4.927 10.717 97 HE2 PHE 13 2HE PHE 13 8.157 6.315 11.391 98 HZ PHE 13 HZ PHE 13 5.914 5.772 12.254 99 HB2 PHE 13 2HB PHE 13 6.394 4.283 6.729 100 HB3 PHE 13 1HB PHE 13 8.065 4.779 6.968 101 HA PRO 14 HA PRO 14 8.570 5.576 2.429 102 HB2 PRO 14 2HB PRO 14 11.267 5.779 2.720 103 HB3 PRO 14 1HB PRO 14 10.254 7.197 2.442 104 HG2 PRO 14 2HG PRO 14 11.512 6.233 4.959 105 HG3 PRO 14 1HG PRO 14 11.194 7.890 4.420 106 HD2 PRO 14 2HD PRO 14 9.657 6.455 6.256 107 HD3 PRO 14 1HD PRO 14 9.136 7.903 5.378 108 H TYR 15 H TYR 15 8.976 3.506 1.759 109 HA TYR 15 HA TYR 15 10.165 1.599 3.655 110 HD1 TYR 15 2HD TYR 15 8.756 -0.173 5.369 111 HD2 TYR 15 1HD TYR 15 7.607 -0.967 1.363 112 HE1 TYR 15 2HE TYR 15 8.703 -2.567 5.873 113 HE2 TYR 15 1HE TYR 15 7.543 -3.363 1.846 114 HH TYR 15 HH TYR 15 8.455 -4.963 3.464 115 HB2 TYR 15 2HB TYR 15 7.708 1.565 3.901 116 HB3 TYR 15 1HB TYR 15 7.550 1.257 2.185 117 H THR 16 H THR 16 11.374 0.027 2.619 118 HA THR 16 HA THR 16 11.576 0.426 -0.260 119 HB THR 16 HB THR 16 13.673 -0.708 1.597 120 HG1 THR 16 1HG THR 16 13.096 1.535 1.970 121 HG21 THR 16 3HG2 THR 16 15.191 -0.249 -0.290 122 HG22 THR 16 1HG2 THR 16 13.831 0.345 -1.241 123 HG23 THR 16 2HG2 THR 16 13.906 -1.354 -0.782 124 H GLY 17 H GLY 17 10.856 -1.129 -1.509 125 HA2 GLY 17 2HA GLY 17 10.248 -3.696 -0.451 126 HA3 GLY 17 1HA GLY 17 9.950 -3.117 -2.096 127 H THR 18 H THR 18 11.803 -5.020 -0.127 128 HA THR 18 HA THR 18 14.214 -5.031 -1.664 129 HB THR 18 HB THR 18 13.979 -7.186 0.181 130 HG1 THR 18 1HG THR 18 12.214 -5.978 1.133 131 HG21 THR 18 3HG2 THR 18 15.985 -5.908 -0.412 132 HG22 THR 18 1HG2 THR 18 15.716 -5.931 1.347 133 HG23 THR 18 2HG2 THR 18 15.254 -4.507 0.395 134 H ASN 19 H ASN 19 11.303 -6.741 -1.085 135 HA ASN 19 HA ASN 19 12.013 -8.958 -2.816 136 HB2 ASN 19 2HB ASN 19 9.485 -8.306 -1.312 137 HB3 ASN 19 1HB ASN 19 9.687 -9.727 -2.310 138 HD21 ASN 19 1HD2 ASN 19 9.044 -9.544 0.468 139 HD22 ASN 19 2HD2 ASN 19 10.275 -10.394 1.327 140 H GLU 20 H GLU 20 10.787 -9.424 -4.717 141 HA GLU 20 HA GLU 20 10.307 -7.225 -6.403 142 HB2 GLU 20 2HB GLU 20 9.357 -10.049 -6.648 143 HB3 GLU 20 1HB GLU 20 9.266 -8.860 -7.937 144 HG2 GLU 20 2HG GLU 20 11.702 -8.707 -7.947 145 HG3 GLU 20 1HG GLU 20 11.776 -9.910 -6.655 146 H ASP 21 H ASP 21 8.116 -9.185 -4.480 147 HA ASP 21 HA ASP 21 5.774 -7.796 -5.505 148 HB2 ASP 21 2HB ASP 21 4.460 -9.401 -4.242 149 HB3 ASP 21 1HB ASP 21 5.700 -10.261 -5.141 150 H GLU 22 H GLU 22 7.991 -6.813 -3.562 151 HA GLU 22 HA GLU 22 6.187 -5.739 -1.515 152 HB2 GLU 22 2HB GLU 22 8.082 -7.121 -0.716 153 HB3 GLU 22 1HB GLU 22 9.204 -6.036 -1.519 154 HG2 GLU 22 2HG GLU 22 8.435 -4.247 0.011 155 HG3 GLU 22 1HG GLU 22 7.394 -5.427 0.787 156 H LEU 23 H LEU 23 5.800 -3.613 -1.669 157 HA LEU 23 HA LEU 23 6.891 -2.218 -3.947 158 HG LEU 23 HG LEU 23 4.329 -2.544 -4.689 159 HB2 LEU 23 2HB LEU 23 4.534 -1.958 -2.274 160 HB3 LEU 23 1HB LEU 23 5.238 -0.413 -2.718 161 HD11 LEU 23 1HD1 LEU 23 2.511 -1.003 -5.143 162 HD12 LEU 23 2HD1 LEU 23 3.078 0.063 -3.859 163 HD13 LEU 23 3HD1 LEU 23 2.475 -1.543 -3.467 164 HD21 LEU 23 3HD2 LEU 23 4.612 -0.731 -6.321 165 HD22 LEU 23 1HD2 LEU 23 6.150 -1.164 -5.567 166 HD23 LEU 23 2HD2 LEU 23 5.295 0.290 -5.059 167 H THR 24 H THR 24 8.143 -0.488 -4.008 168 HA THR 24 HA THR 24 9.354 0.454 -1.520 169 HB THR 24 HB THR 24 10.066 0.994 -4.419 170 HG1 THR 24 1HG THR 24 11.825 -0.499 -3.894 171 HG21 THR 24 3HG2 THR 24 11.651 1.486 -1.872 172 HG22 THR 24 1HG2 THR 24 10.907 2.722 -2.885 173 HG23 THR 24 2HG2 THR 24 12.232 1.745 -3.512 174 H PHE 25 H PHE 25 8.489 2.257 -0.709 175 HA PHE 25 HA PHE 25 7.551 4.253 -2.558 176 HD1 PHE 25 2HD PHE 25 5.982 4.543 1.371 177 HD2 PHE 25 1HD PHE 25 5.170 1.194 -1.104 178 HE1 PHE 25 2HE PHE 25 5.342 3.240 3.353 179 HE2 PHE 25 1HE PHE 25 4.527 -0.117 0.867 180 HZ PHE 25 HZ PHE 25 4.610 0.903 3.101 181 HB2 PHE 25 2HB PHE 25 5.565 4.748 -1.076 182 HB3 PHE 25 1HB PHE 25 5.473 3.309 -2.070 183 H ARG 26 H ARG 26 7.242 6.317 -1.672 184 HA ARG 26 HA ARG 26 9.229 6.938 0.380 185 HE ARG 26 HE ARG 26 10.584 10.681 -1.379 186 HB2 ARG 26 2HB ARG 26 7.921 8.499 -1.826 187 HB3 ARG 26 1HB ARG 26 8.810 9.302 -0.551 188 HG2 ARG 26 2HG ARG 26 10.830 8.148 -1.201 189 HG3 ARG 26 1HG ARG 26 9.936 7.235 -2.422 190 HD2 ARG 26 2HD ARG 26 11.196 9.170 -3.301 191 HD3 ARG 26 1HD ARG 26 9.468 9.226 -3.667 192 HH11 ARG 26 1HH1 ARG 26 9.061 10.804 -4.577 193 HH12 ARG 26 2HH1 ARG 26 8.577 12.433 -4.423 194 HH21 ARG 26 1HH2 ARG 26 9.881 12.938 -1.216 195 HH22 ARG 26 2HH2 ARG 26 9.011 13.635 -2.516 196 H GLU 27 H GLU 27 8.427 9.121 1.510 197 HA GLU 27 HA GLU 27 5.899 8.458 2.778 198 HB2 GLU 27 2HB GLU 27 7.822 9.259 4.136 199 HB3 GLU 27 1HB GLU 27 7.789 10.778 3.254 200 HG2 GLU 27 2HG GLU 27 5.447 11.104 4.070 201 HG3 GLU 27 1HG GLU 27 5.681 9.695 5.099 202 H GLY 28 H GLY 28 3.997 9.505 2.331 203 HA2 GLY 28 2HA GLY 28 2.705 11.378 1.694 204 HA3 GLY 28 1HA GLY 28 4.124 12.058 0.907 205 H GLU 29 H GLU 29 3.528 8.768 0.307 206 HA GLU 29 HA GLU 29 2.819 9.393 -2.441 207 HB2 GLU 29 2HB GLU 29 3.645 6.833 -1.069 208 HB3 GLU 29 1HB GLU 29 3.129 6.908 -2.742 209 HG2 GLU 29 2HG GLU 29 5.514 8.316 -1.578 210 HG3 GLU 29 1HG GLU 29 5.550 6.834 -2.532 211 H ILE 30 H ILE 30 0.943 8.759 -3.325 212 HA ILE 30 HA ILE 30 -1.108 7.764 -1.513 213 HB ILE 30 HB ILE 30 -1.386 8.945 -4.301 214 HG12 ILE 30 2HG1 ILE 30 -0.649 10.659 -2.708 215 HG13 ILE 30 1HG1 ILE 30 -2.312 10.952 -3.194 216 HG21 ILE 30 1HG2 ILE 30 -3.803 9.028 -3.812 217 HG22 ILE 30 2HG2 ILE 30 -3.513 8.240 -2.266 218 HG23 ILE 30 3HG2 ILE 30 -3.185 7.378 -3.765 219 HD11 ILE 30 3HD1 ILE 30 -3.071 9.975 -1.070 220 HD12 ILE 30 1HD1 ILE 30 -2.019 11.371 -0.833 221 HD13 ILE 30 2HD1 ILE 30 -1.388 9.742 -0.596 222 H ILE 31 H ILE 31 -1.631 5.740 -1.689 223 HA ILE 31 HA ILE 31 -0.759 4.271 -4.071 224 HB ILE 31 HB ILE 31 -0.979 3.284 -1.201 225 HG12 ILE 31 2HG1 ILE 31 1.422 3.636 -3.011 226 HG13 ILE 31 1HG1 ILE 31 1.036 4.603 -1.592 227 HG21 ILE 31 1HG2 ILE 31 -0.124 1.126 -2.007 228 HG22 ILE 31 2HG2 ILE 31 -0.216 1.718 -3.668 229 HG23 ILE 31 3HG2 ILE 31 -1.689 1.520 -2.723 230 HD11 ILE 31 3HD1 ILE 31 1.359 2.628 -0.176 231 HD12 ILE 31 1HD1 ILE 31 2.801 3.003 -1.120 232 HD13 ILE 31 2HD1 ILE 31 1.748 1.675 -1.607 233 H HIS 32 H HIS 32 -2.199 2.914 -5.001 234 HA HIS 32 HA HIS 32 -4.987 3.281 -4.268 235 HD1 HIS 32 1HD HIS 32 -6.530 3.646 -7.701 236 HD2 HIS 32 2HD HIS 32 -2.627 4.728 -6.789 237 HE1 HIS 32 1HE HIS 32 -6.116 5.830 -8.885 238 HB2 HIS 32 2HB HIS 32 -3.633 1.906 -6.605 239 HB3 HIS 32 1HB HIS 32 -5.370 1.902 -6.364 240 H LEU 33 H LEU 33 -5.794 1.925 -2.846 241 HA LEU 33 HA LEU 33 -4.448 -0.409 -1.959 242 HG LEU 33 HG LEU 33 -5.345 -0.708 0.509 243 HB2 LEU 33 2HB LEU 33 -6.220 1.171 -0.808 244 HB3 LEU 33 1HB LEU 33 -7.388 0.122 -1.569 245 HD11 LEU 33 1HD1 LEU 33 -7.260 -0.954 1.983 246 HD12 LEU 33 2HD1 LEU 33 -8.322 -0.350 0.715 247 HD13 LEU 33 3HD1 LEU 33 -7.088 0.706 1.411 248 HD21 LEU 33 3HD2 LEU 33 -6.539 -2.826 0.610 249 HD22 LEU 33 1HD2 LEU 33 -5.894 -2.565 -1.006 250 HD23 LEU 33 2HD2 LEU 33 -7.610 -2.309 -0.693 251 H ILE 34 H ILE 34 -4.662 -2.469 -2.696 252 HA ILE 34 HA ILE 34 -6.593 -2.934 -4.866 253 HB ILE 34 HB ILE 34 -3.934 -4.319 -4.357 254 HG12 ILE 34 2HG1 ILE 34 -3.645 -2.070 -5.298 255 HG13 ILE 34 1HG1 ILE 34 -3.191 -3.302 -6.467 256 HG21 ILE 34 1HG2 ILE 34 -5.529 -5.901 -5.273 257 HG22 ILE 34 2HG2 ILE 34 -4.307 -5.505 -6.481 258 HG23 ILE 34 3HG2 ILE 34 -5.915 -4.789 -6.587 259 HD11 ILE 34 3HD1 ILE 34 -5.751 -1.712 -6.430 260 HD12 ILE 34 1HD1 ILE 34 -5.351 -2.976 -7.594 261 HD13 ILE 34 2HD1 ILE 34 -4.393 -1.499 -7.528 262 H SER 35 H SER 35 -4.951 -4.485 -2.101 263 HA SER 35 HA SER 35 -7.407 -5.924 -1.552 264 HG SER 35 HG SER 35 -6.585 -6.566 -3.726 265 HB2 SER 35 2HB SER 35 -4.814 -7.407 -2.043 266 HB3 SER 35 1HB SER 35 -6.345 -8.118 -1.524 267 H LYS 36 H LYS 36 -7.727 -5.514 0.561 268 HA LYS 36 HA LYS 36 -5.639 -5.070 2.450 269 HB2 LYS 36 2HB LYS 36 -8.501 -5.891 2.885 270 HB3 LYS 36 1HB LYS 36 -7.406 -5.331 4.139 271 HG2 LYS 36 2HG LYS 36 -7.275 -3.200 3.061 272 HG3 LYS 36 1HG LYS 36 -8.359 -3.678 1.802 273 HD2 LYS 36 2HD LYS 36 -8.997 -3.471 4.754 274 HD3 LYS 36 1HD LYS 36 -9.587 -2.413 3.478 275 HE2 LYS 36 2HE LYS 36 -11.426 -3.798 3.884 276 HE3 LYS 36 1HE LYS 36 -10.661 -4.562 2.503 277 HZ1 LYS 36 3HZ LYS 36 -9.668 -6.252 4.125 278 HZ2 LYS 36 1HZ LYS 36 -11.345 -6.185 4.137 279 HZ3 LYS 36 2HZ LYS 36 -10.477 -5.449 5.344 280 H GLU 37 H GLU 37 -7.263 -7.840 1.206 281 HA GLU 37 HA GLU 37 -6.198 -9.534 3.334 282 HB2 GLU 37 2HB GLU 37 -7.959 -10.460 1.098 283 HB3 GLU 37 1HB GLU 37 -7.708 -11.195 2.669 284 HG2 GLU 37 2HG GLU 37 -9.190 -8.718 2.024 285 HG3 GLU 37 1HG GLU 37 -9.865 -10.290 2.500 286 H THR 38 H THR 38 -4.272 -10.108 2.848 287 HA THR 38 HA THR 38 -3.628 -10.952 0.094 288 HB THR 38 HB THR 38 -1.265 -10.807 0.853 289 HG1 THR 38 1HG THR 38 -1.050 -10.903 2.943 290 HG21 THR 38 3HG2 THR 38 -2.893 -8.307 1.367 291 HG22 THR 38 1HG2 THR 38 -2.321 -8.856 -0.209 292 HG23 THR 38 2HG2 THR 38 -1.164 -8.351 1.024 293 H GLY 39 H GLY 39 -4.781 -12.099 2.846 294 HA2 GLY 39 2HA GLY 39 -4.894 -14.467 3.362 295 HA3 GLY 39 1HA GLY 39 -3.235 -14.611 2.780 296 H GLU 40 H GLU 40 -2.969 -11.843 4.171 297 HA GLU 40 HA GLU 40 -2.583 -12.813 6.915 298 HB2 GLU 40 2HB GLU 40 -0.852 -10.828 5.416 299 HB3 GLU 40 1HB GLU 40 -0.627 -11.345 7.072 300 HG2 GLU 40 2HG GLU 40 1.044 -12.429 5.810 301 HG3 GLU 40 1HG GLU 40 -0.165 -13.657 6.150 302 H ALA 41 H ALA 41 -3.218 -11.326 8.503 303 HA ALA 41 HA ALA 41 -4.679 -9.032 7.482 304 HB1 ALA 41 1HB ALA 41 -5.814 -10.502 9.114 305 HB2 ALA 41 2HB ALA 41 -5.648 -8.853 9.710 306 HB3 ALA 41 3HB ALA 41 -4.567 -10.114 10.300 307 H GLY 42 H GLY 42 -2.995 -7.720 6.910 308 HA2 GLY 42 2HA GLY 42 -2.073 -5.795 8.554 309 HA3 GLY 42 1HA GLY 42 -0.897 -7.088 8.797 310 H TRP 43 H TRP 43 -1.187 -8.050 6.072 311 HA TRP 43 HA TRP 43 0.475 -6.066 4.806 312 HD1 TRP 43 HD TRP 43 0.998 -9.850 6.249 313 HE1 TRP 43 1HE TRP 43 3.494 -10.066 6.810 314 HE3 TRP 43 3HE TRP 43 2.903 -6.668 2.740 315 HZ2 TRP 43 2HZ TRP 43 5.959 -9.008 5.893 316 HZ3 TRP 43 3HZ TRP 43 5.333 -6.328 2.646 317 HH2 TRP 43 HH TRP 43 6.828 -7.470 4.184 318 HB2 TRP 43 2HB TRP 43 -0.249 -8.901 4.064 319 HB3 TRP 43 1HB TRP 43 0.669 -7.839 3.009 320 H TRP 44 H TRP 44 -0.317 -4.684 3.481 321 HA TRP 44 HA TRP 44 -2.906 -5.223 2.264 322 HD1 TRP 44 HD TRP 44 -3.724 -5.155 4.433 323 HE1 TRP 44 1HE TRP 44 -5.722 -4.235 5.751 324 HE3 TRP 44 3HE TRP 44 -3.594 -0.321 2.800 325 HZ2 TRP 44 2HZ TRP 44 -7.076 -1.781 6.044 326 HZ3 TRP 44 3HZ TRP 44 -5.270 1.245 3.645 327 HH2 TRP 44 HH TRP 44 -6.999 0.510 5.235 328 HB2 TRP 44 2HB TRP 44 -1.584 -2.712 3.200 329 HB3 TRP 44 1HB TRP 44 -2.687 -2.634 1.835 330 H LYS 45 H LYS 45 -3.019 -5.299 0.169 331 HA LYS 45 HA LYS 45 -0.525 -4.926 -1.292 332 HB2 LYS 45 2HB LYS 45 -1.818 -7.114 -1.508 333 HB3 LYS 45 1HB LYS 45 -3.104 -6.187 -2.253 334 HG2 LYS 45 2HG LYS 45 -1.710 -5.577 -4.088 335 HG3 LYS 45 1HG LYS 45 -0.303 -6.300 -3.319 336 HD2 LYS 45 2HD LYS 45 -1.450 -8.507 -3.444 337 HD3 LYS 45 1HD LYS 45 -2.741 -7.734 -4.369 338 HE2 LYS 45 2HE LYS 45 -1.119 -7.018 -6.044 339 HE3 LYS 45 1HE LYS 45 0.172 -7.780 -5.126 340 HZ1 LYS 45 3HZ LYS 45 -0.841 -9.917 -5.532 341 HZ2 LYS 45 1HZ LYS 45 -0.564 -9.104 -6.979 342 HZ3 LYS 45 2HZ LYS 45 -2.119 -9.179 -6.374 343 H GLY 46 H GLY 46 -0.317 -3.305 -2.633 344 HA2 GLY 46 2HA GLY 46 -2.669 -1.805 -3.465 345 HA3 GLY 46 1HA GLY 46 -1.414 -0.957 -2.575 346 H GLU 47 H GLU 47 -2.060 -0.166 -5.070 347 HA GLU 47 HA GLU 47 0.128 -1.186 -6.740 348 HB2 GLU 47 2HB GLU 47 -2.144 -1.429 -7.695 349 HB3 GLU 47 1HB GLU 47 -2.359 0.304 -7.555 350 HG2 GLU 47 2HG GLU 47 -0.472 0.644 -9.100 351 HG3 GLU 47 1HG GLU 47 -0.348 -1.102 -9.290 352 H LEU 48 H LEU 48 1.714 0.111 -7.213 353 HA LEU 48 HA LEU 48 1.331 2.978 -7.295 354 HG LEU 48 HG LEU 48 4.309 3.757 -6.621 355 HB2 LEU 48 2HB LEU 48 2.065 2.564 -4.988 356 HB3 LEU 48 1HB LEU 48 3.451 1.672 -5.578 357 HD11 LEU 48 1HD1 LEU 48 2.006 5.062 -5.188 358 HD12 LEU 48 2HD1 LEU 48 2.230 4.945 -6.935 359 HD13 LEU 48 3HD1 LEU 48 3.350 5.901 -5.965 360 HD21 LEU 48 3HD2 LEU 48 3.757 3.927 -3.664 361 HD22 LEU 48 1HD2 LEU 48 5.001 4.825 -4.534 362 HD23 LEU 48 2HD2 LEU 48 5.094 3.067 -4.429 363 H ASN 49 H ASN 49 2.070 3.532 -9.205 364 HA ASN 49 HA ASN 49 3.346 3.830 -11.010 365 HB2 ASN 49 2HB ASN 49 5.537 2.801 -9.192 366 HB3 ASN 49 1HB ASN 49 5.844 3.395 -10.820 367 HD21 ASN 49 1HD2 ASN 49 6.816 4.441 -8.294 368 HD22 ASN 49 2HD2 ASN 49 6.248 6.061 -8.176 369 H GLY 50 H GLY 50 1.866 1.473 -10.799 370 HA2 GLY 50 2HA GLY 50 1.514 -0.047 -12.546 371 HA3 GLY 50 1HA GLY 50 3.230 -0.002 -12.908 372 H LYS 51 H LYS 51 3.372 -0.390 -9.715 373 HA LYS 51 HA LYS 51 3.297 -3.294 -10.014 374 HB2 LYS 51 2HB LYS 51 4.914 -1.506 -8.251 375 HB3 LYS 51 1HB LYS 51 4.664 -3.188 -7.832 376 HG2 LYS 51 2HG LYS 51 6.748 -3.019 -8.851 377 HG3 LYS 51 1HG LYS 51 5.687 -3.782 -10.011 378 HD2 LYS 51 2HD LYS 51 5.447 -1.741 -11.258 379 HD3 LYS 51 1HD LYS 51 6.368 -0.848 -10.043 380 HE2 LYS 51 2HE LYS 51 7.705 -1.426 -12.030 381 HE3 LYS 51 1HE LYS 51 8.343 -2.115 -10.542 382 HZ1 LYS 51 3HZ LYS 51 7.348 -4.234 -11.142 383 HZ2 LYS 51 1HZ LYS 51 8.382 -3.694 -12.336 384 HZ3 LYS 51 2HZ LYS 51 6.715 -3.580 -12.556 385 H GLU 52 H GLU 52 1.900 -4.370 -8.943 386 HA GLU 52 HA GLU 52 0.992 -3.137 -6.543 387 HB2 GLU 52 2HB GLU 52 -1.159 -4.597 -6.683 388 HB3 GLU 52 1HB GLU 52 -1.040 -3.116 -7.596 389 HG2 GLU 52 2HG GLU 52 -2.101 -4.643 -8.938 390 HG3 GLU 52 1HG GLU 52 -0.478 -4.527 -9.600 391 H GLY 53 H GLY 53 1.660 -3.731 -4.936 392 HA2 GLY 53 2HA GLY 53 2.444 -6.535 -4.543 393 HA3 GLY 53 1HA GLY 53 3.623 -5.255 -4.276 394 H VAL 54 H VAL 54 3.568 -6.333 -2.125 395 HA VAL 54 HA VAL 54 1.290 -5.335 -0.575 396 HB VAL 54 HB VAL 54 1.694 -7.168 1.033 397 HG11 VAL 54 1HG1 VAL 54 0.806 -8.978 -0.345 398 HG12 VAL 54 2HG1 VAL 54 1.248 -8.075 -1.797 399 HG13 VAL 54 3HG1 VAL 54 0.031 -7.433 -0.696 400 HG21 VAL 54 3HG2 VAL 54 3.132 -9.063 0.389 401 HG22 VAL 54 1HG2 VAL 54 4.058 -7.576 0.600 402 HG23 VAL 54 2HG2 VAL 54 3.677 -8.155 -1.021 403 H PHE 55 H PHE 55 1.617 -4.558 1.424 404 HA PHE 55 HA PHE 55 4.274 -4.122 2.425 405 HD1 PHE 55 1HD PHE 55 1.962 -0.753 3.580 406 HD2 PHE 55 2HD PHE 55 1.920 -2.091 -0.464 407 HE1 PHE 55 1HE PHE 55 -0.163 0.437 3.207 408 HE2 PHE 55 2HE PHE 55 -0.202 -0.907 -0.833 409 HZ PHE 55 HZ PHE 55 -1.244 0.359 1.004 410 HB2 PHE 55 2HB PHE 55 4.009 -1.654 2.480 411 HB3 PHE 55 1HB PHE 55 3.888 -2.297 0.838 412 HA PRO 56 HA PRO 56 1.774 -4.505 6.134 413 HB2 PRO 56 2HB PRO 56 3.721 -2.776 7.540 414 HB3 PRO 56 1HB PRO 56 3.293 -4.452 7.865 415 HG2 PRO 56 2HG PRO 56 5.669 -3.815 6.800 416 HG3 PRO 56 1HG PRO 56 4.804 -5.289 6.329 417 HD2 PRO 56 2HD PRO 56 4.995 -2.667 4.885 418 HD3 PRO 56 1HD PRO 56 5.111 -4.323 4.245 419 H ASP 57 H ASP 57 0.051 -3.366 6.727 420 HA ASP 57 HA ASP 57 -0.584 -0.939 5.494 421 HB2 ASP 57 2HB ASP 57 -2.684 -1.051 6.479 422 HB3 ASP 57 1HB ASP 57 -2.177 -2.730 6.448 423 H ASN 58 H ASN 58 1.037 -1.422 8.474 424 HA ASN 58 HA ASN 58 0.262 1.005 9.749 425 HB2 ASN 58 2HB ASN 58 2.062 0.578 11.343 426 HB3 ASN 58 1HB ASN 58 1.129 -0.879 11.036 427 HD21 ASN 58 1HD2 ASN 58 4.206 0.637 10.830 428 HD22 ASN 58 2HD2 ASN 58 5.085 -0.719 10.262 429 H PHE 59 H PHE 59 2.215 0.534 7.094 430 HA PHE 59 HA PHE 59 3.876 2.863 7.616 431 HD1 PHE 59 2HD PHE 59 4.245 -0.878 6.947 432 HD2 PHE 59 1HD PHE 59 6.846 2.437 6.482 433 HE1 PHE 59 2HE PHE 59 6.035 -2.117 8.110 434 HE2 PHE 59 1HE PHE 59 8.630 1.222 7.636 435 HZ PHE 59 HZ PHE 59 8.229 -1.063 8.452 436 HB2 PHE 59 2HB PHE 59 3.792 0.919 5.309 437 HB3 PHE 59 1HB PHE 59 4.792 2.365 5.304 438 H ALA 60 H ALA 60 0.760 2.452 6.685 439 HA ALA 60 HA ALA 60 0.752 4.952 5.217 440 HB1 ALA 60 1HB ALA 60 0.855 3.200 3.479 441 HB2 ALA 60 2HB ALA 60 -0.671 4.080 3.453 442 HB3 ALA 60 3HB ALA 60 -0.605 2.469 4.158 443 H VAL 61 H VAL 61 -1.473 5.776 5.000 444 HA VAL 61 HA VAL 61 -3.316 4.612 6.932 445 HB VAL 61 HB VAL 61 -2.240 6.585 7.981 446 HG11 VAL 61 1HG1 VAL 61 -1.689 7.883 6.023 447 HG12 VAL 61 2HG1 VAL 61 -2.638 8.849 7.154 448 HG13 VAL 61 3HG1 VAL 61 -3.399 8.182 5.709 449 HG21 VAL 61 3HG2 VAL 61 -4.279 7.799 8.629 450 HG22 VAL 61 1HG2 VAL 61 -4.519 6.052 8.622 451 HG23 VAL 61 2HG2 VAL 61 -5.145 7.031 7.297 452 H GLN 62 H GLN 62 -5.365 4.470 6.244 453 HA GLN 62 HA GLN 62 -5.932 4.860 3.485 454 HB2 GLN 62 2HB GLN 62 -6.892 3.036 4.908 455 HB3 GLN 62 1HB GLN 62 -7.815 4.247 5.779 456 HG2 GLN 62 2HG GLN 62 -8.935 4.850 3.650 457 HG3 GLN 62 1HG GLN 62 -8.076 3.522 2.874 458 HE21 GLN 62 1HE2 GLN 62 -10.915 3.937 3.188 459 HE22 GLN 62 2HE2 GLN 62 -11.510 2.550 4.039 460 H ILE 63 H ILE 63 -6.495 6.760 2.628 461 HA ILE 63 HA ILE 63 -7.438 8.860 4.437 462 HB ILE 63 HB ILE 63 -7.001 10.438 2.605 463 HG12 ILE 63 2HG1 ILE 63 -5.863 8.045 1.119 464 HG13 ILE 63 1HG1 ILE 63 -7.339 8.904 0.694 465 HG21 ILE 63 1HG2 ILE 63 -4.526 10.273 2.677 466 HG22 ILE 63 2HG2 ILE 63 -4.686 8.644 3.339 467 HG23 ILE 63 3HG2 ILE 63 -5.280 10.030 4.255 468 HD11 ILE 63 3HD1 ILE 63 -5.481 9.543 -0.743 469 HD12 ILE 63 1HD1 ILE 63 -4.556 10.050 0.668 470 HD13 ILE 63 2HD1 ILE 63 -6.029 10.913 0.225 471 H SER 64 H SER 64 -8.469 6.831 1.884 472 HA SER 64 HA SER 64 -11.133 7.799 2.139 473 HG SER 64 HG SER 64 -9.867 9.481 1.127 474 HB2 SER 64 2HB SER 64 -9.652 7.411 -0.475 475 HB3 SER 64 1HB SER 64 -11.364 7.814 -0.290 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -11.795 -9.606 3.188 2 H2 GLY 1 2HT GLY 1 -12.637 -8.143 3.239 3 H3 GLY 1 3HT GLY 1 -11.077 -8.201 3.818 4 HA2 GLY 1 1HA GLY 1 -10.294 -8.706 1.550 5 HA3 GLY 1 2HA GLY 1 -11.955 -8.472 1.020 6 H ALA 2 H ALA 2 -11.628 -6.689 -0.200 7 HA ALA 2 HA ALA 2 -11.121 -4.204 1.223 8 HB1 ALA 2 1HB ALA 2 -9.972 -5.011 -1.472 9 HB2 ALA 2 2HB ALA 2 -9.051 -4.680 0.001 10 HB3 ALA 2 3HB ALA 2 -9.919 -3.379 -0.805 11 H MET 3 H MET 3 -12.332 -2.481 0.190 12 HA MET 3 HA MET 3 -14.675 -3.713 -1.054 13 HB2 MET 3 2HB MET 3 -15.172 -2.673 1.086 14 HB3 MET 3 1HB MET 3 -14.526 -1.143 0.515 15 HG2 MET 3 2HG MET 3 -16.321 -0.915 -1.081 16 HG3 MET 3 1HG MET 3 -16.917 -2.523 -0.695 17 HE1 MET 3 3HE MET 3 -17.016 0.972 2.336 18 HE2 MET 3 1HE MET 3 -16.271 1.090 0.743 19 HE3 MET 3 2HE MET 3 -15.563 0.047 1.983 20 H GLY 4 H GLY 4 -14.177 -3.709 -3.120 21 HA2 GLY 4 2HA GLY 4 -14.631 -2.833 -5.204 22 HA3 GLY 4 1HA GLY 4 -14.787 -1.260 -4.447 23 H ALA 5 H ALA 5 -11.912 -2.259 -3.354 24 HA ALA 5 HA ALA 5 -9.748 -1.665 -3.759 25 HB1 ALA 5 1HB ALA 5 -9.929 -3.372 -5.545 26 HB2 ALA 5 2HB ALA 5 -8.841 -2.064 -6.016 27 HB3 ALA 5 3HB ALA 5 -10.478 -2.126 -6.669 28 H LYS 6 H LYS 6 -11.875 0.306 -3.771 29 HA LYS 6 HA LYS 6 -10.718 2.493 -5.384 30 HB2 LYS 6 2HB LYS 6 -13.471 2.212 -4.148 31 HB3 LYS 6 1HB LYS 6 -12.915 3.603 -5.067 32 HG2 LYS 6 2HG LYS 6 -12.701 2.292 -7.042 33 HG3 LYS 6 1HG LYS 6 -13.069 0.814 -6.154 34 HD2 LYS 6 2HD LYS 6 -15.307 1.709 -5.669 35 HD3 LYS 6 1HD LYS 6 -14.924 3.138 -6.630 36 HE2 LYS 6 2HE LYS 6 -16.204 1.523 -7.931 37 HE3 LYS 6 1HE LYS 6 -14.594 1.751 -8.609 38 HZ1 LYS 6 3HZ LYS 6 -15.166 -0.583 -8.589 39 HZ2 LYS 6 1HZ LYS 6 -15.521 -0.534 -6.954 40 HZ3 LYS 6 2HZ LYS 6 -13.926 -0.358 -7.480 41 H GLU 7 H GLU 7 -9.811 1.376 -2.919 42 HA GLU 7 HA GLU 7 -10.301 3.505 -0.994 43 HB2 GLU 7 2HB GLU 7 -8.982 0.789 -0.599 44 HB3 GLU 7 1HB GLU 7 -9.502 1.903 0.666 45 HG2 GLU 7 2HG GLU 7 -11.845 1.602 -0.048 46 HG3 GLU 7 1HG GLU 7 -11.317 0.461 -1.269 47 H TYR 8 H TYR 8 -8.513 4.749 -0.374 48 HA TYR 8 HA TYR 8 -6.012 4.142 -1.807 49 HD1 TYR 8 2HD TYR 8 -5.720 5.111 -4.480 50 HD2 TYR 8 1HD TYR 8 -9.307 6.635 -2.791 51 HE1 TYR 8 2HE TYR 8 -6.909 4.658 -6.589 52 HE2 TYR 8 1HE TYR 8 -10.500 6.184 -4.892 53 HH TYR 8 HH TYR 8 -9.060 4.311 -7.386 54 HB2 TYR 8 2HB TYR 8 -7.170 6.946 -1.644 55 HB3 TYR 8 1HB TYR 8 -5.689 6.453 -2.428 56 H CYS 9 H CYS 9 -4.189 4.604 -0.717 57 HA CYS 9 HA CYS 9 -4.592 5.728 1.943 58 HG CYS 9 HG CYS 9 -2.425 1.633 1.423 59 HB2 CYS 9 2HB CYS 9 -2.855 4.104 2.732 60 HB3 CYS 9 1HB CYS 9 -4.378 3.380 2.245 61 H ARG 10 H ARG 10 -2.954 6.934 2.795 62 HA ARG 10 HA ARG 10 -0.878 7.761 0.889 63 HE ARG 10 HE ARG 10 -2.070 11.697 4.179 64 HB2 ARG 10 2HB ARG 10 -2.378 9.604 1.677 65 HB3 ARG 10 1HB ARG 10 -1.893 9.240 3.330 66 HG2 ARG 10 2HG ARG 10 0.435 9.778 2.756 67 HG3 ARG 10 1HG ARG 10 -0.080 10.200 1.126 68 HD2 ARG 10 2HD ARG 10 0.198 12.186 2.511 69 HD3 ARG 10 1HD ARG 10 -1.484 11.980 2.030 70 HH11 ARG 10 1HH1 ARG 10 1.487 11.338 4.054 71 HH12 ARG 10 2HH1 ARG 10 1.699 11.563 5.708 72 HH21 ARG 10 1HH2 ARG 10 -1.709 11.990 6.519 73 HH22 ARG 10 2HH2 ARG 10 -0.116 11.946 7.120 74 H THR 11 H THR 11 1.187 7.495 1.486 75 HA THR 11 HA THR 11 1.627 5.745 3.668 76 HB THR 11 HB THR 11 3.969 5.759 2.807 77 HG1 THR 11 1HG THR 11 4.417 6.963 1.054 78 HG21 THR 11 3HG2 THR 11 1.761 5.374 0.790 79 HG22 THR 11 1HG2 THR 11 2.272 4.194 1.995 80 HG23 THR 11 2HG2 THR 11 3.374 4.669 0.702 81 H LEU 12 H LEU 12 2.605 6.100 5.508 82 HA LEU 12 HA LEU 12 3.063 8.875 6.354 83 HG LEU 12 HG LEU 12 0.594 7.027 6.993 84 HB2 LEU 12 2HB LEU 12 2.775 6.332 7.952 85 HB3 LEU 12 1HB LEU 12 2.967 7.934 8.625 86 HD11 LEU 12 1HD1 LEU 12 0.699 5.881 9.137 87 HD12 LEU 12 2HD1 LEU 12 -0.606 7.067 9.133 88 HD13 LEU 12 3HD1 LEU 12 0.904 7.421 9.967 89 HD21 LEU 12 3HD2 LEU 12 1.116 9.551 8.562 90 HD22 LEU 12 1HD2 LEU 12 -0.418 9.114 7.807 91 HD23 LEU 12 2HD2 LEU 12 0.998 9.418 6.807 92 H PHE 13 H PHE 13 4.658 5.972 5.537 93 HA PHE 13 HA PHE 13 7.232 7.051 6.343 94 HD1 PHE 13 2HD PHE 13 8.468 6.486 8.959 95 HD2 PHE 13 1HD PHE 13 4.604 4.742 8.677 96 HE1 PHE 13 2HE PHE 13 7.976 7.212 11.253 97 HE2 PHE 13 1HE PHE 13 4.100 5.463 10.966 98 HZ PHE 13 HZ PHE 13 5.784 6.701 12.262 99 HB2 PHE 13 2HB PHE 13 6.262 4.261 7.044 100 HB3 PHE 13 1HB PHE 13 7.918 4.814 7.221 101 HA PRO 14 HA PRO 14 8.032 4.991 2.433 102 HB2 PRO 14 2HB PRO 14 10.711 4.949 2.397 103 HB3 PRO 14 1HB PRO 14 9.820 6.473 2.281 104 HG2 PRO 14 2HG PRO 14 11.205 5.269 4.633 105 HG3 PRO 14 1HG PRO 14 11.145 6.963 4.108 106 HD2 PRO 14 2HD PRO 14 9.566 5.873 6.106 107 HD3 PRO 14 1HD PRO 14 9.175 7.340 5.195 108 H TYR 15 H TYR 15 8.605 2.943 1.630 109 HA TYR 15 HA TYR 15 9.722 0.995 3.503 110 HD1 TYR 15 1HD TYR 15 8.345 -0.832 5.125 111 HD2 TYR 15 2HD TYR 15 7.566 -1.744 1.038 112 HE1 TYR 15 1HE TYR 15 8.581 -3.221 5.617 113 HE2 TYR 15 2HE TYR 15 7.806 -4.132 1.522 114 HH TYR 15 HH TYR 15 8.824 -5.571 3.142 115 HB2 TYR 15 2HB TYR 15 7.222 0.803 3.596 116 HB3 TYR 15 1HB TYR 15 7.213 0.495 1.869 117 H THR 16 H THR 16 11.255 -0.109 2.519 118 HA THR 16 HA THR 16 11.336 -0.000 -0.417 119 HB THR 16 HB THR 16 13.684 -0.342 1.466 120 HG1 THR 16 1HG THR 16 12.510 1.728 1.527 121 HG21 THR 16 3HG2 THR 16 13.531 0.348 -1.482 122 HG22 THR 16 1HG2 THR 16 14.014 -1.213 -0.819 123 HG23 THR 16 2HG2 THR 16 15.012 0.212 -0.537 124 H GLY 17 H GLY 17 10.671 -1.934 -1.204 125 HA2 GLY 17 2HA GLY 17 10.738 -4.293 0.286 126 HA3 GLY 17 1HA GLY 17 10.428 -4.119 -1.438 127 H THR 18 H THR 18 12.036 -6.028 0.130 128 HA THR 18 HA THR 18 14.703 -5.504 -0.899 129 HB THR 18 HB THR 18 15.240 -7.707 0.274 130 HG1 THR 18 1HG THR 18 12.470 -7.570 0.841 131 HG21 THR 18 3HG2 THR 18 14.114 -5.489 1.984 132 HG22 THR 18 1HG2 THR 18 15.737 -5.536 1.295 133 HG23 THR 18 2HG2 THR 18 15.265 -6.716 2.515 134 H ASN 19 H ASN 19 11.832 -7.108 -1.466 135 HA ASN 19 HA ASN 19 12.868 -8.394 -3.896 136 HB2 ASN 19 2HB ASN 19 10.431 -9.080 -2.226 137 HB3 ASN 19 1HB ASN 19 10.890 -9.886 -3.710 138 HD21 ASN 19 1HD2 ASN 19 11.361 -9.586 -0.358 139 HD22 ASN 19 2HD2 ASN 19 12.462 -10.891 -0.157 140 H GLU 20 H GLU 20 11.306 -8.101 -5.695 141 HA GLU 20 HA GLU 20 9.900 -5.587 -5.360 142 HB2 GLU 20 2HB GLU 20 9.633 -5.582 -7.807 143 HB3 GLU 20 1HB GLU 20 11.310 -5.813 -7.349 144 HG2 GLU 20 2HG GLU 20 10.951 -8.258 -7.704 145 HG3 GLU 20 1HG GLU 20 9.387 -7.843 -8.407 146 H ASP 21 H ASP 21 9.231 -8.394 -4.526 147 HA ASP 21 HA ASP 21 6.460 -8.770 -5.280 148 HB2 ASP 21 2HB ASP 21 7.800 -10.695 -4.519 149 HB3 ASP 21 1HB ASP 21 8.162 -9.873 -3.013 150 H GLU 22 H GLU 22 8.397 -7.227 -2.904 151 HA GLU 22 HA GLU 22 6.279 -6.170 -1.275 152 HB2 GLU 22 2HB GLU 22 9.242 -5.777 -1.513 153 HB3 GLU 22 1HB GLU 22 8.270 -4.796 -0.429 154 HG2 GLU 22 2HG GLU 22 7.741 -6.615 0.866 155 HG3 GLU 22 1HG GLU 22 8.396 -7.793 -0.302 156 H LEU 23 H LEU 23 5.754 -3.952 -1.356 157 HA LEU 23 HA LEU 23 6.522 -2.773 -3.910 158 HG LEU 23 HG LEU 23 3.176 -1.271 -4.502 159 HB2 LEU 23 2HB LEU 23 4.072 -3.167 -3.594 160 HB3 LEU 23 1HB LEU 23 4.097 -2.071 -2.241 161 HD11 LEU 23 1HD1 LEU 23 3.534 0.252 -2.645 162 HD12 LEU 23 2HD1 LEU 23 4.047 1.034 -4.141 163 HD13 LEU 23 3HD1 LEU 23 5.247 0.369 -3.038 164 HD21 LEU 23 3HD2 LEU 23 4.970 -2.020 -5.928 165 HD22 LEU 23 1HD2 LEU 23 6.117 -0.976 -5.083 166 HD23 LEU 23 2HD2 LEU 23 4.810 -0.268 -6.025 167 H THR 24 H THR 24 7.640 -1.077 -4.021 168 HA THR 24 HA THR 24 8.645 0.051 -1.533 169 HB THR 24 HB THR 24 9.725 0.168 -4.363 170 HG1 THR 24 1HG THR 24 11.258 -1.268 -3.596 171 HG21 THR 24 3HG2 THR 24 10.371 2.211 -3.217 172 HG22 THR 24 1HG2 THR 24 11.773 1.155 -3.331 173 HG23 THR 24 2HG2 THR 24 10.895 1.313 -1.801 174 H PHE 25 H PHE 25 7.946 1.886 -0.859 175 HA PHE 25 HA PHE 25 7.136 3.929 -2.743 176 HD1 PHE 25 2HD PHE 25 5.933 4.426 1.221 177 HD2 PHE 25 1HD PHE 25 4.592 1.070 -0.992 178 HE1 PHE 25 2HE PHE 25 5.387 3.266 3.316 179 HE2 PHE 25 1HE PHE 25 4.046 -0.086 1.079 180 HZ PHE 25 HZ PHE 25 4.436 1.004 3.244 181 HB2 PHE 25 2HB PHE 25 5.236 4.546 -1.222 182 HB3 PHE 25 1HB PHE 25 5.036 3.044 -2.106 183 H ARG 26 H ARG 26 7.155 6.051 -1.875 184 HA ARG 26 HA ARG 26 9.060 6.362 0.329 185 HE ARG 26 HE ARG 26 11.099 7.711 -4.543 186 HB2 ARG 26 2HB ARG 26 8.032 8.421 -1.644 187 HB3 ARG 26 1HB ARG 26 9.283 8.695 -0.446 188 HG2 ARG 26 2HG ARG 26 10.670 6.979 -1.582 189 HG3 ARG 26 1HG ARG 26 9.431 6.874 -2.835 190 HD2 ARG 26 2HD ARG 26 9.724 9.293 -3.267 191 HD3 ARG 26 1HD ARG 26 11.019 9.320 -2.081 192 HH11 ARG 26 1HH1 ARG 26 12.776 9.718 -2.127 193 HH12 ARG 26 2HH1 ARG 26 14.244 9.736 -3.001 194 HH21 ARG 26 1HH2 ARG 26 13.154 7.766 -5.699 195 HH22 ARG 26 2HH2 ARG 26 14.466 8.604 -4.994 196 H GLU 27 H GLU 27 8.457 8.626 1.545 197 HA GLU 27 HA GLU 27 5.920 8.136 2.831 198 HB2 GLU 27 2HB GLU 27 7.815 8.797 4.197 199 HB3 GLU 27 1HB GLU 27 8.046 10.254 3.243 200 HG2 GLU 27 2HG GLU 27 5.761 10.973 3.985 201 HG3 GLU 27 1HG GLU 27 5.779 9.619 5.112 202 H GLY 28 H GLY 28 4.042 9.231 2.471 203 HA2 GLY 28 2HA GLY 28 2.710 11.075 1.982 204 HA3 GLY 28 1HA GLY 28 4.124 11.888 1.326 205 H GLU 29 H GLU 29 3.287 8.681 0.328 206 HA GLU 29 HA GLU 29 2.634 9.771 -2.313 207 HB2 GLU 29 2HB GLU 29 3.511 6.974 -1.542 208 HB3 GLU 29 1HB GLU 29 3.271 7.568 -3.175 209 HG2 GLU 29 2HG GLU 29 5.362 8.562 -1.248 210 HG3 GLU 29 1HG GLU 29 5.645 7.423 -2.552 211 H ILE 30 H ILE 30 0.814 8.858 -3.403 212 HA ILE 30 HA ILE 30 -1.217 7.751 -1.591 213 HB ILE 30 HB ILE 30 -1.561 8.962 -4.359 214 HG12 ILE 30 2HG1 ILE 30 -0.871 10.657 -2.700 215 HG13 ILE 30 1HG1 ILE 30 -2.520 10.935 -3.246 216 HG21 ILE 30 1HG2 ILE 30 -3.649 8.131 -2.330 217 HG22 ILE 30 2HG2 ILE 30 -3.311 7.339 -3.863 218 HG23 ILE 30 3HG2 ILE 30 -3.980 8.967 -3.847 219 HD11 ILE 30 3HD1 ILE 30 -2.304 11.321 -0.866 220 HD12 ILE 30 1HD1 ILE 30 -1.677 9.691 -0.631 221 HD13 ILE 30 2HD1 ILE 30 -3.343 9.926 -1.158 222 H ILE 31 H ILE 31 -1.754 5.687 -1.816 223 HA ILE 31 HA ILE 31 -0.721 4.254 -4.168 224 HB ILE 31 HB ILE 31 -1.241 3.217 -1.356 225 HG12 ILE 31 2HG1 ILE 31 1.346 3.615 -2.866 226 HG13 ILE 31 1HG1 ILE 31 0.782 4.585 -1.508 227 HG21 ILE 31 1HG2 ILE 31 -0.254 1.097 -2.106 228 HG22 ILE 31 2HG2 ILE 31 -0.164 1.724 -3.752 229 HG23 ILE 31 3HG2 ILE 31 -1.735 1.477 -2.989 230 HD11 ILE 31 3HD1 ILE 31 2.489 2.996 -0.826 231 HD12 ILE 31 1HD1 ILE 31 1.495 1.664 -1.414 232 HD13 ILE 31 2HD1 ILE 31 0.945 2.640 -0.050 233 H HIS 32 H HIS 32 -2.085 2.851 -5.255 234 HA HIS 32 HA HIS 32 -4.935 3.201 -4.761 235 HD1 HIS 32 1HD HIS 32 -2.686 2.784 -8.997 236 HD2 HIS 32 2HD HIS 32 -4.943 5.279 -6.536 237 HE1 HIS 32 1HE HIS 32 -2.541 5.087 -9.993 238 HB2 HIS 32 2HB HIS 32 -3.533 1.600 -6.943 239 HB3 HIS 32 1HB HIS 32 -5.230 2.044 -6.904 240 H LEU 33 H LEU 33 -5.647 1.892 -3.172 241 HA LEU 33 HA LEU 33 -4.210 -0.439 -2.424 242 HG LEU 33 HG LEU 33 -4.992 -1.246 -0.025 243 HB2 LEU 33 2HB LEU 33 -5.380 1.119 -0.861 244 HB3 LEU 33 1HB LEU 33 -6.901 0.575 -1.507 245 HD11 LEU 33 1HD1 LEU 33 -5.675 0.638 1.374 246 HD12 LEU 33 2HD1 LEU 33 -6.424 -0.857 1.917 247 HD13 LEU 33 3HD1 LEU 33 -7.365 0.316 0.993 248 HD21 LEU 33 3HD2 LEU 33 -6.866 -2.715 0.188 249 HD22 LEU 33 1HD2 LEU 33 -6.758 -2.268 -1.499 250 HD23 LEU 33 2HD2 LEU 33 -7.980 -1.510 -0.467 251 H ILE 34 H ILE 34 -4.519 -2.441 -3.007 252 HA ILE 34 HA ILE 34 -6.671 -3.008 -4.915 253 HB ILE 34 HB ILE 34 -4.082 -4.504 -4.409 254 HG12 ILE 34 2HG1 ILE 34 -3.644 -2.348 -5.471 255 HG13 ILE 34 1HG1 ILE 34 -3.359 -3.657 -6.610 256 HG21 ILE 34 1HG2 ILE 34 -5.808 -6.015 -5.188 257 HG22 ILE 34 2HG2 ILE 34 -4.597 -5.757 -6.447 258 HG23 ILE 34 3HG2 ILE 34 -6.158 -4.945 -6.549 259 HD11 ILE 34 3HD1 ILE 34 -5.521 -3.191 -7.666 260 HD12 ILE 34 1HD1 ILE 34 -4.455 -1.785 -7.677 261 HD13 ILE 34 2HD1 ILE 34 -5.783 -1.869 -6.524 262 H SER 35 H SER 35 -4.940 -4.433 -2.133 263 HA SER 35 HA SER 35 -7.392 -5.842 -1.425 264 HG SER 35 HG SER 35 -6.926 -6.980 -3.431 265 HB2 SER 35 2HB SER 35 -4.726 -7.258 -1.712 266 HB3 SER 35 1HB SER 35 -6.258 -7.982 -1.245 267 H LYS 36 H LYS 36 -7.701 -5.723 0.737 268 HA LYS 36 HA LYS 36 -5.427 -5.029 2.449 269 HB2 LYS 36 2HB LYS 36 -8.385 -4.733 2.784 270 HB3 LYS 36 1HB LYS 36 -7.379 -4.869 4.223 271 HG2 LYS 36 2HG LYS 36 -6.077 -2.960 3.507 272 HG3 LYS 36 1HG LYS 36 -7.044 -2.809 2.056 273 HD2 LYS 36 2HD LYS 36 -8.175 -2.619 4.835 274 HD3 LYS 36 1HD LYS 36 -7.619 -1.226 3.907 275 HE2 LYS 36 2HE LYS 36 -9.232 -1.913 2.118 276 HE3 LYS 36 1HE LYS 36 -9.870 -3.109 3.245 277 HZ1 LYS 36 3HZ LYS 36 -10.605 -1.386 4.702 278 HZ2 LYS 36 1HZ LYS 36 -11.056 -0.938 3.137 279 HZ3 LYS 36 2HZ LYS 36 -9.731 -0.212 3.843 280 H GLU 37 H GLU 37 -7.462 -7.600 1.632 281 HA GLU 37 HA GLU 37 -6.424 -9.111 3.902 282 HB2 GLU 37 2HB GLU 37 -8.940 -8.900 3.651 283 HB3 GLU 37 1HB GLU 37 -8.766 -9.748 2.127 284 HG2 GLU 37 2HG GLU 37 -8.148 -11.755 3.194 285 HG3 GLU 37 1HG GLU 37 -7.954 -10.946 4.753 286 H THR 38 H THR 38 -4.452 -9.439 2.941 287 HA THR 38 HA THR 38 -4.258 -10.488 0.288 288 HB THR 38 HB THR 38 -1.781 -10.436 1.031 289 HG1 THR 38 1HG THR 38 -2.196 -8.562 2.923 290 HG21 THR 38 3HG2 THR 38 -3.431 -7.893 0.980 291 HG22 THR 38 1HG2 THR 38 -2.817 -8.742 -0.437 292 HG23 THR 38 2HG2 THR 38 -1.692 -7.992 0.697 293 H GLY 39 H GLY 39 -4.510 -11.532 3.366 294 HA2 GLY 39 2HA GLY 39 -4.840 -14.114 3.381 295 HA3 GLY 39 1HA GLY 39 -3.098 -14.066 3.043 296 H GLU 40 H GLU 40 -2.356 -11.888 4.407 297 HA GLU 40 HA GLU 40 -2.994 -12.546 7.189 298 HB2 GLU 40 2HB GLU 40 -0.682 -13.152 6.489 299 HB3 GLU 40 1HB GLU 40 -0.411 -11.472 6.047 300 HG2 GLU 40 2HG GLU 40 -0.866 -10.843 8.403 301 HG3 GLU 40 1HG GLU 40 -0.949 -12.557 8.798 302 H ALA 41 H ALA 41 -4.290 -10.957 7.859 303 HA ALA 41 HA ALA 41 -4.375 -8.357 6.768 304 HB1 ALA 41 1HB ALA 41 -5.755 -7.783 8.718 305 HB2 ALA 41 2HB ALA 41 -5.299 -9.304 9.487 306 HB3 ALA 41 3HB ALA 41 -6.265 -9.317 8.013 307 H GLY 42 H GLY 42 -2.808 -7.037 6.839 308 HA2 GLY 42 2HA GLY 42 -1.563 -5.721 8.747 309 HA3 GLY 42 1HA GLY 42 -0.692 -7.261 8.791 310 H TRP 43 H TRP 43 -1.070 -7.887 6.085 311 HA TRP 43 HA TRP 43 0.731 -5.984 4.822 312 HD1 TRP 43 HD TRP 43 1.187 -9.783 6.316 313 HE1 TRP 43 1HE TRP 43 3.678 -10.065 6.889 314 HE3 TRP 43 3HE TRP 43 3.191 -6.695 2.772 315 HZ2 TRP 43 2HZ TRP 43 6.170 -9.085 5.968 316 HZ3 TRP 43 3HZ TRP 43 5.631 -6.425 2.682 317 HH2 TRP 43 HH TRP 43 7.089 -7.595 4.247 318 HB2 TRP 43 2HB TRP 43 -0.029 -8.831 4.125 319 HB3 TRP 43 1HB TRP 43 0.906 -7.797 3.059 320 H TRP 44 H TRP 44 -0.078 -4.643 3.424 321 HA TRP 44 HA TRP 44 -2.734 -5.143 2.309 322 HD1 TRP 44 HD TRP 44 -3.262 -4.814 4.657 323 HE1 TRP 44 1HE TRP 44 -4.888 -3.593 6.236 324 HE3 TRP 44 3HE TRP 44 -2.978 -0.116 2.661 325 HZ2 TRP 44 2HZ TRP 44 -5.905 -0.997 6.599 326 HZ3 TRP 44 3HZ TRP 44 -4.315 1.678 3.686 327 HH2 TRP 44 HH TRP 44 -5.750 1.238 5.610 328 HB2 TRP 44 2HB TRP 44 -1.188 -2.608 2.847 329 HB3 TRP 44 1HB TRP 44 -2.525 -2.651 1.713 330 H LYS 45 H LYS 45 -2.948 -4.946 0.114 331 HA LYS 45 HA LYS 45 -0.420 -4.908 -1.369 332 HB2 LYS 45 2HB LYS 45 -1.749 -7.013 -1.507 333 HB3 LYS 45 1HB LYS 45 -3.102 -6.075 -2.114 334 HG2 LYS 45 2HG LYS 45 -1.829 -5.495 -4.100 335 HG3 LYS 45 1HG LYS 45 -0.453 -6.423 -3.495 336 HD2 LYS 45 2HD LYS 45 -1.856 -8.431 -3.454 337 HD3 LYS 45 1HD LYS 45 -3.195 -7.495 -4.115 338 HE2 LYS 45 2HE LYS 45 -1.864 -7.019 -6.116 339 HE3 LYS 45 1HE LYS 45 -0.535 -7.962 -5.446 340 HZ1 LYS 45 3HZ LYS 45 -1.970 -9.927 -5.498 341 HZ2 LYS 45 1HZ LYS 45 -1.833 -9.239 -7.034 342 HZ3 LYS 45 2HZ LYS 45 -3.223 -9.001 -6.139 343 H GLY 46 H GLY 46 -0.177 -3.296 -2.728 344 HA2 GLY 46 2HA GLY 46 -2.503 -1.812 -3.607 345 HA3 GLY 46 1HA GLY 46 -1.284 -0.940 -2.688 346 H GLU 47 H GLU 47 -1.996 -0.329 -5.240 347 HA GLU 47 HA GLU 47 0.343 -1.154 -6.758 348 HB2 GLU 47 2HB GLU 47 -1.767 -1.852 -7.769 349 HB3 GLU 47 1HB GLU 47 -2.382 -0.221 -7.670 350 HG2 GLU 47 2HG GLU 47 0.058 -0.803 -9.291 351 HG3 GLU 47 1HG GLU 47 -1.544 -1.160 -9.932 352 H LEU 48 H LEU 48 1.737 0.263 -7.280 353 HA LEU 48 HA LEU 48 1.118 3.096 -7.237 354 HG LEU 48 HG LEU 48 3.900 4.164 -6.514 355 HB2 LEU 48 2HB LEU 48 1.966 2.439 -4.971 356 HB3 LEU 48 1HB LEU 48 3.425 1.877 -5.767 357 HD11 LEU 48 1HD1 LEU 48 2.644 6.023 -5.539 358 HD12 LEU 48 2HD1 LEU 48 1.480 4.877 -4.878 359 HD13 LEU 48 3HD1 LEU 48 1.666 5.044 -6.626 360 HD21 LEU 48 3HD2 LEU 48 4.484 5.065 -4.310 361 HD22 LEU 48 1HD2 LEU 48 4.885 3.355 -4.462 362 HD23 LEU 48 2HD2 LEU 48 3.455 3.851 -3.557 363 H ASN 49 H ASN 49 1.976 3.961 -8.976 364 HA ASN 49 HA ASN 49 3.185 4.404 -10.813 365 HB2 ASN 49 2HB ASN 49 5.355 2.766 -9.471 366 HB3 ASN 49 1HB ASN 49 5.586 3.676 -10.958 367 HD21 ASN 49 1HD2 ASN 49 5.422 3.785 -7.561 368 HD22 ASN 49 2HD2 ASN 49 5.699 5.474 -7.353 369 H GLY 50 H GLY 50 1.558 1.870 -10.469 370 HA2 GLY 50 2HA GLY 50 0.843 0.610 -12.297 371 HA3 GLY 50 1HA GLY 50 2.479 0.641 -12.946 372 H LYS 51 H LYS 51 3.197 0.064 -9.887 373 HA LYS 51 HA LYS 51 3.189 -2.807 -10.391 374 HB2 LYS 51 2HB LYS 51 4.985 -1.146 -8.618 375 HB3 LYS 51 1HB LYS 51 4.993 -2.896 -8.645 376 HG2 LYS 51 2HG LYS 51 6.826 -2.162 -9.921 377 HG3 LYS 51 1HG LYS 51 5.634 -2.763 -11.062 378 HD2 LYS 51 2HD LYS 51 4.921 -0.505 -11.573 379 HD3 LYS 51 1HD LYS 51 6.027 0.146 -10.370 380 HE2 LYS 51 2HE LYS 51 7.922 -0.694 -11.645 381 HE3 LYS 51 1HE LYS 51 6.821 -1.401 -12.830 382 HZ1 LYS 51 3HZ LYS 51 7.723 0.738 -13.537 383 HZ2 LYS 51 1HZ LYS 51 7.018 1.491 -12.211 384 HZ3 LYS 51 2HZ LYS 51 6.054 0.772 -13.406 385 H GLU 52 H GLU 52 2.299 -4.131 -9.069 386 HA GLU 52 HA GLU 52 1.055 -3.033 -6.676 387 HB2 GLU 52 2HB GLU 52 -0.641 -4.871 -6.882 388 HB3 GLU 52 1HB GLU 52 -0.703 -3.696 -8.181 389 HG2 GLU 52 2HG GLU 52 0.431 -5.230 -9.665 390 HG3 GLU 52 1HG GLU 52 0.617 -6.396 -8.357 391 H GLY 53 H GLY 53 1.798 -3.715 -4.878 392 HA2 GLY 53 2HA GLY 53 2.878 -6.403 -4.690 393 HA3 GLY 53 1HA GLY 53 3.961 -5.076 -4.289 394 H VAL 54 H VAL 54 3.911 -6.245 -2.205 395 HA VAL 54 HA VAL 54 1.549 -5.434 -0.681 396 HB VAL 54 HB VAL 54 2.051 -7.285 0.931 397 HG11 VAL 54 1HG1 VAL 54 1.156 -9.093 -0.461 398 HG12 VAL 54 2HG1 VAL 54 1.509 -8.142 -1.905 399 HG13 VAL 54 3HG1 VAL 54 0.317 -7.565 -0.738 400 HG21 VAL 54 3HG2 VAL 54 3.506 -9.133 0.204 401 HG22 VAL 54 1HG2 VAL 54 4.412 -7.629 0.404 402 HG23 VAL 54 2HG2 VAL 54 3.981 -8.193 -1.210 403 H PHE 55 H PHE 55 1.825 -4.716 1.395 404 HA PHE 55 HA PHE 55 4.458 -4.127 2.375 405 HD1 PHE 55 2HD PHE 55 2.036 -2.286 -0.558 406 HD2 PHE 55 1HD PHE 55 2.076 -0.767 3.420 407 HE1 PHE 55 2HE PHE 55 -0.104 -1.157 -0.968 408 HE2 PHE 55 1HE PHE 55 -0.064 0.371 3.010 409 HZ PHE 55 HZ PHE 55 -1.158 0.176 0.813 410 HB2 PHE 55 2HB PHE 55 4.119 -1.689 2.381 411 HB3 PHE 55 1HB PHE 55 4.042 -2.359 0.748 412 HA PRO 56 HA PRO 56 2.026 -4.457 6.139 413 HB2 PRO 56 2HB PRO 56 3.983 -2.595 7.362 414 HB3 PRO 56 1HB PRO 56 3.560 -4.244 7.846 415 HG2 PRO 56 2HG PRO 56 5.901 -3.792 6.676 416 HG3 PRO 56 1HG PRO 56 4.939 -5.211 6.230 417 HD2 PRO 56 2HD PRO 56 5.170 -2.586 4.796 418 HD3 PRO 56 1HD PRO 56 5.299 -4.244 4.156 419 H ASP 57 H ASP 57 0.353 -3.379 6.949 420 HA ASP 57 HA ASP 57 -0.562 -0.972 5.796 421 HB2 ASP 57 2HB ASP 57 -2.504 -1.156 7.152 422 HB3 ASP 57 1HB ASP 57 -2.014 -2.792 6.752 423 H ASN 58 H ASN 58 1.573 -1.372 8.293 424 HA ASN 58 HA ASN 58 0.800 0.721 10.074 425 HB2 ASN 58 2HB ASN 58 3.511 -0.567 9.787 426 HB3 ASN 58 1HB ASN 58 2.922 0.345 11.171 427 HD21 ASN 58 1HD2 ASN 58 1.397 -0.607 12.522 428 HD22 ASN 58 2HD2 ASN 58 1.101 -2.299 12.514 429 H PHE 59 H PHE 59 2.215 0.802 7.043 430 HA PHE 59 HA PHE 59 3.615 3.275 7.700 431 HD1 PHE 59 1HD PHE 59 5.787 2.776 8.279 432 HD2 PHE 59 2HD PHE 59 4.992 -0.469 5.652 433 HE1 PHE 59 1HE PHE 59 7.298 1.369 9.574 434 HE2 PHE 59 2HE PHE 59 6.522 -1.884 6.953 435 HZ PHE 59 HZ PHE 59 7.669 -0.965 8.917 436 HB2 PHE 59 2HB PHE 59 3.947 1.525 5.275 437 HB3 PHE 59 1HB PHE 59 4.914 2.939 5.681 438 H ALA 60 H ALA 60 0.648 2.565 6.830 439 HA ALA 60 HA ALA 60 0.453 4.901 5.116 440 HB1 ALA 60 1HB ALA 60 -0.953 3.778 3.495 441 HB2 ALA 60 2HB ALA 60 -0.796 2.258 4.376 442 HB3 ALA 60 3HB ALA 60 0.611 2.971 3.592 443 H VAL 61 H VAL 61 -1.581 5.849 5.086 444 HA VAL 61 HA VAL 61 -3.522 4.826 7.025 445 HB VAL 61 HB VAL 61 -2.466 6.845 7.981 446 HG11 VAL 61 1HG1 VAL 61 -2.666 9.049 6.917 447 HG12 VAL 61 2HG1 VAL 61 -3.338 8.279 5.477 448 HG13 VAL 61 3HG1 VAL 61 -1.682 7.935 5.966 449 HG21 VAL 61 3HG2 VAL 61 -5.262 7.409 7.005 450 HG22 VAL 61 1HG2 VAL 61 -4.461 8.246 8.333 451 HG23 VAL 61 2HG2 VAL 61 -4.824 6.527 8.470 452 H GLN 62 H GLN 62 -5.592 4.637 6.242 453 HA GLN 62 HA GLN 62 -5.883 4.965 3.405 454 HB2 GLN 62 2HB GLN 62 -6.929 3.123 5.004 455 HB3 GLN 62 1HB GLN 62 -8.207 4.315 5.180 456 HG2 GLN 62 2HG GLN 62 -8.507 4.325 2.732 457 HG3 GLN 62 1HG GLN 62 -7.277 3.072 2.594 458 HE21 GLN 62 1HE2 GLN 62 -10.554 3.770 3.273 459 HE22 GLN 62 2HE2 GLN 62 -11.072 2.157 3.574 460 H ILE 63 H ILE 63 -6.764 6.593 2.397 461 HA ILE 63 HA ILE 63 -7.618 8.943 3.915 462 HB ILE 63 HB ILE 63 -7.270 8.613 0.921 463 HG12 ILE 63 2HG1 ILE 63 -5.160 8.111 1.990 464 HG13 ILE 63 1HG1 ILE 63 -5.060 9.671 1.183 465 HG21 ILE 63 1HG2 ILE 63 -7.080 11.054 0.877 466 HG22 ILE 63 2HG2 ILE 63 -7.339 11.106 2.617 467 HG23 ILE 63 3HG2 ILE 63 -8.628 10.540 1.554 468 HD11 ILE 63 3HD1 ILE 63 -5.409 9.212 4.144 469 HD12 ILE 63 1HD1 ILE 63 -5.373 10.787 3.352 470 HD13 ILE 63 2HD1 ILE 63 -3.941 9.758 3.333 471 H SER 64 H SER 64 -8.652 6.860 1.285 472 HA SER 64 HA SER 64 -11.422 7.614 1.743 473 HG SER 64 HG SER 64 -10.517 9.208 0.294 474 HB2 SER 64 2HB SER 64 -10.090 6.696 -0.819 475 HB3 SER 64 1HB SER 64 -11.751 7.263 -0.632 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -12.883 -10.020 0.762 2 H2 GLY 1 2HT GLY 1 -13.661 -10.894 1.997 3 H3 GLY 1 3HT GLY 1 -12.365 -9.895 2.369 4 HA2 GLY 1 1HA GLY 1 -14.981 -9.003 1.323 5 HA3 GLY 1 2HA GLY 1 -14.452 -8.908 2.995 6 H ALA 2 H ALA 2 -11.851 -8.020 2.744 7 HA ALA 2 HA ALA 2 -12.446 -5.310 1.968 8 HB1 ALA 2 1HB ALA 2 -10.078 -6.406 3.471 9 HB2 ALA 2 2HB ALA 2 -11.523 -5.687 4.189 10 HB3 ALA 2 3HB ALA 2 -10.440 -4.698 3.208 11 H MET 3 H MET 3 -12.429 -5.644 -0.216 12 HA MET 3 HA MET 3 -9.846 -5.222 -1.472 13 HB2 MET 3 2HB MET 3 -10.193 -7.653 -1.715 14 HB3 MET 3 1HB MET 3 -11.802 -7.357 -2.355 15 HG2 MET 3 2HG MET 3 -10.785 -6.176 -4.278 16 HG3 MET 3 1HG MET 3 -9.195 -6.591 -3.656 17 HE1 MET 3 3HE MET 3 -12.557 -7.926 -5.153 18 HE2 MET 3 1HE MET 3 -12.472 -8.858 -3.660 19 HE3 MET 3 2HE MET 3 -12.277 -9.668 -5.209 20 H GLY 4 H GLY 4 -10.099 -3.677 -3.078 21 HA2 GLY 4 2HA GLY 4 -12.634 -3.299 -4.337 22 HA3 GLY 4 1HA GLY 4 -12.223 -2.029 -3.188 23 H ALA 5 H ALA 5 -12.310 -0.763 -5.189 24 HA ALA 5 HA ALA 5 -9.638 -0.740 -6.393 25 HB1 ALA 5 1HB ALA 5 -11.322 -1.491 -8.015 26 HB2 ALA 5 2HB ALA 5 -10.591 0.042 -8.479 27 HB3 ALA 5 3HB ALA 5 -12.210 0.015 -7.772 28 H LYS 6 H LYS 6 -12.369 1.059 -5.236 29 HA LYS 6 HA LYS 6 -10.795 3.484 -5.397 30 HB2 LYS 6 2HB LYS 6 -13.086 3.659 -6.284 31 HB3 LYS 6 1HB LYS 6 -13.726 3.169 -4.723 32 HG2 LYS 6 2HG LYS 6 -12.848 5.179 -3.682 33 HG3 LYS 6 1HG LYS 6 -12.116 5.675 -5.204 34 HD2 LYS 6 2HD LYS 6 -15.070 5.263 -4.794 35 HD3 LYS 6 1HD LYS 6 -14.270 6.826 -4.650 36 HE2 LYS 6 2HE LYS 6 -14.351 5.095 -7.131 37 HE3 LYS 6 1HE LYS 6 -15.334 6.523 -6.839 38 HZ1 LYS 6 3HZ LYS 6 -13.282 7.823 -6.713 39 HZ2 LYS 6 1HZ LYS 6 -13.469 7.073 -8.216 40 HZ3 LYS 6 2HZ LYS 6 -12.385 6.455 -7.090 41 H GLU 7 H GLU 7 -9.420 2.584 -3.834 42 HA GLU 7 HA GLU 7 -10.071 3.731 -1.272 43 HB2 GLU 7 2HB GLU 7 -8.858 0.953 -1.556 44 HB3 GLU 7 1HB GLU 7 -8.913 1.858 -0.053 45 HG2 GLU 7 2HG GLU 7 -11.494 1.799 -0.485 46 HG3 GLU 7 1HG GLU 7 -11.081 0.431 -1.520 47 H TYR 8 H TYR 8 -8.564 5.268 -1.185 48 HA TYR 8 HA TYR 8 -5.940 4.559 -2.304 49 HD1 TYR 8 1HD TYR 8 -9.148 6.589 -3.267 50 HD2 TYR 8 2HD TYR 8 -5.218 6.462 -4.890 51 HE1 TYR 8 1HE TYR 8 -10.092 6.470 -5.530 52 HE2 TYR 8 2HE TYR 8 -6.157 6.347 -7.160 53 HH TYR 8 HH TYR 8 -8.237 5.680 -8.277 54 HB2 TYR 8 2HB TYR 8 -7.051 7.358 -1.935 55 HB3 TYR 8 1HB TYR 8 -5.504 6.933 -2.604 56 H CYS 9 H CYS 9 -4.226 4.652 -1.062 57 HA CYS 9 HA CYS 9 -4.641 5.683 1.624 58 HG CYS 9 HG CYS 9 -1.507 2.895 0.491 59 HB2 CYS 9 2HB CYS 9 -3.025 3.904 2.389 60 HB3 CYS 9 1HB CYS 9 -4.578 3.303 1.829 61 H ARG 10 H ARG 10 -2.935 6.648 2.612 62 HA ARG 10 HA ARG 10 -1.007 7.758 0.733 63 HE ARG 10 HE ARG 10 0.610 12.048 3.548 64 HB2 ARG 10 2HB ARG 10 -2.554 9.388 1.687 65 HB3 ARG 10 1HB ARG 10 -2.135 8.858 3.307 66 HG2 ARG 10 2HG ARG 10 0.096 9.694 3.055 67 HG3 ARG 10 1HG ARG 10 -0.212 10.103 1.367 68 HD2 ARG 10 2HD ARG 10 -1.877 11.723 2.039 69 HD3 ARG 10 1HD ARG 10 -1.657 11.281 3.733 70 HH11 ARG 10 1HH1 ARG 10 -1.729 13.320 1.159 71 HH12 ARG 10 2HH1 ARG 10 -0.777 14.657 0.751 72 HH21 ARG 10 1HH2 ARG 10 1.863 13.915 3.008 73 HH22 ARG 10 2HH2 ARG 10 1.302 15.048 1.875 74 H THR 11 H THR 11 1.056 7.521 1.140 75 HA THR 11 HA THR 11 2.072 5.555 2.879 76 HB THR 11 HB THR 11 4.230 6.543 2.129 77 HG1 THR 11 1HG THR 11 2.850 8.637 2.032 78 HG21 THR 11 3HG2 THR 11 3.897 6.082 -0.248 79 HG22 THR 11 1HG2 THR 11 2.149 6.252 -0.054 80 HG23 THR 11 2HG2 THR 11 2.999 4.914 0.717 81 H LEU 12 H LEU 12 2.982 5.813 4.972 82 HA LEU 12 HA LEU 12 2.963 8.561 6.034 83 HG LEU 12 HG LEU 12 0.819 6.395 6.608 84 HB2 LEU 12 2HB LEU 12 3.086 5.908 7.450 85 HB3 LEU 12 1HB LEU 12 3.107 7.471 8.232 86 HD11 LEU 12 1HD1 LEU 12 -0.281 6.133 8.793 87 HD12 LEU 12 2HD1 LEU 12 1.213 6.613 9.594 88 HD13 LEU 12 3HD1 LEU 12 1.153 5.119 8.657 89 HD21 LEU 12 3HD2 LEU 12 -0.405 8.281 7.639 90 HD22 LEU 12 1HD2 LEU 12 0.908 8.819 6.589 91 HD23 LEU 12 2HD2 LEU 12 1.115 8.847 8.337 92 H PHE 13 H PHE 13 5.042 5.975 5.066 93 HA PHE 13 HA PHE 13 7.407 7.451 5.883 94 HD1 PHE 13 1HD PHE 13 8.182 7.441 8.726 95 HD2 PHE 13 2HD PHE 13 5.172 4.495 8.155 96 HE1 PHE 13 1HE PHE 13 7.169 8.048 10.890 97 HE2 PHE 13 2HE PHE 13 4.162 5.095 10.305 98 HZ PHE 13 HZ PHE 13 5.154 6.872 11.671 99 HB2 PHE 13 2HB PHE 13 7.030 4.555 6.736 100 HB3 PHE 13 1HB PHE 13 8.419 5.566 7.066 101 HA PRO 14 HA PRO 14 8.596 5.349 2.159 102 HB2 PRO 14 2HB PRO 14 11.275 5.559 2.288 103 HB3 PRO 14 1HB PRO 14 10.254 6.934 1.857 104 HG2 PRO 14 2HG PRO 14 11.601 6.321 4.444 105 HG3 PRO 14 1HG PRO 14 11.298 7.892 3.683 106 HD2 PRO 14 2HD PRO 14 9.807 6.835 5.753 107 HD3 PRO 14 1HD PRO 14 9.219 8.064 4.617 108 H TYR 15 H TYR 15 8.319 3.281 2.161 109 HA TYR 15 HA TYR 15 9.994 1.574 3.864 110 HD1 TYR 15 2HD TYR 15 9.223 -0.322 5.586 111 HD2 TYR 15 1HD TYR 15 7.263 -1.220 1.925 112 HE1 TYR 15 2HE TYR 15 9.655 -2.710 5.949 113 HE2 TYR 15 1HE TYR 15 7.692 -3.614 2.277 114 HH TYR 15 HH TYR 15 9.339 -4.979 3.505 115 HB2 TYR 15 2HB TYR 15 7.622 1.308 4.423 116 HB3 TYR 15 1HB TYR 15 7.240 0.990 2.734 117 H THR 16 H THR 16 11.282 0.128 2.907 118 HA THR 16 HA THR 16 11.131 0.024 -0.008 119 HB THR 16 HB THR 16 13.556 -0.413 1.748 120 HG1 THR 16 1HG THR 16 12.427 1.732 1.566 121 HG21 THR 16 3HG2 THR 16 13.641 -1.473 -0.492 122 HG22 THR 16 1HG2 THR 16 14.789 -0.139 -0.362 123 HG23 THR 16 2HG2 THR 16 13.269 0.082 -1.230 124 H GLY 17 H GLY 17 10.782 -1.880 -0.889 125 HA2 GLY 17 2HA GLY 17 10.347 -4.158 0.788 126 HA3 GLY 17 1HA GLY 17 10.213 -4.102 -0.972 127 H THR 18 H THR 18 11.530 -6.098 0.705 128 HA THR 18 HA THR 18 14.328 -5.631 -0.012 129 HB THR 18 HB THR 18 13.816 -6.306 2.350 130 HG1 THR 18 1HG THR 18 15.827 -6.844 1.444 131 HG21 THR 18 3HG2 THR 18 12.921 -8.902 1.091 132 HG22 THR 18 1HG2 THR 18 11.896 -7.760 1.957 133 HG23 THR 18 2HG2 THR 18 13.155 -8.647 2.819 134 H ASN 19 H ASN 19 11.760 -6.589 -1.441 135 HA ASN 19 HA ASN 19 13.038 -8.199 -3.390 136 HB2 ASN 19 2HB ASN 19 11.348 -9.984 -3.341 137 HB3 ASN 19 1HB ASN 19 12.272 -9.983 -1.842 138 HD21 ASN 19 1HD2 ASN 19 11.191 -9.511 0.064 139 HD22 ASN 19 2HD2 ASN 19 9.480 -9.388 0.148 140 H GLU 20 H GLU 20 11.140 -8.626 -5.131 141 HA GLU 20 HA GLU 20 10.246 -5.953 -5.684 142 HB2 GLU 20 2HB GLU 20 10.026 -8.469 -7.309 143 HB3 GLU 20 1HB GLU 20 9.512 -6.882 -7.857 144 HG2 GLU 20 2HG GLU 20 12.301 -7.654 -7.073 145 HG3 GLU 20 1HG GLU 20 11.698 -7.496 -8.720 146 H ASP 21 H ASP 21 8.630 -8.910 -4.685 147 HA ASP 21 HA ASP 21 6.004 -7.998 -5.436 148 HB2 ASP 21 2HB ASP 21 6.584 -10.437 -5.111 149 HB3 ASP 21 1HB ASP 21 6.684 -10.134 -3.382 150 H GLU 22 H GLU 22 8.081 -7.524 -2.851 151 HA GLU 22 HA GLU 22 6.084 -6.337 -1.120 152 HB2 GLU 22 2HB GLU 22 8.136 -7.680 -0.383 153 HB3 GLU 22 1HB GLU 22 9.094 -6.310 -0.897 154 HG2 GLU 22 2HG GLU 22 8.133 -4.923 0.755 155 HG3 GLU 22 1HG GLU 22 6.949 -6.165 1.190 156 H LEU 23 H LEU 23 5.431 -4.341 -1.621 157 HA LEU 23 HA LEU 23 6.751 -2.991 -3.782 158 HG LEU 23 HG LEU 23 3.436 -1.370 -4.614 159 HB2 LEU 23 2HB LEU 23 4.241 -3.338 -3.582 160 HB3 LEU 23 1HB LEU 23 4.239 -2.133 -2.328 161 HD11 LEU 23 1HD1 LEU 23 4.574 0.777 -4.579 162 HD12 LEU 23 2HD1 LEU 23 5.757 0.130 -3.445 163 HD13 LEU 23 3HD1 LEU 23 4.061 0.270 -2.973 164 HD21 LEU 23 3HD2 LEU 23 5.062 -2.578 -5.956 165 HD22 LEU 23 1HD2 LEU 23 6.352 -1.569 -5.307 166 HD23 LEU 23 2HD2 LEU 23 5.091 -0.850 -6.308 167 H THR 24 H THR 24 7.801 -1.160 -3.787 168 HA THR 24 HA THR 24 8.659 -0.047 -1.213 169 HB THR 24 HB THR 24 9.847 0.122 -3.983 170 HG1 THR 24 1HG THR 24 10.008 -1.854 -2.834 171 HG21 THR 24 3HG2 THR 24 10.868 1.313 -1.380 172 HG22 THR 24 1HG2 THR 24 10.373 2.187 -2.821 173 HG23 THR 24 2HG2 THR 24 11.827 1.191 -2.857 174 H PHE 25 H PHE 25 7.897 1.862 -0.596 175 HA PHE 25 HA PHE 25 7.076 3.803 -2.593 176 HD1 PHE 25 1HD PHE 25 5.351 4.457 1.298 177 HD2 PHE 25 2HD PHE 25 5.005 0.774 -0.795 178 HE1 PHE 25 1HE PHE 25 4.847 3.305 3.406 179 HE2 PHE 25 2HE PHE 25 4.510 -0.375 1.296 180 HZ PHE 25 HZ PHE 25 4.424 0.880 3.406 181 HB2 PHE 25 2HB PHE 25 5.097 4.387 -1.132 182 HB3 PHE 25 1HB PHE 25 4.981 2.855 -1.980 183 H ARG 26 H ARG 26 6.972 6.002 -1.752 184 HA ARG 26 HA ARG 26 8.976 6.386 0.352 185 HE ARG 26 HE ARG 26 8.154 7.529 -3.780 186 HB2 ARG 26 2HB ARG 26 8.152 7.982 -2.030 187 HB3 ARG 26 1HB ARG 26 9.233 8.607 -0.803 188 HG2 ARG 26 2HG ARG 26 10.944 7.227 -1.422 189 HG3 ARG 26 1HG ARG 26 9.854 6.009 -2.092 190 HD2 ARG 26 2HD ARG 26 10.312 8.737 -3.254 191 HD3 ARG 26 1HD ARG 26 11.097 7.248 -3.797 192 HH11 ARG 26 1HH1 ARG 26 11.089 6.607 -5.517 193 HH12 ARG 26 2HH1 ARG 26 10.262 6.158 -6.933 194 HH21 ARG 26 1HH2 ARG 26 7.046 6.967 -5.643 195 HH22 ARG 26 2HH2 ARG 26 7.864 6.319 -7.007 196 H GLU 27 H GLU 27 8.552 9.038 0.826 197 HA GLU 27 HA GLU 27 6.060 8.955 2.336 198 HB2 GLU 27 2HB GLU 27 8.135 9.680 3.451 199 HB3 GLU 27 1HB GLU 27 8.297 11.002 2.315 200 HG2 GLU 27 2HG GLU 27 6.083 11.860 3.169 201 HG3 GLU 27 1HG GLU 27 6.197 10.641 4.438 202 H GLY 28 H GLY 28 4.357 10.325 2.004 203 HA2 GLY 28 2HA GLY 28 3.086 12.017 1.105 204 HA3 GLY 28 1HA GLY 28 4.509 12.590 0.251 205 H GLU 29 H GLU 29 3.348 9.284 -0.053 206 HA GLU 29 HA GLU 29 2.528 10.022 -2.738 207 HB2 GLU 29 2HB GLU 29 3.810 7.447 -1.859 208 HB3 GLU 29 1HB GLU 29 3.167 7.745 -3.470 209 HG2 GLU 29 2HG GLU 29 4.698 9.717 -3.587 210 HG3 GLU 29 1HG GLU 29 5.456 9.122 -2.116 211 H ILE 30 H ILE 30 0.981 8.676 -3.751 212 HA ILE 30 HA ILE 30 -1.117 7.899 -1.854 213 HB ILE 30 HB ILE 30 -1.423 8.868 -4.712 214 HG12 ILE 30 2HG1 ILE 30 -0.560 10.696 -3.336 215 HG13 ILE 30 1HG1 ILE 30 -2.232 11.003 -3.774 216 HG21 ILE 30 1HG2 ILE 30 -3.252 7.442 -3.970 217 HG22 ILE 30 2HG2 ILE 30 -3.803 9.109 -4.143 218 HG23 ILE 30 3HG2 ILE 30 -3.478 8.451 -2.541 219 HD11 ILE 30 3HD1 ILE 30 -1.250 9.995 -1.104 220 HD12 ILE 30 1HD1 ILE 30 -2.933 10.304 -1.536 221 HD13 ILE 30 2HD1 ILE 30 -1.778 11.637 -1.467 222 H ILE 31 H ILE 31 -1.693 5.838 -1.956 223 HA ILE 31 HA ILE 31 -0.693 4.226 -4.195 224 HB ILE 31 HB ILE 31 -1.127 3.416 -1.296 225 HG12 ILE 31 2HG1 ILE 31 1.454 3.736 -2.842 226 HG13 ILE 31 1HG1 ILE 31 0.870 4.819 -1.583 227 HG21 ILE 31 1HG2 ILE 31 -0.038 1.793 -3.596 228 HG22 ILE 31 2HG2 ILE 31 -1.591 1.560 -2.795 229 HG23 ILE 31 3HG2 ILE 31 -0.091 1.278 -1.910 230 HD11 ILE 31 3HD1 ILE 31 1.060 3.031 0.057 231 HD12 ILE 31 1HD1 ILE 31 2.600 3.307 -0.755 232 HD13 ILE 31 2HD1 ILE 31 1.603 1.919 -1.199 233 H HIS 32 H HIS 32 -2.120 2.800 -5.075 234 HA HIS 32 HA HIS 32 -4.939 3.153 -4.429 235 HD1 HIS 32 1HD HIS 32 -6.151 3.185 -8.182 236 HD2 HIS 32 2HD HIS 32 -2.386 4.335 -6.864 237 HE1 HIS 32 1HE HIS 32 -5.520 5.199 -9.543 238 HB2 HIS 32 2HB HIS 32 -3.556 1.503 -6.574 239 HB3 HIS 32 1HB HIS 32 -5.292 1.676 -6.409 240 H LEU 33 H LEU 33 -5.749 1.854 -2.913 241 HA LEU 33 HA LEU 33 -4.250 -0.434 -2.062 242 HG LEU 33 HG LEU 33 -4.985 -1.164 0.358 243 HB2 LEU 33 2HB LEU 33 -5.380 1.193 -0.516 244 HB3 LEU 33 1HB LEU 33 -6.920 0.643 -1.115 245 HD11 LEU 33 1HD1 LEU 33 -6.391 -0.764 2.313 246 HD12 LEU 33 2HD1 LEU 33 -7.314 0.432 1.403 247 HD13 LEU 33 3HD1 LEU 33 -5.612 0.721 1.766 248 HD21 LEU 33 3HD2 LEU 33 -6.948 -2.545 0.738 249 HD22 LEU 33 1HD2 LEU 33 -6.727 -2.294 -0.992 250 HD23 LEU 33 2HD2 LEU 33 -7.966 -1.387 -0.119 251 H ILE 34 H ILE 34 -4.486 -2.302 -2.900 252 HA ILE 34 HA ILE 34 -6.665 -2.825 -4.742 253 HB ILE 34 HB ILE 34 -4.187 -4.458 -4.086 254 HG12 ILE 34 2HG1 ILE 34 -4.775 -2.667 -6.458 255 HG13 ILE 34 1HG1 ILE 34 -3.629 -2.337 -5.164 256 HG21 ILE 34 1HG2 ILE 34 -5.925 -5.926 -4.938 257 HG22 ILE 34 2HG2 ILE 34 -4.666 -5.670 -6.163 258 HG23 ILE 34 3HG2 ILE 34 -6.204 -4.826 -6.301 259 HD11 ILE 34 3HD1 ILE 34 -3.435 -4.697 -6.987 260 HD12 ILE 34 1HD1 ILE 34 -2.223 -4.122 -5.856 261 HD13 ILE 34 2HD1 ILE 34 -2.622 -3.174 -7.299 262 H SER 35 H SER 35 -5.210 -4.238 -1.813 263 HA SER 35 HA SER 35 -7.773 -5.339 -1.034 264 HG SER 35 HG SER 35 -7.343 -6.316 -3.173 265 HB2 SER 35 2HB SER 35 -5.412 -7.164 -1.553 266 HB3 SER 35 1HB SER 35 -6.968 -7.648 -0.889 267 H LYS 36 H LYS 36 -7.888 -5.470 1.195 268 HA LYS 36 HA LYS 36 -5.463 -4.974 2.729 269 HB2 LYS 36 2HB LYS 36 -8.354 -5.271 3.551 270 HB3 LYS 36 1HB LYS 36 -7.042 -5.055 4.696 271 HG2 LYS 36 2HG LYS 36 -6.539 -2.902 3.739 272 HG3 LYS 36 1HG LYS 36 -7.829 -3.051 2.567 273 HD2 LYS 36 2HD LYS 36 -9.441 -3.241 4.444 274 HD3 LYS 36 1HD LYS 36 -8.096 -3.000 5.563 275 HE2 LYS 36 2HE LYS 36 -9.102 -0.865 5.290 276 HE3 LYS 36 1HE LYS 36 -7.608 -0.904 4.352 277 HZ1 LYS 36 3HZ LYS 36 -10.349 -1.162 3.248 278 HZ2 LYS 36 1HZ LYS 36 -8.958 -1.236 2.297 279 HZ3 LYS 36 2HZ LYS 36 -9.337 0.149 3.130 280 H GLU 37 H GLU 37 -7.343 -7.520 1.581 281 HA GLU 37 HA GLU 37 -6.180 -9.331 3.519 282 HB2 GLU 37 2HB GLU 37 -8.561 -9.696 1.707 283 HB3 GLU 37 1HB GLU 37 -7.870 -10.986 2.686 284 HG2 GLU 37 2HG GLU 37 -8.314 -9.731 4.696 285 HG3 GLU 37 1HG GLU 37 -8.938 -8.400 3.733 286 H THR 38 H THR 38 -4.285 -9.876 2.795 287 HA THR 38 HA THR 38 -3.978 -10.648 -0.014 288 HB THR 38 HB THR 38 -1.534 -10.502 0.562 289 HG1 THR 38 1HG THR 38 -2.089 -8.904 2.774 290 HG21 THR 38 3HG2 THR 38 -3.202 -8.014 0.982 291 HG22 THR 38 1HG2 THR 38 -2.700 -8.670 -0.576 292 HG23 THR 38 2HG2 THR 38 -1.492 -8.036 0.548 293 H GLY 39 H GLY 39 -4.796 -11.976 2.780 294 HA2 GLY 39 2HA GLY 39 -4.911 -14.378 3.030 295 HA3 GLY 39 1HA GLY 39 -3.326 -14.481 2.262 296 H GLU 40 H GLU 40 -2.756 -11.954 3.881 297 HA GLU 40 HA GLU 40 -2.260 -13.191 6.483 298 HB2 GLU 40 2HB GLU 40 -0.340 -11.475 4.895 299 HB3 GLU 40 1HB GLU 40 -0.081 -12.056 6.531 300 HG2 GLU 40 2HG GLU 40 0.022 -14.325 5.767 301 HG3 GLU 40 1HG GLU 40 -0.407 -13.830 4.131 302 H ALA 41 H ALA 41 -3.316 -12.003 7.908 303 HA ALA 41 HA ALA 41 -4.334 -9.408 7.392 304 HB1 ALA 41 1HB ALA 41 -5.005 -9.422 9.754 305 HB2 ALA 41 2HB ALA 41 -4.011 -10.853 10.032 306 HB3 ALA 41 3HB ALA 41 -5.418 -10.947 8.972 307 H GLY 42 H GLY 42 -3.227 -7.582 7.388 308 HA2 GLY 42 2HA GLY 42 -1.844 -6.094 8.823 309 HA3 GLY 42 1HA GLY 42 -0.752 -7.463 8.978 310 H TRP 43 H TRP 43 -1.377 -8.190 6.144 311 HA TRP 43 HA TRP 43 0.454 -6.265 4.952 312 HD1 TRP 43 HD TRP 43 0.830 -9.993 6.588 313 HE1 TRP 43 1HE TRP 43 3.231 -10.176 7.471 314 HE3 TRP 43 3HE TRP 43 3.155 -6.957 3.197 315 HZ2 TRP 43 2HZ TRP 43 5.793 -9.156 6.815 316 HZ3 TRP 43 3HZ TRP 43 5.582 -6.613 3.392 317 HH2 TRP 43 HH TRP 43 6.872 -7.690 5.164 318 HB2 TRP 43 2HB TRP 43 -0.144 -9.137 4.216 319 HB3 TRP 43 1HB TRP 43 0.879 -8.067 3.267 320 H TRP 44 H TRP 44 -0.318 -4.961 3.528 321 HA TRP 44 HA TRP 44 -2.945 -5.504 2.353 322 HD1 TRP 44 HD TRP 44 -3.528 -5.316 4.655 323 HE1 TRP 44 1HE TRP 44 -5.083 -4.199 6.364 324 HE3 TRP 44 3HE TRP 44 -3.147 -0.482 3.059 325 HZ2 TRP 44 2HZ TRP 44 -6.018 -1.614 6.968 326 HZ3 TRP 44 3HZ TRP 44 -4.406 1.254 4.263 327 HH2 TRP 44 HH TRP 44 -5.813 0.688 6.166 328 HB2 TRP 44 2HB TRP 44 -1.474 -2.942 2.949 329 HB3 TRP 44 1HB TRP 44 -2.850 -3.005 1.863 330 H LYS 45 H LYS 45 -3.169 -4.938 0.157 331 HA LYS 45 HA LYS 45 -0.626 -5.014 -1.294 332 HB2 LYS 45 2HB LYS 45 -2.123 -6.970 -1.660 333 HB3 LYS 45 1HB LYS 45 -3.360 -5.874 -2.261 334 HG2 LYS 45 2HG LYS 45 -1.922 -5.197 -4.073 335 HG3 LYS 45 1HG LYS 45 -0.631 -6.221 -3.456 336 HD2 LYS 45 2HD LYS 45 -2.140 -8.169 -3.759 337 HD3 LYS 45 1HD LYS 45 -3.294 -7.090 -4.543 338 HE2 LYS 45 2HE LYS 45 -1.690 -6.491 -6.226 339 HE3 LYS 45 1HE LYS 45 -0.440 -7.440 -5.429 340 HZ1 LYS 45 3HZ LYS 45 -2.891 -8.498 -6.726 341 HZ2 LYS 45 1HZ LYS 45 -1.714 -9.435 -5.930 342 HZ3 LYS 45 2HZ LYS 45 -1.308 -8.538 -7.305 343 H GLY 46 H GLY 46 -0.175 -3.371 -2.558 344 HA2 GLY 46 2HA GLY 46 -2.313 -1.511 -3.248 345 HA3 GLY 46 1HA GLY 46 -0.883 -0.901 -2.420 346 H GLU 47 H GLU 47 -1.647 0.022 -4.812 347 HA GLU 47 HA GLU 47 0.442 -1.000 -6.618 348 HB2 GLU 47 2HB GLU 47 -1.940 -1.396 -7.318 349 HB3 GLU 47 1HB GLU 47 -2.146 0.341 -7.352 350 HG2 GLU 47 2HG GLU 47 -0.213 0.377 -9.000 351 HG3 GLU 47 1HG GLU 47 -0.453 -1.362 -9.118 352 H LEU 48 H LEU 48 1.968 0.488 -6.937 353 HA LEU 48 HA LEU 48 1.250 3.340 -6.774 354 HG LEU 48 HG LEU 48 4.213 4.348 -6.777 355 HB2 LEU 48 2HB LEU 48 2.606 2.704 -4.811 356 HB3 LEU 48 1HB LEU 48 3.831 2.067 -5.890 357 HD11 LEU 48 1HD1 LEU 48 2.339 5.206 -4.579 358 HD12 LEU 48 2HD1 LEU 48 2.061 5.348 -6.318 359 HD13 LEU 48 3HD1 LEU 48 3.348 6.276 -5.553 360 HD21 LEU 48 3HD2 LEU 48 5.637 3.455 -5.018 361 HD22 LEU 48 1HD2 LEU 48 4.520 4.062 -3.795 362 HD23 LEU 48 2HD2 LEU 48 5.407 5.193 -4.819 363 H ASN 49 H ASN 49 1.406 4.191 -8.699 364 HA ASN 49 HA ASN 49 2.125 4.851 -10.723 365 HB2 ASN 49 2HB ASN 49 4.773 3.593 -9.916 366 HB3 ASN 49 1HB ASN 49 4.539 4.525 -11.380 367 HD21 ASN 49 1HD2 ASN 49 2.793 6.526 -9.981 368 HD22 ASN 49 2HD2 ASN 49 3.880 7.438 -9.015 369 H GLY 50 H GLY 50 0.995 2.202 -10.162 370 HA2 GLY 50 2HA GLY 50 0.093 0.808 -11.842 371 HA3 GLY 50 1HA GLY 50 1.534 1.081 -12.806 372 H LYS 51 H LYS 51 2.863 0.461 -9.873 373 HA LYS 51 HA LYS 51 3.106 -2.350 -10.601 374 HB2 LYS 51 2HB LYS 51 4.861 -0.613 -8.850 375 HB3 LYS 51 1HB LYS 51 5.083 -2.337 -9.047 376 HG2 LYS 51 2HG LYS 51 6.670 -1.365 -10.430 377 HG3 LYS 51 1HG LYS 51 5.399 -1.873 -11.523 378 HD2 LYS 51 2HD LYS 51 4.538 0.402 -11.671 379 HD3 LYS 51 1HD LYS 51 5.715 0.952 -10.479 380 HE2 LYS 51 2HE LYS 51 6.434 1.568 -12.719 381 HE3 LYS 51 1HE LYS 51 7.541 0.391 -12.028 382 HZ1 LYS 51 3HZ LYS 51 6.456 -1.338 -13.386 383 HZ2 LYS 51 1HZ LYS 51 7.031 -0.097 -14.356 384 HZ3 LYS 51 2HZ LYS 51 5.401 -0.203 -14.013 385 H GLU 52 H GLU 52 2.481 -3.902 -9.277 386 HA GLU 52 HA GLU 52 1.177 -3.001 -6.834 387 HB2 GLU 52 2HB GLU 52 -0.243 -5.112 -7.022 388 HB3 GLU 52 1HB GLU 52 -0.673 -3.835 -8.107 389 HG2 GLU 52 2HG GLU 52 -0.775 -5.630 -9.519 390 HG3 GLU 52 1HG GLU 52 0.915 -5.214 -9.749 391 H GLY 53 H GLY 53 1.280 -4.146 -4.956 392 HA2 GLY 53 2HA GLY 53 2.685 -6.553 -4.693 393 HA3 GLY 53 1HA GLY 53 3.749 -5.199 -4.331 394 H VAL 54 H VAL 54 3.652 -6.363 -2.230 395 HA VAL 54 HA VAL 54 1.287 -5.499 -0.709 396 HB VAL 54 HB VAL 54 1.682 -7.329 0.886 397 HG11 VAL 54 1HG1 VAL 54 0.129 -7.714 -0.925 398 HG12 VAL 54 2HG1 VAL 54 0.989 -9.205 -0.536 399 HG13 VAL 54 3HG1 VAL 54 1.439 -8.269 -1.962 400 HG21 VAL 54 3HG2 VAL 54 3.844 -8.220 -1.028 401 HG22 VAL 54 1HG2 VAL 54 3.264 -9.141 0.360 402 HG23 VAL 54 2HG2 VAL 54 4.092 -7.603 0.607 403 H PHE 55 H PHE 55 1.607 -4.903 1.472 404 HA PHE 55 HA PHE 55 4.248 -4.280 2.401 405 HD1 PHE 55 2HD PHE 55 1.564 -2.460 -0.280 406 HD2 PHE 55 1HD PHE 55 2.037 -0.848 3.632 407 HE1 PHE 55 2HE PHE 55 -0.609 -1.330 -0.477 408 HE2 PHE 55 1HE PHE 55 -0.131 0.281 3.434 409 HZ PHE 55 HZ PHE 55 -1.460 0.043 1.375 410 HB2 PHE 55 2HB PHE 55 3.900 -1.863 2.513 411 HB3 PHE 55 1HB PHE 55 3.765 -2.427 0.844 412 HA PRO 56 HA PRO 56 1.856 -4.559 6.216 413 HB2 PRO 56 2HB PRO 56 3.755 -2.790 7.571 414 HB3 PRO 56 1HB PRO 56 3.491 -4.518 7.818 415 HG2 PRO 56 2HG PRO 56 5.752 -3.563 6.689 416 HG3 PRO 56 1HG PRO 56 5.044 -5.121 6.224 417 HD2 PRO 56 2HD PRO 56 4.849 -2.466 4.845 418 HD3 PRO 56 1HD PRO 56 5.161 -4.079 4.162 419 H ASP 57 H ASP 57 0.203 -3.440 7.081 420 HA ASP 57 HA ASP 57 -0.633 -1.040 5.892 421 HB2 ASP 57 2HB ASP 57 -2.594 -1.135 7.228 422 HB3 ASP 57 1HB ASP 57 -2.153 -2.790 6.855 423 H ASN 58 H ASN 58 1.319 -1.472 8.660 424 HA ASN 58 HA ASN 58 0.589 0.956 9.978 425 HB2 ASN 58 2HB ASN 58 2.446 0.551 11.470 426 HB3 ASN 58 1HB ASN 58 1.566 -0.944 11.190 427 HD21 ASN 58 1HD2 ASN 58 4.581 0.698 10.878 428 HD22 ASN 58 2HD2 ASN 58 5.461 -0.645 10.265 429 H PHE 59 H PHE 59 2.256 0.539 7.155 430 HA PHE 59 HA PHE 59 3.896 2.903 7.650 431 HD1 PHE 59 1HD PHE 59 6.509 2.774 7.406 432 HD2 PHE 59 2HD PHE 59 4.833 -1.036 6.576 433 HE1 PHE 59 1HE PHE 59 8.260 1.729 8.751 434 HE2 PHE 59 2HE PHE 59 6.593 -2.101 7.937 435 HZ PHE 59 HZ PHE 59 8.308 -0.709 9.025 436 HB2 PHE 59 2HB PHE 59 4.038 0.843 5.462 437 HB3 PHE 59 1HB PHE 59 4.976 2.338 5.442 438 H ALA 60 H ALA 60 0.866 2.425 6.746 439 HA ALA 60 HA ALA 60 0.837 4.804 5.105 440 HB1 ALA 60 1HB ALA 60 -0.564 3.794 3.384 441 HB2 ALA 60 2HB ALA 60 -0.449 2.230 4.190 442 HB3 ALA 60 3HB ALA 60 0.989 2.959 3.474 443 H VAL 61 H VAL 61 -1.397 5.586 4.871 444 HA VAL 61 HA VAL 61 -3.267 4.468 6.822 445 HB VAL 61 HB VAL 61 -2.092 6.483 7.800 446 HG11 VAL 61 1HG1 VAL 61 -2.633 8.730 6.993 447 HG12 VAL 61 2HG1 VAL 61 -3.459 8.019 5.607 448 HG13 VAL 61 3HG1 VAL 61 -1.722 7.790 5.803 449 HG21 VAL 61 3HG2 VAL 61 -4.125 7.636 8.555 450 HG22 VAL 61 1HG2 VAL 61 -4.280 5.877 8.604 451 HG23 VAL 61 2HG2 VAL 61 -5.035 6.791 7.299 452 H GLN 62 H GLN 62 -5.451 4.580 6.068 453 HA GLN 62 HA GLN 62 -5.500 5.099 3.240 454 HB2 GLN 62 2HB GLN 62 -6.553 3.030 4.130 455 HB3 GLN 62 1HB GLN 62 -7.747 4.031 4.948 456 HG2 GLN 62 2HG GLN 62 -8.556 4.871 2.828 457 HG3 GLN 62 1HG GLN 62 -7.302 3.980 1.971 458 HE21 GLN 62 1HE2 GLN 62 -10.208 3.797 1.630 459 HE22 GLN 62 2HE2 GLN 62 -10.559 2.153 1.974 460 H ILE 63 H ILE 63 -6.498 6.684 2.245 461 HA ILE 63 HA ILE 63 -7.251 8.997 3.797 462 HB ILE 63 HB ILE 63 -7.478 8.569 0.795 463 HG12 ILE 63 2HG1 ILE 63 -5.096 9.677 2.311 464 HG13 ILE 63 1HG1 ILE 63 -5.185 8.086 1.556 465 HG21 ILE 63 1HG2 ILE 63 -7.219 11.082 2.447 466 HG22 ILE 63 2HG2 ILE 63 -8.675 10.504 1.636 467 HG23 ILE 63 3HG2 ILE 63 -7.282 11.017 0.684 468 HD11 ILE 63 3HD1 ILE 63 -5.361 10.718 0.117 469 HD12 ILE 63 1HD1 ILE 63 -5.423 9.119 -0.628 470 HD13 ILE 63 2HD1 ILE 63 -3.951 9.659 0.177 471 H SER 64 H SER 64 -8.762 7.286 1.058 472 HA SER 64 HA SER 64 -11.128 6.678 2.358 473 HG SER 64 HG SER 64 -11.105 8.930 2.787 474 HB2 SER 64 2HB SER 64 -11.018 8.786 0.179 475 HB3 SER 64 1HB SER 64 -12.474 7.948 0.709 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -9.317 -8.497 -0.309 2 H2 GLY 1 2HT GLY 1 -9.266 -8.619 -1.997 3 H3 GLY 1 3HT GLY 1 -9.584 -9.995 -1.050 4 HA2 GLY 1 1HA GLY 1 -11.630 -9.085 -2.015 5 HA3 GLY 1 2HA GLY 1 -11.612 -9.009 -0.258 6 H ALA 2 H ALA 2 -11.793 -7.126 0.722 7 HA ALA 2 HA ALA 2 -12.348 -4.944 1.059 8 HB1 ALA 2 1HB ALA 2 -10.692 -3.340 0.203 9 HB2 ALA 2 2HB ALA 2 -10.105 -4.549 -0.933 10 HB3 ALA 2 3HB ALA 2 -9.904 -4.802 0.799 11 H MET 3 H MET 3 -12.373 -2.661 -0.610 12 HA MET 3 HA MET 3 -14.162 -3.614 -2.673 13 HB2 MET 3 2HB MET 3 -15.115 -1.286 -2.846 14 HB3 MET 3 1HB MET 3 -15.434 -2.091 -1.326 15 HG2 MET 3 2HG MET 3 -13.638 -0.795 -0.296 16 HG3 MET 3 1HG MET 3 -13.380 0.022 -1.841 17 HE1 MET 3 3HE MET 3 -15.076 2.702 0.501 18 HE2 MET 3 1HE MET 3 -13.613 2.226 -0.360 19 HE3 MET 3 2HE MET 3 -14.099 1.357 1.096 20 H GLY 4 H GLY 4 -11.224 -2.534 -2.145 21 HA2 GLY 4 2HA GLY 4 -9.562 -3.068 -3.670 22 HA3 GLY 4 1HA GLY 4 -10.755 -3.063 -4.939 23 H ALA 5 H ALA 5 -10.240 -1.774 -6.384 24 HA ALA 5 HA ALA 5 -8.056 -0.176 -6.466 25 HB1 ALA 5 1HB ALA 5 -8.729 0.487 -8.646 26 HB2 ALA 5 2HB ALA 5 -10.406 0.078 -8.293 27 HB3 ALA 5 3HB ALA 5 -9.192 -1.195 -8.379 28 H LYS 6 H LYS 6 -11.192 0.940 -5.514 29 HA LYS 6 HA LYS 6 -10.084 3.610 -5.715 30 HB2 LYS 6 2HB LYS 6 -12.979 2.867 -5.507 31 HB3 LYS 6 1HB LYS 6 -12.390 4.523 -5.374 32 HG2 LYS 6 2HG LYS 6 -11.276 4.154 -7.632 33 HG3 LYS 6 1HG LYS 6 -12.244 2.686 -7.751 34 HD2 LYS 6 2HD LYS 6 -13.374 4.465 -8.914 35 HD3 LYS 6 1HD LYS 6 -14.283 4.068 -7.460 36 HE2 LYS 6 2HE LYS 6 -14.139 6.484 -7.786 37 HE3 LYS 6 1HE LYS 6 -13.323 6.015 -6.306 38 HZ1 LYS 6 3HZ LYS 6 -11.173 6.222 -7.512 39 HZ2 LYS 6 1HZ LYS 6 -12.061 7.645 -7.547 40 HZ3 LYS 6 2HZ LYS 6 -12.002 6.660 -8.903 41 H GLU 7 H GLU 7 -9.625 1.694 -3.570 42 HA GLU 7 HA GLU 7 -10.181 3.554 -1.377 43 HB2 GLU 7 2HB GLU 7 -8.965 0.772 -1.363 44 HB3 GLU 7 1HB GLU 7 -9.146 1.778 0.071 45 HG2 GLU 7 2HG GLU 7 -11.570 1.770 -0.283 46 HG3 GLU 7 1HG GLU 7 -11.343 0.695 -1.660 47 H TYR 8 H TYR 8 -8.610 4.956 -0.789 48 HA TYR 8 HA TYR 8 -5.980 4.391 -1.965 49 HD1 TYR 8 2HD TYR 8 -5.604 5.587 -4.581 50 HD2 TYR 8 1HD TYR 8 -9.195 6.973 -2.822 51 HE1 TYR 8 2HE TYR 8 -6.767 5.359 -6.762 52 HE2 TYR 8 1HE TYR 8 -10.358 6.747 -4.961 53 HH TYR 8 HH TYR 8 -8.950 5.142 -7.652 54 HB2 TYR 8 2HB TYR 8 -7.114 7.178 -1.616 55 HB3 TYR 8 1HB TYR 8 -5.614 6.726 -2.388 56 H CYS 9 H CYS 9 -4.289 4.528 -0.736 57 HA CYS 9 HA CYS 9 -4.654 5.588 1.947 58 HG CYS 9 HG CYS 9 -4.220 1.884 0.108 59 HB2 CYS 9 2HB CYS 9 -2.965 3.753 2.615 60 HB3 CYS 9 1HB CYS 9 -4.627 3.266 2.306 61 H ARG 10 H ARG 10 -2.812 6.519 2.909 62 HA ARG 10 HA ARG 10 -0.824 7.392 0.919 63 HE ARG 10 HE ARG 10 0.464 12.203 1.179 64 HB2 ARG 10 2HB ARG 10 -2.460 9.147 1.635 65 HB3 ARG 10 1HB ARG 10 -1.881 8.948 3.282 66 HG2 ARG 10 2HG ARG 10 0.366 9.639 2.545 67 HG3 ARG 10 1HG ARG 10 -0.274 9.922 0.925 68 HD2 ARG 10 2HD ARG 10 -1.906 11.515 1.925 69 HD3 ARG 10 1HD ARG 10 -1.086 11.288 3.471 70 HH11 ARG 10 1HH1 ARG 10 -0.972 12.948 4.345 71 HH12 ARG 10 2HH1 ARG 10 -0.175 14.438 4.492 72 HH21 ARG 10 1HH2 ARG 10 1.547 14.300 1.438 73 HH22 ARG 10 2HH2 ARG 10 1.274 15.173 2.873 74 H THR 11 H THR 11 1.262 7.121 1.516 75 HA THR 11 HA THR 11 1.843 5.615 3.840 76 HB THR 11 HB THR 11 4.232 6.104 3.000 77 HG1 THR 11 1HG THR 11 4.308 6.830 0.923 78 HG21 THR 11 3HG2 THR 11 3.013 3.978 2.681 79 HG22 THR 11 1HG2 THR 11 3.984 4.402 1.266 80 HG23 THR 11 2HG2 THR 11 2.241 4.678 1.256 81 H LEU 12 H LEU 12 2.701 6.236 5.702 82 HA LEU 12 HA LEU 12 3.097 9.113 6.181 83 HG LEU 12 HG LEU 12 0.598 7.347 6.968 84 HB2 LEU 12 2HB LEU 12 2.717 6.821 8.109 85 HB3 LEU 12 1HB LEU 12 2.886 8.505 8.557 86 HD11 LEU 12 1HD1 LEU 12 -0.710 7.777 9.001 87 HD12 LEU 12 2HD1 LEU 12 0.780 8.206 9.850 88 HD13 LEU 12 3HD1 LEU 12 0.551 6.568 9.230 89 HD21 LEU 12 3HD2 LEU 12 -0.455 9.539 7.345 90 HD22 LEU 12 1HD2 LEU 12 1.024 9.676 6.391 91 HD23 LEU 12 2HD2 LEU 12 1.030 10.110 8.101 92 H PHE 13 H PHE 13 4.625 6.117 5.802 93 HA PHE 13 HA PHE 13 7.208 7.228 6.553 94 HD1 PHE 13 1HD PHE 13 4.467 5.385 8.869 95 HD2 PHE 13 2HD PHE 13 8.581 6.406 9.209 96 HE1 PHE 13 1HE PHE 13 4.068 6.215 11.143 97 HE2 PHE 13 2HE PHE 13 8.190 7.234 11.488 98 HZ PHE 13 HZ PHE 13 5.930 7.142 12.460 99 HB2 PHE 13 2HB PHE 13 6.100 4.518 7.336 100 HB3 PHE 13 1HB PHE 13 7.804 4.935 7.449 101 HA PRO 14 HA PRO 14 8.141 5.280 2.634 102 HB2 PRO 14 2HB PRO 14 10.832 5.127 2.798 103 HB3 PRO 14 1HB PRO 14 10.002 6.665 2.553 104 HG2 PRO 14 2HG PRO 14 11.140 5.506 5.061 105 HG3 PRO 14 1HG PRO 14 11.203 7.177 4.473 106 HD2 PRO 14 2HD PRO 14 9.445 6.299 6.378 107 HD3 PRO 14 1HD PRO 14 9.113 7.667 5.299 108 H TYR 15 H TYR 15 9.041 3.270 1.803 109 HA TYR 15 HA TYR 15 9.763 1.241 3.743 110 HD1 TYR 15 2HD TYR 15 8.434 -0.405 5.201 111 HD2 TYR 15 1HD TYR 15 7.341 -1.270 1.194 112 HE1 TYR 15 2HE TYR 15 8.483 -2.789 5.717 113 HE2 TYR 15 1HE TYR 15 7.384 -3.672 1.699 114 HH TYR 15 HH TYR 15 8.460 -5.179 3.376 115 HB2 TYR 15 2HB TYR 15 7.268 1.274 3.654 116 HB3 TYR 15 1HB TYR 15 7.361 0.949 1.930 117 H THR 16 H THR 16 11.366 0.086 2.834 118 HA THR 16 HA THR 16 11.655 0.181 -0.070 119 HB THR 16 HB THR 16 13.689 -0.619 2.045 120 HG1 THR 16 1HG THR 16 12.879 1.664 1.908 121 HG21 THR 16 3HG2 THR 16 14.009 0.047 -0.896 122 HG22 THR 16 1HG2 THR 16 14.123 -1.566 -0.196 123 HG23 THR 16 2HG2 THR 16 15.320 -0.336 0.218 124 H GLY 17 H GLY 17 11.179 -1.602 -1.196 125 HA2 GLY 17 2HA GLY 17 10.488 -4.020 0.216 126 HA3 GLY 17 1HA GLY 17 10.326 -3.737 -1.515 127 H THR 18 H THR 18 11.660 -5.833 0.346 128 HA THR 18 HA THR 18 14.349 -5.758 -0.782 129 HB THR 18 HB THR 18 14.804 -7.680 0.745 130 HG1 THR 18 1HG THR 18 12.008 -7.423 1.302 131 HG21 THR 18 3HG2 THR 18 15.194 -5.411 1.554 132 HG22 THR 18 1HG2 THR 18 14.646 -6.452 2.868 133 HG23 THR 18 2HG2 THR 18 13.525 -5.318 2.116 134 H ASN 19 H ASN 19 11.323 -6.993 -1.219 135 HA ASN 19 HA ASN 19 12.202 -9.096 -3.085 136 HB2 ASN 19 2HB ASN 19 9.517 -8.650 -1.730 137 HB3 ASN 19 1HB ASN 19 9.839 -9.900 -2.907 138 HD21 ASN 19 1HD2 ASN 19 10.322 -8.840 0.375 139 HD22 ASN 19 2HD2 ASN 19 10.876 -10.358 0.969 140 H GLU 20 H GLU 20 10.675 -9.150 -5.046 141 HA GLU 20 HA GLU 20 10.286 -6.429 -5.961 142 HB2 GLU 20 2HB GLU 20 10.198 -9.113 -7.314 143 HB3 GLU 20 1HB GLU 20 9.534 -7.695 -8.104 144 HG2 GLU 20 2HG GLU 20 11.792 -8.177 -8.863 145 HG3 GLU 20 1HG GLU 20 11.696 -6.616 -8.059 146 H ASP 21 H ASP 21 8.510 -9.129 -4.932 147 HA ASP 21 HA ASP 21 5.886 -8.184 -5.621 148 HB2 ASP 21 2HB ASP 21 6.289 -10.552 -5.262 149 HB3 ASP 21 1HB ASP 21 6.827 -10.243 -3.618 150 H GLU 22 H GLU 22 8.051 -7.749 -3.018 151 HA GLU 22 HA GLU 22 6.214 -6.352 -1.271 152 HB2 GLU 22 2HB GLU 22 8.149 -7.729 -0.461 153 HB3 GLU 22 1HB GLU 22 9.232 -6.630 -1.289 154 HG2 GLU 22 2HG GLU 22 8.537 -4.843 0.219 155 HG3 GLU 22 1HG GLU 22 7.475 -5.982 1.055 156 H LEU 23 H LEU 23 5.734 -4.248 -1.695 157 HA LEU 23 HA LEU 23 7.102 -3.067 -3.982 158 HG LEU 23 HG LEU 23 3.786 -1.647 -4.978 159 HB2 LEU 23 2HB LEU 23 4.488 -3.367 -3.472 160 HB3 LEU 23 1HB LEU 23 4.722 -1.833 -2.694 161 HD11 LEU 23 1HD1 LEU 23 5.216 0.113 -5.812 162 HD12 LEU 23 2HD1 LEU 23 6.466 -0.365 -4.659 163 HD13 LEU 23 3HD1 LEU 23 4.918 0.250 -4.081 164 HD21 LEU 23 3HD2 LEU 23 4.926 -3.516 -6.029 165 HD22 LEU 23 1HD2 LEU 23 6.470 -2.672 -5.893 166 HD23 LEU 23 2HD2 LEU 23 5.198 -2.023 -6.923 167 H THR 24 H THR 24 8.054 -1.071 -3.958 168 HA THR 24 HA THR 24 8.925 -0.122 -1.350 169 HB THR 24 HB THR 24 9.888 0.508 -4.148 170 HG1 THR 24 1HG THR 24 10.400 -1.566 -3.406 171 HG21 THR 24 3HG2 THR 24 11.801 1.642 -3.034 172 HG22 THR 24 1HG2 THR 24 11.014 1.412 -1.474 173 HG23 THR 24 2HG2 THR 24 10.272 2.443 -2.693 174 H PHE 25 H PHE 25 8.230 1.729 -0.509 175 HA PHE 25 HA PHE 25 6.702 3.568 -2.192 176 HD1 PHE 25 2HD PHE 25 3.848 3.497 -2.250 177 HD2 PHE 25 1HD PHE 25 5.429 0.349 0.092 178 HE1 PHE 25 2HE PHE 25 2.259 1.936 -3.297 179 HE2 PHE 25 1HE PHE 25 3.844 -1.215 -0.947 180 HZ PHE 25 HZ PHE 25 2.259 -0.426 -2.637 181 HB2 PHE 25 2HB PHE 25 5.960 2.623 0.584 182 HB3 PHE 25 1HB PHE 25 5.189 3.946 -0.280 183 H ARG 26 H ARG 26 6.958 5.670 -1.680 184 HA ARG 26 HA ARG 26 8.844 6.293 0.457 185 HE ARG 26 HE ARG 26 12.174 6.007 -2.459 186 HB2 ARG 26 2HB ARG 26 8.012 7.903 -1.965 187 HB3 ARG 26 1HB ARG 26 9.016 8.548 -0.678 188 HG2 ARG 26 2HG ARG 26 9.717 6.192 -2.426 189 HG3 ARG 26 1HG ARG 26 10.357 7.828 -2.590 190 HD2 ARG 26 2HD ARG 26 11.391 7.681 -0.401 191 HD3 ARG 26 1HD ARG 26 10.676 6.098 -0.126 192 HH11 ARG 26 1HH1 ARG 26 12.703 6.365 1.017 193 HH12 ARG 26 2HH1 ARG 26 14.233 5.613 1.001 194 HH21 ARG 26 1HH2 ARG 26 14.256 4.995 -2.485 195 HH22 ARG 26 2HH2 ARG 26 15.147 4.812 -1.043 196 H GLU 27 H GLU 27 8.297 8.537 1.408 197 HA GLU 27 HA GLU 27 5.790 8.130 2.733 198 HB2 GLU 27 2HB GLU 27 7.865 8.815 3.832 199 HB3 GLU 27 1HB GLU 27 7.827 10.326 2.936 200 HG2 GLU 27 2HG GLU 27 5.688 10.850 4.041 201 HG3 GLU 27 1HG GLU 27 5.878 9.388 5.012 202 H GLY 28 H GLY 28 3.907 9.219 2.379 203 HA2 GLY 28 2HA GLY 28 2.573 11.030 1.826 204 HA3 GLY 28 1HA GLY 28 3.953 11.790 1.057 205 H GLU 29 H GLU 29 3.358 8.545 0.178 206 HA GLU 29 HA GLU 29 2.598 9.435 -2.500 207 HB2 GLU 29 2HB GLU 29 3.355 6.689 -1.470 208 HB3 GLU 29 1HB GLU 29 3.033 7.095 -3.144 209 HG2 GLU 29 2HG GLU 29 5.286 8.223 -1.497 210 HG3 GLU 29 1HG GLU 29 5.427 6.875 -2.616 211 H ILE 30 H ILE 30 0.712 8.693 -3.494 212 HA ILE 30 HA ILE 30 -1.316 7.680 -1.662 213 HB ILE 30 HB ILE 30 -1.575 8.984 -4.392 214 HG12 ILE 30 2HG1 ILE 30 -1.003 10.529 -2.560 215 HG13 ILE 30 1HG1 ILE 30 -2.617 10.851 -3.194 216 HG21 ILE 30 1HG2 ILE 30 -3.324 7.313 -4.141 217 HG22 ILE 30 2HG2 ILE 30 -4.013 8.934 -4.050 218 HG23 ILE 30 3HG2 ILE 30 -3.775 7.994 -2.577 219 HD11 ILE 30 3HD1 ILE 30 -3.574 9.682 -1.261 220 HD12 ILE 30 1HD1 ILE 30 -2.555 11.034 -0.772 221 HD13 ILE 30 2HD1 ILE 30 -1.951 9.388 -0.641 222 H ILE 31 H ILE 31 -1.773 5.671 -1.732 223 HA ILE 31 HA ILE 31 -0.700 4.009 -3.891 224 HB ILE 31 HB ILE 31 -1.802 3.197 -1.191 225 HG12 ILE 31 2HG1 ILE 31 1.098 3.521 -1.990 226 HG13 ILE 31 1HG1 ILE 31 0.204 4.653 -0.977 227 HG21 ILE 31 1HG2 ILE 31 -1.832 1.410 -2.846 228 HG22 ILE 31 2HG2 ILE 31 -0.614 1.085 -1.610 229 HG23 ILE 31 3HG2 ILE 31 -0.127 1.684 -3.197 230 HD11 ILE 31 3HD1 ILE 31 1.653 3.089 0.281 231 HD12 ILE 31 1HD1 ILE 31 0.675 1.760 -0.314 232 HD13 ILE 31 2HD1 ILE 31 -0.049 2.977 0.743 233 H HIS 32 H HIS 32 -2.062 2.915 -5.202 234 HA HIS 32 HA HIS 32 -4.936 3.237 -4.818 235 HD1 HIS 32 1HD HIS 32 -2.565 2.983 -9.004 236 HD2 HIS 32 2HD HIS 32 -4.677 5.427 -6.385 237 HE1 HIS 32 1HE HIS 32 -2.251 5.311 -9.821 238 HB2 HIS 32 2HB HIS 32 -3.477 1.731 -7.018 239 HB3 HIS 32 1HB HIS 32 -5.152 2.248 -7.026 240 H LEU 33 H LEU 33 -5.750 1.812 -3.415 241 HA LEU 33 HA LEU 33 -4.283 -0.484 -2.660 242 HG LEU 33 HG LEU 33 -5.270 -1.509 -0.473 243 HB2 LEU 33 2HB LEU 33 -5.627 0.968 -1.159 244 HB3 LEU 33 1HB LEU 33 -7.067 0.402 -1.956 245 HD11 LEU 33 1HD1 LEU 33 -6.663 -1.091 1.490 246 HD12 LEU 33 2HD1 LEU 33 -7.541 0.159 0.613 247 HD13 LEU 33 3HD1 LEU 33 -5.836 0.385 1.001 248 HD21 LEU 33 3HD2 LEU 33 -7.232 -2.834 -0.318 249 HD22 LEU 33 1HD2 LEU 33 -7.108 -2.320 -1.983 250 HD23 LEU 33 2HD2 LEU 33 -8.270 -1.528 -0.905 251 H ILE 34 H ILE 34 -4.648 -2.571 -3.065 252 HA ILE 34 HA ILE 34 -6.538 -3.210 -5.227 253 HB ILE 34 HB ILE 34 -4.078 -4.746 -4.336 254 HG12 ILE 34 2HG1 ILE 34 -3.413 -2.642 -5.390 255 HG13 ILE 34 1HG1 ILE 34 -3.028 -3.999 -6.440 256 HG21 ILE 34 1HG2 ILE 34 -4.367 -6.038 -6.399 257 HG22 ILE 34 2HG2 ILE 34 -5.870 -5.172 -6.725 258 HG23 ILE 34 3HG2 ILE 34 -5.744 -6.214 -5.308 259 HD11 ILE 34 3HD1 ILE 34 -3.899 -2.143 -7.712 260 HD12 ILE 34 1HD1 ILE 34 -5.368 -2.127 -6.731 261 HD13 ILE 34 2HD1 ILE 34 -5.017 -3.506 -7.774 262 H SER 35 H SER 35 -5.217 -4.358 -2.111 263 HA SER 35 HA SER 35 -7.751 -5.525 -1.440 264 HG SER 35 HG SER 35 -6.461 -8.772 -0.691 265 HB2 SER 35 2HB SER 35 -6.666 -7.324 -2.812 266 HB3 SER 35 1HB SER 35 -5.311 -7.311 -1.691 267 H LYS 36 H LYS 36 -7.971 -5.762 0.814 268 HA LYS 36 HA LYS 36 -5.725 -4.872 2.428 269 HB2 LYS 36 2HB LYS 36 -8.720 -4.901 2.864 270 HB3 LYS 36 1HB LYS 36 -7.578 -4.552 4.161 271 HG2 LYS 36 2HG LYS 36 -6.767 -2.644 3.080 272 HG3 LYS 36 1HG LYS 36 -7.564 -2.999 1.577 273 HD2 LYS 36 2HD LYS 36 -8.665 -1.199 2.693 274 HD3 LYS 36 1HD LYS 36 -9.736 -2.610 2.707 275 HE2 LYS 36 2HE LYS 36 -9.377 -2.972 4.953 276 HE3 LYS 36 1HE LYS 36 -7.903 -1.998 4.951 277 HZ1 LYS 36 3HZ LYS 36 -9.287 -0.027 4.584 278 HZ2 LYS 36 1HZ LYS 36 -9.767 -0.770 6.017 279 HZ3 LYS 36 2HZ LYS 36 -10.693 -0.938 4.618 280 H GLU 37 H GLU 37 -7.012 -7.586 1.299 281 HA GLU 37 HA GLU 37 -6.266 -9.138 3.661 282 HB2 GLU 37 2HB GLU 37 -8.113 -10.071 1.452 283 HB3 GLU 37 1HB GLU 37 -7.796 -10.876 2.975 284 HG2 GLU 37 2HG GLU 37 -9.806 -9.989 3.467 285 HG3 GLU 37 1HG GLU 37 -8.811 -8.610 3.926 286 H THR 38 H THR 38 -4.346 -10.036 3.318 287 HA THR 38 HA THR 38 -3.672 -10.988 0.601 288 HB THR 38 HB THR 38 -1.284 -10.592 1.357 289 HG1 THR 38 1HG THR 38 -2.166 -8.695 3.189 290 HG21 THR 38 3HG2 THR 38 -3.096 -8.169 1.143 291 HG22 THR 38 1HG2 THR 38 -2.398 -9.050 -0.215 292 HG23 THR 38 2HG2 THR 38 -1.351 -8.160 0.890 293 H GLY 39 H GLY 39 -4.642 -11.960 3.480 294 HA2 GLY 39 2HA GLY 39 -4.581 -14.229 4.206 295 HA3 GLY 39 1HA GLY 39 -2.960 -14.371 3.519 296 H GLU 40 H GLU 40 -2.439 -11.623 4.561 297 HA GLU 40 HA GLU 40 -1.831 -12.361 7.325 298 HB2 GLU 40 2HB GLU 40 -0.364 -10.550 5.413 299 HB3 GLU 40 1HB GLU 40 0.084 -10.815 7.089 300 HG2 GLU 40 2HG GLU 40 0.458 -13.197 6.569 301 HG3 GLU 40 1HG GLU 40 0.071 -12.863 4.883 302 H ALA 41 H ALA 41 -2.463 -10.951 8.873 303 HA ALA 41 HA ALA 41 -4.195 -8.773 8.057 304 HB1 ALA 41 1HB ALA 41 -3.521 -9.815 10.810 305 HB2 ALA 41 2HB ALA 41 -4.966 -10.217 9.872 306 HB3 ALA 41 3HB ALA 41 -4.717 -8.572 10.455 307 H GLY 42 H GLY 42 -3.045 -7.125 7.391 308 HA2 GLY 42 2HA GLY 42 -1.932 -5.152 8.558 309 HA3 GLY 42 1HA GLY 42 -0.713 -6.349 8.981 310 H TRP 43 H TRP 43 -1.446 -7.565 6.230 311 HA TRP 43 HA TRP 43 0.298 -5.745 4.785 312 HD1 TRP 43 HD TRP 43 1.228 -8.565 7.045 313 HE1 TRP 43 1HE TRP 43 3.749 -8.430 7.547 314 HE3 TRP 43 3HE TRP 43 2.881 -7.011 2.469 315 HZ2 TRP 43 2HZ TRP 43 6.126 -7.754 6.177 316 HZ3 TRP 43 3HZ TRP 43 5.289 -6.647 2.146 317 HH2 TRP 43 HH TRP 43 6.874 -7.014 3.957 318 HB2 TRP 43 2HB TRP 43 -0.049 -8.725 4.545 319 HB3 TRP 43 1HB TRP 43 0.717 -7.772 3.283 320 H TRP 44 H TRP 44 -0.404 -4.734 3.168 321 HA TRP 44 HA TRP 44 -2.989 -5.483 2.003 322 HD1 TRP 44 HD TRP 44 -3.807 -5.173 4.117 323 HE1 TRP 44 1HE TRP 44 -5.433 -4.001 5.716 324 HE3 TRP 44 3HE TRP 44 -3.313 -0.388 2.416 325 HZ2 TRP 44 2HZ TRP 44 -6.353 -1.425 6.208 326 HZ3 TRP 44 3HZ TRP 44 -4.617 1.375 3.519 327 HH2 TRP 44 HH TRP 44 -6.122 0.839 5.375 328 HB2 TRP 44 2HB TRP 44 -1.689 -2.798 2.408 329 HB3 TRP 44 1HB TRP 44 -3.016 -3.045 1.289 330 H LYS 45 H LYS 45 -3.176 -4.821 -0.236 331 HA LYS 45 HA LYS 45 -0.598 -4.934 -1.621 332 HB2 LYS 45 2HB LYS 45 -1.965 -7.007 -1.940 333 HB3 LYS 45 1HB LYS 45 -3.270 -6.015 -2.567 334 HG2 LYS 45 2HG LYS 45 -1.932 -5.375 -4.475 335 HG3 LYS 45 1HG LYS 45 -0.538 -6.223 -3.808 336 HD2 LYS 45 2HD LYS 45 -1.767 -8.341 -3.960 337 HD3 LYS 45 1HD LYS 45 -3.143 -7.484 -4.654 338 HE2 LYS 45 2HE LYS 45 -1.883 -6.875 -6.589 339 HE3 LYS 45 1HE LYS 45 -0.389 -7.474 -5.884 340 HZ1 LYS 45 3HZ LYS 45 -1.210 -9.086 -7.435 341 HZ2 LYS 45 1HZ LYS 45 -2.740 -9.112 -6.688 342 HZ3 LYS 45 2HZ LYS 45 -1.411 -9.694 -5.874 343 H GLY 46 H GLY 46 -0.237 -3.284 -2.938 344 HA2 GLY 46 2HA GLY 46 -2.467 -1.591 -3.728 345 HA3 GLY 46 1HA GLY 46 -1.184 -0.871 -2.763 346 H GLU 47 H GLU 47 -1.899 -0.086 -5.322 347 HA GLU 47 HA GLU 47 0.426 -0.894 -6.896 348 HB2 GLU 47 2HB GLU 47 -1.737 -1.480 -7.914 349 HB3 GLU 47 1HB GLU 47 -2.270 0.174 -7.774 350 HG2 GLU 47 2HG GLU 47 0.113 -0.570 -9.448 351 HG3 GLU 47 1HG GLU 47 -1.523 -0.713 -10.069 352 H LEU 48 H LEU 48 1.873 0.522 -7.338 353 HA LEU 48 HA LEU 48 1.231 3.337 -7.403 354 HG LEU 48 HG LEU 48 4.026 4.457 -6.823 355 HB2 LEU 48 2HB LEU 48 2.064 2.939 -5.110 356 HB3 LEU 48 1HB LEU 48 3.536 2.243 -5.769 357 HD11 LEU 48 1HD1 LEU 48 1.687 5.367 -5.162 358 HD12 LEU 48 2HD1 LEU 48 1.791 5.363 -6.926 359 HD13 LEU 48 3HD1 LEU 48 2.837 6.420 -5.980 360 HD21 LEU 48 3HD2 LEU 48 3.653 4.567 -3.852 361 HD22 LEU 48 1HD2 LEU 48 4.786 5.518 -4.796 362 HD23 LEU 48 2HD2 LEU 48 5.012 3.767 -4.651 363 H ASN 49 H ASN 49 2.176 4.255 -9.078 364 HA ASN 49 HA ASN 49 3.522 4.738 -10.825 365 HB2 ASN 49 2HB ASN 49 5.491 2.774 -9.612 366 HB3 ASN 49 1HB ASN 49 5.840 3.854 -10.951 367 HD21 ASN 49 1HD2 ASN 49 7.193 3.686 -8.488 368 HD22 ASN 49 2HD2 ASN 49 7.051 5.206 -7.679 369 H GLY 50 H GLY 50 1.739 2.207 -10.611 370 HA2 GLY 50 2HA GLY 50 0.928 1.060 -12.453 371 HA3 GLY 50 1HA GLY 50 2.480 1.254 -13.255 372 H LYS 51 H LYS 51 2.893 0.357 -10.031 373 HA LYS 51 HA LYS 51 2.967 -2.469 -10.769 374 HB2 LYS 51 2HB LYS 51 5.023 -0.976 -9.139 375 HB3 LYS 51 1HB LYS 51 4.876 -2.725 -9.137 376 HG2 LYS 51 2HG LYS 51 6.590 -2.309 -10.615 377 HG3 LYS 51 1HG LYS 51 5.196 -2.574 -11.649 378 HD2 LYS 51 2HD LYS 51 4.893 -0.114 -11.826 379 HD3 LYS 51 1HD LYS 51 6.389 0.100 -10.913 380 HE2 LYS 51 2HE LYS 51 6.838 0.298 -13.283 381 HE3 LYS 51 1HE LYS 51 7.598 -1.157 -12.638 382 HZ1 LYS 51 3HZ LYS 51 5.078 -1.044 -14.232 383 HZ2 LYS 51 1HZ LYS 51 5.718 -2.460 -13.535 384 HZ3 LYS 51 2HZ LYS 51 6.570 -1.635 -14.702 385 H GLU 52 H GLU 52 1.890 -3.725 -9.571 386 HA GLU 52 HA GLU 52 0.929 -2.737 -7.014 387 HB2 GLU 52 2HB GLU 52 -0.786 -4.539 -7.136 388 HB3 GLU 52 1HB GLU 52 -0.908 -3.392 -8.450 389 HG2 GLU 52 2HG GLU 52 0.414 -6.089 -8.711 390 HG3 GLU 52 1HG GLU 52 -1.290 -5.803 -9.042 391 H GLY 53 H GLY 53 1.601 -3.479 -5.212 392 HA2 GLY 53 2HA GLY 53 2.764 -6.129 -5.062 393 HA3 GLY 53 1HA GLY 53 3.802 -4.782 -4.631 394 H VAL 54 H VAL 54 3.699 -6.079 -2.557 395 HA VAL 54 HA VAL 54 1.324 -5.252 -1.044 396 HB VAL 54 HB VAL 54 1.731 -7.145 0.484 397 HG11 VAL 54 1HG1 VAL 54 1.002 -8.935 -1.017 398 HG12 VAL 54 2HG1 VAL 54 1.459 -7.949 -2.404 399 HG13 VAL 54 3HG1 VAL 54 0.151 -7.422 -1.342 400 HG21 VAL 54 3HG2 VAL 54 3.852 -7.925 -1.511 401 HG22 VAL 54 1HG2 VAL 54 3.277 -8.925 -0.178 402 HG23 VAL 54 2HG2 VAL 54 4.122 -7.415 0.158 403 H PHE 55 H PHE 55 1.637 -4.810 1.205 404 HA PHE 55 HA PHE 55 4.252 -4.117 2.161 405 HD1 PHE 55 2HD PHE 55 1.469 -2.474 -0.443 406 HD2 PHE 55 1HD PHE 55 2.061 -0.590 3.332 407 HE1 PHE 55 2HE PHE 55 -0.725 -1.393 -0.638 408 HE2 PHE 55 1HE PHE 55 -0.137 0.494 3.135 409 HZ PHE 55 HZ PHE 55 -1.531 0.092 1.145 410 HB2 PHE 55 2HB PHE 55 3.894 -1.706 2.260 411 HB3 PHE 55 1HB PHE 55 3.738 -2.296 0.606 412 HA PRO 56 HA PRO 56 1.751 -4.325 5.925 413 HB2 PRO 56 2HB PRO 56 3.678 -2.648 7.337 414 HB3 PRO 56 1HB PRO 56 3.371 -4.371 7.548 415 HG2 PRO 56 2HG PRO 56 5.678 -3.430 6.479 416 HG3 PRO 56 1HG PRO 56 4.971 -4.988 6.020 417 HD2 PRO 56 2HD PRO 56 4.833 -2.354 4.603 418 HD3 PRO 56 1HD PRO 56 5.130 -3.981 3.945 419 H ASP 57 H ASP 57 0.062 -3.111 6.438 420 HA ASP 57 HA ASP 57 -0.314 -0.556 5.261 421 HB2 ASP 57 2HB ASP 57 -2.516 -0.566 6.101 422 HB3 ASP 57 1HB ASP 57 -2.138 -2.254 5.795 423 H ASN 58 H ASN 58 1.017 -1.458 8.234 424 HA ASN 58 HA ASN 58 0.358 0.848 9.701 425 HB2 ASN 58 2HB ASN 58 2.253 0.223 11.243 426 HB3 ASN 58 1HB ASN 58 1.043 -1.024 11.000 427 HD21 ASN 58 1HD2 ASN 58 2.477 -2.608 11.675 428 HD22 ASN 58 2HD2 ASN 58 3.779 -3.160 10.692 429 H PHE 59 H PHE 59 2.510 0.541 7.125 430 HA PHE 59 HA PHE 59 4.044 2.886 7.894 431 HD1 PHE 59 1HD PHE 59 4.617 -0.754 6.736 432 HD2 PHE 59 2HD PHE 59 6.970 2.776 6.826 433 HE1 PHE 59 1HE PHE 59 6.448 -2.000 7.795 434 HE2 PHE 59 2HE PHE 59 8.801 1.541 7.880 435 HZ PHE 59 HZ PHE 59 8.543 -0.858 8.369 436 HB2 PHE 59 2HB PHE 59 4.044 1.197 5.391 437 HB3 PHE 59 1HB PHE 59 4.976 2.682 5.520 438 H ALA 60 H ALA 60 0.983 2.473 6.856 439 HA ALA 60 HA ALA 60 0.926 5.062 5.533 440 HB1 ALA 60 1HB ALA 60 -0.563 4.179 3.806 441 HB2 ALA 60 2HB ALA 60 -0.404 2.559 4.478 442 HB3 ALA 60 3HB ALA 60 0.995 3.353 3.759 443 H VAL 61 H VAL 61 -1.458 5.631 5.216 444 HA VAL 61 HA VAL 61 -3.214 4.432 7.187 445 HB VAL 61 HB VAL 61 -2.300 6.513 8.220 446 HG11 VAL 61 1HG1 VAL 61 -3.521 7.963 5.876 447 HG12 VAL 61 2HG1 VAL 61 -1.802 7.811 6.237 448 HG13 VAL 61 3HG1 VAL 61 -2.851 8.727 7.319 449 HG21 VAL 61 3HG2 VAL 61 -4.444 7.598 8.773 450 HG22 VAL 61 1HG2 VAL 61 -4.546 5.839 8.827 451 HG23 VAL 61 2HG2 VAL 61 -5.210 6.717 7.451 452 H GLN 62 H GLN 62 -5.276 4.161 6.340 453 HA GLN 62 HA GLN 62 -5.495 4.794 3.547 454 HB2 GLN 62 2HB GLN 62 -6.319 2.629 4.508 455 HB3 GLN 62 1HB GLN 62 -7.608 3.531 5.303 456 HG2 GLN 62 2HG GLN 62 -8.439 4.267 3.131 457 HG3 GLN 62 1HG GLN 62 -7.126 3.415 2.329 458 HE21 GLN 62 1HE2 GLN 62 -9.968 3.080 1.952 459 HE22 GLN 62 2HE2 GLN 62 -10.268 1.429 2.286 460 H ILE 63 H ILE 63 -6.567 6.423 2.690 461 HA ILE 63 HA ILE 63 -7.504 8.484 4.458 462 HB ILE 63 HB ILE 63 -7.678 8.325 1.425 463 HG12 ILE 63 2HG1 ILE 63 -5.337 8.086 2.093 464 HG13 ILE 63 1HG1 ILE 63 -5.600 9.644 1.330 465 HG21 ILE 63 1HG2 ILE 63 -7.750 10.709 3.262 466 HG22 ILE 63 2HG2 ILE 63 -9.124 10.009 2.411 467 HG23 ILE 63 3HG2 ILE 63 -7.813 10.762 1.499 468 HD11 ILE 63 3HD1 ILE 63 -5.636 10.697 3.563 469 HD12 ILE 63 1HD1 ILE 63 -4.116 9.862 3.232 470 HD13 ILE 63 2HD1 ILE 63 -5.317 9.119 4.283 471 H SER 64 H SER 64 -8.964 6.947 1.586 472 HA SER 64 HA SER 64 -11.240 6.106 3.017 473 HG SER 64 HG SER 64 -11.371 8.457 3.376 474 HB2 SER 64 2HB SER 64 -11.404 8.014 0.666 475 HB3 SER 64 1HB SER 64 -12.732 7.258 1.535 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -14.243 -12.138 1.548 2 H2 GLY 1 2HT GLY 1 -14.802 -10.541 1.377 3 H3 GLY 1 3HT GLY 1 -14.056 -11.012 2.819 4 HA2 GLY 1 1HA GLY 1 -11.984 -11.286 1.701 5 HA3 GLY 1 2HA GLY 1 -12.769 -10.842 0.188 6 H ALA 2 H ALA 2 -10.778 -9.300 0.703 7 HA ALA 2 HA ALA 2 -12.084 -6.864 1.579 8 HB1 ALA 2 1HB ALA 2 -9.306 -7.615 2.503 9 HB2 ALA 2 2HB ALA 2 -10.758 -7.666 3.502 10 HB3 ALA 2 3HB ALA 2 -10.176 -6.124 2.879 11 H MET 3 H MET 3 -12.271 -6.532 -0.646 12 HA MET 3 HA MET 3 -9.788 -5.969 -2.084 13 HB2 MET 3 2HB MET 3 -12.618 -6.295 -3.099 14 HB3 MET 3 1HB MET 3 -11.238 -5.877 -4.099 15 HG2 MET 3 2HG MET 3 -11.592 -8.430 -2.551 16 HG3 MET 3 1HG MET 3 -11.793 -8.231 -4.292 17 HE1 MET 3 3HE MET 3 -8.509 -10.344 -4.028 18 HE2 MET 3 1HE MET 3 -10.128 -10.248 -4.725 19 HE3 MET 3 2HE MET 3 -9.926 -10.455 -2.985 20 H GLY 4 H GLY 4 -9.578 -3.984 -3.221 21 HA2 GLY 4 2HA GLY 4 -11.356 -1.898 -2.201 22 HA3 GLY 4 1HA GLY 4 -9.610 -1.720 -2.161 23 H ALA 5 H ALA 5 -11.716 -0.202 -3.466 24 HA ALA 5 HA ALA 5 -10.487 -0.120 -6.117 25 HB1 ALA 5 1HB ALA 5 -13.417 0.351 -5.527 26 HB2 ALA 5 2HB ALA 5 -12.751 -1.079 -6.310 27 HB3 ALA 5 3HB ALA 5 -12.638 0.490 -7.107 28 H LYS 6 H LYS 6 -12.557 1.617 -3.900 29 HA LYS 6 HA LYS 6 -11.315 4.167 -4.668 30 HB2 LYS 6 2HB LYS 6 -13.016 5.241 -3.225 31 HB3 LYS 6 1HB LYS 6 -13.741 4.238 -4.459 32 HG2 LYS 6 2HG LYS 6 -14.660 2.812 -2.963 33 HG3 LYS 6 1HG LYS 6 -13.261 2.871 -1.893 34 HD2 LYS 6 2HD LYS 6 -15.263 5.121 -2.142 35 HD3 LYS 6 1HD LYS 6 -15.390 3.840 -0.936 36 HE2 LYS 6 2HE LYS 6 -13.004 5.682 -1.232 37 HE3 LYS 6 1HE LYS 6 -14.300 5.916 -0.075 38 HZ1 LYS 6 3HZ LYS 6 -13.683 4.031 1.105 39 HZ2 LYS 6 1HZ LYS 6 -12.215 4.753 0.764 40 HZ3 LYS 6 2HZ LYS 6 -12.723 3.376 -0.084 41 H GLU 7 H GLU 7 -10.141 2.026 -3.059 42 HA GLU 7 HA GLU 7 -9.842 3.267 -0.435 43 HB2 GLU 7 2HB GLU 7 -8.633 0.705 -1.467 44 HB3 GLU 7 1HB GLU 7 -8.722 1.217 0.220 45 HG2 GLU 7 2HG GLU 7 -10.991 0.390 -1.583 46 HG3 GLU 7 1HG GLU 7 -10.296 -0.556 -0.277 47 H TYR 8 H TYR 8 -8.387 4.911 -0.474 48 HA TYR 8 HA TYR 8 -5.823 4.388 -1.829 49 HD1 TYR 8 1HD TYR 8 -5.905 5.364 -4.444 50 HD2 TYR 8 2HD TYR 8 -9.097 7.285 -2.396 51 HE1 TYR 8 1HE TYR 8 -7.277 5.242 -6.474 52 HE2 TYR 8 2HE TYR 8 -10.481 7.167 -4.424 53 HH TYR 8 HH TYR 8 -10.156 6.975 -6.861 54 HB2 TYR 8 2HB TYR 8 -6.938 7.168 -1.373 55 HB3 TYR 8 1HB TYR 8 -5.562 6.695 -2.322 56 H CYS 9 H CYS 9 -4.036 4.744 -0.653 57 HA CYS 9 HA CYS 9 -4.423 5.843 2.025 58 HG CYS 9 HG CYS 9 -2.487 1.660 1.420 59 HB2 CYS 9 2HB CYS 9 -2.661 4.186 2.774 60 HB3 CYS 9 1HB CYS 9 -4.226 3.502 2.360 61 H ARG 10 H ARG 10 -2.832 7.154 2.815 62 HA ARG 10 HA ARG 10 -0.819 7.981 0.842 63 HE ARG 10 HE ARG 10 0.634 11.216 4.132 64 HB2 ARG 10 2HB ARG 10 -2.404 9.719 1.946 65 HB3 ARG 10 1HB ARG 10 -1.487 9.425 3.415 66 HG2 ARG 10 2HG ARG 10 0.589 10.048 2.154 67 HG3 ARG 10 1HG ARG 10 -0.441 10.537 0.814 68 HD2 ARG 10 2HD ARG 10 0.018 12.509 2.011 69 HD3 ARG 10 1HD ARG 10 -1.618 12.049 2.483 70 HH11 ARG 10 1HH1 ARG 10 -2.228 13.263 3.822 71 HH12 ARG 10 2HH1 ARG 10 -2.238 13.728 5.457 72 HH21 ARG 10 1HH2 ARG 10 0.624 11.848 6.333 73 HH22 ARG 10 2HH2 ARG 10 -0.601 12.870 6.941 74 H THR 11 H THR 11 1.282 7.705 1.336 75 HA THR 11 HA THR 11 1.832 5.892 3.448 76 HB THR 11 HB THR 11 4.141 5.939 2.523 77 HG1 THR 11 1HG THR 11 4.593 7.257 0.877 78 HG21 THR 11 3HG2 THR 11 3.530 5.017 0.343 79 HG22 THR 11 1HG2 THR 11 1.927 5.729 0.487 80 HG23 THR 11 2HG2 THR 11 2.425 4.452 1.597 81 H LEU 12 H LEU 12 2.652 6.258 5.370 82 HA LEU 12 HA LEU 12 3.122 9.036 6.209 83 HG LEU 12 HG LEU 12 0.557 7.335 6.754 84 HB2 LEU 12 2HB LEU 12 2.649 6.519 7.791 85 HB3 LEU 12 1HB LEU 12 2.906 8.101 8.486 86 HD11 LEU 12 1HD1 LEU 12 0.846 7.649 9.729 87 HD12 LEU 12 2HD1 LEU 12 0.455 6.165 8.855 88 HD13 LEU 12 3HD1 LEU 12 -0.687 7.514 8.884 89 HD21 LEU 12 3HD2 LEU 12 1.150 9.825 8.359 90 HD22 LEU 12 1HD2 LEU 12 -0.376 9.464 7.552 91 HD23 LEU 12 2HD2 LEU 12 1.080 9.698 6.600 92 H PHE 13 H PHE 13 4.684 6.090 5.544 93 HA PHE 13 HA PHE 13 7.209 7.122 6.559 94 HD1 PHE 13 1HD PHE 13 4.268 4.986 8.496 95 HD2 PHE 13 2HD PHE 13 8.245 6.216 9.365 96 HE1 PHE 13 1HE PHE 13 3.580 5.585 10.777 97 HE2 PHE 13 2HE PHE 13 7.556 6.820 11.647 98 HZ PHE 13 HZ PHE 13 5.222 6.507 12.354 99 HB2 PHE 13 2HB PHE 13 6.114 4.341 7.087 100 HB3 PHE 13 1HB PHE 13 7.766 4.841 7.419 101 HA PRO 14 HA PRO 14 8.284 5.357 2.580 102 HB2 PRO 14 2HB PRO 14 10.998 5.393 2.839 103 HB3 PRO 14 1HB PRO 14 10.065 6.853 2.496 104 HG2 PRO 14 2HG PRO 14 11.209 5.902 5.082 105 HG3 PRO 14 1HG PRO 14 11.122 7.547 4.435 106 HD2 PRO 14 2HD PRO 14 9.397 6.565 6.322 107 HD3 PRO 14 1HD PRO 14 8.975 7.852 5.181 108 H TYR 15 H TYR 15 8.729 3.289 1.892 109 HA TYR 15 HA TYR 15 9.851 1.420 3.813 110 HD1 TYR 15 2HD TYR 15 8.716 -0.502 5.410 111 HD2 TYR 15 1HD TYR 15 7.294 -1.142 1.459 112 HE1 TYR 15 2HE TYR 15 8.921 -2.927 5.735 113 HE2 TYR 15 1HE TYR 15 7.495 -3.565 1.775 114 HH TYR 15 HH TYR 15 8.821 -5.086 3.187 115 HB2 TYR 15 2HB TYR 15 7.434 1.255 4.113 116 HB3 TYR 15 1HB TYR 15 7.220 1.022 2.383 117 H THR 16 H THR 16 11.245 0.126 2.912 118 HA THR 16 HA THR 16 11.459 0.178 0.016 119 HB THR 16 HB THR 16 13.499 -0.725 2.064 120 HG1 THR 16 1HG THR 16 12.826 1.513 2.174 121 HG21 THR 16 3HG2 THR 16 15.085 -0.417 0.204 122 HG22 THR 16 1HG2 THR 16 13.761 0.065 -0.853 123 HG23 THR 16 2HG2 THR 16 13.840 -1.586 -0.238 124 H GLY 17 H GLY 17 10.661 -1.541 -1.033 125 HA2 GLY 17 2HA GLY 17 9.912 -3.915 0.305 126 HA3 GLY 17 1HA GLY 17 9.915 -3.649 -1.440 127 H THR 18 H THR 18 11.078 -5.615 0.751 128 HA THR 18 HA THR 18 13.851 -5.693 -0.042 129 HB THR 18 HB THR 18 13.898 -7.745 1.446 130 HG1 THR 18 1HG THR 18 11.165 -6.998 1.985 131 HG21 THR 18 3HG2 THR 18 14.413 -5.504 2.319 132 HG22 THR 18 1HG2 THR 18 13.606 -6.493 3.538 133 HG23 THR 18 2HG2 THR 18 12.704 -5.258 2.664 134 H ASN 19 H ASN 19 10.924 -6.894 -0.911 135 HA ASN 19 HA ASN 19 12.003 -8.848 -2.824 136 HB2 ASN 19 2HB ASN 19 9.295 -8.564 -1.512 137 HB3 ASN 19 1HB ASN 19 9.610 -9.679 -2.814 138 HD21 ASN 19 1HD2 ASN 19 9.929 -9.021 0.589 139 HD22 ASN 19 2HD2 ASN 19 10.561 -10.545 1.027 140 H GLU 20 H GLU 20 10.796 -8.660 -4.963 141 HA GLU 20 HA GLU 20 10.160 -5.866 -5.434 142 HB2 GLU 20 2HB GLU 20 10.256 -8.170 -7.374 143 HB3 GLU 20 1HB GLU 20 9.955 -6.499 -7.820 144 HG2 GLU 20 2HG GLU 20 12.173 -5.897 -6.912 145 HG3 GLU 20 1HG GLU 20 12.470 -7.608 -6.609 146 H ASP 21 H ASP 21 8.599 -8.792 -4.857 147 HA ASP 21 HA ASP 21 5.983 -7.960 -5.764 148 HB2 ASP 21 2HB ASP 21 6.866 -10.250 -3.982 149 HB3 ASP 21 1HB ASP 21 5.191 -9.971 -4.440 150 H GLU 22 H GLU 22 7.931 -7.034 -3.432 151 HA GLU 22 HA GLU 22 5.862 -6.254 -1.529 152 HB2 GLU 22 2HB GLU 22 7.816 -7.610 -0.773 153 HB3 GLU 22 1HB GLU 22 8.892 -6.331 -1.319 154 HG2 GLU 22 2HG GLU 22 8.009 -4.889 0.387 155 HG3 GLU 22 1HG GLU 22 6.847 -6.135 0.875 156 H LEU 23 H LEU 23 5.452 -4.060 -1.557 157 HA LEU 23 HA LEU 23 6.581 -2.817 -3.906 158 HG LEU 23 HG LEU 23 3.327 -1.167 -4.518 159 HB2 LEU 23 2HB LEU 23 4.082 -3.065 -3.457 160 HB3 LEU 23 1HB LEU 23 4.267 -1.809 -2.265 161 HD11 LEU 23 1HD1 LEU 23 5.743 0.288 -3.459 162 HD12 LEU 23 2HD1 LEU 23 4.046 0.582 -3.036 163 HD13 LEU 23 3HD1 LEU 23 4.642 0.955 -4.651 164 HD21 LEU 23 3HD2 LEU 23 4.853 -2.429 -5.915 165 HD22 LEU 23 1HD2 LEU 23 6.201 -1.426 -5.380 166 HD23 LEU 23 2HD2 LEU 23 4.894 -0.715 -6.326 167 H THR 24 H THR 24 7.731 -1.010 -3.979 168 HA THR 24 HA THR 24 8.781 -0.029 -1.424 169 HB THR 24 HB THR 24 9.832 0.241 -4.242 170 HG1 THR 24 1HG THR 24 9.946 -1.826 -3.483 171 HG21 THR 24 3HG2 THR 24 11.029 1.062 -1.584 172 HG22 THR 24 1HG2 THR 24 10.593 2.117 -2.914 173 HG23 THR 24 2HG2 THR 24 11.949 0.998 -3.085 174 H PHE 25 H PHE 25 8.058 1.844 -0.722 175 HA PHE 25 HA PHE 25 7.335 3.887 -2.635 176 HD1 PHE 25 2HD PHE 25 5.774 4.387 1.255 177 HD2 PHE 25 1HD PHE 25 4.863 0.956 -1.070 178 HE1 PHE 25 2HE PHE 25 5.128 3.185 3.292 179 HE2 PHE 25 1HE PHE 25 4.217 -0.252 0.950 180 HZ PHE 25 HZ PHE 25 4.346 0.851 3.141 181 HB2 PHE 25 2HB PHE 25 5.361 4.502 -1.194 182 HB3 PHE 25 1HB PHE 25 5.207 3.020 -2.122 183 H ARG 26 H ARG 26 7.510 5.983 -1.901 184 HA ARG 26 HA ARG 26 9.135 6.290 0.512 185 HE ARG 26 HE ARG 26 7.363 10.147 -3.677 186 HB2 ARG 26 2HB ARG 26 9.668 8.524 -0.374 187 HB3 ARG 26 1HB ARG 26 10.009 7.290 -1.574 188 HG2 ARG 26 2HG ARG 26 7.854 7.795 -2.654 189 HG3 ARG 26 1HG ARG 26 7.617 9.095 -1.489 190 HD2 ARG 26 2HD ARG 26 9.607 10.209 -2.284 191 HD3 ARG 26 1HD ARG 26 9.929 8.864 -3.378 192 HH11 ARG 26 1HH1 ARG 26 10.720 9.918 -4.822 193 HH12 ARG 26 2HH1 ARG 26 10.382 10.628 -6.332 194 HH21 ARG 26 1HH2 ARG 26 6.926 11.131 -5.725 195 HH22 ARG 26 2HH2 ARG 26 8.169 11.359 -6.861 196 H GLU 27 H GLU 27 8.510 8.660 1.517 197 HA GLU 27 HA GLU 27 5.836 8.312 2.508 198 HB2 GLU 27 2HB GLU 27 7.809 8.960 3.902 199 HB3 GLU 27 1HB GLU 27 7.875 10.479 3.025 200 HG2 GLU 27 2HG GLU 27 5.606 10.990 3.853 201 HG3 GLU 27 1HG GLU 27 5.666 9.521 4.824 202 H GLY 28 H GLY 28 4.093 9.606 2.015 203 HA2 GLY 28 2HA GLY 28 3.061 11.621 1.317 204 HA3 GLY 28 1HA GLY 28 4.524 12.041 0.443 205 H GLU 29 H GLU 29 3.579 8.835 -0.064 206 HA GLU 29 HA GLU 29 2.709 9.558 -2.761 207 HB2 GLU 29 2HB GLU 29 3.515 6.881 -1.620 208 HB3 GLU 29 1HB GLU 29 3.039 7.165 -3.284 209 HG2 GLU 29 2HG GLU 29 5.459 8.281 -1.892 210 HG3 GLU 29 1HG GLU 29 5.433 7.003 -3.103 211 H ILE 30 H ILE 30 0.886 8.464 -3.706 212 HA ILE 30 HA ILE 30 -1.169 7.764 -1.730 213 HB ILE 30 HB ILE 30 -1.548 8.745 -4.579 214 HG12 ILE 30 2HG1 ILE 30 -0.645 10.550 -3.174 215 HG13 ILE 30 1HG1 ILE 30 -2.322 10.852 -3.629 216 HG21 ILE 30 1HG2 ILE 30 -3.912 8.997 -3.961 217 HG22 ILE 30 2HG2 ILE 30 -3.565 8.306 -2.378 218 HG23 ILE 30 3HG2 ILE 30 -3.369 7.326 -3.828 219 HD11 ILE 30 3HD1 ILE 30 -1.864 11.484 -1.319 220 HD12 ILE 30 1HD1 ILE 30 -1.373 9.827 -0.962 221 HD13 ILE 30 2HD1 ILE 30 -3.044 10.177 -1.411 222 H ILE 31 H ILE 31 -1.577 5.706 -1.698 223 HA ILE 31 HA ILE 31 -0.778 4.084 -4.010 224 HB ILE 31 HB ILE 31 -1.245 3.204 -1.142 225 HG12 ILE 31 2HG1 ILE 31 1.314 3.435 -2.745 226 HG13 ILE 31 1HG1 ILE 31 0.829 4.484 -1.420 227 HG21 ILE 31 1HG2 ILE 31 -1.863 1.433 -2.711 228 HG22 ILE 31 2HG2 ILE 31 -0.380 1.010 -1.853 229 HG23 ILE 31 3HG2 ILE 31 -0.302 1.584 -3.518 230 HD11 ILE 31 3HD1 ILE 31 2.493 2.863 -0.706 231 HD12 ILE 31 1HD1 ILE 31 1.442 1.541 -1.213 232 HD13 ILE 31 2HD1 ILE 31 0.958 2.589 0.119 233 H HIS 32 H HIS 32 -2.223 3.011 -5.121 234 HA HIS 32 HA HIS 32 -5.015 3.346 -4.412 235 HD1 HIS 32 1HD HIS 32 -6.002 4.541 -8.199 236 HD2 HIS 32 2HD HIS 32 -2.389 5.027 -6.188 237 HE1 HIS 32 1HE HIS 32 -5.160 6.827 -8.794 238 HB2 HIS 32 2HB HIS 32 -3.700 2.249 -6.935 239 HB3 HIS 32 1HB HIS 32 -5.425 2.526 -6.724 240 H LEU 33 H LEU 33 -5.627 1.873 -3.022 241 HA LEU 33 HA LEU 33 -4.200 -0.532 -2.624 242 HG LEU 33 HG LEU 33 -5.070 -1.721 -0.319 243 HB2 LEU 33 2HB LEU 33 -5.167 0.772 -0.819 244 HB3 LEU 33 1HB LEU 33 -6.764 0.536 -1.449 245 HD11 LEU 33 1HD1 LEU 33 -5.438 0.031 1.341 246 HD12 LEU 33 2HD1 LEU 33 -6.376 -1.412 1.709 247 HD13 LEU 33 3HD1 LEU 33 -7.167 -0.006 0.999 248 HD21 LEU 33 3HD2 LEU 33 -7.176 -2.870 -0.068 249 HD22 LEU 33 1HD2 LEU 33 -6.991 -2.389 -1.751 250 HD23 LEU 33 2HD2 LEU 33 -8.065 -1.474 -0.681 251 H ILE 34 H ILE 34 -4.616 -2.503 -3.195 252 HA ILE 34 HA ILE 34 -6.721 -2.971 -5.179 253 HB ILE 34 HB ILE 34 -4.209 -4.557 -4.526 254 HG12 ILE 34 2HG1 ILE 34 -3.661 -2.426 -5.600 255 HG13 ILE 34 1HG1 ILE 34 -3.337 -3.769 -6.686 256 HG21 ILE 34 1HG2 ILE 34 -5.918 -6.040 -5.374 257 HG22 ILE 34 2HG2 ILE 34 -4.646 -5.816 -6.583 258 HG23 ILE 34 3HG2 ILE 34 -6.186 -4.974 -6.758 259 HD11 ILE 34 3HD1 ILE 34 -5.420 -3.287 -7.867 260 HD12 ILE 34 1HD1 ILE 34 -4.330 -1.898 -7.864 261 HD13 ILE 34 2HD1 ILE 34 -5.718 -1.933 -6.779 262 H SER 35 H SER 35 -5.123 -4.434 -2.360 263 HA SER 35 HA SER 35 -7.641 -5.643 -1.536 264 HG SER 35 HG SER 35 -7.485 -7.322 -3.384 265 HB2 SER 35 2HB SER 35 -5.083 -7.227 -1.874 266 HB3 SER 35 1HB SER 35 -6.630 -7.850 -1.311 267 H LYS 36 H LYS 36 -7.762 -5.725 0.689 268 HA LYS 36 HA LYS 36 -5.423 -4.823 2.201 269 HB2 LYS 36 2HB LYS 36 -8.251 -5.391 3.105 270 HB3 LYS 36 1HB LYS 36 -6.947 -4.995 4.205 271 HG2 LYS 36 2HG LYS 36 -6.697 -2.844 3.037 272 HG3 LYS 36 1HG LYS 36 -8.155 -3.138 2.109 273 HD2 LYS 36 2HD LYS 36 -7.842 -2.841 5.093 274 HD3 LYS 36 1HD LYS 36 -8.734 -1.797 3.996 275 HE2 LYS 36 2HE LYS 36 -10.360 -3.612 3.612 276 HE3 LYS 36 1HE LYS 36 -9.444 -4.649 4.697 277 HZ1 LYS 36 3HZ LYS 36 -10.776 -2.112 5.485 278 HZ2 LYS 36 1HZ LYS 36 -9.879 -3.111 6.504 279 HZ3 LYS 36 2HZ LYS 36 -11.321 -3.652 5.845 280 H GLU 37 H GLU 37 -7.112 -7.630 1.337 281 HA GLU 37 HA GLU 37 -5.794 -9.166 3.435 282 HB2 GLU 37 2HB GLU 37 -8.244 -9.487 3.156 283 HB3 GLU 37 1HB GLU 37 -7.950 -10.031 1.509 284 HG2 GLU 37 2HG GLU 37 -6.596 -11.890 2.388 285 HG3 GLU 37 1HG GLU 37 -6.973 -11.365 4.024 286 H THR 38 H THR 38 -3.864 -9.803 2.849 287 HA THR 38 HA THR 38 -3.360 -10.684 0.110 288 HB THR 38 HB THR 38 -0.981 -10.628 1.041 289 HG1 THR 38 1HG THR 38 -1.800 -8.854 3.017 290 HG21 THR 38 3HG2 THR 38 -0.848 -8.172 0.856 291 HG22 THR 38 1HG2 THR 38 -2.604 -8.075 1.003 292 HG23 THR 38 2HG2 THR 38 -1.877 -8.867 -0.399 293 H GLY 39 H GLY 39 -4.502 -11.862 2.848 294 HA2 GLY 39 2HA GLY 39 -4.728 -14.261 3.154 295 HA3 GLY 39 1HA GLY 39 -3.005 -14.394 2.776 296 H GLU 40 H GLU 40 -2.001 -12.271 4.154 297 HA GLU 40 HA GLU 40 -2.355 -13.135 6.918 298 HB2 GLU 40 2HB GLU 40 -0.178 -11.498 5.606 299 HB3 GLU 40 1HB GLU 40 -0.260 -11.845 7.326 300 HG2 GLU 40 2HG GLU 40 0.084 -13.841 5.109 301 HG3 GLU 40 1HG GLU 40 1.318 -13.300 6.240 302 H ALA 41 H ALA 41 -3.192 -11.811 8.389 303 HA ALA 41 HA ALA 41 -4.335 -9.321 7.555 304 HB1 ALA 41 1HB ALA 41 -5.506 -10.787 9.149 305 HB2 ALA 41 2HB ALA 41 -5.196 -9.193 9.843 306 HB3 ALA 41 3HB ALA 41 -4.191 -10.564 10.304 307 H GLY 42 H GLY 42 -2.918 -7.763 7.170 308 HA2 GLY 42 2HA GLY 42 -1.831 -6.041 8.822 309 HA3 GLY 42 1HA GLY 42 -0.653 -7.344 8.970 310 H TRP 43 H TRP 43 -1.106 -8.135 6.180 311 HA TRP 43 HA TRP 43 0.568 -6.096 4.943 312 HD1 TRP 43 HD TRP 43 1.085 -9.766 6.520 313 HE1 TRP 43 1HE TRP 43 3.537 -10.004 7.212 314 HE3 TRP 43 3HE TRP 43 3.212 -6.841 2.910 315 HZ2 TRP 43 2HZ TRP 43 6.064 -9.061 6.336 316 HZ3 TRP 43 3HZ TRP 43 5.655 -6.559 2.907 317 HH2 TRP 43 HH TRP 43 7.050 -7.646 4.586 318 HB2 TRP 43 2HB TRP 43 -0.003 -8.959 4.167 319 HB3 TRP 43 1HB TRP 43 0.946 -7.852 3.190 320 H TRP 44 H TRP 44 -0.193 -4.856 3.439 321 HA TRP 44 HA TRP 44 -2.842 -5.374 2.291 322 HD1 TRP 44 HD TRP 44 -3.568 -5.040 4.490 323 HE1 TRP 44 1HE TRP 44 -5.338 -3.805 5.895 324 HE3 TRP 44 3HE TRP 44 -3.003 -0.343 2.568 325 HZ2 TRP 44 2HZ TRP 44 -6.350 -1.193 6.148 326 HZ3 TRP 44 3HZ TRP 44 -4.422 1.466 3.450 327 HH2 TRP 44 HH TRP 44 -6.073 1.021 5.204 328 HB2 TRP 44 2HB TRP 44 -1.298 -2.874 2.908 329 HB3 TRP 44 1HB TRP 44 -2.514 -2.865 1.646 330 H LYS 45 H LYS 45 -3.057 -4.751 0.030 331 HA LYS 45 HA LYS 45 -0.527 -4.884 -1.436 332 HB2 LYS 45 2HB LYS 45 -1.726 -7.081 -1.399 333 HB3 LYS 45 1HB LYS 45 -3.131 -6.290 -2.057 334 HG2 LYS 45 2HG LYS 45 -2.169 -6.075 -4.184 335 HG3 LYS 45 1HG LYS 45 -0.531 -6.351 -3.563 336 HD2 LYS 45 2HD LYS 45 -1.086 -8.640 -3.004 337 HD3 LYS 45 1HD LYS 45 -2.754 -8.393 -3.485 338 HE2 LYS 45 2HE LYS 45 -0.427 -8.137 -5.391 339 HE3 LYS 45 1HE LYS 45 -1.267 -9.657 -5.108 340 HZ1 LYS 45 3HZ LYS 45 -2.370 -7.202 -6.435 341 HZ2 LYS 45 1HZ LYS 45 -3.347 -8.470 -5.847 342 HZ3 LYS 45 2HZ LYS 45 -2.169 -8.729 -6.999 343 H GLY 46 H GLY 46 -0.378 -3.317 -2.904 344 HA2 GLY 46 2HA GLY 46 -2.762 -1.957 -3.831 345 HA3 GLY 46 1HA GLY 46 -1.650 -1.016 -2.848 346 H GLU 47 H GLU 47 -2.271 -0.373 -5.447 347 HA GLU 47 HA GLU 47 0.132 -1.112 -6.915 348 HB2 GLU 47 2HB GLU 47 -2.076 -1.722 -7.927 349 HB3 GLU 47 1HB GLU 47 -2.511 -0.033 -7.927 350 HG2 GLU 47 2HG GLU 47 -0.066 -0.919 -9.399 351 HG3 GLU 47 1HG GLU 47 -1.654 -1.188 -10.103 352 H LEU 48 H LEU 48 1.565 0.333 -7.249 353 HA LEU 48 HA LEU 48 0.905 3.166 -7.017 354 HG LEU 48 HG LEU 48 3.924 4.042 -6.532 355 HB2 LEU 48 2HB LEU 48 1.896 2.514 -4.883 356 HB3 LEU 48 1HB LEU 48 3.250 1.793 -5.730 357 HD11 LEU 48 1HD1 LEU 48 1.804 5.146 -6.506 358 HD12 LEU 48 2HD1 LEU 48 2.957 6.030 -5.497 359 HD13 LEU 48 3HD1 LEU 48 1.714 5.027 -4.749 360 HD21 LEU 48 3HD2 LEU 48 4.949 3.128 -4.532 361 HD22 LEU 48 1HD2 LEU 48 3.646 3.794 -3.549 362 HD23 LEU 48 2HD2 LEU 48 4.754 4.876 -4.391 363 H ASN 49 H ASN 49 1.214 3.852 -8.941 364 HA ASN 49 HA ASN 49 2.188 4.593 -10.826 365 HB2 ASN 49 2HB ASN 49 4.770 3.783 -9.485 366 HB3 ASN 49 1HB ASN 49 4.657 4.735 -10.954 367 HD21 ASN 49 1HD2 ASN 49 2.283 6.269 -9.846 368 HD22 ASN 49 2HD2 ASN 49 3.007 7.342 -8.711 369 H GLY 50 H GLY 50 1.515 1.622 -10.478 370 HA2 GLY 50 2HA GLY 50 1.310 0.539 -12.694 371 HA3 GLY 50 1HA GLY 50 3.035 0.775 -12.863 372 H LYS 51 H LYS 51 3.356 0.031 -9.908 373 HA LYS 51 HA LYS 51 3.114 -2.841 -10.407 374 HB2 LYS 51 2HB LYS 51 5.117 -1.310 -8.769 375 HB3 LYS 51 1HB LYS 51 4.796 -2.997 -8.433 376 HG2 LYS 51 2HG LYS 51 6.726 -2.927 -9.776 377 HG3 LYS 51 1HG LYS 51 5.425 -3.483 -10.816 378 HD2 LYS 51 2HD LYS 51 5.230 -1.240 -11.759 379 HD3 LYS 51 1HD LYS 51 6.526 -0.675 -10.705 380 HE2 LYS 51 2HE LYS 51 6.733 -2.772 -12.870 381 HE3 LYS 51 1HE LYS 51 7.433 -1.158 -12.895 382 HZ1 LYS 51 3HZ LYS 51 8.851 -1.806 -11.012 383 HZ2 LYS 51 1HZ LYS 51 9.090 -2.803 -12.340 384 HZ3 LYS 51 2HZ LYS 51 8.204 -3.364 -11.040 385 H GLU 52 H GLU 52 2.234 -4.175 -8.928 386 HA GLU 52 HA GLU 52 1.034 -2.890 -6.625 387 HB2 GLU 52 2HB GLU 52 -0.847 -4.502 -6.766 388 HB3 GLU 52 1HB GLU 52 -0.808 -3.434 -8.146 389 HG2 GLU 52 2HG GLU 52 0.153 -5.214 -9.503 390 HG3 GLU 52 1HG GLU 52 0.178 -6.278 -8.098 391 H GLY 53 H GLY 53 1.885 -3.532 -4.886 392 HA2 GLY 53 2HA GLY 53 2.833 -6.297 -4.727 393 HA3 GLY 53 1HA GLY 53 3.891 -4.985 -4.233 394 H VAL 54 H VAL 54 3.830 -6.205 -2.252 395 HA VAL 54 HA VAL 54 1.436 -5.571 -0.681 396 HB VAL 54 HB VAL 54 2.013 -7.431 0.829 397 HG11 VAL 54 1HG1 VAL 54 0.481 -7.874 -0.997 398 HG12 VAL 54 2HG1 VAL 54 1.465 -9.298 -0.667 399 HG13 VAL 54 3HG1 VAL 54 1.832 -8.272 -2.055 400 HG21 VAL 54 3HG2 VAL 54 4.440 -7.483 0.514 401 HG22 VAL 54 1HG2 VAL 54 4.227 -8.054 -1.140 402 HG23 VAL 54 2HG2 VAL 54 3.748 -9.075 0.218 403 H PHE 55 H PHE 55 1.732 -4.920 1.462 404 HA PHE 55 HA PHE 55 4.327 -4.201 2.431 405 HD1 PHE 55 1HD PHE 55 1.839 -2.520 -0.489 406 HD2 PHE 55 2HD PHE 55 1.944 -0.763 3.393 407 HE1 PHE 55 1HE PHE 55 -0.315 -1.427 -0.928 408 HE2 PHE 55 2HE PHE 55 -0.214 0.330 2.958 409 HZ PHE 55 HZ PHE 55 -1.348 -0.000 0.793 410 HB2 PHE 55 2HB PHE 55 3.940 -1.764 2.437 411 HB3 PHE 55 1HB PHE 55 3.913 -2.429 0.803 412 HA PRO 56 HA PRO 56 1.816 -4.495 6.173 413 HB2 PRO 56 2HB PRO 56 3.798 -2.762 7.514 414 HB3 PRO 56 1HB PRO 56 3.374 -4.440 7.866 415 HG2 PRO 56 2HG PRO 56 5.741 -3.798 6.764 416 HG3 PRO 56 1HG PRO 56 4.881 -5.288 6.332 417 HD2 PRO 56 2HD PRO 56 5.035 -2.690 4.840 418 HD3 PRO 56 1HD PRO 56 5.159 -4.360 4.234 419 H ASP 57 H ASP 57 0.149 -3.257 6.902 420 HA ASP 57 HA ASP 57 -0.316 -0.724 5.685 421 HB2 ASP 57 2HB ASP 57 -2.469 -0.691 6.778 422 HB3 ASP 57 1HB ASP 57 -2.152 -2.308 6.186 423 H ASN 58 H ASN 58 1.621 -1.245 8.161 424 HA ASN 58 HA ASN 58 0.895 0.819 10.024 425 HB2 ASN 58 2HB ASN 58 3.593 -0.481 9.631 426 HB3 ASN 58 1HB ASN 58 3.041 0.393 11.052 427 HD21 ASN 58 1HD2 ASN 58 1.590 -0.618 12.458 428 HD22 ASN 58 2HD2 ASN 58 1.331 -2.313 12.392 429 H PHE 59 H PHE 59 2.570 0.703 7.037 430 HA PHE 59 HA PHE 59 4.097 3.105 7.613 431 HD1 PHE 59 2HD PHE 59 4.454 -0.640 6.810 432 HD2 PHE 59 1HD PHE 59 7.128 2.669 6.642 433 HE1 PHE 59 2HE PHE 59 6.153 -1.949 8.015 434 HE2 PHE 59 1HE PHE 59 8.821 1.368 7.846 435 HZ PHE 59 HZ PHE 59 8.339 -0.942 8.537 436 HB2 PHE 59 2HB PHE 59 4.121 1.264 5.221 437 HB3 PHE 59 1HB PHE 59 5.125 2.703 5.365 438 H ALA 60 H ALA 60 1.025 2.666 6.741 439 HA ALA 60 HA ALA 60 0.925 5.179 5.302 440 HB1 ALA 60 1HB ALA 60 1.088 3.484 3.525 441 HB2 ALA 60 2HB ALA 60 -0.486 4.278 3.522 442 HB3 ALA 60 3HB ALA 60 -0.319 2.657 4.195 443 H VAL 61 H VAL 61 -1.414 5.835 5.012 444 HA VAL 61 HA VAL 61 -3.208 4.549 6.891 445 HB VAL 61 HB VAL 61 -2.251 6.484 8.105 446 HG11 VAL 61 1HG1 VAL 61 -1.702 7.954 6.264 447 HG12 VAL 61 2HG1 VAL 61 -2.745 8.794 7.412 448 HG13 VAL 61 3HG1 VAL 61 -3.412 8.180 5.901 449 HG21 VAL 61 3HG2 VAL 61 -4.366 7.579 8.756 450 HG22 VAL 61 1HG2 VAL 61 -4.515 5.824 8.646 451 HG23 VAL 61 2HG2 VAL 61 -5.149 6.845 7.357 452 H GLN 62 H GLN 62 -5.176 4.307 6.093 453 HA GLN 62 HA GLN 62 -5.688 5.016 3.406 454 HB2 GLN 62 2HB GLN 62 -6.607 2.970 4.161 455 HB3 GLN 62 1HB GLN 62 -7.379 3.738 5.540 456 HG2 GLN 62 2HG GLN 62 -8.978 4.798 4.153 457 HG3 GLN 62 1HG GLN 62 -8.101 4.352 2.699 458 HE21 GLN 62 1HE2 GLN 62 -10.031 3.503 1.993 459 HE22 GLN 62 2HE2 GLN 62 -10.550 1.918 2.418 460 H ILE 63 H ILE 63 -6.353 6.797 2.662 461 HA ILE 63 HA ILE 63 -6.949 9.081 4.254 462 HB ILE 63 HB ILE 63 -7.433 8.706 1.286 463 HG12 ILE 63 2HG1 ILE 63 -4.904 9.679 2.643 464 HG13 ILE 63 1HG1 ILE 63 -5.116 8.079 1.937 465 HG21 ILE 63 1HG2 ILE 63 -7.089 11.143 1.175 466 HG22 ILE 63 2HG2 ILE 63 -6.914 11.192 2.928 467 HG23 ILE 63 3HG2 ILE 63 -8.454 10.722 2.210 468 HD11 ILE 63 3HD1 ILE 63 -5.240 10.690 0.447 469 HD12 ILE 63 1HD1 ILE 63 -5.421 9.086 -0.258 470 HD13 ILE 63 2HD1 ILE 63 -3.884 9.560 0.455 471 H SER 64 H SER 64 -8.861 7.078 2.018 472 HA SER 64 HA SER 64 -11.256 7.863 3.415 473 HG SER 64 HG SER 64 -10.322 9.600 2.030 474 HB2 SER 64 2HB SER 64 -10.856 7.677 0.423 475 HB3 SER 64 1HB SER 64 -12.381 8.002 1.255 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -13.285 -8.175 3.442 2 H2 GLY 1 2HT GLY 1 -14.006 -6.824 2.685 3 H3 GLY 1 3HT GLY 1 -12.616 -6.639 3.599 4 HA2 GLY 1 1HA GLY 1 -11.315 -7.811 2.047 5 HA3 GLY 1 2HA GLY 1 -12.758 -8.161 1.102 6 H ALA 2 H ALA 2 -10.914 -6.989 -0.281 7 HA ALA 2 HA ALA 2 -12.026 -4.439 -0.930 8 HB1 ALA 2 1HB ALA 2 -9.125 -4.715 -0.100 9 HB2 ALA 2 2HB ALA 2 -10.350 -3.763 0.730 10 HB3 ALA 2 3HB ALA 2 -9.821 -3.301 -0.889 11 H MET 3 H MET 3 -12.031 -4.391 -3.093 12 HA MET 3 HA MET 3 -10.276 -6.304 -4.465 13 HB2 MET 3 2HB MET 3 -13.053 -5.411 -5.247 14 HB3 MET 3 1HB MET 3 -12.012 -6.416 -6.242 15 HG2 MET 3 2HG MET 3 -13.112 -7.127 -3.531 16 HG3 MET 3 1HG MET 3 -13.655 -7.763 -5.079 17 HE1 MET 3 3HE MET 3 -13.406 -10.228 -4.228 18 HE2 MET 3 1HE MET 3 -12.877 -9.650 -2.647 19 HE3 MET 3 2HE MET 3 -11.946 -10.889 -3.494 20 H GLY 4 H GLY 4 -9.942 -3.459 -3.752 21 HA2 GLY 4 2HA GLY 4 -8.863 -1.674 -4.678 22 HA3 GLY 4 1HA GLY 4 -8.637 -2.659 -6.123 23 H ALA 5 H ALA 5 -11.460 -1.379 -4.450 24 HA ALA 5 HA ALA 5 -12.582 -0.640 -7.000 25 HB1 ALA 5 1HB ALA 5 -14.580 -0.001 -5.712 26 HB2 ALA 5 2HB ALA 5 -13.704 -0.327 -4.213 27 HB3 ALA 5 3HB ALA 5 -14.056 -1.641 -5.327 28 H LYS 6 H LYS 6 -12.595 1.221 -4.056 29 HA LYS 6 HA LYS 6 -10.908 3.233 -5.210 30 HB2 LYS 6 2HB LYS 6 -13.785 3.831 -4.522 31 HB3 LYS 6 1HB LYS 6 -12.554 5.079 -4.527 32 HG2 LYS 6 2HG LYS 6 -12.129 4.660 -6.893 33 HG3 LYS 6 1HG LYS 6 -13.356 3.396 -6.896 34 HD2 LYS 6 2HD LYS 6 -13.892 6.271 -6.182 35 HD3 LYS 6 1HD LYS 6 -14.110 5.603 -7.799 36 HE2 LYS 6 2HE LYS 6 -15.534 4.667 -5.302 37 HE3 LYS 6 1HE LYS 6 -16.216 5.726 -6.522 38 HZ1 LYS 6 3HZ LYS 6 -15.379 2.895 -6.920 39 HZ2 LYS 6 1HZ LYS 6 -15.892 3.936 -8.149 40 HZ3 LYS 6 2HZ LYS 6 -16.953 3.496 -6.916 41 H GLU 7 H GLU 7 -9.625 2.355 -3.524 42 HA GLU 7 HA GLU 7 -10.109 3.830 -1.076 43 HB2 GLU 7 2HB GLU 7 -9.252 0.913 -1.191 44 HB3 GLU 7 1HB GLU 7 -9.135 1.906 0.253 45 HG2 GLU 7 2HG GLU 7 -11.599 2.221 0.176 46 HG3 GLU 7 1HG GLU 7 -11.663 1.115 -1.192 47 H TYR 8 H TYR 8 -8.453 5.078 -0.670 48 HA TYR 8 HA TYR 8 -5.874 4.359 -1.908 49 HD1 TYR 8 1HD TYR 8 -5.154 5.831 -4.438 50 HD2 TYR 8 2HD TYR 8 -8.977 6.867 -2.925 51 HE1 TYR 8 1HE TYR 8 -6.065 5.762 -6.713 52 HE2 TYR 8 2HE TYR 8 -9.911 6.789 -5.201 53 HH TYR 8 HH TYR 8 -9.076 7.034 -7.501 54 HB2 TYR 8 2HB TYR 8 -6.971 7.157 -1.561 55 HB3 TYR 8 1HB TYR 8 -5.406 6.734 -2.201 56 H CYS 9 H CYS 9 -4.080 4.733 -0.726 57 HA CYS 9 HA CYS 9 -4.470 5.807 1.951 58 HG CYS 9 HG CYS 9 -2.838 1.474 1.468 59 HB2 CYS 9 2HB CYS 9 -2.853 4.004 2.746 60 HB3 CYS 9 1HB CYS 9 -4.480 3.477 2.339 61 H ARG 10 H ARG 10 -2.646 6.765 2.876 62 HA ARG 10 HA ARG 10 -0.583 7.531 0.923 63 HE ARG 10 HE ARG 10 2.035 11.071 3.610 64 HB2 ARG 10 2HB ARG 10 -1.790 9.497 1.677 65 HB3 ARG 10 1HB ARG 10 -1.603 9.009 3.362 66 HG2 ARG 10 2HG ARG 10 0.861 9.223 3.083 67 HG3 ARG 10 1HG ARG 10 0.574 9.877 1.479 68 HD2 ARG 10 2HD ARG 10 -0.509 11.795 2.380 69 HD3 ARG 10 1HD ARG 10 -0.544 11.081 3.998 70 HH11 ARG 10 1HH1 ARG 10 -0.213 13.719 2.837 71 HH12 ARG 10 2HH1 ARG 10 0.973 14.921 3.030 72 HH21 ARG 10 1HH2 ARG 10 3.593 12.662 3.887 73 HH22 ARG 10 2HH2 ARG 10 3.242 14.313 3.632 74 H THR 11 H THR 11 1.483 7.010 1.387 75 HA THR 11 HA THR 11 2.075 5.468 3.671 76 HB THR 11 HB THR 11 4.446 5.997 2.630 77 HG1 THR 11 1HG THR 11 4.330 6.856 0.711 78 HG21 THR 11 3HG2 THR 11 2.292 4.312 1.437 79 HG22 THR 11 1HG2 THR 11 3.407 3.814 2.709 80 HG23 THR 11 2HG2 THR 11 4.011 4.133 1.064 81 H LEU 12 H LEU 12 2.728 6.129 5.527 82 HA LEU 12 HA LEU 12 3.383 8.947 6.009 83 HG LEU 12 HG LEU 12 0.789 7.321 6.784 84 HB2 LEU 12 2HB LEU 12 2.875 6.659 7.909 85 HB3 LEU 12 1HB LEU 12 3.143 8.321 8.375 86 HD11 LEU 12 1HD1 LEU 12 1.053 8.143 9.667 87 HD12 LEU 12 2HD1 LEU 12 0.726 6.517 9.056 88 HD13 LEU 12 3HD1 LEU 12 -0.464 7.800 8.838 89 HD21 LEU 12 3HD2 LEU 12 1.394 10.040 7.956 90 HD22 LEU 12 1HD2 LEU 12 -0.126 9.568 7.201 91 HD23 LEU 12 2HD2 LEU 12 1.346 9.635 6.238 92 H PHE 13 H PHE 13 4.790 6.011 5.425 93 HA PHE 13 HA PHE 13 7.386 6.952 6.317 94 HD1 PHE 13 1HD PHE 13 8.772 6.032 8.761 95 HD2 PHE 13 2HD PHE 13 4.704 4.806 8.599 96 HE1 PHE 13 1HE PHE 13 8.503 6.622 11.128 97 HE2 PHE 13 2HE PHE 13 4.428 5.401 10.969 98 HZ PHE 13 HZ PHE 13 6.339 6.310 12.231 99 HB2 PHE 13 2HB PHE 13 6.209 4.229 6.892 100 HB3 PHE 13 1HB PHE 13 7.929 4.566 6.982 101 HA PRO 14 HA PRO 14 8.288 5.246 2.252 102 HB2 PRO 14 2HB PRO 14 11.081 5.288 3.116 103 HB3 PRO 14 1HB PRO 14 10.341 6.191 1.795 104 HG2 PRO 14 2HG PRO 14 11.201 7.384 4.050 105 HG3 PRO 14 1HG PRO 14 9.778 7.961 3.163 106 HD2 PRO 14 2HD PRO 14 9.921 6.330 5.662 107 HD3 PRO 14 1HD PRO 14 8.823 7.658 5.205 108 H TYR 15 H TYR 15 8.420 3.142 1.723 109 HA TYR 15 HA TYR 15 9.691 1.294 3.614 110 HD1 TYR 15 1HD TYR 15 8.692 -0.627 5.155 111 HD2 TYR 15 2HD TYR 15 7.162 -1.401 1.249 112 HE1 TYR 15 1HE TYR 15 8.997 -3.035 5.508 113 HE2 TYR 15 2HE TYR 15 7.472 -3.818 1.612 114 HH TYR 15 HH TYR 15 8.800 -5.284 2.964 115 HB2 TYR 15 2HB TYR 15 7.253 1.073 3.857 116 HB3 TYR 15 1HB TYR 15 7.091 0.819 2.123 117 H THR 16 H THR 16 11.290 0.257 2.667 118 HA THR 16 HA THR 16 11.254 -0.050 -0.234 119 HB THR 16 HB THR 16 13.520 -0.543 1.730 120 HG1 THR 16 1HG THR 16 12.935 1.635 1.724 121 HG21 THR 16 3HG2 THR 16 13.730 -1.711 -0.434 122 HG22 THR 16 1HG2 THR 16 14.938 -0.437 -0.280 123 HG23 THR 16 2HG2 THR 16 13.504 -0.181 -1.280 124 H GLY 17 H GLY 17 10.556 -1.988 -0.965 125 HA2 GLY 17 2HA GLY 17 10.067 -4.145 0.764 126 HA3 GLY 17 1HA GLY 17 9.996 -4.158 -0.996 127 H THR 18 H THR 18 11.108 -6.032 1.026 128 HA THR 18 HA THR 18 13.945 -6.040 0.404 129 HB THR 18 HB THR 18 13.840 -8.257 1.750 130 HG1 THR 18 1HG THR 18 11.165 -7.748 1.650 131 HG21 THR 18 3HG2 THR 18 14.705 -6.174 2.696 132 HG22 THR 18 1HG2 THR 18 13.776 -7.065 3.902 133 HG23 THR 18 2HG2 THR 18 13.066 -5.664 3.099 134 H ASN 19 H ASN 19 11.018 -7.631 -0.351 135 HA ASN 19 HA ASN 19 12.241 -9.211 -2.475 136 HB2 ASN 19 2HB ASN 19 9.473 -9.161 -1.244 137 HB3 ASN 19 1HB ASN 19 9.931 -10.185 -2.583 138 HD21 ASN 19 1HD2 ASN 19 10.165 -9.602 0.778 139 HD22 ASN 19 2HD2 ASN 19 10.846 -11.119 1.257 140 H GLU 20 H GLU 20 11.121 -8.899 -4.615 141 HA GLU 20 HA GLU 20 10.256 -6.138 -4.764 142 HB2 GLU 20 2HB GLU 20 10.534 -6.305 -7.214 143 HB3 GLU 20 1HB GLU 20 12.005 -6.644 -6.330 144 HG2 GLU 20 2HG GLU 20 11.678 -9.030 -6.712 145 HG3 GLU 20 1HG GLU 20 10.192 -8.677 -7.604 146 H ASP 21 H ASP 21 8.856 -8.867 -4.176 147 HA ASP 21 HA ASP 21 6.381 -8.450 -5.617 148 HB2 ASP 21 2HB ASP 21 7.117 -10.701 -4.653 149 HB3 ASP 21 1HB ASP 21 6.784 -10.034 -3.057 150 H GLU 22 H GLU 22 8.017 -7.333 -2.909 151 HA GLU 22 HA GLU 22 5.870 -5.925 -1.600 152 HB2 GLU 22 2HB GLU 22 8.865 -6.005 -1.399 153 HB3 GLU 22 1HB GLU 22 7.937 -4.772 -0.574 154 HG2 GLU 22 2HG GLU 22 7.023 -6.224 0.852 155 HG3 GLU 22 1HG GLU 22 7.330 -7.665 -0.149 156 H LEU 23 H LEU 23 5.949 -3.528 -1.608 157 HA LEU 23 HA LEU 23 7.099 -2.601 -4.128 158 HG LEU 23 HG LEU 23 3.889 -1.176 -5.269 159 HB2 LEU 23 2HB LEU 23 4.478 -2.881 -3.762 160 HB3 LEU 23 1HB LEU 23 4.666 -1.334 -2.981 161 HD11 LEU 23 1HD1 LEU 23 5.455 0.540 -6.106 162 HD12 LEU 23 2HD1 LEU 23 6.621 0.035 -4.880 163 HD13 LEU 23 3HD1 LEU 23 5.079 0.738 -4.396 164 HD21 LEU 23 3HD2 LEU 23 4.979 -3.083 -6.242 165 HD22 LEU 23 1HD2 LEU 23 6.560 -2.316 -6.059 166 HD23 LEU 23 2HD2 LEU 23 5.369 -1.627 -7.157 167 H THR 24 H THR 24 8.178 -0.774 -4.043 168 HA THR 24 HA THR 24 8.820 0.203 -1.395 169 HB THR 24 HB THR 24 10.151 0.657 -4.078 170 HG1 THR 24 1HG THR 24 11.588 -0.811 -3.410 171 HG21 THR 24 3HG2 THR 24 12.000 1.712 -2.795 172 HG22 THR 24 1HG2 THR 24 11.023 1.628 -1.331 173 HG23 THR 24 2HG2 THR 24 10.511 2.643 -2.675 174 H PHE 25 H PHE 25 7.997 1.942 -0.616 175 HA PHE 25 HA PHE 25 6.756 3.938 -2.399 176 HD1 PHE 25 2HD PHE 25 4.022 3.654 -2.815 177 HD2 PHE 25 1HD PHE 25 5.173 0.871 0.166 178 HE1 PHE 25 2HE PHE 25 2.493 1.973 -3.794 179 HE2 PHE 25 1HE PHE 25 3.652 -0.803 -0.803 180 HZ PHE 25 HZ PHE 25 2.313 -0.247 -2.780 181 HB2 PHE 25 2HB PHE 25 5.808 3.106 0.349 182 HB3 PHE 25 1HB PHE 25 5.098 4.351 -0.671 183 H ARG 26 H ARG 26 6.693 6.112 -1.475 184 HA ARG 26 HA ARG 26 8.863 6.641 0.394 185 HE ARG 26 HE ARG 26 7.587 10.191 -2.689 186 HB2 ARG 26 2HB ARG 26 9.407 7.387 -1.832 187 HB3 ARG 26 1HB ARG 26 7.808 8.092 -2.031 188 HG2 ARG 26 2HG ARG 26 8.333 9.714 -0.346 189 HG3 ARG 26 1HG ARG 26 9.967 9.047 -0.185 190 HD2 ARG 26 2HD ARG 26 9.901 11.040 -1.650 191 HD3 ARG 26 1HD ARG 26 10.425 9.591 -2.512 192 HH11 ARG 26 1HH1 ARG 26 10.749 10.729 -4.156 193 HH12 ARG 26 2HH1 ARG 26 10.126 10.894 -5.736 194 HH21 ARG 26 1HH2 ARG 26 6.741 10.409 -4.770 195 HH22 ARG 26 2HH2 ARG 26 7.777 10.740 -6.093 196 H GLU 27 H GLU 27 8.392 8.679 1.595 197 HA GLU 27 HA GLU 27 5.882 8.785 2.849 198 HB2 GLU 27 2HB GLU 27 7.660 9.603 4.067 199 HB3 GLU 27 1HB GLU 27 8.329 10.511 2.743 200 HG2 GLU 27 2HG GLU 27 7.534 12.083 4.317 201 HG3 GLU 27 1HG GLU 27 6.383 12.081 2.992 202 H GLY 28 H GLY 28 4.040 9.631 2.143 203 HA2 GLY 28 2HA GLY 28 2.701 11.406 1.359 204 HA3 GLY 28 1HA GLY 28 4.100 12.065 0.536 205 H GLU 29 H GLU 29 3.639 8.730 -0.048 206 HA GLU 29 HA GLU 29 2.741 9.436 -2.723 207 HB2 GLU 29 2HB GLU 29 3.616 6.743 -1.661 208 HB3 GLU 29 1HB GLU 29 3.295 7.130 -3.340 209 HG2 GLU 29 2HG GLU 29 5.563 8.096 -1.617 210 HG3 GLU 29 1HG GLU 29 5.649 7.049 -3.027 211 H ILE 30 H ILE 30 0.874 8.628 -3.606 212 HA ILE 30 HA ILE 30 -1.050 7.641 -1.660 213 HB ILE 30 HB ILE 30 -1.477 8.888 -4.395 214 HG12 ILE 30 2HG1 ILE 30 -0.852 10.499 -2.656 215 HG13 ILE 30 1HG1 ILE 30 -2.517 10.733 -3.168 216 HG21 ILE 30 1HG2 ILE 30 -3.170 7.176 -3.993 217 HG22 ILE 30 2HG2 ILE 30 -3.880 8.788 -3.935 218 HG23 ILE 30 3HG2 ILE 30 -3.556 7.915 -2.438 219 HD11 ILE 30 3HD1 ILE 30 -1.593 9.393 -0.627 220 HD12 ILE 30 1HD1 ILE 30 -3.275 9.561 -1.139 221 HD13 ILE 30 2HD1 ILE 30 -2.316 10.994 -0.778 222 H ILE 31 H ILE 31 -1.634 5.684 -1.713 223 HA ILE 31 HA ILE 31 -0.739 3.946 -3.903 224 HB ILE 31 HB ILE 31 -1.616 3.214 -1.107 225 HG12 ILE 31 2HG1 ILE 31 1.216 3.461 -2.135 226 HG13 ILE 31 1HG1 ILE 31 0.436 4.605 -1.046 227 HG21 ILE 31 1HG2 ILE 31 -0.513 1.081 -1.589 228 HG22 ILE 31 2HG2 ILE 31 -0.151 1.643 -3.221 229 HG23 ILE 31 3HG2 ILE 31 -1.824 1.417 -2.719 230 HD11 ILE 31 3HD1 ILE 31 1.938 2.987 0.065 231 HD12 ILE 31 1HD1 ILE 31 0.863 1.695 -0.437 232 HD13 ILE 31 2HD1 ILE 31 0.281 2.939 0.680 233 H HIS 32 H HIS 32 -2.362 2.939 -5.066 234 HA HIS 32 HA HIS 32 -5.060 3.273 -4.074 235 HD1 HIS 32 1HD HIS 32 -6.143 1.063 -8.122 236 HD2 HIS 32 2HD HIS 32 -7.344 3.173 -4.742 237 HE1 HIS 32 1HE HIS 32 -8.627 0.773 -7.950 238 HB2 HIS 32 2HB HIS 32 -4.616 3.587 -6.548 239 HB3 HIS 32 1HB HIS 32 -4.155 1.887 -6.633 240 H LEU 33 H LEU 33 -5.874 1.830 -2.824 241 HA LEU 33 HA LEU 33 -4.340 -0.438 -2.077 242 HG LEU 33 HG LEU 33 -5.094 -1.244 0.282 243 HB2 LEU 33 2HB LEU 33 -5.631 1.092 -0.555 244 HB3 LEU 33 1HB LEU 33 -7.101 0.440 -1.225 245 HD11 LEU 33 1HD1 LEU 33 -5.905 0.581 1.682 246 HD12 LEU 33 2HD1 LEU 33 -6.586 -0.964 2.190 247 HD13 LEU 33 3HD1 LEU 33 -7.568 0.172 1.260 248 HD21 LEU 33 3HD2 LEU 33 -6.876 -2.802 0.490 249 HD22 LEU 33 1HD2 LEU 33 -6.754 -2.381 -1.206 250 HD23 LEU 33 2HD2 LEU 33 -8.045 -1.679 -0.220 251 H ILE 34 H ILE 34 -4.452 -2.309 -2.982 252 HA ILE 34 HA ILE 34 -6.529 -2.873 -4.929 253 HB ILE 34 HB ILE 34 -3.910 -4.262 -4.324 254 HG12 ILE 34 2HG1 ILE 34 -3.566 -2.071 -5.337 255 HG13 ILE 34 1HG1 ILE 34 -3.152 -3.340 -6.484 256 HG21 ILE 34 1HG2 ILE 34 -5.857 -4.815 -6.548 257 HG22 ILE 34 2HG2 ILE 34 -5.480 -5.877 -5.190 258 HG23 ILE 34 3HG2 ILE 34 -4.241 -5.504 -6.396 259 HD11 ILE 34 3HD1 ILE 34 -4.321 -1.535 -7.590 260 HD12 ILE 34 1HD1 ILE 34 -5.679 -1.685 -6.476 261 HD13 ILE 34 2HD1 ILE 34 -5.320 -2.987 -7.606 262 H SER 35 H SER 35 -5.138 -4.202 -1.943 263 HA SER 35 HA SER 35 -7.622 -5.496 -1.405 264 HG SER 35 HG SER 35 -6.532 -8.904 -1.345 265 HB2 SER 35 2HB SER 35 -6.574 -7.123 -2.961 266 HB3 SER 35 1HB SER 35 -5.205 -7.257 -1.862 267 H LYS 36 H LYS 36 -7.873 -5.978 0.714 268 HA LYS 36 HA LYS 36 -5.688 -5.336 2.555 269 HB2 LYS 36 2HB LYS 36 -8.691 -5.564 2.906 270 HB3 LYS 36 1HB LYS 36 -7.588 -5.449 4.270 271 HG2 LYS 36 2HG LYS 36 -6.887 -3.275 3.621 272 HG3 LYS 36 1HG LYS 36 -7.736 -3.361 2.097 273 HD2 LYS 36 2HD LYS 36 -9.874 -3.439 3.315 274 HD3 LYS 36 1HD LYS 36 -8.986 -3.314 4.839 275 HE2 LYS 36 2HE LYS 36 -8.100 -1.169 4.203 276 HE3 LYS 36 1HE LYS 36 -8.815 -1.308 2.604 277 HZ1 LYS 36 3HZ LYS 36 -10.958 -1.111 3.511 278 HZ2 LYS 36 1HZ LYS 36 -10.009 0.136 4.082 279 HZ3 LYS 36 2HZ LYS 36 -10.390 -1.148 5.121 280 H GLU 37 H GLU 37 -6.701 -7.835 0.889 281 HA GLU 37 HA GLU 37 -6.337 -9.781 3.047 282 HB2 GLU 37 2HB GLU 37 -8.633 -9.711 1.991 283 HB3 GLU 37 1HB GLU 37 -7.862 -10.131 0.471 284 HG2 GLU 37 2HG GLU 37 -8.796 -12.105 1.410 285 HG3 GLU 37 1HG GLU 37 -7.042 -12.213 1.516 286 H THR 38 H THR 38 -4.176 -10.149 2.773 287 HA THR 38 HA THR 38 -3.336 -11.058 0.097 288 HB THR 38 HB THR 38 -1.007 -10.603 0.895 289 HG1 THR 38 1HG THR 38 -1.838 -8.966 2.975 290 HG21 THR 38 3HG2 THR 38 -2.874 -8.229 1.066 291 HG22 THR 38 1HG2 THR 38 -2.198 -8.890 -0.422 292 HG23 THR 38 2HG2 THR 38 -1.137 -8.142 0.773 293 H GLY 39 H GLY 39 -4.616 -12.231 2.680 294 HA2 GLY 39 2HA GLY 39 -4.577 -14.493 3.351 295 HA3 GLY 39 1HA GLY 39 -2.865 -14.568 2.914 296 H GLU 40 H GLU 40 -2.729 -11.784 4.112 297 HA GLU 40 HA GLU 40 -2.509 -12.583 6.922 298 HB2 GLU 40 2HB GLU 40 -0.754 -10.741 5.317 299 HB3 GLU 40 1HB GLU 40 -0.639 -10.971 7.045 300 HG2 GLU 40 2HG GLU 40 -0.104 -13.348 6.649 301 HG3 GLU 40 1HG GLU 40 -0.130 -13.024 4.913 302 H ALA 41 H ALA 41 -3.001 -11.003 8.423 303 HA ALA 41 HA ALA 41 -4.458 -8.682 7.406 304 HB1 ALA 41 1HB ALA 41 -5.726 -10.080 8.979 305 HB2 ALA 41 2HB ALA 41 -5.369 -8.512 9.709 306 HB3 ALA 41 3HB ALA 41 -4.430 -9.933 10.166 307 H GLY 42 H GLY 42 -2.962 -7.200 7.049 308 HA2 GLY 42 2HA GLY 42 -1.737 -5.536 8.692 309 HA3 GLY 42 1HA GLY 42 -0.674 -6.936 8.829 310 H TRP 43 H TRP 43 -0.888 -7.887 6.281 311 HA TRP 43 HA TRP 43 0.623 -5.877 4.824 312 HD1 TRP 43 HD TRP 43 1.600 -9.013 6.911 313 HE1 TRP 43 1HE TRP 43 4.118 -8.834 7.455 314 HE3 TRP 43 3HE TRP 43 3.214 -6.752 2.624 315 HZ2 TRP 43 2HZ TRP 43 6.455 -7.874 6.236 316 HZ3 TRP 43 3HZ TRP 43 5.598 -6.239 2.393 317 HH2 TRP 43 HH TRP 43 7.186 -6.788 4.159 318 HB2 TRP 43 2HB TRP 43 0.329 -8.857 4.472 319 HB3 TRP 43 1HB TRP 43 1.096 -7.836 3.261 320 H TRP 44 H TRP 44 -0.318 -4.738 3.384 321 HA TRP 44 HA TRP 44 -2.795 -5.701 2.154 322 HD1 TRP 44 HD TRP 44 -3.694 -5.622 4.216 323 HE1 TRP 44 1HE TRP 44 -5.317 -4.733 5.975 324 HE3 TRP 44 3HE TRP 44 -3.501 -0.649 3.052 325 HZ2 TRP 44 2HZ TRP 44 -6.386 -2.256 6.784 326 HZ3 TRP 44 3HZ TRP 44 -4.872 0.914 4.373 327 HH2 TRP 44 HH TRP 44 -6.287 0.114 6.190 328 HB2 TRP 44 2HB TRP 44 -1.780 -2.905 2.682 329 HB3 TRP 44 1HB TRP 44 -3.117 -3.240 1.593 330 H LYS 45 H LYS 45 -3.064 -5.106 -0.072 331 HA LYS 45 HA LYS 45 -0.487 -5.013 -1.476 332 HB2 LYS 45 2HB LYS 45 -1.932 -7.048 -1.896 333 HB3 LYS 45 1HB LYS 45 -3.170 -5.978 -2.535 334 HG2 LYS 45 2HG LYS 45 -1.587 -5.241 -4.283 335 HG3 LYS 45 1HG LYS 45 -0.411 -6.401 -3.671 336 HD2 LYS 45 2HD LYS 45 -2.020 -8.221 -4.131 337 HD3 LYS 45 1HD LYS 45 -3.134 -7.035 -4.815 338 HE2 LYS 45 2HE LYS 45 -1.381 -6.405 -6.451 339 HE3 LYS 45 1HE LYS 45 -0.365 -7.695 -5.815 340 HZ1 LYS 45 3HZ LYS 45 -2.161 -9.277 -6.491 341 HZ2 LYS 45 1HZ LYS 45 -1.468 -8.419 -7.775 342 HZ3 LYS 45 2HZ LYS 45 -2.967 -7.970 -7.207 343 H GLY 46 H GLY 46 -0.120 -3.294 -2.706 344 HA2 GLY 46 2HA GLY 46 -2.354 -1.530 -3.357 345 HA3 GLY 46 1HA GLY 46 -0.971 -0.870 -2.493 346 H GLU 47 H GLU 47 -1.803 0.031 -4.969 347 HA GLU 47 HA GLU 47 0.404 -0.885 -6.647 348 HB2 GLU 47 2HB GLU 47 -1.800 -1.698 -7.420 349 HB3 GLU 47 1HB GLU 47 -2.366 -0.048 -7.504 350 HG2 GLU 47 2HG GLU 47 0.019 -0.763 -9.112 351 HG3 GLU 47 1HG GLU 47 -1.549 -1.384 -9.628 352 H LEU 48 H LEU 48 1.674 0.575 -7.483 353 HA LEU 48 HA LEU 48 0.965 3.404 -7.461 354 HG LEU 48 HG LEU 48 3.965 4.372 -7.530 355 HB2 LEU 48 2HB LEU 48 2.246 3.072 -5.428 356 HB3 LEU 48 1HB LEU 48 3.504 2.220 -6.309 357 HD11 LEU 48 1HD1 LEU 48 1.842 5.475 -7.201 358 HD12 LEU 48 2HD1 LEU 48 3.154 6.454 -6.547 359 HD13 LEU 48 3HD1 LEU 48 2.117 5.532 -5.460 360 HD21 LEU 48 3HD2 LEU 48 4.258 4.498 -4.532 361 HD22 LEU 48 1HD2 LEU 48 5.221 5.383 -5.706 362 HD23 LEU 48 2HD2 LEU 48 5.340 3.624 -5.613 363 H ASN 49 H ASN 49 1.248 4.102 -9.445 364 HA ASN 49 HA ASN 49 2.165 4.630 -11.467 365 HB2 ASN 49 2HB ASN 49 4.609 3.135 -10.497 366 HB3 ASN 49 1HB ASN 49 4.540 4.105 -11.955 367 HD21 ASN 49 1HD2 ASN 49 2.917 6.226 -10.670 368 HD22 ASN 49 2HD2 ASN 49 4.008 7.031 -9.627 369 H GLY 50 H GLY 50 0.976 1.822 -10.759 370 HA2 GLY 50 2HA GLY 50 0.146 0.416 -12.467 371 HA3 GLY 50 1HA GLY 50 1.626 0.691 -13.382 372 H LYS 51 H LYS 51 2.761 0.403 -10.402 373 HA LYS 51 HA LYS 51 3.182 -2.461 -10.745 374 HB2 LYS 51 2HB LYS 51 4.834 -0.408 -9.258 375 HB3 LYS 51 1HB LYS 51 5.137 -2.133 -9.205 376 HG2 LYS 51 2HG LYS 51 6.672 -1.272 -10.719 377 HG3 LYS 51 1HG LYS 51 5.442 -2.046 -11.696 378 HD2 LYS 51 2HD LYS 51 4.379 0.127 -12.123 379 HD3 LYS 51 1HD LYS 51 5.632 0.925 -11.174 380 HE2 LYS 51 2HE LYS 51 6.060 1.099 -13.575 381 HE3 LYS 51 1HE LYS 51 7.319 0.191 -12.745 382 HZ1 LYS 51 3HZ LYS 51 6.573 -0.768 -14.877 383 HZ2 LYS 51 1HZ LYS 51 5.069 -1.108 -14.216 384 HZ3 LYS 51 2HZ LYS 51 6.480 -1.842 -13.616 385 H GLU 52 H GLU 52 2.578 -3.791 -9.246 386 HA GLU 52 HA GLU 52 1.384 -2.621 -6.849 387 HB2 GLU 52 2HB GLU 52 -0.377 -4.386 -6.928 388 HB3 GLU 52 1HB GLU 52 -0.493 -3.197 -8.206 389 HG2 GLU 52 2HG GLU 52 0.737 -4.859 -9.657 390 HG3 GLU 52 1HG GLU 52 0.439 -6.038 -8.380 391 H GLY 53 H GLY 53 1.735 -3.501 -4.993 392 HA2 GLY 53 2HA GLY 53 2.935 -6.106 -4.836 393 HA3 GLY 53 1HA GLY 53 3.983 -4.772 -4.373 394 H VAL 54 H VAL 54 3.927 -5.904 -2.349 395 HA VAL 54 HA VAL 54 1.510 -5.261 -0.810 396 HB VAL 54 HB VAL 54 2.123 -7.088 0.778 397 HG11 VAL 54 1HG1 VAL 54 1.366 -8.944 -0.647 398 HG12 VAL 54 2HG1 VAL 54 1.637 -7.935 -2.070 399 HG13 VAL 54 3HG1 VAL 54 0.418 -7.477 -0.885 400 HG21 VAL 54 3HG2 VAL 54 4.511 -7.263 0.257 401 HG22 VAL 54 1HG2 VAL 54 4.118 -7.857 -1.357 402 HG23 VAL 54 2HG2 VAL 54 3.705 -8.823 0.064 403 H PHE 55 H PHE 55 1.744 -4.638 1.336 404 HA PHE 55 HA PHE 55 4.322 -3.831 2.318 405 HD1 PHE 55 1HD PHE 55 1.475 -2.288 -0.347 406 HD2 PHE 55 2HD PHE 55 1.857 -0.559 3.522 407 HE1 PHE 55 1HE PHE 55 -0.794 -1.366 -0.532 408 HE2 PHE 55 2HE PHE 55 -0.416 0.357 3.337 409 HZ PHE 55 HZ PHE 55 -1.741 -0.045 1.305 410 HB2 PHE 55 2HB PHE 55 3.812 -1.433 2.375 411 HB3 PHE 55 1HB PHE 55 3.665 -2.060 0.731 412 HA PRO 56 HA PRO 56 1.765 -4.349 6.008 413 HB2 PRO 56 2HB PRO 56 3.624 -2.719 7.556 414 HB3 PRO 56 1HB PRO 56 3.345 -4.457 7.653 415 HG2 PRO 56 2HG PRO 56 5.655 -3.387 6.697 416 HG3 PRO 56 1HG PRO 56 5.014 -4.949 6.158 417 HD2 PRO 56 2HD PRO 56 4.861 -2.273 4.827 418 HD3 PRO 56 1HD PRO 56 5.166 -3.878 4.121 419 H ASP 57 H ASP 57 0.099 -3.171 6.817 420 HA ASP 57 HA ASP 57 -0.411 -0.579 5.767 421 HB2 ASP 57 2HB ASP 57 -2.534 -0.634 6.770 422 HB3 ASP 57 1HB ASP 57 -2.168 -2.339 6.581 423 H ASN 58 H ASN 58 1.278 -1.573 8.548 424 HA ASN 58 HA ASN 58 1.126 0.426 10.349 425 HB2 ASN 58 2HB ASN 58 2.437 -1.722 10.320 426 HB3 ASN 58 1HB ASN 58 3.645 -0.867 9.370 427 HD21 ASN 58 1HD2 ASN 58 2.108 -1.202 12.370 428 HD22 ASN 58 2HD2 ASN 58 3.231 -0.284 13.287 429 H PHE 59 H PHE 59 2.582 0.479 7.166 430 HA PHE 59 HA PHE 59 4.041 2.937 7.705 431 HD1 PHE 59 1HD PHE 59 4.490 -0.675 7.150 432 HD2 PHE 59 2HD PHE 59 7.116 2.544 6.253 433 HE1 PHE 59 1HE PHE 59 6.348 -1.894 8.207 434 HE2 PHE 59 2HE PHE 59 8.968 1.338 7.309 435 HZ PHE 59 HZ PHE 59 8.590 -0.882 8.287 436 HB2 PHE 59 2HB PHE 59 4.024 1.085 5.319 437 HB3 PHE 59 1HB PHE 59 4.953 2.576 5.388 438 H ALA 60 H ALA 60 0.890 2.331 6.846 439 HA ALA 60 HA ALA 60 0.756 4.784 5.282 440 HB1 ALA 60 1HB ALA 60 0.992 2.978 3.635 441 HB2 ALA 60 2HB ALA 60 -0.561 3.806 3.515 442 HB3 ALA 60 3HB ALA 60 -0.467 2.222 4.283 443 H VAL 61 H VAL 61 -1.188 5.806 5.289 444 HA VAL 61 HA VAL 61 -3.212 4.728 7.121 445 HB VAL 61 HB VAL 61 -2.056 6.719 8.053 446 HG11 VAL 61 1HG1 VAL 61 -2.357 8.944 7.069 447 HG12 VAL 61 2HG1 VAL 61 -3.119 8.205 5.662 448 HG13 VAL 61 3HG1 VAL 61 -1.425 7.869 6.025 449 HG21 VAL 61 3HG2 VAL 61 -4.909 7.268 7.282 450 HG22 VAL 61 1HG2 VAL 61 -4.036 8.061 8.589 451 HG23 VAL 61 2HG2 VAL 61 -4.376 6.330 8.675 452 H GLN 62 H GLN 62 -5.284 4.627 6.334 453 HA GLN 62 HA GLN 62 -5.537 5.017 3.504 454 HB2 GLN 62 2HB GLN 62 -6.545 3.056 4.749 455 HB3 GLN 62 1HB GLN 62 -7.718 4.183 5.413 456 HG2 GLN 62 2HG GLN 62 -8.552 4.696 3.216 457 HG3 GLN 62 1HG GLN 62 -7.310 3.698 2.474 458 HE21 GLN 62 1HE2 GLN 62 -10.167 3.513 2.210 459 HE22 GLN 62 2HE2 GLN 62 -10.560 1.903 2.664 460 H ILE 63 H ILE 63 -6.444 6.630 2.480 461 HA ILE 63 HA ILE 63 -7.145 9.005 3.970 462 HB ILE 63 HB ILE 63 -7.105 8.490 0.982 463 HG12 ILE 63 2HG1 ILE 63 -4.890 8.144 1.917 464 HG13 ILE 63 1HG1 ILE 63 -4.915 9.623 0.967 465 HG21 ILE 63 1HG2 ILE 63 -8.475 10.397 1.525 466 HG22 ILE 63 2HG2 ILE 63 -6.986 10.930 0.745 467 HG23 ILE 63 3HG2 ILE 63 -7.177 11.096 2.491 468 HD11 ILE 63 3HD1 ILE 63 -5.083 10.925 3.056 469 HD12 ILE 63 1HD1 ILE 63 -3.622 9.938 2.997 470 HD13 ILE 63 2HD1 ILE 63 -4.993 9.425 3.977 471 H SER 64 H SER 64 -8.661 7.086 1.364 472 HA SER 64 HA SER 64 -11.188 7.192 2.643 473 HG SER 64 HG SER 64 -10.744 9.472 2.149 474 HB2 SER 64 2HB SER 64 -10.645 8.153 -0.178 475 HB3 SER 64 1HB SER 64 -12.225 7.949 0.572 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -11.612 -7.775 3.929 2 H2 GLY 1 2HT GLY 1 -10.038 -8.226 3.643 3 H3 GLY 1 3HT GLY 1 -11.261 -9.383 3.603 4 HA2 GLY 1 1HA GLY 1 -10.573 -8.792 1.355 5 HA3 GLY 1 2HA GLY 1 -12.244 -8.322 1.672 6 H ALA 2 H ALA 2 -12.770 -6.329 1.081 7 HA ALA 2 HA ALA 2 -11.420 -4.036 1.828 8 HB1 ALA 2 1HB ALA 2 -9.856 -4.493 0.041 9 HB2 ALA 2 2HB ALA 2 -10.890 -3.158 -0.476 10 HB3 ALA 2 3HB ALA 2 -11.163 -4.788 -1.114 11 H MET 3 H MET 3 -12.726 -2.117 0.948 12 HA MET 3 HA MET 3 -15.428 -3.099 0.371 13 HB2 MET 3 2HB MET 3 -16.417 -1.683 2.120 14 HB3 MET 3 1HB MET 3 -15.357 -2.915 2.777 15 HG2 MET 3 2HG MET 3 -13.586 -1.165 2.982 16 HG3 MET 3 1HG MET 3 -14.790 0.021 2.491 17 HE1 MET 3 3HE MET 3 -14.316 0.605 6.380 18 HE2 MET 3 1HE MET 3 -14.263 1.378 4.796 19 HE3 MET 3 2HE MET 3 -13.093 0.123 5.207 20 H GLY 4 H GLY 4 -13.195 -1.427 -0.881 21 HA2 GLY 4 2HA GLY 4 -15.121 0.248 -2.208 22 HA3 GLY 4 1HA GLY 4 -13.761 1.065 -1.442 23 H ALA 5 H ALA 5 -14.636 0.531 -4.282 24 HA ALA 5 HA ALA 5 -12.444 -0.926 -5.400 25 HB1 ALA 5 1HB ALA 5 -14.576 -0.727 -6.613 26 HB2 ALA 5 2HB ALA 5 -13.258 -0.028 -7.555 27 HB3 ALA 5 3HB ALA 5 -14.373 1.022 -6.681 28 H LYS 6 H LYS 6 -13.242 2.318 -4.580 29 HA LYS 6 HA LYS 6 -10.579 3.165 -5.409 30 HB2 LYS 6 2HB LYS 6 -13.037 4.879 -4.979 31 HB3 LYS 6 1HB LYS 6 -11.443 5.469 -5.419 32 HG2 LYS 6 2HG LYS 6 -11.568 4.278 -7.545 33 HG3 LYS 6 1HG LYS 6 -13.143 3.627 -7.094 34 HD2 LYS 6 2HD LYS 6 -13.435 5.515 -8.594 35 HD3 LYS 6 1HD LYS 6 -14.033 5.935 -6.990 36 HE2 LYS 6 2HE LYS 6 -11.948 7.139 -6.535 37 HE3 LYS 6 1HE LYS 6 -11.345 6.703 -8.131 38 HZ1 LYS 6 3HZ LYS 6 -13.693 8.415 -7.547 39 HZ2 LYS 6 1HZ LYS 6 -13.202 7.931 -9.086 40 HZ3 LYS 6 2HZ LYS 6 -12.210 8.911 -8.170 41 H GLU 7 H GLU 7 -9.885 2.123 -3.416 42 HA GLU 7 HA GLU 7 -10.220 3.937 -1.157 43 HB2 GLU 7 2HB GLU 7 -9.201 1.052 -1.188 44 HB3 GLU 7 1HB GLU 7 -9.181 2.079 0.237 45 HG2 GLU 7 2HG GLU 7 -11.700 2.218 0.031 46 HG3 GLU 7 1HG GLU 7 -11.585 1.001 -1.231 47 H TYR 8 H TYR 8 -8.526 5.269 -0.738 48 HA TYR 8 HA TYR 8 -6.004 4.625 -2.117 49 HD1 TYR 8 1HD TYR 8 -9.157 7.188 -2.183 50 HD2 TYR 8 2HD TYR 8 -5.639 6.944 -4.537 51 HE1 TYR 8 1HE TYR 8 -10.456 7.825 -4.165 52 HE2 TYR 8 2HE TYR 8 -6.926 7.570 -6.538 53 HH TYR 8 HH TYR 8 -9.158 7.620 -7.320 54 HB2 TYR 8 2HB TYR 8 -6.812 7.380 -1.196 55 HB3 TYR 8 1HB TYR 8 -5.474 6.930 -2.198 56 H CYS 9 H CYS 9 -4.216 4.649 -0.912 57 HA CYS 9 HA CYS 9 -4.540 5.391 1.881 58 HG CYS 9 HG CYS 9 -3.215 2.969 -0.895 59 HB2 CYS 9 2HB CYS 9 -2.889 3.530 2.394 60 HB3 CYS 9 1HB CYS 9 -4.500 3.028 1.895 61 H ARG 10 H ARG 10 -3.030 6.650 2.721 62 HA ARG 10 HA ARG 10 -0.957 7.644 0.887 63 HE ARG 10 HE ARG 10 -1.870 11.937 1.389 64 HB2 ARG 10 2HB ARG 10 -2.483 9.338 1.818 65 HB3 ARG 10 1HB ARG 10 -2.044 8.837 3.445 66 HG2 ARG 10 2HG ARG 10 0.299 9.507 2.967 67 HG3 ARG 10 1HG ARG 10 -0.237 10.133 1.410 68 HD2 ARG 10 2HD ARG 10 -1.290 11.011 4.081 69 HD3 ARG 10 1HD ARG 10 -0.058 11.882 3.169 70 HH11 ARG 10 1HH1 ARG 10 -2.390 12.236 4.883 71 HH12 ARG 10 2HH1 ARG 10 -3.829 13.120 4.762 72 HH21 ARG 10 1HH2 ARG 10 -3.819 13.263 1.201 73 HH22 ARG 10 2HH2 ARG 10 -4.638 13.771 2.599 74 H THR 11 H THR 11 1.146 7.400 1.371 75 HA THR 11 HA THR 11 1.759 5.607 3.508 76 HB THR 11 HB THR 11 4.054 5.646 2.579 77 HG1 THR 11 1HG THR 11 4.528 6.935 0.877 78 HG21 THR 11 3HG2 THR 11 2.372 4.142 1.645 79 HG22 THR 11 1HG2 THR 11 3.482 4.705 0.396 80 HG23 THR 11 2HG2 THR 11 1.868 5.402 0.519 81 H LEU 12 H LEU 12 2.577 6.059 5.408 82 HA LEU 12 HA LEU 12 2.995 8.868 6.146 83 HG LEU 12 HG LEU 12 0.606 6.742 6.812 84 HB2 LEU 12 2HB LEU 12 2.772 6.411 7.881 85 HB3 LEU 12 1HB LEU 12 2.776 8.071 8.429 86 HD11 LEU 12 1HD1 LEU 12 -0.720 7.026 8.860 87 HD12 LEU 12 2HD1 LEU 12 0.714 7.630 9.689 88 HD13 LEU 12 3HD1 LEU 12 0.672 5.970 9.098 89 HD21 LEU 12 3HD2 LEU 12 0.767 9.536 7.947 90 HD22 LEU 12 1HD2 LEU 12 -0.650 8.817 7.188 91 HD23 LEU 12 2HD2 LEU 12 0.801 9.106 6.235 92 H PHE 13 H PHE 13 4.650 5.997 5.449 93 HA PHE 13 HA PHE 13 7.199 7.097 6.357 94 HD1 PHE 13 1HD PHE 13 8.258 6.284 9.148 95 HD2 PHE 13 2HD PHE 13 4.387 4.743 8.330 96 HE1 PHE 13 1HE PHE 13 7.558 6.838 11.434 97 HE2 PHE 13 2HE PHE 13 3.678 5.298 10.610 98 HZ PHE 13 HZ PHE 13 5.270 6.345 12.169 99 HB2 PHE 13 2HB PHE 13 6.222 4.271 6.899 100 HB3 PHE 13 1HB PHE 13 7.850 4.846 7.218 101 HA PRO 14 HA PRO 14 8.170 5.208 2.412 102 HB2 PRO 14 2HB PRO 14 10.870 5.238 2.524 103 HB3 PRO 14 1HB PRO 14 9.933 6.714 2.285 104 HG2 PRO 14 2HG PRO 14 11.288 5.709 4.738 105 HG3 PRO 14 1HG PRO 14 11.068 7.373 4.177 106 HD2 PRO 14 2HD PRO 14 9.546 6.102 6.134 107 HD3 PRO 14 1HD PRO 14 9.077 7.575 5.261 108 H TYR 15 H TYR 15 8.624 3.121 1.698 109 HA TYR 15 HA TYR 15 9.622 1.282 3.746 110 HD1 TYR 15 2HD TYR 15 8.626 -0.514 5.150 111 HD2 TYR 15 1HD TYR 15 7.289 -1.507 1.241 112 HE1 TYR 15 2HE TYR 15 8.887 -2.878 5.680 113 HE2 TYR 15 1HE TYR 15 7.551 -3.905 1.762 114 HH TYR 15 HH TYR 15 8.766 -5.328 3.307 115 HB2 TYR 15 2HB TYR 15 7.178 1.066 3.639 116 HB3 TYR 15 1HB TYR 15 7.284 0.730 1.917 117 H THR 16 H THR 16 11.120 -0.029 3.112 118 HA THR 16 HA THR 16 11.849 -0.041 0.307 119 HB THR 16 HB THR 16 13.398 -0.908 2.763 120 HG1 THR 16 1HG THR 16 13.051 1.326 2.765 121 HG21 THR 16 3HG2 THR 16 14.156 -2.006 0.707 122 HG22 THR 16 1HG2 THR 16 15.346 -0.818 1.243 123 HG23 THR 16 2HG2 THR 16 14.258 -0.441 -0.098 124 H GLY 17 H GLY 17 10.998 -1.771 -0.787 125 HA2 GLY 17 2HA GLY 17 10.266 -4.166 0.592 126 HA3 GLY 17 1HA GLY 17 10.189 -3.863 -1.148 127 H THR 18 H THR 18 11.276 -6.194 0.353 128 HA THR 18 HA THR 18 14.117 -5.925 -0.173 129 HB THR 18 HB THR 18 14.116 -8.308 0.873 130 HG1 THR 18 1HG THR 18 11.479 -7.936 0.855 131 HG21 THR 18 3HG2 THR 18 13.341 -5.923 2.544 132 HG22 THR 18 1HG2 THR 18 14.977 -6.340 2.037 133 HG23 THR 18 2HG2 THR 18 14.109 -7.390 3.158 134 H ASN 19 H ASN 19 11.247 -7.558 -1.092 135 HA ASN 19 HA ASN 19 12.612 -8.847 -3.322 136 HB2 ASN 19 2HB ASN 19 9.826 -9.248 -2.227 137 HB3 ASN 19 1HB ASN 19 10.565 -10.162 -3.524 138 HD21 ASN 19 1HD2 ASN 19 10.185 -9.752 -0.211 139 HD22 ASN 19 2HD2 ASN 19 11.139 -11.098 0.327 140 H GLU 20 H GLU 20 10.875 -8.943 -5.200 141 HA GLU 20 HA GLU 20 10.045 -6.200 -5.694 142 HB2 GLU 20 2HB GLU 20 9.701 -6.952 -8.017 143 HB3 GLU 20 1HB GLU 20 11.332 -7.277 -7.450 144 HG2 GLU 20 2HG GLU 20 10.726 -9.626 -7.098 145 HG3 GLU 20 1HG GLU 20 9.096 -9.274 -7.666 146 H ASP 21 H ASP 21 8.786 -8.519 -4.054 147 HA ASP 21 HA ASP 21 6.108 -8.561 -5.194 148 HB2 ASP 21 2HB ASP 21 7.009 -10.676 -4.314 149 HB3 ASP 21 1HB ASP 21 7.234 -9.925 -2.736 150 H GLU 22 H GLU 22 7.992 -7.346 -2.550 151 HA GLU 22 HA GLU 22 5.819 -5.974 -1.341 152 HB2 GLU 22 2HB GLU 22 8.786 -5.541 -1.140 153 HB3 GLU 22 1HB GLU 22 7.595 -4.668 -0.193 154 HG2 GLU 22 2HG GLU 22 8.303 -6.240 1.276 155 HG3 GLU 22 1HG GLU 22 6.932 -7.082 0.539 156 H LEU 23 H LEU 23 5.611 -3.717 -1.351 157 HA LEU 23 HA LEU 23 6.358 -2.562 -3.944 158 HG LEU 23 HG LEU 23 4.273 -1.428 -5.043 159 HB2 LEU 23 2HB LEU 23 3.927 -2.752 -3.021 160 HB3 LEU 23 1HB LEU 23 4.363 -1.389 -2.015 161 HD11 LEU 23 1HD1 LEU 23 2.476 -0.112 -3.035 162 HD12 LEU 23 2HD1 LEU 23 2.083 -1.501 -4.051 163 HD13 LEU 23 3HD1 LEU 23 2.372 0.076 -4.787 164 HD21 LEU 23 3HD2 LEU 23 5.997 0.121 -4.163 165 HD22 LEU 23 1HD2 LEU 23 4.757 0.929 -3.214 166 HD23 LEU 23 2HD2 LEU 23 4.684 0.959 -4.980 167 H THR 24 H THR 24 8.127 -1.343 -3.826 168 HA THR 24 HA THR 24 8.992 -0.184 -1.326 169 HB THR 24 HB THR 24 10.139 0.034 -4.126 170 HG1 THR 24 1HG THR 24 10.430 -1.992 -3.680 171 HG21 THR 24 3HG2 THR 24 11.374 0.654 -1.433 172 HG22 THR 24 1HG2 THR 24 10.944 1.827 -2.671 173 HG23 THR 24 2HG2 THR 24 12.241 0.670 -2.970 174 H PHE 25 H PHE 25 8.327 1.770 -0.700 175 HA PHE 25 HA PHE 25 7.634 3.697 -2.746 176 HD1 PHE 25 1HD PHE 25 6.173 4.359 1.079 177 HD2 PHE 25 2HD PHE 25 4.757 1.016 -1.128 178 HE1 PHE 25 1HE PHE 25 5.361 3.327 3.156 179 HE2 PHE 25 2HE PHE 25 3.957 -0.015 0.933 180 HZ PHE 25 HZ PHE 25 4.250 1.132 3.082 181 HB2 PHE 25 2HB PHE 25 5.614 4.416 -1.442 182 HB3 PHE 25 1HB PHE 25 5.487 2.879 -2.274 183 H ARG 26 H ARG 26 7.370 5.861 -2.027 184 HA ARG 26 HA ARG 26 9.311 6.606 -0.020 185 HE ARG 26 HE ARG 26 7.474 9.875 -2.874 186 HB2 ARG 26 2HB ARG 26 9.453 7.447 -2.328 187 HB3 ARG 26 1HB ARG 26 7.807 8.041 -2.209 188 HG2 ARG 26 2HG ARG 26 8.495 9.630 -0.574 189 HG3 ARG 26 1HG ARG 26 10.165 9.028 -0.665 190 HD2 ARG 26 2HD ARG 26 9.804 11.075 -2.058 191 HD3 ARG 26 1HD ARG 26 10.308 9.674 -3.004 192 HH11 ARG 26 1HH1 ARG 26 10.219 11.398 -4.509 193 HH12 ARG 26 2HH1 ARG 26 9.334 11.771 -5.904 194 HH21 ARG 26 1HH2 ARG 26 6.305 10.338 -4.712 195 HH22 ARG 26 2HH2 ARG 26 7.024 11.161 -6.041 196 H GLU 27 H GLU 27 8.521 8.583 1.287 197 HA GLU 27 HA GLU 27 5.950 8.035 2.484 198 HB2 GLU 27 2HB GLU 27 7.979 8.653 3.771 199 HB3 GLU 27 1HB GLU 27 7.965 10.221 2.988 200 HG2 GLU 27 2HG GLU 27 5.771 10.673 4.016 201 HG3 GLU 27 1HG GLU 27 5.885 9.127 4.858 202 H GLY 28 H GLY 28 4.111 9.255 2.175 203 HA2 GLY 28 2HA GLY 28 2.880 11.176 1.617 204 HA3 GLY 28 1HA GLY 28 4.309 11.839 0.836 205 H GLU 29 H GLU 29 3.284 8.605 0.190 206 HA GLU 29 HA GLU 29 2.638 9.409 -2.556 207 HB2 GLU 29 2HB GLU 29 3.247 6.681 -1.412 208 HB3 GLU 29 1HB GLU 29 2.985 7.051 -3.107 209 HG2 GLU 29 2HG GLU 29 5.246 8.077 -1.416 210 HG3 GLU 29 1HG GLU 29 5.337 6.738 -2.556 211 H ILE 30 H ILE 30 0.722 8.688 -3.483 212 HA ILE 30 HA ILE 30 -1.286 7.707 -1.606 213 HB ILE 30 HB ILE 30 -1.646 9.075 -4.300 214 HG12 ILE 30 2HG1 ILE 30 -0.919 10.658 -2.554 215 HG13 ILE 30 1HG1 ILE 30 -2.582 10.946 -3.048 216 HG21 ILE 30 1HG2 ILE 30 -3.722 8.182 -2.302 217 HG22 ILE 30 2HG2 ILE 30 -3.409 7.453 -3.876 218 HG23 ILE 30 3HG2 ILE 30 -4.046 9.096 -3.776 219 HD11 ILE 30 3HD1 ILE 30 -2.337 11.185 -0.645 220 HD12 ILE 30 1HD1 ILE 30 -1.698 9.544 -0.529 221 HD13 ILE 30 2HD1 ILE 30 -3.369 9.808 -1.024 222 H ILE 31 H ILE 31 -1.562 5.666 -1.742 223 HA ILE 31 HA ILE 31 -0.832 4.240 -4.199 224 HB ILE 31 HB ILE 31 -1.199 3.194 -1.366 225 HG12 ILE 31 2HG1 ILE 31 1.300 3.560 -3.032 226 HG13 ILE 31 1HG1 ILE 31 0.847 4.499 -1.617 227 HG21 ILE 31 1HG2 ILE 31 -1.850 1.489 -2.969 228 HG22 ILE 31 2HG2 ILE 31 -0.327 1.049 -2.191 229 HG23 ILE 31 3HG2 ILE 31 -0.325 1.687 -3.833 230 HD11 ILE 31 3HD1 ILE 31 1.512 1.561 -1.654 231 HD12 ILE 31 1HD1 ILE 31 1.054 2.493 -0.229 232 HD13 ILE 31 2HD1 ILE 31 2.555 2.861 -1.077 233 H HIS 32 H HIS 32 -2.313 3.019 -5.243 234 HA HIS 32 HA HIS 32 -5.098 3.461 -4.521 235 HD1 HIS 32 1HD HIS 32 -2.932 3.274 -8.738 236 HD2 HIS 32 2HD HIS 32 -5.431 5.539 -6.293 237 HE1 HIS 32 1HE HIS 32 -2.741 5.636 -9.530 238 HB2 HIS 32 2HB HIS 32 -3.961 1.923 -6.884 239 HB3 HIS 32 1HB HIS 32 -5.623 2.448 -6.684 240 H LEU 33 H LEU 33 -5.808 2.129 -3.045 241 HA LEU 33 HA LEU 33 -4.470 -0.263 -2.382 242 HG LEU 33 HG LEU 33 -5.298 -1.095 -0.034 243 HB2 LEU 33 2HB LEU 33 -5.611 1.301 -0.809 244 HB3 LEU 33 1HB LEU 33 -7.140 0.815 -1.483 245 HD11 LEU 33 1HD1 LEU 33 -6.735 -0.702 1.907 246 HD12 LEU 33 2HD1 LEU 33 -7.624 0.522 1.003 247 HD13 LEU 33 3HD1 LEU 33 -5.928 0.782 1.406 248 HD21 LEU 33 3HD2 LEU 33 -7.142 -2.539 0.067 249 HD22 LEU 33 1HD2 LEU 33 -7.141 -1.949 -1.574 250 HD23 LEU 33 2HD2 LEU 33 -8.298 -1.287 -0.405 251 H ILE 34 H ILE 34 -4.732 -2.158 -3.217 252 HA ILE 34 HA ILE 34 -6.957 -2.645 -5.033 253 HB ILE 34 HB ILE 34 -4.305 -4.078 -4.666 254 HG12 ILE 34 2HG1 ILE 34 -5.388 -2.409 -6.953 255 HG13 ILE 34 1HG1 ILE 34 -4.072 -1.978 -5.865 256 HG21 ILE 34 1HG2 ILE 34 -6.523 -4.766 -6.588 257 HG22 ILE 34 2HG2 ILE 34 -5.954 -5.755 -5.234 258 HG23 ILE 34 3HG2 ILE 34 -4.890 -5.428 -6.611 259 HD11 ILE 34 3HD1 ILE 34 -2.699 -3.723 -6.767 260 HD12 ILE 34 1HD1 ILE 34 -3.303 -2.717 -8.081 261 HD13 ILE 34 2HD1 ILE 34 -4.026 -4.294 -7.775 262 H SER 35 H SER 35 -5.267 -4.052 -2.233 263 HA SER 35 HA SER 35 -7.747 -5.320 -1.441 264 HG SER 35 HG SER 35 -7.385 -6.431 -3.434 265 HB2 SER 35 2HB SER 35 -5.204 -6.912 -1.877 266 HB3 SER 35 1HB SER 35 -6.694 -7.527 -1.170 267 H LYS 36 H LYS 36 -7.948 -5.378 0.755 268 HA LYS 36 HA LYS 36 -5.634 -4.654 2.376 269 HB2 LYS 36 2HB LYS 36 -8.611 -4.683 2.836 270 HB3 LYS 36 1HB LYS 36 -7.497 -4.549 4.209 271 HG2 LYS 36 2HG LYS 36 -6.579 -2.516 3.215 272 HG3 LYS 36 1HG LYS 36 -7.665 -2.665 1.861 273 HD2 LYS 36 2HD LYS 36 -8.509 -2.261 4.721 274 HD3 LYS 36 1HD LYS 36 -8.413 -0.997 3.496 275 HE2 LYS 36 2HE LYS 36 -10.024 -2.393 2.135 276 HE3 LYS 36 1HE LYS 36 -10.256 -3.360 3.594 277 HZ1 LYS 36 3HZ LYS 36 -10.822 -1.171 4.707 278 HZ2 LYS 36 1HZ LYS 36 -11.936 -1.767 3.570 279 HZ3 LYS 36 2HZ LYS 36 -10.894 -0.534 3.125 280 H GLU 37 H GLU 37 -6.708 -7.194 1.014 281 HA GLU 37 HA GLU 37 -6.368 -9.051 3.227 282 HB2 GLU 37 2HB GLU 37 -8.640 -9.068 2.375 283 HB3 GLU 37 1HB GLU 37 -8.055 -9.202 0.726 284 HG2 GLU 37 2HG GLU 37 -8.936 -11.309 1.615 285 HG3 GLU 37 1HG GLU 37 -7.238 -11.406 1.149 286 H THR 38 H THR 38 -4.453 -10.014 3.019 287 HA THR 38 HA THR 38 -3.520 -10.792 0.347 288 HB THR 38 HB THR 38 -1.185 -10.424 1.187 289 HG1 THR 38 1HG THR 38 -2.049 -8.626 3.111 290 HG21 THR 38 3HG2 THR 38 -1.187 -7.982 0.886 291 HG22 THR 38 1HG2 THR 38 -2.938 -7.959 1.103 292 HG23 THR 38 2HG2 THR 38 -2.241 -8.777 -0.292 293 H GLY 39 H GLY 39 -4.624 -11.824 3.200 294 HA2 GLY 39 2HA GLY 39 -4.580 -14.089 3.894 295 HA3 GLY 39 1HA GLY 39 -2.973 -14.249 3.189 296 H GLU 40 H GLU 40 -1.824 -11.953 4.218 297 HA GLU 40 HA GLU 40 -1.459 -12.767 6.998 298 HB2 GLU 40 2HB GLU 40 0.224 -11.035 5.189 299 HB3 GLU 40 1HB GLU 40 0.579 -11.334 6.879 300 HG2 GLU 40 2HG GLU 40 0.478 -13.407 4.708 301 HG3 GLU 40 1HG GLU 40 1.931 -12.698 5.411 302 H ALA 41 H ALA 41 -2.556 -11.652 8.430 303 HA ALA 41 HA ALA 41 -3.717 -9.112 7.931 304 HB1 ALA 41 1HB ALA 41 -4.225 -9.139 10.341 305 HB2 ALA 41 2HB ALA 41 -3.218 -10.574 10.524 306 HB3 ALA 41 3HB ALA 41 -4.689 -10.644 9.550 307 H GLY 42 H GLY 42 -2.624 -7.298 7.810 308 HA2 GLY 42 2HA GLY 42 -1.148 -5.793 9.126 309 HA3 GLY 42 1HA GLY 42 -0.026 -7.155 9.173 310 H TRP 43 H TRP 43 -1.094 -7.780 6.374 311 HA TRP 43 HA TRP 43 0.619 -5.843 4.996 312 HD1 TRP 43 HD TRP 43 1.433 -9.279 6.786 313 HE1 TRP 43 1HE TRP 43 3.974 -9.372 7.261 314 HE3 TRP 43 3HE TRP 43 3.133 -6.726 2.696 315 HZ2 TRP 43 2HZ TRP 43 6.356 -8.473 6.063 316 HZ3 TRP 43 3HZ TRP 43 5.552 -6.389 2.437 317 HH2 TRP 43 HH TRP 43 7.127 -7.248 4.084 318 HB2 TRP 43 2HB TRP 43 0.114 -8.763 4.405 319 HB3 TRP 43 1HB TRP 43 0.930 -7.681 3.289 320 H TRP 44 H TRP 44 -0.250 -4.649 3.491 321 HA TRP 44 HA TRP 44 -2.874 -5.350 2.368 322 HD1 TRP 44 HD TRP 44 -3.787 -5.011 4.412 323 HE1 TRP 44 1HE TRP 44 -5.446 -3.792 5.954 324 HE3 TRP 44 3HE TRP 44 -3.115 -0.224 2.731 325 HZ2 TRP 44 2HZ TRP 44 -6.348 -1.167 6.408 326 HZ3 TRP 44 3HZ TRP 44 -4.422 1.578 3.775 327 HH2 TRP 44 HH TRP 44 -6.009 1.110 5.569 328 HB2 TRP 44 2HB TRP 44 -1.525 -2.690 2.807 329 HB3 TRP 44 1HB TRP 44 -2.803 -2.873 1.620 330 H LYS 45 H LYS 45 -3.098 -4.444 0.075 331 HA LYS 45 HA LYS 45 -0.598 -4.730 -1.410 332 HB2 LYS 45 2HB LYS 45 -1.785 -6.917 -1.222 333 HB3 LYS 45 1HB LYS 45 -3.198 -6.186 -1.936 334 HG2 LYS 45 2HG LYS 45 -2.167 -6.083 -4.069 335 HG3 LYS 45 1HG LYS 45 -0.567 -6.424 -3.385 336 HD2 LYS 45 2HD LYS 45 -1.356 -8.621 -2.632 337 HD3 LYS 45 1HD LYS 45 -2.936 -8.292 -3.325 338 HE2 LYS 45 2HE LYS 45 -0.412 -8.351 -4.960 339 HE3 LYS 45 1HE LYS 45 -1.376 -9.789 -4.640 340 HZ1 LYS 45 3HZ LYS 45 -2.082 -7.453 -6.348 341 HZ2 LYS 45 1HZ LYS 45 -3.285 -8.472 -5.657 342 HZ3 LYS 45 2HZ LYS 45 -2.084 -9.090 -6.613 343 H GLY 46 H GLY 46 -0.496 -3.197 -2.969 344 HA2 GLY 46 2HA GLY 46 -2.928 -1.963 -3.953 345 HA3 GLY 46 1HA GLY 46 -1.886 -0.936 -2.982 346 H GLU 47 H GLU 47 -2.337 -0.079 -5.373 347 HA GLU 47 HA GLU 47 -0.126 -0.899 -7.130 348 HB2 GLU 47 2HB GLU 47 -2.467 -0.970 -8.003 349 HB3 GLU 47 1HB GLU 47 -2.577 0.755 -7.712 350 HG2 GLU 47 2HG GLU 47 -0.415 0.805 -9.205 351 HG3 GLU 47 1HG GLU 47 -1.081 -0.732 -9.771 352 H LEU 48 H LEU 48 1.447 0.534 -7.465 353 HA LEU 48 HA LEU 48 0.996 3.378 -7.315 354 HG LEU 48 HG LEU 48 3.859 4.226 -6.482 355 HB2 LEU 48 2HB LEU 48 1.638 2.818 -5.001 356 HB3 LEU 48 1HB LEU 48 3.080 2.027 -5.598 357 HD11 LEU 48 1HD1 LEU 48 2.831 6.269 -5.629 358 HD12 LEU 48 2HD1 LEU 48 1.522 5.312 -4.933 359 HD13 LEU 48 3HD1 LEU 48 1.743 5.369 -6.682 360 HD21 LEU 48 3HD2 LEU 48 3.333 4.068 -3.518 361 HD22 LEU 48 1HD2 LEU 48 4.511 5.124 -4.298 362 HD23 LEU 48 2HD2 LEU 48 4.701 3.376 -4.386 363 H ASN 49 H ASN 49 2.051 4.273 -8.952 364 HA ASN 49 HA ASN 49 3.499 4.704 -10.624 365 HB2 ASN 49 2HB ASN 49 5.382 2.976 -8.998 366 HB3 ASN 49 1HB ASN 49 5.866 3.833 -10.454 367 HD21 ASN 49 1HD2 ASN 49 6.882 4.151 -7.751 368 HD22 ASN 49 2HD2 ASN 49 6.592 5.799 -7.349 369 H GLY 50 H GLY 50 1.772 2.270 -10.609 370 HA2 GLY 50 2HA GLY 50 1.191 1.018 -12.515 371 HA3 GLY 50 1HA GLY 50 2.834 1.202 -13.107 372 H LYS 51 H LYS 51 3.011 0.307 -9.905 373 HA LYS 51 HA LYS 51 3.174 -2.544 -10.633 374 HB2 LYS 51 2HB LYS 51 4.728 -1.107 -8.464 375 HB3 LYS 51 1HB LYS 51 4.826 -2.816 -8.824 376 HG2 LYS 51 2HG LYS 51 6.777 -1.913 -9.705 377 HG3 LYS 51 1HG LYS 51 5.727 -2.064 -11.112 378 HD2 LYS 51 2HD LYS 51 5.158 0.290 -10.967 379 HD3 LYS 51 1HD LYS 51 6.125 0.453 -9.503 380 HE2 LYS 51 2HE LYS 51 8.123 -0.140 -10.747 381 HE3 LYS 51 1HE LYS 51 7.167 -0.340 -12.209 382 HZ1 LYS 51 3HZ LYS 51 7.622 2.193 -10.716 383 HZ2 LYS 51 1HZ LYS 51 6.564 2.031 -12.039 384 HZ3 LYS 51 2HZ LYS 51 8.217 1.773 -12.220 385 H GLU 52 H GLU 52 2.374 -3.989 -9.078 386 HA GLU 52 HA GLU 52 1.096 -2.738 -6.795 387 HB2 GLU 52 2HB GLU 52 -0.557 -4.607 -6.817 388 HB3 GLU 52 1HB GLU 52 -0.786 -3.505 -8.150 389 HG2 GLU 52 2HG GLU 52 0.314 -5.108 -9.635 390 HG3 GLU 52 1HG GLU 52 0.618 -6.172 -8.259 391 H GLY 53 H GLY 53 1.380 -3.744 -4.865 392 HA2 GLY 53 2HA GLY 53 2.724 -6.275 -4.731 393 HA3 GLY 53 1HA GLY 53 3.737 -4.899 -4.301 394 H VAL 54 H VAL 54 3.735 -6.158 -2.276 395 HA VAL 54 HA VAL 54 1.380 -5.478 -0.668 396 HB VAL 54 HB VAL 54 2.006 -7.325 0.865 397 HG11 VAL 54 1HG1 VAL 54 1.640 -8.188 -1.992 398 HG12 VAL 54 2HG1 VAL 54 0.363 -7.749 -0.857 399 HG13 VAL 54 3HG1 VAL 54 1.341 -9.189 -0.572 400 HG21 VAL 54 3HG2 VAL 54 4.409 -7.431 0.410 401 HG22 VAL 54 1HG2 VAL 54 4.083 -8.012 -1.221 402 HG23 VAL 54 2HG2 VAL 54 3.659 -9.008 0.170 403 H PHE 55 H PHE 55 1.721 -4.797 1.446 404 HA PHE 55 HA PHE 55 4.354 -4.076 2.316 405 HD1 PHE 55 1HD PHE 55 1.864 -2.345 -0.575 406 HD2 PHE 55 2HD PHE 55 1.807 -0.804 3.398 407 HE1 PHE 55 1HE PHE 55 -0.327 -1.324 -1.006 408 HE2 PHE 55 2HE PHE 55 -0.390 0.214 2.968 409 HZ PHE 55 HZ PHE 55 -1.458 -0.045 0.764 410 HB2 PHE 55 2HB PHE 55 3.882 -1.635 2.398 411 HB3 PHE 55 1HB PHE 55 3.882 -2.280 0.756 412 HA PRO 56 HA PRO 56 2.116 -4.516 6.155 413 HB2 PRO 56 2HB PRO 56 3.989 -2.610 7.412 414 HB3 PRO 56 1HB PRO 56 3.718 -4.307 7.788 415 HG2 PRO 56 2HG PRO 56 5.974 -3.498 6.578 416 HG3 PRO 56 1HG PRO 56 5.224 -5.058 6.209 417 HD2 PRO 56 2HD PRO 56 5.117 -2.498 4.660 418 HD3 PRO 56 1HD PRO 56 5.313 -4.169 4.082 419 H ASP 57 H ASP 57 0.359 -3.530 6.725 420 HA ASP 57 HA ASP 57 -0.434 -1.183 5.425 421 HB2 ASP 57 2HB ASP 57 -2.567 -1.383 6.471 422 HB3 ASP 57 1HB ASP 57 -1.998 -2.988 6.060 423 H ASN 58 H ASN 58 1.167 -1.456 8.400 424 HA ASN 58 HA ASN 58 0.057 0.893 9.598 425 HB2 ASN 58 2HB ASN 58 1.740 0.673 11.309 426 HB3 ASN 58 1HB ASN 58 1.172 -0.938 10.895 427 HD21 ASN 58 1HD2 ASN 58 3.831 1.228 10.915 428 HD22 ASN 58 2HD2 ASN 58 5.027 0.095 10.389 429 H PHE 59 H PHE 59 2.284 0.430 7.088 430 HA PHE 59 HA PHE 59 3.745 2.879 7.504 431 HD1 PHE 59 2HD PHE 59 4.285 -0.699 7.022 432 HD2 PHE 59 1HD PHE 59 6.710 2.618 5.990 433 HE1 PHE 59 2HE PHE 59 6.215 -1.776 8.104 434 HE2 PHE 59 1HE PHE 59 8.639 1.561 7.079 435 HZ PHE 59 HZ PHE 59 8.386 -0.647 8.140 436 HB2 PHE 59 2HB PHE 59 3.673 0.918 5.220 437 HB3 PHE 59 1HB PHE 59 4.553 2.435 5.112 438 H ALA 60 H ALA 60 0.710 2.112 6.287 439 HA ALA 60 HA ALA 60 0.573 4.705 4.961 440 HB1 ALA 60 1HB ALA 60 -0.847 3.753 3.220 441 HB2 ALA 60 2HB ALA 60 -0.675 2.151 3.934 442 HB3 ALA 60 3HB ALA 60 0.729 2.957 3.229 443 H VAL 61 H VAL 61 -1.709 5.411 4.778 444 HA VAL 61 HA VAL 61 -3.465 4.154 6.734 445 HB VAL 61 HB VAL 61 -2.273 6.077 7.816 446 HG11 VAL 61 1HG1 VAL 61 -2.887 8.386 7.237 447 HG12 VAL 61 2HG1 VAL 61 -3.748 7.776 5.823 448 HG13 VAL 61 3HG1 VAL 61 -2.003 7.564 5.945 449 HG21 VAL 61 3HG2 VAL 61 -4.414 5.382 8.681 450 HG22 VAL 61 1HG2 VAL 61 -5.247 6.399 7.505 451 HG23 VAL 61 2HG2 VAL 61 -4.273 7.137 8.776 452 H GLN 62 H GLN 62 -5.626 4.244 6.166 453 HA GLN 62 HA GLN 62 -6.259 4.878 3.470 454 HB2 GLN 62 2HB GLN 62 -7.437 3.091 4.606 455 HB3 GLN 62 1HB GLN 62 -7.962 4.181 5.872 456 HG2 GLN 62 2HG GLN 62 -9.806 3.684 4.379 457 HG3 GLN 62 1HG GLN 62 -9.362 5.366 4.283 458 HE21 GLN 62 1HE2 GLN 62 -10.539 5.382 2.386 459 HE22 GLN 62 2HE2 GLN 62 -9.863 4.830 0.893 460 H ILE 63 H ILE 63 -7.430 6.561 2.768 461 HA ILE 63 HA ILE 63 -7.064 8.934 4.455 462 HB ILE 63 HB ILE 63 -7.410 10.334 2.457 463 HG12 ILE 63 2HG1 ILE 63 -7.433 7.743 0.883 464 HG13 ILE 63 1HG1 ILE 63 -8.857 8.728 1.188 465 HG21 ILE 63 1HG2 ILE 63 -5.283 8.220 2.174 466 HG22 ILE 63 2HG2 ILE 63 -5.168 9.720 3.097 467 HG23 ILE 63 3HG2 ILE 63 -5.287 9.774 1.339 468 HD11 ILE 63 3HD1 ILE 63 -7.991 9.123 -1.040 469 HD12 ILE 63 1HD1 ILE 63 -6.420 9.571 -0.373 470 HD13 ILE 63 2HD1 ILE 63 -7.840 10.569 -0.054 471 H SER 64 H SER 64 -9.583 7.378 2.612 472 HA SER 64 HA SER 64 -11.512 9.014 4.046 473 HG SER 64 HG SER 64 -12.179 10.125 1.160 474 HB2 SER 64 2HB SER 64 -11.799 7.547 1.414 475 HB3 SER 64 1HB SER 64 -13.030 8.558 2.178 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -13.698 -7.958 2.301 2 H2 GLY 1 2HT GLY 1 -13.793 -7.988 4.007 3 H3 GLY 1 3HT GLY 1 -12.283 -8.076 3.210 4 HA2 GLY 1 1HA GLY 1 -14.041 -5.734 3.093 5 HA3 GLY 1 2HA GLY 1 -12.592 -5.908 4.084 6 H ALA 2 H ALA 2 -13.024 -4.000 2.025 7 HA ALA 2 HA ALA 2 -12.020 -3.024 0.271 8 HB1 ALA 2 1HB ALA 2 -9.672 -4.731 1.086 9 HB2 ALA 2 2HB ALA 2 -10.097 -3.160 1.765 10 HB3 ALA 2 3HB ALA 2 -9.607 -3.288 0.075 11 H MET 3 H MET 3 -13.626 -4.408 -0.902 12 HA MET 3 HA MET 3 -12.220 -5.663 -3.098 13 HB2 MET 3 2HB MET 3 -12.854 -7.481 -1.461 14 HB3 MET 3 1HB MET 3 -14.532 -7.037 -1.735 15 HG2 MET 3 2HG MET 3 -13.897 -8.982 -3.062 16 HG3 MET 3 1HG MET 3 -14.348 -7.614 -4.076 17 HE1 MET 3 3HE MET 3 -9.952 -8.890 -3.342 18 HE2 MET 3 1HE MET 3 -11.333 -9.697 -2.604 19 HE3 MET 3 2HE MET 3 -10.915 -8.052 -2.128 20 H GLY 4 H GLY 4 -12.862 -4.337 -4.640 21 HA2 GLY 4 2HA GLY 4 -14.396 -3.600 -6.262 22 HA3 GLY 4 1HA GLY 4 -15.708 -4.128 -5.219 23 H ALA 5 H ALA 5 -13.029 -1.693 -5.136 24 HA ALA 5 HA ALA 5 -14.751 0.466 -4.812 25 HB1 ALA 5 1HB ALA 5 -14.069 1.054 -2.508 26 HB2 ALA 5 2HB ALA 5 -13.269 -0.511 -2.357 27 HB3 ALA 5 3HB ALA 5 -15.020 -0.431 -2.546 28 H LYS 6 H LYS 6 -13.311 2.306 -4.169 29 HA LYS 6 HA LYS 6 -10.581 1.851 -5.104 30 HB2 LYS 6 2HB LYS 6 -10.549 4.204 -5.975 31 HB3 LYS 6 1HB LYS 6 -11.673 3.159 -6.819 32 HG2 LYS 6 2HG LYS 6 -13.546 4.182 -5.721 33 HG3 LYS 6 1HG LYS 6 -12.477 5.102 -4.658 34 HD2 LYS 6 2HD LYS 6 -11.566 6.267 -6.633 35 HD3 LYS 6 1HD LYS 6 -12.693 5.369 -7.651 36 HE2 LYS 6 2HE LYS 6 -14.576 6.397 -6.545 37 HE3 LYS 6 1HE LYS 6 -13.504 7.210 -5.410 38 HZ1 LYS 6 3HZ LYS 6 -14.290 8.615 -7.249 39 HZ2 LYS 6 1HZ LYS 6 -13.467 7.645 -8.339 40 HZ3 LYS 6 2HZ LYS 6 -12.618 8.535 -7.164 41 H GLU 7 H GLU 7 -9.595 1.622 -3.184 42 HA GLU 7 HA GLU 7 -10.074 3.722 -1.231 43 HB2 GLU 7 2HB GLU 7 -8.769 1.024 -0.867 44 HB3 GLU 7 1HB GLU 7 -9.050 2.201 0.416 45 HG2 GLU 7 2HG GLU 7 -11.511 1.957 -0.186 46 HG3 GLU 7 1HG GLU 7 -11.020 0.553 -1.129 47 H TYR 8 H TYR 8 -8.397 4.870 -0.406 48 HA TYR 8 HA TYR 8 -5.851 4.562 -1.842 49 HD1 TYR 8 1HD TYR 8 -5.392 6.014 -4.322 50 HD2 TYR 8 2HD TYR 8 -9.200 6.941 -2.670 51 HE1 TYR 8 1HE TYR 8 -6.392 5.882 -6.558 52 HE2 TYR 8 2HE TYR 8 -10.208 6.811 -4.893 53 HH TYR 8 HH TYR 8 -8.590 5.490 -7.576 54 HB2 TYR 8 2HB TYR 8 -7.178 7.242 -1.343 55 HB3 TYR 8 1HB TYR 8 -5.611 6.982 -2.065 56 H CYS 9 H CYS 9 -4.092 4.861 -0.695 57 HA CYS 9 HA CYS 9 -4.429 5.701 2.103 58 HG CYS 9 HG CYS 9 -5.691 3.228 1.470 59 HB2 CYS 9 2HB CYS 9 -2.590 3.523 1.079 60 HB3 CYS 9 1HB CYS 9 -2.787 4.028 2.752 61 H ARG 10 H ARG 10 -2.634 6.740 3.030 62 HA ARG 10 HA ARG 10 -0.645 7.697 1.093 63 HE ARG 10 HE ARG 10 -2.245 11.825 2.165 64 HB2 ARG 10 2HB ARG 10 -2.077 9.561 1.868 65 HB3 ARG 10 1HB ARG 10 -1.719 9.145 3.541 66 HG2 ARG 10 2HG ARG 10 0.667 9.623 3.126 67 HG3 ARG 10 1HG ARG 10 0.265 10.107 1.483 68 HD2 ARG 10 2HD ARG 10 -0.768 11.411 3.997 69 HD3 ARG 10 1HD ARG 10 0.559 12.014 3.013 70 HH11 ARG 10 1HH1 ARG 10 0.920 13.439 2.022 71 HH12 ARG 10 2HH1 ARG 10 0.426 14.642 0.939 72 HH21 ARG 10 1HH2 ARG 10 -2.954 13.594 0.701 73 HH22 ARG 10 2HH2 ARG 10 -1.803 14.752 0.232 74 H THR 11 H THR 11 1.417 7.274 1.609 75 HA THR 11 HA THR 11 1.992 5.567 3.786 76 HB THR 11 HB THR 11 4.379 6.085 2.984 77 HG1 THR 11 1HG THR 11 4.477 7.061 1.001 78 HG21 THR 11 3HG2 THR 11 2.365 4.950 1.058 79 HG22 THR 11 1HG2 THR 11 3.101 4.056 2.393 80 HG23 THR 11 2HG2 THR 11 4.102 4.626 1.058 81 H LEU 12 H LEU 12 2.635 6.081 5.762 82 HA LEU 12 HA LEU 12 3.011 8.885 6.474 83 HG LEU 12 HG LEU 12 0.700 6.877 7.282 84 HB2 LEU 12 2HB LEU 12 2.942 6.389 8.177 85 HB3 LEU 12 1HB LEU 12 3.053 8.023 8.790 86 HD11 LEU 12 1HD1 LEU 12 -0.446 7.011 9.442 87 HD12 LEU 12 2HD1 LEU 12 1.058 7.520 10.207 88 HD13 LEU 12 3HD1 LEU 12 0.929 5.911 9.499 89 HD21 LEU 12 3HD2 LEU 12 0.923 9.261 6.886 90 HD22 LEU 12 1HD2 LEU 12 1.103 9.555 8.618 91 HD23 LEU 12 2HD2 LEU 12 -0.424 8.955 7.979 92 H PHE 13 H PHE 13 4.753 6.101 5.705 93 HA PHE 13 HA PHE 13 7.317 7.354 6.352 94 HD1 PHE 13 1HD PHE 13 8.512 6.702 9.100 95 HD2 PHE 13 2HD PHE 13 4.829 4.670 8.495 96 HE1 PHE 13 1HE PHE 13 7.894 7.119 11.442 97 HE2 PHE 13 2HE PHE 13 4.199 5.089 10.831 98 HZ PHE 13 HZ PHE 13 5.733 6.315 12.309 99 HB2 PHE 13 2HB PHE 13 6.566 4.474 6.934 100 HB3 PHE 13 1HB PHE 13 8.158 5.175 7.177 101 HA PRO 14 HA PRO 14 7.982 5.538 2.335 102 HB2 PRO 14 2HB PRO 14 10.689 5.373 2.275 103 HB3 PRO 14 1HB PRO 14 9.843 6.916 2.123 104 HG2 PRO 14 2HG PRO 14 11.264 5.758 4.468 105 HG3 PRO 14 1HG PRO 14 11.143 7.443 3.949 106 HD2 PRO 14 2HD PRO 14 9.654 6.282 5.980 107 HD3 PRO 14 1HD PRO 14 9.214 7.771 5.134 108 H TYR 15 H TYR 15 8.084 3.442 1.610 109 HA TYR 15 HA TYR 15 9.228 1.497 3.480 110 HD1 TYR 15 2HD TYR 15 8.160 -0.203 5.024 111 HD2 TYR 15 1HD TYR 15 6.853 -1.287 1.109 112 HE1 TYR 15 2HE TYR 15 8.477 -2.562 5.571 113 HE2 TYR 15 1HE TYR 15 7.176 -3.651 1.660 114 HH TYR 15 HH TYR 15 8.475 -5.042 3.270 115 HB2 TYR 15 2HB TYR 15 6.741 1.368 3.531 116 HB3 TYR 15 1HB TYR 15 6.753 1.006 1.806 117 H THR 16 H THR 16 10.881 0.563 2.615 118 HA THR 16 HA THR 16 10.870 0.128 -0.276 119 HB THR 16 HB THR 16 13.237 0.113 1.616 120 HG1 THR 16 1HG THR 16 11.756 2.115 0.743 121 HG21 THR 16 3HG2 THR 16 13.537 -1.117 -0.512 122 HG22 THR 16 1HG2 THR 16 14.532 0.336 -0.464 123 HG23 THR 16 2HG2 THR 16 13.042 0.321 -1.404 124 H GLY 17 H GLY 17 10.701 -1.922 -0.942 125 HA2 GLY 17 2HA GLY 17 10.536 -4.001 1.032 126 HA3 GLY 17 1HA GLY 17 10.201 -4.120 -0.690 127 H THR 18 H THR 18 11.766 -5.905 0.941 128 HA THR 18 HA THR 18 14.395 -5.449 -0.208 129 HB THR 18 HB THR 18 14.439 -5.926 2.190 130 HG1 THR 18 1HG THR 18 15.324 -8.390 1.305 131 HG21 THR 18 3HG2 THR 18 12.356 -7.166 2.432 132 HG22 THR 18 1HG2 THR 18 13.697 -8.083 3.116 133 HG23 THR 18 2HG2 THR 18 13.043 -8.522 1.538 134 H ASN 19 H ASN 19 11.527 -7.207 -0.468 135 HA ASN 19 HA ASN 19 12.651 -9.035 -2.467 136 HB2 ASN 19 2HB ASN 19 9.900 -8.956 -1.183 137 HB3 ASN 19 1HB ASN 19 10.463 -10.173 -2.315 138 HD21 ASN 19 1HD2 ASN 19 10.633 -8.968 0.916 139 HD22 ASN 19 2HD2 ASN 19 11.414 -10.350 1.608 140 H GLU 20 H GLU 20 11.251 -9.220 -4.465 141 HA GLU 20 HA GLU 20 10.541 -6.591 -5.430 142 HB2 GLU 20 2HB GLU 20 10.213 -7.671 -7.576 143 HB3 GLU 20 1HB GLU 20 11.700 -8.272 -6.855 144 HG2 GLU 20 2HG GLU 20 10.474 -10.277 -6.098 145 HG3 GLU 20 1HG GLU 20 9.047 -9.680 -6.934 146 H ASP 21 H ASP 21 9.039 -8.931 -3.726 147 HA ASP 21 HA ASP 21 6.378 -8.874 -4.844 148 HB2 ASP 21 2HB ASP 21 7.216 -10.886 -3.758 149 HB3 ASP 21 1HB ASP 21 7.503 -9.994 -2.273 150 H GLU 22 H GLU 22 8.209 -7.375 -2.395 151 HA GLU 22 HA GLU 22 6.107 -5.852 -1.183 152 HB2 GLU 22 2HB GLU 22 9.095 -5.815 -1.162 153 HB3 GLU 22 1HB GLU 22 8.147 -4.602 -0.320 154 HG2 GLU 22 2HG GLU 22 7.299 -6.138 1.146 155 HG3 GLU 22 1HG GLU 22 7.819 -7.539 0.180 156 H LEU 23 H LEU 23 5.871 -3.597 -1.532 157 HA LEU 23 HA LEU 23 6.955 -2.731 -4.121 158 HG LEU 23 HG LEU 23 3.626 -1.371 -5.177 159 HB2 LEU 23 2HB LEU 23 4.354 -3.067 -3.631 160 HB3 LEU 23 1HB LEU 23 4.520 -1.498 -2.894 161 HD11 LEU 23 1HD1 LEU 23 5.135 0.309 -6.106 162 HD12 LEU 23 2HD1 LEU 23 6.324 -0.117 -4.872 163 HD13 LEU 23 3HD1 LEU 23 4.766 0.559 -4.400 164 HD21 LEU 23 3HD2 LEU 23 6.289 -2.477 -6.047 165 HD22 LEU 23 1HD2 LEU 23 5.023 -1.858 -7.101 166 HD23 LEU 23 2HD2 LEU 23 4.733 -3.304 -6.138 167 H THR 24 H THR 24 7.921 -0.736 -4.200 168 HA THR 24 HA THR 24 8.639 0.334 -1.593 169 HB THR 24 HB THR 24 9.920 0.708 -4.309 170 HG1 THR 24 1HG THR 24 11.219 -0.848 -3.721 171 HG21 THR 24 3HG2 THR 24 11.779 1.797 -3.083 172 HG22 THR 24 1HG2 THR 24 10.844 1.705 -1.591 173 HG23 THR 24 2HG2 THR 24 10.281 2.713 -2.920 174 H PHE 25 H PHE 25 7.798 2.073 -0.880 175 HA PHE 25 HA PHE 25 6.539 4.028 -2.693 176 HD1 PHE 25 1HD PHE 25 3.604 3.856 -2.887 177 HD2 PHE 25 2HD PHE 25 5.131 0.941 -0.197 178 HE1 PHE 25 1HE PHE 25 2.017 2.201 -3.779 179 HE2 PHE 25 2HE PHE 25 3.552 -0.716 -1.091 180 HZ PHE 25 HZ PHE 25 1.994 -0.087 -2.886 181 HB2 PHE 25 2HB PHE 25 5.647 3.243 0.093 182 HB3 PHE 25 1HB PHE 25 4.923 4.486 -0.911 183 H ARG 26 H ARG 26 6.858 6.171 -2.101 184 HA ARG 26 HA ARG 26 9.027 6.667 -0.201 185 HE ARG 26 HE ARG 26 8.517 10.968 -1.684 186 HB2 ARG 26 2HB ARG 26 8.952 8.988 -1.067 187 HB3 ARG 26 1HB ARG 26 9.149 7.822 -2.376 188 HG2 ARG 26 2HG ARG 26 6.783 7.986 -2.891 189 HG3 ARG 26 1HG ARG 26 6.570 9.098 -1.543 190 HD2 ARG 26 2HD ARG 26 8.347 9.635 -3.916 191 HD3 ARG 26 1HD ARG 26 6.664 10.146 -3.764 192 HH11 ARG 26 1HH1 ARG 26 6.648 11.861 -4.581 193 HH12 ARG 26 2HH1 ARG 26 6.744 13.526 -4.297 194 HH21 ARG 26 1HH2 ARG 26 8.613 13.302 -1.298 195 HH22 ARG 26 2HH2 ARG 26 7.888 14.357 -2.426 196 H GLU 27 H GLU 27 8.623 8.732 1.213 197 HA GLU 27 HA GLU 27 6.324 8.265 2.831 198 HB2 GLU 27 2HB GLU 27 8.507 8.985 3.689 199 HB3 GLU 27 1HB GLU 27 8.342 10.496 2.817 200 HG2 GLU 27 2HG GLU 27 6.357 11.027 4.172 201 HG3 GLU 27 1HG GLU 27 6.626 9.547 5.097 202 H GLY 28 H GLY 28 4.366 9.237 2.645 203 HA2 GLY 28 2HA GLY 28 2.839 10.903 2.282 204 HA3 GLY 28 1HA GLY 28 4.140 11.931 1.701 205 H GLU 29 H GLU 29 3.235 8.733 0.491 206 HA GLU 29 HA GLU 29 2.497 10.053 -2.010 207 HB2 GLU 29 2HB GLU 29 4.655 8.880 -2.201 208 HB3 GLU 29 1HB GLU 29 3.900 7.398 -1.642 209 HG2 GLU 29 2HG GLU 29 2.735 7.105 -3.652 210 HG3 GLU 29 1HG GLU 29 2.993 8.777 -4.144 211 H ILE 30 H ILE 30 0.933 8.875 -3.297 212 HA ILE 30 HA ILE 30 -1.147 7.862 -1.517 213 HB ILE 30 HB ILE 30 -1.379 8.896 -4.359 214 HG12 ILE 30 2HG1 ILE 30 -0.700 10.686 -2.836 215 HG13 ILE 30 1HG1 ILE 30 -2.360 10.934 -3.367 216 HG21 ILE 30 1HG2 ILE 30 -3.798 8.990 -3.928 217 HG22 ILE 30 2HG2 ILE 30 -3.539 8.247 -2.349 218 HG23 ILE 30 3HG2 ILE 30 -3.173 7.344 -3.816 219 HD11 ILE 30 3HD1 ILE 30 -3.141 10.049 -1.201 220 HD12 ILE 30 1HD1 ILE 30 -2.107 11.466 -1.016 221 HD13 ILE 30 2HD1 ILE 30 -1.462 9.859 -0.691 222 H ILE 31 H ILE 31 -1.809 5.884 -1.618 223 HA ILE 31 HA ILE 31 -0.734 4.062 -3.687 224 HB ILE 31 HB ILE 31 -1.777 3.395 -0.929 225 HG12 ILE 31 2HG1 ILE 31 1.111 3.611 -1.810 226 HG13 ILE 31 1HG1 ILE 31 0.281 4.748 -0.751 227 HG21 ILE 31 1HG2 ILE 31 -0.230 1.737 -2.916 228 HG22 ILE 31 2HG2 ILE 31 -1.935 1.560 -2.501 229 HG23 ILE 31 3HG2 ILE 31 -0.694 1.222 -1.294 230 HD11 ILE 31 3HD1 ILE 31 0.731 1.836 -0.148 231 HD12 ILE 31 1HD1 ILE 31 0.000 3.022 0.928 232 HD13 ILE 31 2HD1 ILE 31 1.708 3.154 0.481 233 H HIS 32 H HIS 32 -2.283 3.032 -4.941 234 HA HIS 32 HA HIS 32 -5.056 3.326 -4.127 235 HD1 HIS 32 1HD HIS 32 -5.646 0.622 -7.884 236 HD2 HIS 32 2HD HIS 32 -7.386 3.394 -5.311 237 HE1 HIS 32 1HE HIS 32 -8.125 0.216 -7.979 238 HB2 HIS 32 2HB HIS 32 -4.521 3.655 -6.554 239 HB3 HIS 32 1HB HIS 32 -3.917 2.001 -6.628 240 H LEU 33 H LEU 33 -5.767 1.951 -2.750 241 HA LEU 33 HA LEU 33 -4.351 -0.445 -2.115 242 HG LEU 33 HG LEU 33 -5.165 -1.322 0.320 243 HB2 LEU 33 2HB LEU 33 -5.408 1.074 -0.445 244 HB3 LEU 33 1HB LEU 33 -6.966 0.673 -1.102 245 HD11 LEU 33 1HD1 LEU 33 -6.654 -1.013 2.229 246 HD12 LEU 33 2HD1 LEU 33 -7.511 0.257 1.357 247 HD13 LEU 33 3HD1 LEU 33 -5.823 0.485 1.814 248 HD21 LEU 33 3HD2 LEU 33 -7.193 -2.653 0.543 249 HD22 LEU 33 1HD2 LEU 33 -6.856 -2.345 -1.158 250 HD23 LEU 33 2HD2 LEU 33 -8.117 -1.431 -0.331 251 H ILE 34 H ILE 34 -4.686 -2.307 -2.964 252 HA ILE 34 HA ILE 34 -6.952 -2.717 -4.772 253 HB ILE 34 HB ILE 34 -4.500 -4.455 -4.362 254 HG12 ILE 34 2HG1 ILE 34 -3.801 -2.277 -5.207 255 HG13 ILE 34 1HG1 ILE 34 -3.641 -3.492 -6.468 256 HG21 ILE 34 1HG2 ILE 34 -5.093 -5.458 -6.526 257 HG22 ILE 34 2HG2 ILE 34 -6.552 -4.469 -6.577 258 HG23 ILE 34 3HG2 ILE 34 -6.361 -5.691 -5.319 259 HD11 ILE 34 3HD1 ILE 34 -5.718 -2.683 -7.487 260 HD12 ILE 34 1HD1 ILE 34 -4.504 -1.411 -7.349 261 HD13 ILE 34 2HD1 ILE 34 -5.853 -1.465 -6.218 262 H SER 35 H SER 35 -5.329 -4.164 -1.958 263 HA SER 35 HA SER 35 -7.789 -5.426 -1.162 264 HG SER 35 HG SER 35 -7.560 -6.346 -3.232 265 HB2 SER 35 2HB SER 35 -5.375 -7.092 -1.901 266 HB3 SER 35 1HB SER 35 -6.811 -7.717 -1.101 267 H LYS 36 H LYS 36 -7.876 -5.487 1.034 268 HA LYS 36 HA LYS 36 -5.498 -5.017 2.609 269 HB2 LYS 36 2HB LYS 36 -8.395 -5.459 3.371 270 HB3 LYS 36 1HB LYS 36 -7.110 -5.290 4.553 271 HG2 LYS 36 2HG LYS 36 -6.650 -3.046 3.692 272 HG3 LYS 36 1HG LYS 36 -8.004 -3.154 2.591 273 HD2 LYS 36 2HD LYS 36 -9.498 -3.532 4.516 274 HD3 LYS 36 1HD LYS 36 -8.116 -3.372 5.596 275 HE2 LYS 36 2HE LYS 36 -9.067 -1.240 5.649 276 HE3 LYS 36 1HE LYS 36 -7.759 -1.129 4.470 277 HZ1 LYS 36 3HZ LYS 36 -9.767 -0.026 3.727 278 HZ2 LYS 36 1HZ LYS 36 -10.633 -1.446 3.789 279 HZ3 LYS 36 2HZ LYS 36 -9.418 -1.231 2.648 280 H GLU 37 H GLU 37 -7.541 -7.590 1.567 281 HA GLU 37 HA GLU 37 -6.196 -9.476 3.303 282 HB2 GLU 37 2HB GLU 37 -8.608 -9.703 1.515 283 HB3 GLU 37 1HB GLU 37 -7.769 -11.132 2.076 284 HG2 GLU 37 2HG GLU 37 -9.606 -10.821 3.495 285 HG3 GLU 37 1HG GLU 37 -8.197 -10.354 4.414 286 H THR 38 H THR 38 -4.238 -9.852 2.554 287 HA THR 38 HA THR 38 -3.917 -10.514 -0.298 288 HB THR 38 HB THR 38 -1.462 -10.212 0.227 289 HG1 THR 38 1HG THR 38 -2.023 -8.718 2.499 290 HG21 THR 38 3HG2 THR 38 -2.789 -8.417 -0.816 291 HG22 THR 38 1HG2 THR 38 -1.572 -7.756 0.279 292 HG23 THR 38 2HG2 THR 38 -3.257 -7.843 0.788 293 H GLY 39 H GLY 39 -4.522 -11.932 2.497 294 HA2 GLY 39 2HA GLY 39 -4.381 -14.439 2.463 295 HA3 GLY 39 1HA GLY 39 -2.651 -14.182 2.201 296 H GLU 40 H GLU 40 -2.243 -12.013 3.720 297 HA GLU 40 HA GLU 40 -2.800 -12.911 6.459 298 HB2 GLU 40 2HB GLU 40 -0.473 -11.350 5.357 299 HB3 GLU 40 1HB GLU 40 -0.802 -11.540 7.067 300 HG2 GLU 40 2HG GLU 40 -0.527 -13.966 6.812 301 HG3 GLU 40 1HG GLU 40 -0.116 -13.713 5.113 302 H ALA 41 H ALA 41 -2.900 -11.175 7.993 303 HA ALA 41 HA ALA 41 -4.076 -8.734 6.930 304 HB1 ALA 41 1HB ALA 41 -4.732 -8.352 9.275 305 HB2 ALA 41 2HB ALA 41 -3.937 -9.856 9.735 306 HB3 ALA 41 3HB ALA 41 -5.353 -9.891 8.681 307 H GLY 42 H GLY 42 -3.141 -6.717 7.624 308 HA2 GLY 42 2HA GLY 42 -1.424 -5.471 8.657 309 HA3 GLY 42 1HA GLY 42 -0.469 -6.946 8.795 310 H TRP 43 H TRP 43 -1.230 -7.663 6.017 311 HA TRP 43 HA TRP 43 0.642 -5.892 4.633 312 HD1 TRP 43 HD TRP 43 1.196 -9.573 6.503 313 HE1 TRP 43 1HE TRP 43 3.640 -9.589 7.284 314 HE3 TRP 43 3HE TRP 43 3.194 -6.528 2.923 315 HZ2 TRP 43 2HZ TRP 43 6.110 -8.442 6.484 316 HZ3 TRP 43 3HZ TRP 43 5.596 -6.031 2.994 317 HH2 TRP 43 HH TRP 43 7.028 -6.972 4.737 318 HB2 TRP 43 2HB TRP 43 0.056 -8.830 4.212 319 HB3 TRP 43 1HB TRP 43 1.008 -7.856 3.105 320 H TRP 44 H TRP 44 -0.298 -4.653 3.245 321 HA TRP 44 HA TRP 44 -2.849 -5.488 2.065 322 HD1 TRP 44 HD TRP 44 -3.522 -5.372 4.292 323 HE1 TRP 44 1HE TRP 44 -5.009 -4.395 6.132 324 HE3 TRP 44 3HE TRP 44 -3.349 -0.454 2.939 325 HZ2 TRP 44 2HZ TRP 44 -5.977 -1.875 6.918 326 HZ3 TRP 44 3HZ TRP 44 -4.585 1.180 4.284 327 HH2 TRP 44 HH TRP 44 -5.884 0.474 6.234 328 HB2 TRP 44 2HB TRP 44 -1.687 -2.745 2.552 329 HB3 TRP 44 1HB TRP 44 -3.107 -3.037 1.565 330 H LYS 45 H LYS 45 -3.155 -4.944 -0.136 331 HA LYS 45 HA LYS 45 -0.641 -4.850 -1.650 332 HB2 LYS 45 2HB LYS 45 -2.044 -6.812 -2.212 333 HB3 LYS 45 1HB LYS 45 -3.397 -5.743 -2.544 334 HG2 LYS 45 2HG LYS 45 -2.136 -4.691 -4.371 335 HG3 LYS 45 1HG LYS 45 -0.803 -5.796 -4.078 336 HD2 LYS 45 2HD LYS 45 -3.587 -6.650 -4.851 337 HD3 LYS 45 1HD LYS 45 -2.270 -6.418 -5.993 338 HE2 LYS 45 2HE LYS 45 -0.973 -8.113 -4.669 339 HE3 LYS 45 1HE LYS 45 -2.459 -8.435 -3.774 340 HZ1 LYS 45 3HZ LYS 45 -2.102 -9.962 -5.664 341 HZ2 LYS 45 1HZ LYS 45 -2.180 -8.643 -6.711 342 HZ3 LYS 45 2HZ LYS 45 -3.540 -9.091 -5.809 343 H GLY 46 H GLY 46 -0.205 -3.144 -2.817 344 HA2 GLY 46 2HA GLY 46 -2.372 -1.313 -3.495 345 HA3 GLY 46 1HA GLY 46 -0.924 -0.699 -2.702 346 H GLU 47 H GLU 47 -2.025 -0.176 -5.369 347 HA GLU 47 HA GLU 47 0.184 -1.222 -6.981 348 HB2 GLU 47 2HB GLU 47 -2.098 -1.626 -7.872 349 HB3 GLU 47 1HB GLU 47 -2.357 0.114 -7.923 350 HG2 GLU 47 2HG GLU 47 -0.423 0.301 -9.477 351 HG3 GLU 47 1HG GLU 47 -0.335 -1.456 -9.508 352 H LEU 48 H LEU 48 1.648 0.068 -7.792 353 HA LEU 48 HA LEU 48 1.248 2.948 -7.897 354 HG LEU 48 HG LEU 48 4.000 3.915 -7.700 355 HB2 LEU 48 2HB LEU 48 2.373 2.340 -5.732 356 HB3 LEU 48 1HB LEU 48 3.673 1.639 -6.669 357 HD11 LEU 48 1HD1 LEU 48 2.182 4.721 -5.450 358 HD12 LEU 48 2HD1 LEU 48 1.895 4.933 -7.179 359 HD13 LEU 48 3HD1 LEU 48 3.191 5.821 -6.378 360 HD21 LEU 48 3HD2 LEU 48 4.460 3.579 -4.739 361 HD22 LEU 48 1HD2 LEU 48 5.259 4.767 -5.772 362 HD23 LEU 48 2HD2 LEU 48 5.524 3.046 -6.041 363 H ASN 49 H ASN 49 1.957 3.593 -9.853 364 HA ASN 49 HA ASN 49 2.978 3.706 -11.878 365 HB2 ASN 49 2HB ASN 49 5.151 1.946 -10.714 366 HB3 ASN 49 1HB ASN 49 5.269 2.922 -12.167 367 HD21 ASN 49 1HD2 ASN 49 5.643 2.784 -8.854 368 HD22 ASN 49 2HD2 ASN 49 6.083 4.432 -8.580 369 H GLY 50 H GLY 50 1.231 1.389 -11.155 370 HA2 GLY 50 2HA GLY 50 0.274 -0.148 -12.644 371 HA3 GLY 50 1HA GLY 50 1.756 -0.111 -13.592 372 H LYS 51 H LYS 51 2.820 -0.425 -10.539 373 HA LYS 51 HA LYS 51 2.901 -3.325 -10.792 374 HB2 LYS 51 2HB LYS 51 4.664 -1.445 -9.216 375 HB3 LYS 51 1HB LYS 51 4.742 -3.190 -9.094 376 HG2 LYS 51 2HG LYS 51 6.511 -2.551 -10.444 377 HG3 LYS 51 1HG LYS 51 5.319 -3.210 -11.545 378 HD2 LYS 51 2HD LYS 51 4.581 -0.943 -12.142 379 HD3 LYS 51 1HD LYS 51 5.760 -0.265 -11.023 380 HE2 LYS 51 2HE LYS 51 6.559 -0.172 -13.332 381 HE3 LYS 51 1HE LYS 51 7.578 -1.203 -12.333 382 HZ1 LYS 51 3HZ LYS 51 6.489 -3.134 -13.265 383 HZ2 LYS 51 1HZ LYS 51 7.114 -2.181 -14.497 384 HZ3 LYS 51 2HZ LYS 51 5.456 -2.175 -14.177 385 H GLU 52 H GLU 52 2.046 -4.545 -9.272 386 HA GLU 52 HA GLU 52 0.910 -3.149 -6.971 387 HB2 GLU 52 2HB GLU 52 -0.802 -4.974 -6.835 388 HB3 GLU 52 1HB GLU 52 -0.957 -3.964 -8.256 389 HG2 GLU 52 2HG GLU 52 -0.018 -5.673 -9.647 390 HG3 GLU 52 1HG GLU 52 0.393 -6.651 -8.240 391 H GLY 53 H GLY 53 1.732 -3.614 -5.138 392 HA2 GLY 53 2HA GLY 53 2.915 -6.266 -4.772 393 HA3 GLY 53 1HA GLY 53 3.881 -4.845 -4.410 394 H VAL 54 H VAL 54 3.843 -6.050 -2.294 395 HA VAL 54 HA VAL 54 1.440 -5.261 -0.828 396 HB VAL 54 HB VAL 54 1.928 -7.031 0.818 397 HG11 VAL 54 1HG1 VAL 54 1.698 -8.055 -2.004 398 HG12 VAL 54 2HG1 VAL 54 0.371 -7.490 -0.991 399 HG13 VAL 54 3HG1 VAL 54 1.261 -8.946 -0.544 400 HG21 VAL 54 3HG2 VAL 54 4.101 -7.882 -1.107 401 HG22 VAL 54 1HG2 VAL 54 3.573 -8.796 0.307 402 HG23 VAL 54 2HG2 VAL 54 4.349 -7.224 0.511 403 H PHE 55 H PHE 55 1.654 -4.485 1.235 404 HA PHE 55 HA PHE 55 4.258 -3.691 2.175 405 HD1 PHE 55 1HD PHE 55 1.317 -2.168 -0.448 406 HD2 PHE 55 2HD PHE 55 1.825 -0.423 3.406 407 HE1 PHE 55 1HE PHE 55 -0.951 -1.229 -0.574 408 HE2 PHE 55 2HE PHE 55 -0.443 0.513 3.282 409 HZ PHE 55 HZ PHE 55 -1.833 0.111 1.291 410 HB2 PHE 55 2HB PHE 55 3.740 -1.305 2.197 411 HB3 PHE 55 1HB PHE 55 3.539 -1.947 0.566 412 HA PRO 56 HA PRO 56 1.842 -4.231 5.923 413 HB2 PRO 56 2HB PRO 56 3.685 -2.567 7.433 414 HB3 PRO 56 1HB PRO 56 3.475 -4.311 7.501 415 HG2 PRO 56 2HG PRO 56 5.704 -3.132 6.486 416 HG3 PRO 56 1HG PRO 56 5.106 -4.709 5.938 417 HD2 PRO 56 2HD PRO 56 4.777 -2.011 4.677 418 HD3 PRO 56 1HD PRO 56 5.151 -3.578 3.924 419 H ASP 57 H ASP 57 0.151 -3.145 6.761 420 HA ASP 57 HA ASP 57 -0.450 -0.514 5.897 421 HB2 ASP 57 2HB ASP 57 -2.493 -0.627 7.139 422 HB3 ASP 57 1HB ASP 57 -2.193 -2.232 6.500 423 H ASN 58 H ASN 58 1.386 -1.586 8.453 424 HA ASN 58 HA ASN 58 1.065 0.470 10.360 425 HB2 ASN 58 2HB ASN 58 3.589 -1.105 9.769 426 HB3 ASN 58 1HB ASN 58 3.325 -0.108 11.189 427 HD21 ASN 58 1HD2 ASN 58 2.841 -3.185 9.728 428 HD22 ASN 58 2HD2 ASN 58 1.999 -3.898 11.045 429 H PHE 59 H PHE 59 2.521 0.527 7.260 430 HA PHE 59 HA PHE 59 4.099 2.892 7.919 431 HD1 PHE 59 1HD PHE 59 4.645 -0.700 7.210 432 HD2 PHE 59 2HD PHE 59 7.150 2.664 6.524 433 HE1 PHE 59 1HE PHE 59 6.532 -1.893 8.244 434 HE2 PHE 59 2HE PHE 59 9.034 1.487 7.562 435 HZ PHE 59 HZ PHE 59 8.731 -0.797 8.424 436 HB2 PHE 59 2HB PHE 59 4.115 1.103 5.490 437 HB3 PHE 59 1HB PHE 59 5.011 2.609 5.570 438 H ALA 60 H ALA 60 0.971 2.420 7.051 439 HA ALA 60 HA ALA 60 0.907 4.927 5.578 440 HB1 ALA 60 1HB ALA 60 1.060 3.193 3.848 441 HB2 ALA 60 2HB ALA 60 -0.498 4.020 3.811 442 HB3 ALA 60 3HB ALA 60 -0.372 2.410 4.519 443 H VAL 61 H VAL 61 -1.339 5.686 5.290 444 HA VAL 61 HA VAL 61 -3.236 4.540 7.193 445 HB VAL 61 HB VAL 61 -2.224 6.576 8.230 446 HG11 VAL 61 1HG1 VAL 61 -3.357 8.057 5.869 447 HG12 VAL 61 2HG1 VAL 61 -1.650 7.835 6.252 448 HG13 VAL 61 3HG1 VAL 61 -2.673 8.803 7.314 449 HG21 VAL 61 3HG2 VAL 61 -4.327 7.751 8.764 450 HG22 VAL 61 1HG2 VAL 61 -4.499 5.996 8.813 451 HG23 VAL 61 2HG2 VAL 61 -5.110 6.903 7.430 452 H GLN 62 H GLN 62 -5.348 4.496 6.412 453 HA GLN 62 HA GLN 62 -5.541 4.973 3.590 454 HB2 GLN 62 2HB GLN 62 -6.497 2.936 4.713 455 HB3 GLN 62 1HB GLN 62 -7.684 3.991 5.469 456 HG2 GLN 62 2HG GLN 62 -8.482 4.669 3.275 457 HG3 GLN 62 1HG GLN 62 -7.295 3.615 2.517 458 HE21 GLN 62 1HE2 GLN 62 -10.092 3.616 2.264 459 HE22 GLN 62 2HE2 GLN 62 -10.648 2.038 2.713 460 H ILE 63 H ILE 63 -6.474 6.661 2.694 461 HA ILE 63 HA ILE 63 -7.602 8.671 4.498 462 HB ILE 63 HB ILE 63 -7.145 10.318 2.678 463 HG12 ILE 63 2HG1 ILE 63 -5.755 7.975 1.332 464 HG13 ILE 63 1HG1 ILE 63 -7.221 8.754 0.761 465 HG21 ILE 63 1HG2 ILE 63 -4.707 10.358 2.971 466 HG22 ILE 63 2HG2 ILE 63 -4.769 8.711 3.601 467 HG23 ILE 63 3HG2 ILE 63 -5.555 10.021 4.482 468 HD11 ILE 63 3HD1 ILE 63 -5.978 10.805 0.356 469 HD12 ILE 63 1HD1 ILE 63 -5.275 9.444 -0.512 470 HD13 ILE 63 2HD1 ILE 63 -4.508 10.042 0.962 471 H SER 64 H SER 64 -8.304 6.717 1.693 472 HA SER 64 HA SER 64 -11.034 7.667 1.778 473 HG SER 64 HG SER 64 -9.678 9.180 -1.167 474 HB2 SER 64 2HB SER 64 -9.355 6.989 -0.641 475 HB3 SER 64 1HB SER 64 -11.076 7.380 -0.673 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -13.555 -0.213 2.688 2 H2 GLY 1 2HT GLY 1 -15.125 -0.229 2.047 3 H3 GLY 1 3HT GLY 1 -13.811 0.283 1.108 4 HA2 GLY 1 1HA GLY 1 -14.098 -2.432 2.218 5 HA3 GLY 1 2HA GLY 1 -14.497 -1.983 0.561 6 H ALA 2 H ALA 2 -12.877 -3.572 -0.004 7 HA ALA 2 HA ALA 2 -10.129 -2.722 0.405 8 HB1 ALA 2 1HB ALA 2 -9.545 -4.782 -0.787 9 HB2 ALA 2 2HB ALA 2 -11.256 -5.096 -1.088 10 HB3 ALA 2 3HB ALA 2 -10.632 -5.106 0.562 11 H MET 3 H MET 3 -12.646 -2.798 -1.974 12 HA MET 3 HA MET 3 -11.514 -0.645 -3.394 13 HB2 MET 3 2HB MET 3 -10.208 -2.489 -4.463 14 HB3 MET 3 1HB MET 3 -11.720 -3.280 -4.896 15 HG2 MET 3 2HG MET 3 -12.322 -1.360 -6.289 16 HG3 MET 3 1HG MET 3 -10.800 -0.582 -5.875 17 HE1 MET 3 3HE MET 3 -8.426 -1.523 -6.588 18 HE2 MET 3 1HE MET 3 -8.188 -2.957 -7.593 19 HE3 MET 3 2HE MET 3 -8.795 -3.132 -5.953 20 H GLY 4 H GLY 4 -13.472 0.285 -2.832 21 HA2 GLY 4 2HA GLY 4 -15.739 -0.856 -4.328 22 HA3 GLY 4 1HA GLY 4 -15.929 -0.239 -2.692 23 H ALA 5 H ALA 5 -14.234 2.032 -2.993 24 HA ALA 5 HA ALA 5 -15.686 3.588 -5.024 25 HB1 ALA 5 1HB ALA 5 -15.895 5.405 -3.375 26 HB2 ALA 5 2HB ALA 5 -15.202 4.359 -2.138 27 HB3 ALA 5 3HB ALA 5 -16.762 3.960 -2.857 28 H LYS 6 H LYS 6 -13.081 2.332 -4.846 29 HA LYS 6 HA LYS 6 -10.905 2.658 -5.182 30 HB2 LYS 6 2HB LYS 6 -11.801 5.451 -5.922 31 HB3 LYS 6 1HB LYS 6 -10.104 5.018 -5.888 32 HG2 LYS 6 2HG LYS 6 -10.880 4.898 -8.146 33 HG3 LYS 6 1HG LYS 6 -10.562 3.265 -7.582 34 HD2 LYS 6 2HD LYS 6 -12.967 2.952 -7.187 35 HD3 LYS 6 1HD LYS 6 -13.268 4.584 -7.785 36 HE2 LYS 6 2HE LYS 6 -12.301 3.962 -9.952 37 HE3 LYS 6 1HE LYS 6 -12.022 2.330 -9.352 38 HZ1 LYS 6 3HZ LYS 6 -14.026 2.485 -10.676 39 HZ2 LYS 6 1HZ LYS 6 -14.663 3.634 -9.641 40 HZ3 LYS 6 2HZ LYS 6 -14.417 2.059 -9.096 41 H GLU 7 H GLU 7 -9.976 2.233 -3.414 42 HA GLU 7 HA GLU 7 -10.231 4.036 -1.155 43 HB2 GLU 7 2HB GLU 7 -8.685 1.485 -1.076 44 HB3 GLU 7 1HB GLU 7 -9.644 2.228 0.175 45 HG2 GLU 7 2HG GLU 7 -10.732 0.771 -2.219 46 HG3 GLU 7 1HG GLU 7 -10.573 0.086 -0.613 47 H TYR 8 H TYR 8 -8.405 5.107 -0.384 48 HA TYR 8 HA TYR 8 -5.921 4.659 -1.891 49 HD1 TYR 8 2HD TYR 8 -5.579 5.838 -4.307 50 HD2 TYR 8 1HD TYR 8 -8.932 7.777 -2.555 51 HE1 TYR 8 2HE TYR 8 -6.636 6.018 -6.525 52 HE2 TYR 8 1HE TYR 8 -9.990 7.960 -4.754 53 HH TYR 8 HH TYR 8 -9.227 8.034 -7.130 54 HB2 TYR 8 2HB TYR 8 -7.038 7.400 -1.246 55 HB3 TYR 8 1HB TYR 8 -5.502 7.064 -2.006 56 H CYS 9 H CYS 9 -4.141 4.730 -0.665 57 HA CYS 9 HA CYS 9 -4.476 5.685 2.086 58 HG CYS 9 HG CYS 9 -1.472 3.408 0.379 59 HB2 CYS 9 2HB CYS 9 -2.817 3.929 2.752 60 HB3 CYS 9 1HB CYS 9 -4.357 3.289 2.201 61 H ARG 10 H ARG 10 -2.860 6.952 2.892 62 HA ARG 10 HA ARG 10 -0.776 7.617 0.942 63 HE ARG 10 HE ARG 10 0.916 12.055 0.661 64 HB2 ARG 10 2HB ARG 10 -2.370 9.487 1.667 65 HB3 ARG 10 1HB ARG 10 -1.615 9.369 3.251 66 HG2 ARG 10 2HG ARG 10 0.534 9.952 2.332 67 HG3 ARG 10 1HG ARG 10 -0.126 9.952 0.699 68 HD2 ARG 10 2HD ARG 10 -1.684 11.779 1.451 69 HD3 ARG 10 1HD ARG 10 -0.756 11.831 2.952 70 HH11 ARG 10 1HH1 ARG 10 -1.294 13.957 2.681 71 HH12 ARG 10 2HH1 ARG 10 -0.503 15.431 2.401 72 HH21 ARG 10 1HH2 ARG 10 1.992 14.130 0.233 73 HH22 ARG 10 2HH2 ARG 10 1.354 15.531 0.955 74 H THR 11 H THR 11 1.253 7.421 1.510 75 HA THR 11 HA THR 11 1.769 5.792 3.766 76 HB THR 11 HB THR 11 4.081 5.789 2.829 77 HG1 THR 11 1HG THR 11 4.455 6.943 0.981 78 HG21 THR 11 3HG2 THR 11 1.830 5.344 0.869 79 HG22 THR 11 1HG2 THR 11 2.364 4.196 2.095 80 HG23 THR 11 2HG2 THR 11 3.444 4.635 0.773 81 H LEU 12 H LEU 12 2.699 6.307 5.626 82 HA LEU 12 HA LEU 12 3.173 9.153 6.156 83 HG LEU 12 HG LEU 12 0.686 7.308 6.954 84 HB2 LEU 12 2HB LEU 12 2.814 6.842 8.062 85 HB3 LEU 12 1HB LEU 12 2.959 8.530 8.512 86 HD11 LEU 12 1HD1 LEU 12 0.650 6.663 9.277 87 HD12 LEU 12 2HD1 LEU 12 -0.635 7.830 8.951 88 HD13 LEU 12 3HD1 LEU 12 0.839 8.345 9.772 89 HD21 LEU 12 3HD2 LEU 12 1.123 10.139 7.905 90 HD22 LEU 12 1HD2 LEU 12 -0.380 9.511 7.229 91 HD23 LEU 12 2HD2 LEU 12 1.069 9.579 6.232 92 H PHE 13 H PHE 13 4.764 6.383 5.393 93 HA PHE 13 HA PHE 13 7.370 7.366 6.235 94 HD1 PHE 13 1HD PHE 13 8.332 6.519 9.088 95 HD2 PHE 13 2HD PHE 13 4.550 4.840 8.133 96 HE1 PHE 13 1HE PHE 13 7.568 6.942 11.382 97 HE2 PHE 13 2HE PHE 13 3.772 5.258 10.426 98 HZ PHE 13 HZ PHE 13 5.277 6.314 12.051 99 HB2 PHE 13 2HB PHE 13 6.423 4.517 6.711 100 HB3 PHE 13 1HB PHE 13 8.013 5.156 7.085 101 HA PRO 14 HA PRO 14 8.011 5.387 2.283 102 HB2 PRO 14 2HB PRO 14 10.696 5.401 2.168 103 HB3 PRO 14 1HB PRO 14 9.778 6.904 2.040 104 HG2 PRO 14 2HG PRO 14 11.280 5.800 4.360 105 HG3 PRO 14 1HG PRO 14 11.108 7.481 3.831 106 HD2 PRO 14 2HD PRO 14 9.658 6.260 5.882 107 HD3 PRO 14 1HD PRO 14 9.199 7.760 5.060 108 H TYR 15 H TYR 15 8.758 3.313 1.529 109 HA TYR 15 HA TYR 15 9.986 1.559 3.452 110 HD1 TYR 15 2HD TYR 15 9.014 -0.173 5.347 111 HD2 TYR 15 1HD TYR 15 7.407 -1.279 1.572 112 HE1 TYR 15 2HE TYR 15 9.370 -2.537 5.895 113 HE2 TYR 15 1HE TYR 15 7.762 -3.642 2.111 114 HH TYR 15 HH TYR 15 9.181 -4.916 3.505 115 HB2 TYR 15 2HB TYR 15 7.574 1.370 3.965 116 HB3 TYR 15 1HB TYR 15 7.256 0.951 2.290 117 H THR 16 H THR 16 11.314 0.269 2.451 118 HA THR 16 HA THR 16 11.079 0.050 -0.449 119 HB THR 16 HB THR 16 13.594 -0.092 1.230 120 HG1 THR 16 1HG THR 16 12.769 1.913 1.403 121 HG21 THR 16 3HG2 THR 16 14.735 0.279 -0.921 122 HG22 THR 16 1HG2 THR 16 13.178 0.309 -1.749 123 HG23 THR 16 2HG2 THR 16 13.742 -1.177 -0.988 124 H GLY 17 H GLY 17 10.729 -1.944 -1.204 125 HA2 GLY 17 2HA GLY 17 10.991 -4.259 0.534 126 HA3 GLY 17 1HA GLY 17 10.356 -4.204 -1.105 127 H THR 18 H THR 18 12.448 -6.011 -0.008 128 HA THR 18 HA THR 18 14.747 -5.019 -1.501 129 HB THR 18 HB THR 18 15.089 -6.014 0.819 130 HG1 THR 18 1HG THR 18 16.663 -6.031 -0.999 131 HG21 THR 18 3HG2 THR 18 14.442 -8.617 -0.585 132 HG22 THR 18 1HG2 THR 18 13.452 -7.837 0.649 133 HG23 THR 18 2HG2 THR 18 15.053 -8.459 1.063 134 H ASN 19 H ASN 19 12.021 -6.399 -2.167 135 HA ASN 19 HA ASN 19 12.978 -7.826 -4.483 136 HB2 ASN 19 2HB ASN 19 11.441 -9.684 -4.101 137 HB3 ASN 19 1HB ASN 19 12.572 -9.580 -2.761 138 HD21 ASN 19 1HD2 ASN 19 11.780 -9.038 -0.723 139 HD22 ASN 19 2HD2 ASN 19 10.100 -9.000 -0.369 140 H GLU 20 H GLU 20 10.997 -8.140 -5.964 141 HA GLU 20 HA GLU 20 9.693 -5.554 -6.011 142 HB2 GLU 20 2HB GLU 20 9.735 -7.757 -8.067 143 HB3 GLU 20 1HB GLU 20 9.069 -6.148 -8.308 144 HG2 GLU 20 2HG GLU 20 11.281 -5.177 -7.963 145 HG3 GLU 20 1HG GLU 20 11.946 -6.789 -7.709 146 H ASP 21 H ASP 21 8.880 -8.552 -4.840 147 HA ASP 21 HA ASP 21 6.055 -8.415 -5.494 148 HB2 ASP 21 2HB ASP 21 7.120 -10.618 -5.282 149 HB3 ASP 21 1HB ASP 21 7.581 -10.266 -3.627 150 H GLU 22 H GLU 22 8.198 -7.403 -3.069 151 HA GLU 22 HA GLU 22 6.074 -6.562 -1.281 152 HB2 GLU 22 2HB GLU 22 8.264 -7.642 -0.511 153 HB3 GLU 22 1HB GLU 22 9.077 -6.199 -1.080 154 HG2 GLU 22 2HG GLU 22 7.942 -4.861 0.520 155 HG3 GLU 22 1HG GLU 22 6.945 -6.228 1.030 156 H LEU 23 H LEU 23 5.496 -4.388 -1.265 157 HA LEU 23 HA LEU 23 6.399 -3.070 -3.665 158 HG LEU 23 HG LEU 23 3.040 -1.534 -4.117 159 HB2 LEU 23 2HB LEU 23 3.973 -3.453 -3.237 160 HB3 LEU 23 1HB LEU 23 4.059 -2.318 -1.916 161 HD11 LEU 23 1HD1 LEU 23 4.027 0.724 -3.970 162 HD12 LEU 23 2HD1 LEU 23 5.287 0.080 -2.915 163 HD13 LEU 23 3HD1 LEU 23 3.601 0.059 -2.395 164 HD21 LEU 23 3HD2 LEU 23 4.558 -0.729 -5.837 165 HD22 LEU 23 1HD2 LEU 23 4.691 -2.472 -5.620 166 HD23 LEU 23 2HD2 LEU 23 5.930 -1.399 -4.960 167 H THR 24 H THR 24 7.491 -1.375 -3.831 168 HA THR 24 HA THR 24 8.660 -0.125 -1.463 169 HB THR 24 HB THR 24 9.441 -0.088 -4.382 170 HG1 THR 24 1HG THR 24 9.763 -2.031 -3.484 171 HG21 THR 24 3HG2 THR 24 10.917 1.073 -1.985 172 HG22 THR 24 1HG2 THR 24 10.206 1.968 -3.315 173 HG23 THR 24 2HG2 THR 24 11.588 0.922 -3.606 174 H PHE 25 H PHE 25 7.933 1.804 -0.853 175 HA PHE 25 HA PHE 25 6.958 3.643 -2.878 176 HD1 PHE 25 2HD PHE 25 6.155 4.448 1.068 177 HD2 PHE 25 1HD PHE 25 4.320 1.046 -0.678 178 HE1 PHE 25 2HE PHE 25 5.699 3.546 3.309 179 HE2 PHE 25 1HE PHE 25 3.855 0.150 1.540 180 HZ PHE 25 HZ PHE 25 4.543 1.390 3.548 181 HB2 PHE 25 2HB PHE 25 5.123 4.374 -1.348 182 HB3 PHE 25 1HB PHE 25 4.922 2.778 -2.042 183 H ARG 26 H ARG 26 6.879 5.839 -2.224 184 HA ARG 26 HA ARG 26 9.011 6.558 -0.368 185 HE ARG 26 HE ARG 26 5.537 9.463 -4.421 186 HB2 ARG 26 2HB ARG 26 8.804 8.812 -1.344 187 HB3 ARG 26 1HB ARG 26 9.022 7.620 -2.611 188 HG2 ARG 26 2HG ARG 26 6.664 7.707 -3.146 189 HG3 ARG 26 1HG ARG 26 6.380 8.783 -1.777 190 HD2 ARG 26 2HD ARG 26 7.771 10.496 -2.820 191 HD3 ARG 26 1HD ARG 26 8.092 9.411 -4.175 192 HH11 ARG 26 1HH1 ARG 26 7.424 12.283 -3.386 193 HH12 ARG 26 2HH1 ARG 26 6.355 13.408 -4.061 194 HH21 ARG 26 1HH2 ARG 26 4.125 10.897 -5.271 195 HH22 ARG 26 2HH2 ARG 26 4.335 12.597 -5.220 196 H GLU 27 H GLU 27 8.432 8.608 0.990 197 HA GLU 27 HA GLU 27 6.076 8.048 2.503 198 HB2 GLU 27 2HB GLU 27 8.316 8.796 3.379 199 HB3 GLU 27 1HB GLU 27 7.991 10.366 2.669 200 HG2 GLU 27 2HG GLU 27 5.929 10.469 4.065 201 HG3 GLU 27 1HG GLU 27 6.483 9.002 4.866 202 H GLY 28 H GLY 28 4.224 9.372 2.588 203 HA2 GLY 28 2HA GLY 28 2.852 11.171 2.185 204 HA3 GLY 28 1HA GLY 28 4.172 11.952 1.332 205 H GLU 29 H GLU 29 3.377 8.770 0.358 206 HA GLU 29 HA GLU 29 2.448 9.908 -2.159 207 HB2 GLU 29 2HB GLU 29 4.419 8.399 -2.199 208 HB3 GLU 29 1HB GLU 29 3.387 7.126 -1.547 209 HG2 GLU 29 2HG GLU 29 3.727 6.917 -3.959 210 HG3 GLU 29 1HG GLU 29 2.032 7.127 -3.518 211 H ILE 30 H ILE 30 0.691 9.109 -3.170 212 HA ILE 30 HA ILE 30 -1.386 7.984 -1.431 213 HB ILE 30 HB ILE 30 -1.588 9.302 -4.162 214 HG12 ILE 30 2HG1 ILE 30 -1.012 10.848 -2.288 215 HG13 ILE 30 1HG1 ILE 30 -2.563 11.209 -3.058 216 HG21 ILE 30 1HG2 ILE 30 -3.339 7.644 -3.876 217 HG22 ILE 30 2HG2 ILE 30 -4.030 9.265 -3.811 218 HG23 ILE 30 3HG2 ILE 30 -3.783 8.354 -2.324 219 HD11 ILE 30 3HD1 ILE 30 -2.143 9.794 -0.433 220 HD12 ILE 30 1HD1 ILE 30 -3.707 10.125 -1.178 221 HD13 ILE 30 2HD1 ILE 30 -2.687 11.459 -0.648 222 H ILE 31 H ILE 31 -1.736 5.919 -1.670 223 HA ILE 31 HA ILE 31 -0.972 4.616 -4.193 224 HB ILE 31 HB ILE 31 -1.126 3.424 -1.400 225 HG12 ILE 31 2HG1 ILE 31 1.266 4.014 -3.153 226 HG13 ILE 31 1HG1 ILE 31 0.818 4.884 -1.693 227 HG21 ILE 31 1HG2 ILE 31 -1.743 1.778 -3.084 228 HG22 ILE 31 2HG2 ILE 31 -0.168 1.388 -2.392 229 HG23 ILE 31 3HG2 ILE 31 -0.272 2.130 -3.992 230 HD11 ILE 31 3HD1 ILE 31 1.663 1.998 -1.849 231 HD12 ILE 31 1HD1 ILE 31 1.208 2.860 -0.378 232 HD13 ILE 31 2HD1 ILE 31 2.643 3.348 -1.275 233 H HIS 32 H HIS 32 -2.491 3.333 -5.181 234 HA HIS 32 HA HIS 32 -5.207 3.584 -4.196 235 HD1 HIS 32 1HD HIS 32 -5.658 1.149 -8.181 236 HD2 HIS 32 2HD HIS 32 -7.643 3.452 -5.350 237 HE1 HIS 32 1HE HIS 32 -8.115 0.583 -8.403 238 HB2 HIS 32 2HB HIS 32 -4.790 4.049 -6.592 239 HB3 HIS 32 1HB HIS 32 -4.078 2.453 -6.782 240 H LEU 33 H LEU 33 -6.107 2.024 -3.101 241 HA LEU 33 HA LEU 33 -4.531 -0.259 -2.358 242 HG LEU 33 HG LEU 33 -5.156 -0.880 0.085 243 HB2 LEU 33 2HB LEU 33 -6.068 1.303 -0.920 244 HB3 LEU 33 1HB LEU 33 -7.345 0.331 -1.618 245 HD11 LEU 33 1HD1 LEU 33 -7.883 0.109 0.893 246 HD12 LEU 33 2HD1 LEU 33 -6.337 0.822 1.358 247 HD13 LEU 33 3HD1 LEU 33 -6.765 -0.796 1.912 248 HD21 LEU 33 3HD2 LEU 33 -7.933 -1.823 -0.607 249 HD22 LEU 33 1HD2 LEU 33 -6.740 -2.684 0.363 250 HD23 LEU 33 2HD2 LEU 33 -6.449 -2.411 -1.355 251 H ILE 34 H ILE 34 -4.826 -2.274 -3.075 252 HA ILE 34 HA ILE 34 -7.009 -2.722 -4.967 253 HB ILE 34 HB ILE 34 -4.356 -4.178 -4.757 254 HG12 ILE 34 2HG1 ILE 34 -5.488 -2.309 -6.864 255 HG13 ILE 34 1HG1 ILE 34 -4.095 -2.042 -5.830 256 HG21 ILE 34 1HG2 ILE 34 -6.090 -5.781 -5.361 257 HG22 ILE 34 2HG2 ILE 34 -5.039 -5.460 -6.742 258 HG23 ILE 34 3HG2 ILE 34 -6.640 -4.725 -6.664 259 HD11 ILE 34 3HD1 ILE 34 -2.841 -3.727 -6.964 260 HD12 ILE 34 1HD1 ILE 34 -3.511 -2.610 -8.157 261 HD13 ILE 34 2HD1 ILE 34 -4.247 -4.194 -7.917 262 H SER 35 H SER 35 -5.286 -4.159 -2.219 263 HA SER 35 HA SER 35 -7.699 -5.602 -1.560 264 HG SER 35 HG SER 35 -7.304 -6.493 -3.556 265 HB2 SER 35 2HB SER 35 -5.105 -7.049 -2.120 266 HB3 SER 35 1HB SER 35 -6.535 -7.793 -1.418 267 H LYS 36 H LYS 36 -7.991 -5.613 0.547 268 HA LYS 36 HA LYS 36 -5.820 -4.893 2.348 269 HB2 LYS 36 2HB LYS 36 -8.794 -5.274 2.784 270 HB3 LYS 36 1HB LYS 36 -7.673 -5.056 4.117 271 HG2 LYS 36 2HG LYS 36 -7.058 -2.863 3.259 272 HG3 LYS 36 1HG LYS 36 -8.150 -3.045 1.899 273 HD2 LYS 36 2HD LYS 36 -10.054 -3.162 3.433 274 HD3 LYS 36 1HD LYS 36 -8.955 -3.043 4.810 275 HE2 LYS 36 2HE LYS 36 -8.213 -0.832 3.994 276 HE3 LYS 36 1HE LYS 36 -9.353 -0.964 2.660 277 HZ1 LYS 36 3HZ LYS 36 -10.116 -0.906 5.538 278 HZ2 LYS 36 1HZ LYS 36 -11.178 -0.902 4.231 279 HZ3 LYS 36 2HZ LYS 36 -10.163 0.412 4.514 280 H GLU 37 H GLU 37 -7.580 -7.601 1.222 281 HA GLU 37 HA GLU 37 -6.478 -9.301 3.286 282 HB2 GLU 37 2HB GLU 37 -8.451 -9.927 1.081 283 HB3 GLU 37 1HB GLU 37 -7.782 -11.125 2.165 284 HG2 GLU 37 2HG GLU 37 -9.920 -10.650 2.986 285 HG3 GLU 37 1HG GLU 37 -8.799 -9.804 4.042 286 H THR 38 H THR 38 -4.470 -9.870 2.857 287 HA THR 38 HA THR 38 -3.778 -10.621 0.106 288 HB THR 38 HB THR 38 -1.399 -10.361 0.948 289 HG1 THR 38 1HG THR 38 -2.197 -8.668 2.974 290 HG21 THR 38 3HG2 THR 38 -3.200 -7.926 1.015 291 HG22 THR 38 1HG2 THR 38 -2.471 -8.627 -0.429 292 HG23 THR 38 2HG2 THR 38 -1.451 -7.888 0.808 293 H GLY 39 H GLY 39 -4.647 -11.842 2.972 294 HA2 GLY 39 2HA GLY 39 -4.783 -14.253 3.280 295 HA3 GLY 39 1HA GLY 39 -3.175 -14.370 2.563 296 H GLU 40 H GLU 40 -2.612 -11.810 4.088 297 HA GLU 40 HA GLU 40 -2.187 -12.951 6.759 298 HB2 GLU 40 2HB GLU 40 -0.265 -11.296 5.127 299 HB3 GLU 40 1HB GLU 40 -0.033 -11.750 6.808 300 HG2 GLU 40 2HG GLU 40 0.076 -14.085 6.180 301 HG3 GLU 40 1HG GLU 40 -0.229 -13.659 4.496 302 H ALA 41 H ALA 41 -2.892 -11.636 8.311 303 HA ALA 41 HA ALA 41 -4.064 -9.120 7.599 304 HB1 ALA 41 1HB ALA 41 -5.145 -10.565 9.249 305 HB2 ALA 41 2HB ALA 41 -4.720 -9.008 9.964 306 HB3 ALA 41 3HB ALA 41 -3.731 -10.431 10.291 307 H GLY 42 H GLY 42 -2.928 -7.360 7.413 308 HA2 GLY 42 2HA GLY 42 -1.585 -5.756 8.783 309 HA3 GLY 42 1HA GLY 42 -0.449 -7.092 8.986 310 H TRP 43 H TRP 43 -1.321 -7.811 6.114 311 HA TRP 43 HA TRP 43 0.532 -5.951 4.841 312 HD1 TRP 43 HD TRP 43 1.014 -9.775 6.398 313 HE1 TRP 43 1HE TRP 43 3.454 -9.899 7.199 314 HE3 TRP 43 3HE TRP 43 3.121 -6.486 3.102 315 HZ2 TRP 43 2HZ TRP 43 5.952 -8.745 6.516 316 HZ3 TRP 43 3HZ TRP 43 5.535 -6.056 3.242 317 HH2 TRP 43 HH TRP 43 6.918 -7.164 4.914 318 HB2 TRP 43 2HB TRP 43 -0.094 -8.833 4.167 319 HB3 TRP 43 1HB TRP 43 0.880 -7.777 3.156 320 H TRP 44 H TRP 44 -0.271 -4.669 3.418 321 HA TRP 44 HA TRP 44 -2.909 -5.231 2.255 322 HD1 TRP 44 HD TRP 44 -3.703 -4.997 4.382 323 HE1 TRP 44 1HE TRP 44 -5.522 -3.882 5.799 324 HE3 TRP 44 3HE TRP 44 -3.250 -0.210 2.663 325 HZ2 TRP 44 2HZ TRP 44 -6.625 -1.312 6.155 326 HZ3 TRP 44 3HZ TRP 44 -4.732 1.519 3.597 327 HH2 TRP 44 HH TRP 44 -6.392 0.964 5.306 328 HB2 TRP 44 2HB TRP 44 -1.472 -2.697 2.949 329 HB3 TRP 44 1HB TRP 44 -2.661 -2.699 1.658 330 H LYS 45 H LYS 45 -3.201 -4.767 0.073 331 HA LYS 45 HA LYS 45 -0.720 -4.545 -1.440 332 HB2 LYS 45 2HB LYS 45 -1.708 -6.720 -1.918 333 HB3 LYS 45 1HB LYS 45 -3.268 -5.974 -2.227 334 HG2 LYS 45 2HG LYS 45 -2.433 -4.845 -4.184 335 HG3 LYS 45 1HG LYS 45 -0.800 -5.402 -3.856 336 HD2 LYS 45 2HD LYS 45 -3.122 -7.219 -4.459 337 HD3 LYS 45 1HD LYS 45 -1.985 -6.631 -5.672 338 HE2 LYS 45 2HE LYS 45 -0.143 -7.637 -4.313 339 HE3 LYS 45 1HE LYS 45 -1.382 -8.368 -3.290 340 HZ1 LYS 45 3HZ LYS 45 -0.632 -9.900 -4.997 341 HZ2 LYS 45 1HZ LYS 45 -1.060 -8.792 -6.198 342 HZ3 LYS 45 2HZ LYS 45 -2.246 -9.513 -5.236 343 H GLY 46 H GLY 46 -0.537 -2.899 -2.686 344 HA2 GLY 46 2HA GLY 46 -2.869 -1.491 -3.664 345 HA3 GLY 46 1HA GLY 46 -1.654 -0.581 -2.747 346 H GLU 47 H GLU 47 -2.076 0.137 -5.304 347 HA GLU 47 HA GLU 47 0.215 -1.064 -6.654 348 HB2 GLU 47 2HB GLU 47 -1.954 -1.516 -7.728 349 HB3 GLU 47 1HB GLU 47 -2.203 0.207 -7.937 350 HG2 GLU 47 2HG GLU 47 0.195 -1.142 -9.098 351 HG3 GLU 47 1HG GLU 47 -1.352 -1.270 -9.917 352 H LEU 48 H LEU 48 1.795 0.122 -7.143 353 HA LEU 48 HA LEU 48 1.601 2.918 -7.666 354 HG LEU 48 HG LEU 48 4.311 3.836 -6.549 355 HB2 LEU 48 2HB LEU 48 1.797 2.884 -5.188 356 HB3 LEU 48 1HB LEU 48 3.261 1.932 -5.343 357 HD11 LEU 48 1HD1 LEU 48 1.825 5.312 -5.721 358 HD12 LEU 48 2HD1 LEU 48 2.348 4.962 -7.372 359 HD13 LEU 48 3HD1 LEU 48 3.290 6.054 -6.361 360 HD21 LEU 48 3HD2 LEU 48 3.304 4.440 -3.774 361 HD22 LEU 48 1HD2 LEU 48 4.700 5.177 -4.558 362 HD23 LEU 48 2HD2 LEU 48 4.711 3.456 -4.183 363 H ASN 49 H ASN 49 3.206 3.467 -9.033 364 HA ASN 49 HA ASN 49 5.039 3.411 -10.376 365 HB2 ASN 49 2HB ASN 49 6.111 1.110 -8.694 366 HB3 ASN 49 1HB ASN 49 7.013 2.014 -9.897 367 HD21 ASN 49 1HD2 ASN 49 5.836 1.904 -6.710 368 HD22 ASN 49 2HD2 ASN 49 6.573 3.352 -6.127 369 H GLY 50 H GLY 50 2.653 1.422 -10.397 370 HA2 GLY 50 2HA GLY 50 1.849 0.353 -12.258 371 HA3 GLY 50 1HA GLY 50 3.499 0.192 -12.870 372 H LYS 51 H LYS 51 3.068 -0.515 -9.555 373 HA LYS 51 HA LYS 51 3.224 -3.382 -10.170 374 HB2 LYS 51 2HB LYS 51 4.613 -2.052 -7.880 375 HB3 LYS 51 1HB LYS 51 4.841 -3.675 -8.499 376 HG2 LYS 51 2HG LYS 51 5.644 -1.116 -9.801 377 HG3 LYS 51 1HG LYS 51 6.667 -2.312 -8.969 378 HD2 LYS 51 2HD LYS 51 5.016 -2.918 -11.384 379 HD3 LYS 51 1HD LYS 51 6.677 -2.363 -11.503 380 HE2 LYS 51 2HE LYS 51 7.245 -4.371 -9.963 381 HE3 LYS 51 1HE LYS 51 5.591 -4.895 -10.233 382 HZ1 LYS 51 3HZ LYS 51 7.095 -6.003 -11.723 383 HZ2 LYS 51 1HZ LYS 51 7.651 -4.532 -12.310 384 HZ3 LYS 51 2HZ LYS 51 6.065 -4.998 -12.616 385 H GLU 52 H GLU 52 2.536 -4.593 -8.569 386 HA GLU 52 HA GLU 52 1.101 -3.358 -6.429 387 HB2 GLU 52 2HB GLU 52 -0.835 -5.013 -6.690 388 HB3 GLU 52 1HB GLU 52 -0.785 -3.705 -7.847 389 HG2 GLU 52 2HG GLU 52 -1.467 -5.667 -8.994 390 HG3 GLU 52 1HG GLU 52 0.178 -5.325 -9.504 391 H GLY 53 H GLY 53 1.466 -4.226 -4.568 392 HA2 GLY 53 2HA GLY 53 2.431 -6.926 -4.390 393 HA3 GLY 53 1HA GLY 53 3.645 -5.686 -4.089 394 H VAL 54 H VAL 54 3.725 -6.565 -1.962 395 HA VAL 54 HA VAL 54 1.399 -5.732 -0.391 396 HB VAL 54 HB VAL 54 2.047 -7.393 1.315 397 HG11 VAL 54 1HG1 VAL 54 0.369 -7.946 -0.359 398 HG12 VAL 54 2HG1 VAL 54 1.299 -9.364 0.119 399 HG13 VAL 54 3HG1 VAL 54 1.629 -8.576 -1.426 400 HG21 VAL 54 3HG2 VAL 54 4.431 -7.577 0.823 401 HG22 VAL 54 1HG2 VAL 54 4.068 -8.323 -0.734 402 HG23 VAL 54 2HG2 VAL 54 3.662 -9.165 0.764 403 H PHE 55 H PHE 55 1.689 -4.716 1.496 404 HA PHE 55 HA PHE 55 4.330 -4.026 2.369 405 HD1 PHE 55 1HD PHE 55 1.855 -0.723 3.338 406 HD2 PHE 55 2HD PHE 55 1.834 -2.329 -0.607 407 HE1 PHE 55 1HE PHE 55 -0.320 0.347 2.916 408 HE2 PHE 55 2HE PHE 55 -0.338 -1.263 -1.028 409 HZ PHE 55 HZ PHE 55 -1.419 0.073 0.728 410 HB2 PHE 55 2HB PHE 55 3.904 -1.613 2.318 411 HB3 PHE 55 1HB PHE 55 3.866 -2.307 0.697 412 HA PRO 56 HA PRO 56 2.143 -4.235 6.212 413 HB2 PRO 56 2HB PRO 56 3.864 -2.200 7.431 414 HB3 PRO 56 1HB PRO 56 3.802 -3.930 7.757 415 HG2 PRO 56 2HG PRO 56 5.905 -2.779 6.510 416 HG3 PRO 56 1HG PRO 56 5.368 -4.428 6.145 417 HD2 PRO 56 2HD PRO 56 4.825 -1.888 4.649 418 HD3 PRO 56 1HD PRO 56 5.291 -3.485 4.024 419 H ASP 57 H ASP 57 0.326 -3.380 6.838 420 HA ASP 57 HA ASP 57 -0.744 -1.005 5.744 421 HB2 ASP 57 2HB ASP 57 -2.760 -1.506 6.905 422 HB3 ASP 57 1HB ASP 57 -2.051 -3.055 6.478 423 H ASN 58 H ASN 58 1.103 -1.492 8.560 424 HA ASN 58 HA ASN 58 0.083 0.724 10.087 425 HB2 ASN 58 2HB ASN 58 2.504 -1.035 10.419 426 HB3 ASN 58 1HB ASN 58 2.263 0.377 11.422 427 HD21 ASN 58 1HD2 ASN 58 -0.461 -1.638 10.386 428 HD22 ASN 58 2HD2 ASN 58 -0.741 -2.296 11.938 429 H PHE 59 H PHE 59 1.942 0.700 7.342 430 HA PHE 59 HA PHE 59 3.509 3.038 8.155 431 HD1 PHE 59 1HD PHE 59 3.969 -0.299 8.100 432 HD2 PHE 59 2HD PHE 59 6.850 2.517 6.751 433 HE1 PHE 59 1HE PHE 59 5.697 -1.429 9.442 434 HE2 PHE 59 2HE PHE 59 8.576 1.401 8.097 435 HZ PHE 59 HZ PHE 59 8.005 -0.570 9.442 436 HB2 PHE 59 2HB PHE 59 3.811 1.142 5.830 437 HB3 PHE 59 1HB PHE 59 4.704 2.655 5.927 438 H ALA 60 H ALA 60 0.566 2.541 6.894 439 HA ALA 60 HA ALA 60 0.615 5.055 5.432 440 HB1 ALA 60 1HB ALA 60 -0.691 4.121 3.587 441 HB2 ALA 60 2HB ALA 60 -0.597 2.519 4.317 442 HB3 ALA 60 3HB ALA 60 0.867 3.303 3.721 443 H VAL 61 H VAL 61 -1.485 6.015 5.269 444 HA VAL 61 HA VAL 61 -3.439 4.868 7.133 445 HB VAL 61 HB VAL 61 -2.340 6.900 8.080 446 HG11 VAL 61 1HG1 VAL 61 -3.530 8.367 5.744 447 HG12 VAL 61 2HG1 VAL 61 -1.816 8.112 6.071 448 HG13 VAL 61 3HG1 VAL 61 -2.778 9.123 7.150 449 HG21 VAL 61 3HG2 VAL 61 -4.391 8.154 8.669 450 HG22 VAL 61 1HG2 VAL 61 -4.591 6.405 8.801 451 HG23 VAL 61 2HG2 VAL 61 -5.255 7.266 7.414 452 H GLN 62 H GLN 62 -5.582 4.880 6.437 453 HA GLN 62 HA GLN 62 -5.820 5.154 3.611 454 HB2 GLN 62 2HB GLN 62 -6.764 3.176 4.606 455 HB3 GLN 62 1HB GLN 62 -7.764 4.141 5.685 456 HG2 GLN 62 2HG GLN 62 -9.146 4.847 3.941 457 HG3 GLN 62 1HG GLN 62 -8.005 4.324 2.716 458 HE21 GLN 62 1HE2 GLN 62 -9.628 3.242 1.743 459 HE22 GLN 62 2HE2 GLN 62 -10.212 1.707 2.272 460 H ILE 63 H ILE 63 -6.578 6.703 2.535 461 HA ILE 63 HA ILE 63 -7.474 9.170 3.853 462 HB ILE 63 HB ILE 63 -6.759 8.663 0.953 463 HG12 ILE 63 2HG1 ILE 63 -4.874 8.089 2.333 464 HG13 ILE 63 1HG1 ILE 63 -4.549 9.564 1.436 465 HG21 ILE 63 1HG2 ILE 63 -6.377 11.080 0.837 466 HG22 ILE 63 2HG2 ILE 63 -6.910 11.236 2.509 467 HG23 ILE 63 3HG2 ILE 63 -8.042 10.688 1.271 468 HD11 ILE 63 3HD1 ILE 63 -3.700 9.751 3.717 469 HD12 ILE 63 1HD1 ILE 63 -5.302 9.388 4.359 470 HD13 ILE 63 2HD1 ILE 63 -5.027 10.884 3.469 471 H SER 64 H SER 64 -8.478 6.660 1.668 472 HA SER 64 HA SER 64 -11.169 7.716 1.580 473 HG SER 64 HG SER 64 -11.475 6.405 -1.621 474 HB2 SER 64 2HB SER 64 -9.979 8.382 -0.542 475 HB3 SER 64 1HB SER 64 -9.588 6.686 -0.810 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -11.683 -10.013 4.580 2 H2 GLY 1 2HT GLY 1 -12.392 -8.491 4.707 3 H3 GLY 1 3HT GLY 1 -10.733 -8.658 4.936 4 HA2 GLY 1 1HA GLY 1 -10.442 -9.264 2.636 5 HA3 GLY 1 2HA GLY 1 -12.185 -9.140 2.415 6 H ALA 2 H ALA 2 -11.564 -7.519 0.764 7 HA ALA 2 HA ALA 2 -10.851 -4.966 1.987 8 HB1 ALA 2 1HB ALA 2 -9.495 -5.607 0.026 9 HB2 ALA 2 2HB ALA 2 -10.438 -4.153 -0.282 10 HB3 ALA 2 3HB ALA 2 -10.963 -5.698 -0.951 11 H MET 3 H MET 3 -12.574 -3.985 2.722 12 HA MET 3 HA MET 3 -15.204 -4.538 1.792 13 HB2 MET 3 2HB MET 3 -15.952 -2.967 3.502 14 HB3 MET 3 1HB MET 3 -14.745 -4.056 4.165 15 HG2 MET 3 2HG MET 3 -14.230 -1.223 3.264 16 HG3 MET 3 1HG MET 3 -14.485 -1.727 4.932 17 HE1 MET 3 3HE MET 3 -11.986 -0.032 3.797 18 HE2 MET 3 1HE MET 3 -10.657 -0.769 4.694 19 HE3 MET 3 2HE MET 3 -12.185 -0.431 5.504 20 H GLY 4 H GLY 4 -12.911 -2.623 0.667 21 HA2 GLY 4 2HA GLY 4 -14.804 -1.125 -0.943 22 HA3 GLY 4 1HA GLY 4 -13.556 -0.225 -0.077 23 H ALA 5 H ALA 5 -13.980 -0.585 -2.951 24 HA ALA 5 HA ALA 5 -11.426 -1.886 -3.585 25 HB1 ALA 5 1HB ALA 5 -13.837 -1.500 -5.360 26 HB2 ALA 5 2HB ALA 5 -13.349 -3.012 -4.597 27 HB3 ALA 5 3HB ALA 5 -12.324 -2.277 -5.831 28 H LYS 6 H LYS 6 -12.410 0.993 -2.860 29 HA LYS 6 HA LYS 6 -10.826 2.306 -4.929 30 HB2 LYS 6 2HB LYS 6 -12.456 4.161 -5.007 31 HB3 LYS 6 1HB LYS 6 -13.123 2.661 -5.626 32 HG2 LYS 6 2HG LYS 6 -14.316 2.320 -3.513 33 HG3 LYS 6 1HG LYS 6 -13.638 3.826 -2.891 34 HD2 LYS 6 2HD LYS 6 -15.436 3.566 -5.303 35 HD3 LYS 6 1HD LYS 6 -15.937 4.119 -3.706 36 HE2 LYS 6 2HE LYS 6 -14.411 6.022 -3.880 37 HE3 LYS 6 1HE LYS 6 -13.884 5.467 -5.467 38 HZ1 LYS 6 3HZ LYS 6 -15.487 7.183 -5.709 39 HZ2 LYS 6 1HZ LYS 6 -16.615 6.376 -4.747 40 HZ3 LYS 6 2HZ LYS 6 -16.158 5.752 -6.249 41 H GLU 7 H GLU 7 -10.095 1.481 -2.412 42 HA GLU 7 HA GLU 7 -10.251 3.821 -0.691 43 HB2 GLU 7 2HB GLU 7 -8.883 1.209 -0.043 44 HB3 GLU 7 1HB GLU 7 -9.454 2.410 1.095 45 HG2 GLU 7 2HG GLU 7 -11.026 0.393 -0.462 46 HG3 GLU 7 1HG GLU 7 -10.976 0.658 1.278 47 H TYR 8 H TYR 8 -8.561 5.160 -0.489 48 HA TYR 8 HA TYR 8 -6.047 4.251 -1.678 49 HD1 TYR 8 2HD TYR 8 -9.125 6.602 -2.590 50 HD2 TYR 8 1HD TYR 8 -5.295 5.921 -4.303 51 HE1 TYR 8 2HE TYR 8 -10.148 6.494 -4.816 52 HE2 TYR 8 1HE TYR 8 -6.312 5.808 -6.536 53 HH TYR 8 HH TYR 8 -9.487 6.807 -7.107 54 HB2 TYR 8 2HB TYR 8 -6.939 7.130 -1.342 55 HB3 TYR 8 1HB TYR 8 -5.459 6.568 -2.054 56 H CYS 9 H CYS 9 -4.180 4.847 -0.641 57 HA CYS 9 HA CYS 9 -4.496 5.712 2.107 58 HG CYS 9 HG CYS 9 -3.216 3.094 -0.502 59 HB2 CYS 9 2HB CYS 9 -2.742 3.971 2.701 60 HB3 CYS 9 1HB CYS 9 -4.349 3.355 2.339 61 H ARG 10 H ARG 10 -2.925 7.040 2.787 62 HA ARG 10 HA ARG 10 -0.938 7.729 0.769 63 HE ARG 10 HE ARG 10 1.728 11.561 2.774 64 HB2 ARG 10 2HB ARG 10 -2.211 9.682 1.515 65 HB3 ARG 10 1HB ARG 10 -1.826 9.323 3.200 66 HG2 ARG 10 2HG ARG 10 0.561 9.644 2.704 67 HG3 ARG 10 1HG ARG 10 0.149 10.050 1.047 68 HD2 ARG 10 2HD ARG 10 -0.952 12.045 1.747 69 HD3 ARG 10 1HD ARG 10 -0.827 11.569 3.445 70 HH11 ARG 10 1HH1 ARG 10 -0.695 14.082 2.204 71 HH12 ARG 10 2HH1 ARG 10 0.470 15.321 2.077 72 HH21 ARG 10 1HH2 ARG 10 3.235 13.209 2.710 73 HH22 ARG 10 2HH2 ARG 10 2.758 14.836 2.402 74 H THR 11 H THR 11 1.130 7.546 1.158 75 HA THR 11 HA THR 11 2.182 5.700 2.965 76 HB THR 11 HB THR 11 4.292 6.701 2.134 77 HG1 THR 11 1HG THR 11 2.951 8.795 2.086 78 HG21 THR 11 3HG2 THR 11 3.061 5.027 0.766 79 HG22 THR 11 1HG2 THR 11 3.872 6.222 -0.247 80 HG23 THR 11 2HG2 THR 11 2.134 6.334 0.028 81 H LEU 12 H LEU 12 3.144 6.038 5.024 82 HA LEU 12 HA LEU 12 3.215 8.832 5.978 83 HG LEU 12 HG LEU 12 0.937 6.743 6.663 84 HB2 LEU 12 2HB LEU 12 3.169 6.261 7.557 85 HB3 LEU 12 1HB LEU 12 3.240 7.864 8.243 86 HD11 LEU 12 1HD1 LEU 12 -0.220 6.722 8.840 87 HD12 LEU 12 2HD1 LEU 12 1.260 7.257 9.627 88 HD13 LEU 12 3HD1 LEU 12 1.196 5.674 8.852 89 HD21 LEU 12 3HD2 LEU 12 -0.249 8.756 7.467 90 HD22 LEU 12 1HD2 LEU 12 1.104 9.146 6.408 91 HD23 LEU 12 2HD2 LEU 12 1.259 9.349 8.154 92 H PHE 13 H PHE 13 5.099 6.169 5.038 93 HA PHE 13 HA PHE 13 7.534 7.353 6.070 94 HD1 PHE 13 2HD PHE 13 8.318 7.217 8.717 95 HD2 PHE 13 1HD PHE 13 5.015 4.586 8.284 96 HE1 PHE 13 2HE PHE 13 7.462 7.938 10.908 97 HE2 PHE 13 1HE PHE 13 4.149 5.299 10.474 98 HZ PHE 13 HZ PHE 13 5.375 6.978 11.790 99 HB2 PHE 13 2HB PHE 13 6.749 4.499 6.753 100 HB3 PHE 13 1HB PHE 13 8.303 5.238 7.097 101 HA PRO 14 HA PRO 14 8.842 5.475 2.233 102 HB2 PRO 14 2HB PRO 14 11.544 5.569 2.605 103 HB3 PRO 14 1HB PRO 14 10.593 6.987 2.155 104 HG2 PRO 14 2HG PRO 14 11.654 6.172 4.814 105 HG3 PRO 14 1HG PRO 14 11.541 7.793 4.107 106 HD2 PRO 14 2HD PRO 14 9.791 6.821 5.973 107 HD3 PRO 14 1HD PRO 14 9.360 8.054 4.772 108 H TYR 15 H TYR 15 8.821 3.405 1.818 109 HA TYR 15 HA TYR 15 10.107 1.476 3.628 110 HD1 TYR 15 2HD TYR 15 8.441 -0.267 5.514 111 HD2 TYR 15 1HD TYR 15 7.395 -0.862 1.438 112 HE1 TYR 15 2HE TYR 15 8.236 -2.677 5.924 113 HE2 TYR 15 1HE TYR 15 7.176 -3.276 1.837 114 HH TYR 15 HH TYR 15 7.970 -4.976 3.413 115 HB2 TYR 15 2HB TYR 15 7.705 1.582 4.125 116 HB3 TYR 15 1HB TYR 15 7.326 1.362 2.429 117 H THR 16 H THR 16 11.228 -0.072 2.511 118 HA THR 16 HA THR 16 10.942 -0.021 -0.400 119 HB THR 16 HB THR 16 13.462 -0.557 1.196 120 HG1 THR 16 1HG THR 16 12.562 1.645 1.085 121 HG21 THR 16 3HG2 THR 16 13.422 -1.735 -0.972 122 HG22 THR 16 1HG2 THR 16 14.593 -0.416 -0.999 123 HG23 THR 16 2HG2 THR 16 13.026 -0.224 -1.787 124 H GLY 17 H GLY 17 10.549 -1.859 -1.387 125 HA2 GLY 17 2HA GLY 17 10.355 -4.249 0.260 126 HA3 GLY 17 1HA GLY 17 9.601 -3.983 -1.313 127 H THR 18 H THR 18 11.590 -6.003 -0.104 128 HA THR 18 HA THR 18 13.805 -5.586 -1.978 129 HB THR 18 HB THR 18 14.799 -7.632 -0.885 130 HG1 THR 18 1HG THR 18 13.166 -7.555 1.301 131 HG21 THR 18 3HG2 THR 18 14.000 -5.416 1.012 132 HG22 THR 18 1HG2 THR 18 15.404 -5.413 -0.053 133 HG23 THR 18 2HG2 THR 18 15.312 -6.562 1.283 134 H ASN 19 H ASN 19 11.153 -7.530 -1.203 135 HA ASN 19 HA ASN 19 11.414 -9.438 -3.320 136 HB2 ASN 19 2HB ASN 19 10.381 -10.174 -1.357 137 HB3 ASN 19 1HB ASN 19 9.370 -8.737 -1.243 138 HD21 ASN 19 1HD2 ASN 19 7.559 -9.835 -1.011 139 HD22 ASN 19 2HD2 ASN 19 6.813 -10.813 -2.234 140 H GLU 20 H GLU 20 10.202 -9.471 -5.142 141 HA GLU 20 HA GLU 20 9.667 -7.035 -6.430 142 HB2 GLU 20 2HB GLU 20 10.257 -9.092 -7.621 143 HB3 GLU 20 1HB GLU 20 8.733 -9.814 -7.133 144 HG2 GLU 20 2HG GLU 20 7.550 -8.041 -8.336 145 HG3 GLU 20 1HG GLU 20 9.107 -7.431 -8.891 146 H ASP 21 H ASP 21 7.646 -9.315 -4.728 147 HA ASP 21 HA ASP 21 5.215 -7.924 -5.499 148 HB2 ASP 21 2HB ASP 21 5.283 -10.434 -5.309 149 HB3 ASP 21 1HB ASP 21 5.512 -10.254 -3.577 150 H GLU 22 H GLU 22 7.529 -7.125 -3.483 151 HA GLU 22 HA GLU 22 5.743 -6.155 -1.374 152 HB2 GLU 22 2HB GLU 22 7.726 -7.517 -0.677 153 HB3 GLU 22 1HB GLU 22 8.774 -6.341 -1.449 154 HG2 GLU 22 2HG GLU 22 8.044 -4.652 0.150 155 HG3 GLU 22 1HG GLU 22 6.973 -5.832 0.903 156 H LEU 23 H LEU 23 5.558 -3.916 -1.148 157 HA LEU 23 HA LEU 23 6.201 -2.515 -3.633 158 HG LEU 23 HG LEU 23 3.827 -1.787 -4.412 159 HB2 LEU 23 2HB LEU 23 3.926 -2.681 -2.153 160 HB3 LEU 23 1HB LEU 23 4.592 -1.187 -1.550 161 HD11 LEU 23 1HD1 LEU 23 1.930 -1.465 -2.981 162 HD12 LEU 23 2HD1 LEU 23 2.119 -0.085 -4.062 163 HD13 LEU 23 3HD1 LEU 23 2.606 0.045 -2.373 164 HD21 LEU 23 3HD2 LEU 23 4.864 0.807 -3.259 165 HD22 LEU 23 1HD2 LEU 23 4.323 0.538 -4.915 166 HD23 LEU 23 2HD2 LEU 23 5.775 -0.270 -4.319 167 H THR 24 H THR 24 7.616 -0.835 -3.767 168 HA THR 24 HA THR 24 8.805 0.192 -1.300 169 HB THR 24 HB THR 24 9.674 0.395 -4.196 170 HG1 THR 24 1HG THR 24 10.733 -1.342 -3.830 171 HG21 THR 24 3HG2 THR 24 11.783 1.335 -3.320 172 HG22 THR 24 1HG2 THR 24 11.110 1.355 -1.689 173 HG23 THR 24 2HG2 THR 24 10.397 2.354 -2.940 174 H PHE 25 H PHE 25 8.075 2.101 -0.612 175 HA PHE 25 HA PHE 25 7.120 4.046 -2.536 176 HD1 PHE 25 2HD PHE 25 5.451 4.616 1.411 177 HD2 PHE 25 1HD PHE 25 5.057 0.997 -0.778 178 HE1 PHE 25 2HE PHE 25 4.895 3.424 3.487 179 HE2 PHE 25 1HE PHE 25 4.500 -0.197 1.282 180 HZ PHE 25 HZ PHE 25 4.416 1.008 3.423 181 HB2 PHE 25 2HB PHE 25 5.185 4.608 -1.012 182 HB3 PHE 25 1HB PHE 25 5.062 3.105 -1.901 183 H ARG 26 H ARG 26 7.086 6.230 -1.837 184 HA ARG 26 HA ARG 26 8.982 6.798 0.349 185 HE ARG 26 HE ARG 26 8.312 8.161 -4.041 186 HB2 ARG 26 2HB ARG 26 7.942 8.504 -1.903 187 HB3 ARG 26 1HB ARG 26 9.091 9.012 -0.681 188 HG2 ARG 26 2HG ARG 26 10.737 7.545 -1.524 189 HG3 ARG 26 1HG ARG 26 9.559 6.780 -2.601 190 HD2 ARG 26 2HD ARG 26 10.314 9.678 -2.690 191 HD3 ARG 26 1HD ARG 26 10.997 8.431 -3.732 192 HH11 ARG 26 1HH1 ARG 26 10.428 10.967 -4.336 193 HH12 ARG 26 2HH1 ARG 26 9.562 11.693 -5.600 194 HH21 ARG 26 1HH2 ARG 26 7.089 9.108 -5.758 195 HH22 ARG 26 2HH2 ARG 26 7.600 10.584 -6.463 196 H GLU 27 H GLU 27 8.330 9.178 1.129 197 HA GLU 27 HA GLU 27 5.564 8.918 2.034 198 HB2 GLU 27 2HB GLU 27 7.525 9.465 3.635 199 HB3 GLU 27 1HB GLU 27 7.515 11.058 2.907 200 HG2 GLU 27 2HG GLU 27 5.195 9.807 4.397 201 HG3 GLU 27 1HG GLU 27 6.327 10.961 5.072 202 H GLY 28 H GLY 28 4.092 9.912 1.045 203 HA2 GLY 28 2HA GLY 28 3.235 12.191 0.461 204 HA3 GLY 28 1HA GLY 28 4.721 12.392 -0.455 205 H GLU 29 H GLU 29 3.561 9.248 -0.693 206 HA GLU 29 HA GLU 29 2.425 9.922 -3.294 207 HB2 GLU 29 2HB GLU 29 3.810 7.375 -2.416 208 HB3 GLU 29 1HB GLU 29 3.152 7.690 -4.019 209 HG2 GLU 29 2HG GLU 29 4.727 9.540 -4.310 210 HG3 GLU 29 1HG GLU 29 5.391 9.228 -2.712 211 H ILE 30 H ILE 30 0.653 8.584 -4.040 212 HA ILE 30 HA ILE 30 -1.043 7.757 -1.789 213 HB ILE 30 HB ILE 30 -1.869 8.714 -4.549 214 HG12 ILE 30 2HG1 ILE 30 -0.970 10.563 -3.219 215 HG13 ILE 30 1HG1 ILE 30 -2.707 10.731 -3.407 216 HG21 ILE 30 1HG2 ILE 30 -4.158 8.747 -3.665 217 HG22 ILE 30 2HG2 ILE 30 -3.573 8.065 -2.148 218 HG23 ILE 30 3HG2 ILE 30 -3.466 7.122 -3.635 219 HD11 ILE 30 3HD1 ILE 30 -1.286 9.714 -0.950 220 HD12 ILE 30 1HD1 ILE 30 -3.032 9.889 -1.132 221 HD13 ILE 30 2HD1 ILE 30 -1.990 11.313 -1.165 222 H ILE 31 H ILE 31 -1.556 5.699 -1.656 223 HA ILE 31 HA ILE 31 -0.877 3.961 -3.929 224 HB ILE 31 HB ILE 31 -1.186 3.212 -1.000 225 HG12 ILE 31 2HG1 ILE 31 1.360 3.535 -2.606 226 HG13 ILE 31 1HG1 ILE 31 0.801 4.649 -1.367 227 HG21 ILE 31 1HG2 ILE 31 -0.163 1.077 -1.666 228 HG22 ILE 31 2HG2 ILE 31 -0.143 1.617 -3.342 229 HG23 ILE 31 3HG2 ILE 31 -1.681 1.374 -2.512 230 HD11 ILE 31 3HD1 ILE 31 1.567 1.771 -0.932 231 HD12 ILE 31 1HD1 ILE 31 1.027 2.895 0.314 232 HD13 ILE 31 2HD1 ILE 31 2.552 3.178 -0.530 233 H HIS 32 H HIS 32 -2.533 2.907 -4.860 234 HA HIS 32 HA HIS 32 -5.166 3.210 -3.674 235 HD1 HIS 32 1HD HIS 32 -6.296 0.992 -7.668 236 HD2 HIS 32 2HD HIS 32 -7.557 3.220 -4.394 237 HE1 HIS 32 1HE HIS 32 -8.769 0.676 -7.520 238 HB2 HIS 32 2HB HIS 32 -4.872 3.654 -6.109 239 HB3 HIS 32 1HB HIS 32 -4.353 1.988 -6.334 240 H LEU 33 H LEU 33 -6.148 1.628 -2.605 241 HA LEU 33 HA LEU 33 -4.669 -0.697 -1.918 242 HG LEU 33 HG LEU 33 -5.641 -1.704 0.306 243 HB2 LEU 33 2HB LEU 33 -6.177 0.671 -0.409 244 HB3 LEU 33 1HB LEU 33 -7.534 0.034 -1.297 245 HD11 LEU 33 1HD1 LEU 33 -6.734 -0.028 1.723 246 HD12 LEU 33 2HD1 LEU 33 -7.310 -1.650 2.066 247 HD13 LEU 33 3HD1 LEU 33 -8.306 -0.546 1.115 248 HD21 LEU 33 3HD2 LEU 33 -6.996 -2.853 -1.421 249 HD22 LEU 33 1HD2 LEU 33 -8.461 -2.206 -0.686 250 HD23 LEU 33 2HD2 LEU 33 -7.439 -3.344 0.206 251 H ILE 34 H ILE 34 -4.666 -2.501 -2.971 252 HA ILE 34 HA ILE 34 -6.696 -3.010 -5.008 253 HB ILE 34 HB ILE 34 -3.945 -4.218 -4.588 254 HG12 ILE 34 2HG1 ILE 34 -3.803 -1.937 -5.424 255 HG13 ILE 34 1HG1 ILE 34 -3.343 -3.061 -6.694 256 HG21 ILE 34 1HG2 ILE 34 -5.399 -5.899 -5.563 257 HG22 ILE 34 2HG2 ILE 34 -4.217 -5.337 -6.748 258 HG23 ILE 34 3HG2 ILE 34 -5.884 -4.766 -6.828 259 HD11 ILE 34 3HD1 ILE 34 -5.581 -2.785 -7.692 260 HD12 ILE 34 1HD1 ILE 34 -4.689 -1.266 -7.580 261 HD13 ILE 34 2HD1 ILE 34 -5.972 -1.614 -6.429 262 H SER 35 H SER 35 -5.095 -4.461 -2.189 263 HA SER 35 HA SER 35 -7.423 -6.142 -1.785 264 HG SER 35 HG SER 35 -6.717 -6.954 -3.829 265 HB2 SER 35 2HB SER 35 -4.665 -7.358 -2.063 266 HB3 SER 35 1HB SER 35 -6.142 -8.211 -1.655 267 H LYS 36 H LYS 36 -7.782 -6.538 0.344 268 HA LYS 36 HA LYS 36 -5.768 -5.682 2.306 269 HB2 LYS 36 2HB LYS 36 -8.739 -5.798 2.330 270 HB3 LYS 36 1HB LYS 36 -7.912 -6.119 3.841 271 HG2 LYS 36 2HG LYS 36 -6.862 -3.965 3.782 272 HG3 LYS 36 1HG LYS 36 -7.512 -3.635 2.184 273 HD2 LYS 36 2HD LYS 36 -8.756 -2.491 3.974 274 HD3 LYS 36 1HD LYS 36 -9.776 -3.586 3.066 275 HE2 LYS 36 2HE LYS 36 -10.286 -3.765 5.428 276 HE3 LYS 36 1HE LYS 36 -9.544 -5.263 4.889 277 HZ1 LYS 36 3HZ LYS 36 -8.707 -4.516 7.019 278 HZ2 LYS 36 1HZ LYS 36 -8.174 -3.074 6.341 279 HZ3 LYS 36 2HZ LYS 36 -7.471 -4.564 5.897 280 H GLU 37 H GLU 37 -7.148 -8.411 0.905 281 HA GLU 37 HA GLU 37 -6.327 -10.030 3.176 282 HB2 GLU 37 2HB GLU 37 -8.699 -10.240 2.638 283 HB3 GLU 37 1HB GLU 37 -8.309 -10.665 0.975 284 HG2 GLU 37 2HG GLU 37 -8.952 -12.576 2.409 285 HG3 GLU 37 1HG GLU 37 -7.357 -12.730 1.669 286 H THR 38 H THR 38 -4.270 -10.357 2.806 287 HA THR 38 HA THR 38 -3.367 -11.179 0.163 288 HB THR 38 HB THR 38 -1.121 -10.704 1.282 289 HG1 THR 38 1HG THR 38 -2.183 -8.978 3.068 290 HG21 THR 38 3HG2 THR 38 -2.179 -9.144 -0.325 291 HG22 THR 38 1HG2 THR 38 -1.364 -8.268 0.974 292 HG23 THR 38 2HG2 THR 38 -3.119 -8.442 0.993 293 H GLY 39 H GLY 39 -4.467 -12.571 2.865 294 HA2 GLY 39 2HA GLY 39 -4.227 -14.934 3.231 295 HA3 GLY 39 1HA GLY 39 -2.536 -14.786 2.747 296 H GLU 40 H GLU 40 -2.378 -12.222 4.160 297 HA GLU 40 HA GLU 40 -2.141 -13.261 6.881 298 HB2 GLU 40 2HB GLU 40 -0.367 -11.270 5.449 299 HB3 GLU 40 1HB GLU 40 -0.177 -11.781 7.120 300 HG2 GLU 40 2HG GLU 40 0.208 -14.083 6.351 301 HG3 GLU 40 1HG GLU 40 0.064 -13.537 4.685 302 H ALA 41 H ALA 41 -1.926 -11.290 8.415 303 HA ALA 41 HA ALA 41 -4.125 -9.445 7.796 304 HB1 ALA 41 1HB ALA 41 -4.442 -10.835 9.774 305 HB2 ALA 41 2HB ALA 41 -4.284 -9.137 10.221 306 HB3 ALA 41 3HB ALA 41 -2.926 -10.243 10.449 307 H GLY 42 H GLY 42 -3.764 -7.250 7.924 308 HA2 GLY 42 2HA GLY 42 -2.587 -5.295 8.452 309 HA3 GLY 42 1HA GLY 42 -1.227 -6.280 8.972 310 H TRP 43 H TRP 43 -1.243 -7.834 6.495 311 HA TRP 43 HA TRP 43 0.314 -6.015 4.914 312 HD1 TRP 43 HD TRP 43 0.893 -9.362 7.040 313 HE1 TRP 43 1HE TRP 43 3.362 -9.288 7.773 314 HE3 TRP 43 3HE TRP 43 2.852 -6.916 3.018 315 HZ2 TRP 43 2HZ TRP 43 5.817 -8.328 6.766 316 HZ3 TRP 43 3HZ TRP 43 5.266 -6.455 2.975 317 HH2 TRP 43 HH TRP 43 6.711 -7.145 4.808 318 HB2 TRP 43 2HB TRP 43 -0.261 -8.965 4.639 319 HB3 TRP 43 1HB TRP 43 0.661 -8.060 3.448 320 H TRP 44 H TRP 44 -0.534 -4.780 3.524 321 HA TRP 44 HA TRP 44 -3.012 -5.566 2.178 322 HD1 TRP 44 HD TRP 44 -3.704 -5.346 4.454 323 HE1 TRP 44 1HE TRP 44 -5.369 -4.331 6.087 324 HE3 TRP 44 3HE TRP 44 -3.655 -0.532 2.719 325 HZ2 TRP 44 2HZ TRP 44 -6.553 -1.797 6.566 326 HZ3 TRP 44 3HZ TRP 44 -5.089 1.122 3.821 327 HH2 TRP 44 HH TRP 44 -6.509 0.500 5.710 328 HB2 TRP 44 2HB TRP 44 -1.788 -2.861 2.733 329 HB3 TRP 44 1HB TRP 44 -3.115 -3.100 1.610 330 H LYS 45 H LYS 45 -3.127 -5.140 -0.022 331 HA LYS 45 HA LYS 45 -0.526 -4.852 -1.327 332 HB2 LYS 45 2HB LYS 45 -1.327 -7.103 -1.788 333 HB3 LYS 45 1HB LYS 45 -2.927 -6.495 -2.148 334 HG2 LYS 45 2HG LYS 45 -2.138 -5.467 -4.192 335 HG3 LYS 45 1HG LYS 45 -0.482 -5.926 -3.815 336 HD2 LYS 45 2HD LYS 45 -2.631 -8.008 -4.043 337 HD3 LYS 45 1HD LYS 45 -1.847 -7.369 -5.486 338 HE2 LYS 45 2HE LYS 45 -0.362 -8.603 -3.160 339 HE3 LYS 45 1HE LYS 45 -0.831 -9.482 -4.613 340 HZ1 LYS 45 3HZ LYS 45 1.013 -7.138 -4.537 341 HZ2 LYS 45 1HZ LYS 45 0.439 -7.911 -5.923 342 HZ3 LYS 45 2HZ LYS 45 1.439 -8.737 -4.865 343 H GLY 46 H GLY 46 -0.354 -3.240 -2.646 344 HA2 GLY 46 2HA GLY 46 -2.735 -1.954 -3.691 345 HA3 GLY 46 1HA GLY 46 -1.632 -0.992 -2.708 346 H GLU 47 H GLU 47 -1.890 -0.072 -5.119 347 HA GLU 47 HA GLU 47 0.578 -0.980 -6.410 348 HB2 GLU 47 2HB GLU 47 -1.402 -1.551 -7.806 349 HB3 GLU 47 1HB GLU 47 -1.849 0.149 -7.832 350 HG2 GLU 47 2HG GLU 47 0.286 0.670 -8.958 351 HG3 GLU 47 1HG GLU 47 0.668 -1.048 -8.972 352 H LEU 48 H LEU 48 2.060 0.493 -6.759 353 HA LEU 48 HA LEU 48 1.350 3.264 -6.965 354 HG LEU 48 HG LEU 48 3.980 4.434 -5.931 355 HB2 LEU 48 2HB LEU 48 1.693 3.025 -4.567 356 HB3 LEU 48 1HB LEU 48 3.266 2.299 -4.835 357 HD11 LEU 48 1HD1 LEU 48 2.722 6.450 -5.545 358 HD12 LEU 48 2HD1 LEU 48 1.430 5.525 -4.781 359 HD13 LEU 48 3HD1 LEU 48 1.783 5.300 -6.492 360 HD21 LEU 48 3HD2 LEU 48 3.115 4.578 -3.054 361 HD22 LEU 48 1HD2 LEU 48 4.280 5.650 -3.836 362 HD23 LEU 48 2HD2 LEU 48 4.634 3.932 -3.692 363 H ASN 49 H ASN 49 2.692 4.335 -8.226 364 HA ASN 49 HA ASN 49 4.344 4.880 -9.640 365 HB2 ASN 49 2HB ASN 49 6.015 2.812 -8.183 366 HB3 ASN 49 1HB ASN 49 6.638 3.996 -9.317 367 HD21 ASN 49 1HD2 ASN 49 4.854 6.160 -8.176 368 HD22 ASN 49 2HD2 ASN 49 5.581 6.553 -6.659 369 H GLY 50 H GLY 50 2.631 2.336 -9.835 370 HA2 GLY 50 2HA GLY 50 2.101 1.358 -11.945 371 HA3 GLY 50 1HA GLY 50 3.798 1.486 -12.386 372 H LYS 51 H LYS 51 3.829 0.425 -9.279 373 HA LYS 51 HA LYS 51 3.855 -2.367 -10.187 374 HB2 LYS 51 2HB LYS 51 5.587 -1.134 -8.032 375 HB3 LYS 51 1HB LYS 51 5.543 -2.829 -8.439 376 HG2 LYS 51 2HG LYS 51 7.470 -2.077 -9.470 377 HG3 LYS 51 1HG LYS 51 6.300 -2.100 -10.781 378 HD2 LYS 51 2HD LYS 51 7.531 -0.021 -10.955 379 HD3 LYS 51 1HD LYS 51 5.910 0.326 -10.397 380 HE2 LYS 51 2HE LYS 51 7.603 1.610 -9.167 381 HE3 LYS 51 1HE LYS 51 6.665 0.569 -8.109 382 HZ1 LYS 51 3HZ LYS 51 9.397 -0.028 -9.133 383 HZ2 LYS 51 1HZ LYS 51 8.540 -0.981 -8.033 384 HZ3 LYS 51 2HZ LYS 51 9.027 0.559 -7.605 385 H GLU 52 H GLU 52 2.815 -3.817 -8.993 386 HA GLU 52 HA GLU 52 1.286 -2.794 -6.738 387 HB2 GLU 52 2HB GLU 52 0.036 -4.894 -6.822 388 HB3 GLU 52 1HB GLU 52 0.010 -4.114 -8.393 389 HG2 GLU 52 2HG GLU 52 1.522 -5.676 -9.298 390 HG3 GLU 52 1HG GLU 52 1.974 -6.275 -7.703 391 H GLY 53 H GLY 53 1.529 -3.630 -4.714 392 HA2 GLY 53 2HA GLY 53 3.345 -5.810 -4.291 393 HA3 GLY 53 1HA GLY 53 3.969 -4.244 -3.784 394 H VAL 54 H VAL 54 3.812 -5.903 -1.883 395 HA VAL 54 HA VAL 54 1.349 -5.268 -0.456 396 HB VAL 54 HB VAL 54 1.826 -7.186 1.014 397 HG11 VAL 54 1HG1 VAL 54 1.739 -7.894 -1.903 398 HG12 VAL 54 2HG1 VAL 54 0.370 -7.583 -0.828 399 HG13 VAL 54 3HG1 VAL 54 1.391 -8.997 -0.574 400 HG21 VAL 54 3HG2 VAL 54 4.121 -7.773 -0.859 401 HG22 VAL 54 1HG2 VAL 54 3.551 -8.836 0.428 402 HG23 VAL 54 2HG2 VAL 54 4.260 -7.268 0.826 403 H PHE 55 H PHE 55 1.558 -4.686 1.685 404 HA PHE 55 HA PHE 55 4.115 -4.008 2.756 405 HD1 PHE 55 1HD PHE 55 1.702 -2.265 -0.203 406 HD2 PHE 55 2HD PHE 55 1.677 -0.629 3.731 407 HE1 PHE 55 1HE PHE 55 -0.458 -1.191 -0.667 408 HE2 PHE 55 2HE PHE 55 -0.488 0.442 3.272 409 HZ PHE 55 HZ PHE 55 -1.557 0.165 1.071 410 HB2 PHE 55 2HB PHE 55 3.727 -1.573 2.777 411 HB3 PHE 55 1HB PHE 55 3.713 -2.226 1.134 412 HA PRO 56 HA PRO 56 1.423 -4.348 6.359 413 HB2 PRO 56 2HB PRO 56 3.427 -2.695 7.784 414 HB3 PRO 56 1HB PRO 56 2.906 -4.345 8.131 415 HG2 PRO 56 2HG PRO 56 5.339 -3.877 7.124 416 HG3 PRO 56 1HG PRO 56 4.387 -5.282 6.620 417 HD2 PRO 56 2HD PRO 56 4.761 -2.662 5.210 418 HD3 PRO 56 1HD PRO 56 4.839 -4.323 4.569 419 H ASP 57 H ASP 57 -0.237 -3.110 6.829 420 HA ASP 57 HA ASP 57 -0.728 -0.665 5.592 421 HB2 ASP 57 2HB ASP 57 -2.826 -0.631 6.666 422 HB3 ASP 57 1HB ASP 57 -2.435 -2.326 6.447 423 H ASN 58 H ASN 58 0.858 -1.225 8.591 424 HA ASN 58 HA ASN 58 0.142 1.220 9.860 425 HB2 ASN 58 2HB ASN 58 1.798 0.738 11.537 426 HB3 ASN 58 1HB ASN 58 1.031 -0.777 11.094 427 HD21 ASN 58 1HD2 ASN 58 3.949 1.024 11.162 428 HD22 ASN 58 2HD2 ASN 58 4.997 -0.222 10.596 429 H PHE 59 H PHE 59 2.222 0.633 7.259 430 HA PHE 59 HA PHE 59 3.833 2.984 7.839 431 HD1 PHE 59 2HD PHE 59 6.617 2.567 7.567 432 HD2 PHE 59 1HD PHE 59 4.367 -0.951 6.800 433 HE1 PHE 59 2HE PHE 59 8.176 1.273 8.950 434 HE2 PHE 59 1HE PHE 59 5.929 -2.248 8.196 435 HZ PHE 59 HZ PHE 59 7.829 -1.137 9.266 436 HB2 PHE 59 2HB PHE 59 3.955 1.015 5.554 437 HB3 PHE 59 1HB PHE 59 5.004 2.421 5.688 438 H ALA 60 H ALA 60 0.844 2.594 6.769 439 HA ALA 60 HA ALA 60 0.940 5.006 5.156 440 HB1 ALA 60 1HB ALA 60 0.890 3.126 3.560 441 HB2 ALA 60 2HB ALA 60 -0.612 4.047 3.522 442 HB3 ALA 60 3HB ALA 60 -0.557 2.496 4.351 443 H VAL 61 H VAL 61 -1.321 5.841 4.917 444 HA VAL 61 HA VAL 61 -3.059 4.938 7.075 445 HB VAL 61 HB VAL 61 -2.003 7.065 7.795 446 HG11 VAL 61 1HG1 VAL 61 -3.279 8.314 5.371 447 HG12 VAL 61 2HG1 VAL 61 -1.552 8.108 5.654 448 HG13 VAL 61 3HG1 VAL 61 -2.491 9.191 6.682 449 HG21 VAL 61 3HG2 VAL 61 -4.241 6.577 8.579 450 HG22 VAL 61 1HG2 VAL 61 -4.933 7.349 7.153 451 HG23 VAL 61 2HG2 VAL 61 -4.049 8.312 8.340 452 H GLN 62 H GLN 62 -4.952 4.331 6.362 453 HA GLN 62 HA GLN 62 -5.663 4.713 3.621 454 HB2 GLN 62 2HB GLN 62 -6.209 2.676 5.016 455 HB3 GLN 62 1HB GLN 62 -7.354 3.662 5.903 456 HG2 GLN 62 2HG GLN 62 -8.616 4.036 3.825 457 HG3 GLN 62 1HG GLN 62 -7.472 3.015 2.958 458 HE21 GLN 62 1HE2 GLN 62 -8.647 2.411 6.198 459 HE22 GLN 62 2HE2 GLN 62 -9.521 0.970 5.796 460 H ILE 63 H ILE 63 -6.730 6.421 2.845 461 HA ILE 63 HA ILE 63 -7.441 8.425 4.794 462 HB ILE 63 HB ILE 63 -7.763 9.925 2.879 463 HG12 ILE 63 2HG1 ILE 63 -6.594 7.620 1.301 464 HG13 ILE 63 1HG1 ILE 63 -8.191 8.333 1.102 465 HG21 ILE 63 1HG2 ILE 63 -5.290 10.156 2.465 466 HG22 ILE 63 2HG2 ILE 63 -5.074 8.574 3.224 467 HG23 ILE 63 3HG2 ILE 63 -5.699 9.925 4.167 468 HD11 ILE 63 3HD1 ILE 63 -5.562 9.697 0.548 469 HD12 ILE 63 1HD1 ILE 63 -7.158 10.417 0.357 470 HD13 ILE 63 2HD1 ILE 63 -6.677 9.060 -0.662 471 H SER 64 H SER 64 -8.992 6.116 3.239 472 HA SER 64 HA SER 64 -11.526 7.063 2.664 473 HG SER 64 HG SER 64 -11.120 3.920 1.559 474 HB2 SER 64 2HB SER 64 -10.780 4.409 3.903 475 HB3 SER 64 1HB SER 64 -12.274 4.769 3.040 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -10.016 -2.818 -4.630 2 H2 GLY 1 2HT GLY 1 -9.399 -1.274 -4.339 3 H3 GLY 1 3HT GLY 1 -11.061 -1.577 -4.179 4 HA2 GLY 1 1HA GLY 1 -8.911 -2.682 -2.499 5 HA3 GLY 1 2HA GLY 1 -10.044 -1.416 -2.034 6 H ALA 2 H ALA 2 -11.196 -2.336 -0.498 7 HA ALA 2 HA ALA 2 -12.369 -4.989 -1.005 8 HB1 ALA 2 1HB ALA 2 -10.751 -4.998 0.846 9 HB2 ALA 2 2HB ALA 2 -12.393 -5.288 1.421 10 HB3 ALA 2 3HB ALA 2 -11.658 -3.701 1.624 11 H MET 3 H MET 3 -12.839 -1.702 0.088 12 HA MET 3 HA MET 3 -15.706 -2.198 0.509 13 HB2 MET 3 2HB MET 3 -13.997 0.190 1.216 14 HB3 MET 3 1HB MET 3 -15.714 0.057 1.548 15 HG2 MET 3 2HG MET 3 -13.583 -1.743 2.672 16 HG3 MET 3 1HG MET 3 -14.293 -0.373 3.515 17 HE1 MET 3 3HE MET 3 -16.858 -0.271 4.271 18 HE2 MET 3 1HE MET 3 -18.014 -1.572 3.986 19 HE3 MET 3 2HE MET 3 -17.396 -0.633 2.631 20 H GLY 4 H GLY 4 -13.859 -1.590 -1.945 21 HA2 GLY 4 2HA GLY 4 -15.516 -0.859 -3.850 22 HA3 GLY 4 1HA GLY 4 -15.238 0.701 -3.075 23 H ALA 5 H ALA 5 -14.394 1.135 -5.295 24 HA ALA 5 HA ALA 5 -11.622 0.204 -5.632 25 HB1 ALA 5 1HB ALA 5 -11.886 0.821 -7.992 26 HB2 ALA 5 2HB ALA 5 -13.528 1.373 -7.668 27 HB3 ALA 5 3HB ALA 5 -13.122 -0.338 -7.496 28 H LYS 6 H LYS 6 -12.834 2.457 -4.005 29 HA LYS 6 HA LYS 6 -11.196 4.628 -5.112 30 HB2 LYS 6 2HB LYS 6 -12.745 6.212 -3.994 31 HB3 LYS 6 1HB LYS 6 -13.470 5.334 -5.321 32 HG2 LYS 6 2HG LYS 6 -14.604 3.863 -3.724 33 HG3 LYS 6 1HG LYS 6 -13.831 4.721 -2.389 34 HD2 LYS 6 2HD LYS 6 -14.965 6.774 -3.018 35 HD3 LYS 6 1HD LYS 6 -15.689 5.981 -4.414 36 HE2 LYS 6 2HE LYS 6 -16.885 4.463 -2.945 37 HE3 LYS 6 1HE LYS 6 -16.141 5.223 -1.534 38 HZ1 LYS 6 3HZ LYS 6 -17.962 6.569 -3.467 39 HZ2 LYS 6 1HZ LYS 6 -17.261 7.278 -2.112 40 HZ3 LYS 6 2HZ LYS 6 -18.383 6.036 -1.939 41 H GLU 7 H GLU 7 -10.545 2.512 -3.268 42 HA GLU 7 HA GLU 7 -10.187 3.987 -0.779 43 HB2 GLU 7 2HB GLU 7 -9.619 1.090 -1.406 44 HB3 GLU 7 1HB GLU 7 -9.315 1.854 0.144 45 HG2 GLU 7 2HG GLU 7 -11.751 2.374 0.267 46 HG3 GLU 7 1HG GLU 7 -11.969 1.381 -1.176 47 H TYR 8 H TYR 8 -8.402 4.954 -0.349 48 HA TYR 8 HA TYR 8 -5.963 4.007 -1.520 49 HD1 TYR 8 2HD TYR 8 -5.896 8.256 -0.760 50 HD2 TYR 8 1HD TYR 8 -8.697 6.450 -3.398 51 HE1 TYR 8 2HE TYR 8 -7.336 10.236 -0.580 52 HE2 TYR 8 1HE TYR 8 -10.146 8.415 -3.239 53 HH TYR 8 HH TYR 8 -10.541 10.281 -1.676 54 HB2 TYR 8 2HB TYR 8 -5.285 6.362 -2.129 55 HB3 TYR 8 1HB TYR 8 -6.432 5.579 -3.208 56 H CYS 9 H CYS 9 -4.104 4.763 -0.580 57 HA CYS 9 HA CYS 9 -4.484 5.762 2.138 58 HG CYS 9 HG CYS 9 -3.074 3.131 -0.399 59 HB2 CYS 9 2HB CYS 9 -2.762 4.046 2.822 60 HB3 CYS 9 1HB CYS 9 -4.337 3.395 2.374 61 H ARG 10 H ARG 10 -2.631 6.782 3.012 62 HA ARG 10 HA ARG 10 -0.683 7.575 0.963 63 HE ARG 10 HE ARG 10 -0.753 11.249 4.544 64 HB2 ARG 10 2HB ARG 10 -2.175 9.400 1.971 65 HB3 ARG 10 1HB ARG 10 -1.310 9.126 3.478 66 HG2 ARG 10 2HG ARG 10 0.815 9.587 2.265 67 HG3 ARG 10 1HG ARG 10 -0.147 10.053 0.864 68 HD2 ARG 10 2HD ARG 10 0.419 12.034 2.004 69 HD3 ARG 10 1HD ARG 10 -1.283 11.725 2.357 70 HH11 ARG 10 1HH1 ARG 10 2.144 12.093 2.717 71 HH12 ARG 10 2HH1 ARG 10 3.209 12.039 4.039 72 HH21 ARG 10 1HH2 ARG 10 0.622 11.372 6.404 73 HH22 ARG 10 2HH2 ARG 10 2.284 11.712 6.231 74 H THR 11 H THR 11 1.402 7.205 1.422 75 HA THR 11 HA THR 11 1.956 5.455 3.580 76 HB THR 11 HB THR 11 4.241 5.529 2.512 77 HG1 THR 11 1HG THR 11 4.508 6.803 0.842 78 HG21 THR 11 3HG2 THR 11 1.839 4.904 0.795 79 HG22 THR 11 1HG2 THR 11 2.552 3.827 1.995 80 HG23 THR 11 2HG2 THR 11 3.467 4.273 0.554 81 H LEU 12 H LEU 12 2.959 5.882 5.429 82 HA LEU 12 HA LEU 12 3.498 8.668 6.121 83 HG LEU 12 HG LEU 12 1.134 6.703 6.929 84 HB2 LEU 12 2HB LEU 12 3.387 6.194 7.842 85 HB3 LEU 12 1HB LEU 12 3.505 7.841 8.417 86 HD11 LEU 12 1HD1 LEU 12 1.379 5.680 9.120 87 HD12 LEU 12 2HD1 LEU 12 0.003 6.784 9.094 88 HD13 LEU 12 3HD1 LEU 12 1.513 7.274 9.862 89 HD21 LEU 12 3HD2 LEU 12 1.542 9.334 8.346 90 HD22 LEU 12 1HD2 LEU 12 0.020 8.762 7.665 91 HD23 LEU 12 2HD2 LEU 12 1.385 9.102 6.605 92 H PHE 13 H PHE 13 5.170 5.924 5.126 93 HA PHE 13 HA PHE 13 7.682 6.883 6.310 94 HD1 PHE 13 1HD PHE 13 4.903 4.364 7.670 95 HD2 PHE 13 2HD PHE 13 8.917 5.273 8.733 96 HE1 PHE 13 1HE PHE 13 4.263 4.387 10.039 97 HE2 PHE 13 2HE PHE 13 8.285 5.304 11.108 98 HZ PHE 13 HZ PHE 13 5.955 4.861 11.764 99 HB2 PHE 13 2HB PHE 13 6.765 4.005 6.128 100 HB3 PHE 13 1HB PHE 13 8.394 4.506 6.541 101 HA PRO 14 HA PRO 14 9.100 5.850 2.162 102 HB2 PRO 14 2HB PRO 14 11.749 6.299 2.552 103 HB3 PRO 14 1HB PRO 14 10.590 7.619 2.367 104 HG2 PRO 14 2HG PRO 14 11.962 6.641 4.802 105 HG3 PRO 14 1HG PRO 14 11.359 8.259 4.429 106 HD2 PRO 14 2HD PRO 14 10.101 6.319 6.057 107 HD3 PRO 14 1HD PRO 14 9.404 7.842 5.467 108 H TYR 15 H TYR 15 9.339 3.704 1.527 109 HA TYR 15 HA TYR 15 11.113 2.025 3.064 110 HD1 TYR 15 1HD TYR 15 10.867 0.084 4.956 111 HD2 TYR 15 2HD TYR 15 7.789 -0.672 2.118 112 HE1 TYR 15 1HE TYR 15 11.164 -2.330 5.274 113 HE2 TYR 15 2HE TYR 15 8.081 -3.083 2.428 114 HH TYR 15 HH TYR 15 9.734 -4.605 3.158 115 HB2 TYR 15 2HB TYR 15 9.050 1.821 4.300 116 HB3 TYR 15 1HB TYR 15 8.158 1.513 2.827 117 H THR 16 H THR 16 12.217 0.892 1.716 118 HA THR 16 HA THR 16 11.250 0.462 -0.958 119 HB THR 16 HB THR 16 13.947 -0.094 0.312 120 HG1 THR 16 1HG THR 16 12.827 2.165 -0.471 121 HG21 THR 16 3HG2 THR 16 13.120 -0.122 -2.605 122 HG22 THR 16 1HG2 THR 16 13.526 -1.540 -1.640 123 HG23 THR 16 2HG2 THR 16 14.763 -0.340 -2.002 124 H GLY 17 H GLY 17 10.650 -1.443 -1.681 125 HA2 GLY 17 2HA GLY 17 9.993 -3.522 0.088 126 HA3 GLY 17 1HA GLY 17 10.006 -3.635 -1.675 127 H THR 18 H THR 18 11.238 -5.084 0.922 128 HA THR 18 HA THR 18 13.979 -5.270 0.365 129 HB THR 18 HB THR 18 12.495 -7.437 1.762 130 HG1 THR 18 1HG THR 18 11.214 -5.672 2.452 131 HG21 THR 18 3HG2 THR 18 14.635 -5.529 2.467 132 HG22 THR 18 1HG2 THR 18 14.932 -7.124 1.759 133 HG23 THR 18 2HG2 THR 18 14.217 -6.992 3.391 134 H ASN 19 H ASN 19 11.049 -6.837 -0.316 135 HA ASN 19 HA ASN 19 12.218 -8.815 -2.109 136 HB2 ASN 19 2HB ASN 19 9.541 -8.429 -0.792 137 HB3 ASN 19 1HB ASN 19 9.778 -9.632 -2.033 138 HD21 ASN 19 1HD2 ASN 19 8.974 -9.967 0.727 139 HD22 ASN 19 2HD2 ASN 19 10.146 -10.966 1.486 140 H GLU 20 H GLU 20 11.453 -8.728 -4.334 141 HA GLU 20 HA GLU 20 10.643 -6.063 -5.014 142 HB2 GLU 20 2HB GLU 20 11.035 -6.656 -7.367 143 HB3 GLU 20 1HB GLU 20 12.405 -7.088 -6.375 144 HG2 GLU 20 2HG GLU 20 12.259 -8.890 -7.778 145 HG3 GLU 20 1HG GLU 20 11.309 -9.461 -6.413 146 H ASP 21 H ASP 21 9.164 -8.970 -4.405 147 HA ASP 21 HA ASP 21 6.641 -8.517 -5.711 148 HB2 ASP 21 2HB ASP 21 7.286 -10.152 -3.226 149 HB3 ASP 21 1HB ASP 21 5.723 -10.129 -4.012 150 H GLU 22 H GLU 22 8.244 -7.235 -3.066 151 HA GLU 22 HA GLU 22 5.910 -6.322 -1.614 152 HB2 GLU 22 2HB GLU 22 7.842 -7.308 -0.454 153 HB3 GLU 22 1HB GLU 22 8.890 -6.087 -1.135 154 HG2 GLU 22 2HG GLU 22 7.850 -4.404 0.217 155 HG3 GLU 22 1HG GLU 22 6.641 -5.562 0.785 156 H LEU 23 H LEU 23 5.500 -4.092 -1.394 157 HA LEU 23 HA LEU 23 6.092 -2.716 -3.874 158 HG LEU 23 HG LEU 23 4.035 -1.301 -4.635 159 HB2 LEU 23 2HB LEU 23 3.784 -3.057 -2.839 160 HB3 LEU 23 1HB LEU 23 4.229 -1.863 -1.656 161 HD11 LEU 23 1HD1 LEU 23 2.071 -0.765 -2.423 162 HD12 LEU 23 2HD1 LEU 23 1.880 -1.945 -3.724 163 HD13 LEU 23 3HD1 LEU 23 1.921 -0.221 -4.094 164 HD21 LEU 23 3HD2 LEU 23 4.147 0.557 -2.257 165 HD22 LEU 23 1HD2 LEU 23 3.979 1.044 -3.941 166 HD23 LEU 23 2HD2 LEU 23 5.468 0.276 -3.390 167 H THR 24 H THR 24 7.577 -1.196 -4.061 168 HA THR 24 HA THR 24 8.879 -0.014 -1.762 169 HB THR 24 HB THR 24 9.292 0.229 -4.738 170 HG1 THR 24 1HG THR 24 9.831 -1.728 -4.019 171 HG21 THR 24 3HG2 THR 24 11.475 1.303 -4.176 172 HG22 THR 24 1HG2 THR 24 10.990 1.403 -2.485 173 HG23 THR 24 2HG2 THR 24 10.092 2.280 -3.698 174 H PHE 25 H PHE 25 8.214 1.853 -0.896 175 HA PHE 25 HA PHE 25 6.910 3.796 -2.613 176 HD1 PHE 25 1HD PHE 25 5.994 4.336 1.559 177 HD2 PHE 25 2HD PHE 25 5.413 0.645 -0.459 178 HE1 PHE 25 1HE PHE 25 5.959 3.162 3.718 179 HE2 PHE 25 2HE PHE 25 5.386 -0.531 1.687 180 HZ PHE 25 HZ PHE 25 5.650 0.723 3.784 181 HB2 PHE 25 2HB PHE 25 5.276 4.276 -0.763 182 HB3 PHE 25 1HB PHE 25 5.047 2.748 -1.602 183 H ARG 26 H ARG 26 6.806 5.923 -1.669 184 HA ARG 26 HA ARG 26 9.085 6.483 0.106 185 HE ARG 26 HE ARG 26 11.571 7.313 -4.216 186 HB2 ARG 26 2HB ARG 26 7.783 8.203 -2.013 187 HB3 ARG 26 1HB ARG 26 9.078 8.734 -0.961 188 HG2 ARG 26 2HG ARG 26 10.569 7.084 -1.948 189 HG3 ARG 26 1HG ARG 26 9.258 6.519 -2.989 190 HD2 ARG 26 2HD ARG 26 9.083 8.763 -3.946 191 HD3 ARG 26 1HD ARG 26 10.440 9.282 -2.946 192 HH11 ARG 26 1HH1 ARG 26 9.359 9.772 -5.490 193 HH12 ARG 26 2HH1 ARG 26 10.035 9.791 -7.055 194 HH21 ARG 26 1HH2 ARG 26 12.523 7.341 -6.414 195 HH22 ARG 26 2HH2 ARG 26 11.860 8.405 -7.576 196 H GLU 27 H GLU 27 8.601 8.704 1.280 197 HA GLU 27 HA GLU 27 6.108 8.352 2.668 198 HB2 GLU 27 2HB GLU 27 8.266 9.001 3.773 199 HB3 GLU 27 1HB GLU 27 8.216 10.521 2.913 200 HG2 GLU 27 2HG GLU 27 6.095 9.675 4.889 201 HG3 GLU 27 1HG GLU 27 7.543 10.551 5.350 202 H GLY 28 H GLY 28 4.235 9.286 2.097 203 HA2 GLY 28 2HA GLY 28 2.958 11.204 1.583 204 HA3 GLY 28 1HA GLY 28 4.330 11.863 0.705 205 H GLU 29 H GLU 29 3.627 8.591 0.037 206 HA GLU 29 HA GLU 29 2.708 9.404 -2.601 207 HB2 GLU 29 2HB GLU 29 3.652 6.736 -1.545 208 HB3 GLU 29 1HB GLU 29 3.154 7.034 -3.202 209 HG2 GLU 29 2HG GLU 29 5.482 8.349 -1.811 210 HG3 GLU 29 1HG GLU 29 5.596 6.999 -2.933 211 H ILE 30 H ILE 30 0.784 8.721 -3.460 212 HA ILE 30 HA ILE 30 -1.174 7.656 -1.567 213 HB ILE 30 HB ILE 30 -1.554 9.038 -4.248 214 HG12 ILE 30 2HG1 ILE 30 -0.925 10.533 -2.391 215 HG13 ILE 30 1HG1 ILE 30 -2.558 10.850 -2.979 216 HG21 ILE 30 1HG2 ILE 30 -3.973 8.965 -3.813 217 HG22 ILE 30 2HG2 ILE 30 -3.679 7.991 -2.376 218 HG23 ILE 30 3HG2 ILE 30 -3.281 7.346 -3.969 219 HD11 ILE 30 3HD1 ILE 30 -1.821 9.338 -0.476 220 HD12 ILE 30 1HD1 ILE 30 -3.460 9.643 -1.049 221 HD13 ILE 30 2HD1 ILE 30 -2.433 10.987 -0.558 222 H ILE 31 H ILE 31 -1.420 5.617 -1.634 223 HA ILE 31 HA ILE 31 -0.957 4.143 -4.138 224 HB ILE 31 HB ILE 31 -0.975 3.105 -1.283 225 HG12 ILE 31 2HG1 ILE 31 1.343 3.612 -3.160 226 HG13 ILE 31 1HG1 ILE 31 0.989 4.488 -1.680 227 HG21 ILE 31 1HG2 ILE 31 -1.704 1.411 -2.868 228 HG22 ILE 31 2HG2 ILE 31 -0.104 1.014 -2.244 229 HG23 ILE 31 3HG2 ILE 31 -0.275 1.697 -3.859 230 HD11 ILE 31 3HD1 ILE 31 2.805 2.908 -1.356 231 HD12 ILE 31 1HD1 ILE 31 1.762 1.584 -1.873 232 HD13 ILE 31 2HD1 ILE 31 1.406 2.457 -0.382 233 H HIS 32 H HIS 32 -2.657 3.075 -5.017 234 HA HIS 32 HA HIS 32 -5.197 3.294 -3.644 235 HD1 HIS 32 1HD HIS 32 -7.522 3.528 -7.198 236 HD2 HIS 32 2HD HIS 32 -4.692 5.669 -5.034 237 HE1 HIS 32 1HE HIS 32 -8.256 5.926 -7.273 238 HB2 HIS 32 2HB HIS 32 -4.401 2.713 -6.459 239 HB3 HIS 32 1HB HIS 32 -5.919 2.032 -5.890 240 H LEU 33 H LEU 33 -6.185 1.765 -2.713 241 HA LEU 33 HA LEU 33 -4.706 -0.544 -1.930 242 HG LEU 33 HG LEU 33 -5.532 -1.034 0.541 243 HB2 LEU 33 2HB LEU 33 -6.291 1.004 -0.593 244 HB3 LEU 33 1HB LEU 33 -7.586 0.124 -1.354 245 HD11 LEU 33 1HD1 LEU 33 -7.408 -1.175 2.096 246 HD12 LEU 33 2HD1 LEU 33 -8.443 -0.364 0.923 247 HD13 LEU 33 3HD1 LEU 33 -7.071 0.490 1.630 248 HD21 LEU 33 3HD2 LEU 33 -6.781 -3.042 0.522 249 HD22 LEU 33 1HD2 LEU 33 -6.454 -2.638 -1.150 250 HD23 LEU 33 2HD2 LEU 33 -8.062 -2.337 -0.469 251 H ILE 34 H ILE 34 -4.804 -2.480 -2.909 252 HA ILE 34 HA ILE 34 -6.955 -3.013 -4.809 253 HB ILE 34 HB ILE 34 -4.257 -4.348 -4.435 254 HG12 ILE 34 2HG1 ILE 34 -5.332 -2.664 -6.718 255 HG13 ILE 34 1HG1 ILE 34 -4.090 -2.185 -5.563 256 HG21 ILE 34 1HG2 ILE 34 -5.844 -6.049 -5.102 257 HG22 ILE 34 2HG2 ILE 34 -4.765 -5.660 -6.451 258 HG23 ILE 34 3HG2 ILE 34 -6.415 -5.032 -6.431 259 HD11 ILE 34 3HD1 ILE 34 -2.567 -3.759 -6.448 260 HD12 ILE 34 1HD1 ILE 34 -3.254 -2.843 -7.785 261 HD13 ILE 34 2HD1 ILE 34 -3.809 -4.491 -7.460 262 H SER 35 H SER 35 -5.117 -4.589 -2.176 263 HA SER 35 HA SER 35 -7.550 -6.013 -1.410 264 HG SER 35 HG SER 35 -7.209 -7.567 -3.393 265 HB2 SER 35 2HB SER 35 -4.896 -7.422 -1.743 266 HB3 SER 35 1HB SER 35 -6.442 -8.139 -1.312 267 H LYS 36 H LYS 36 -7.799 -5.855 0.744 268 HA LYS 36 HA LYS 36 -5.646 -5.046 2.503 269 HB2 LYS 36 2HB LYS 36 -8.556 -5.736 2.938 270 HB3 LYS 36 1HB LYS 36 -7.457 -5.258 4.223 271 HG2 LYS 36 2HG LYS 36 -7.204 -3.089 3.284 272 HG3 LYS 36 1HG LYS 36 -8.094 -3.549 1.836 273 HD2 LYS 36 2HD LYS 36 -9.441 -2.233 3.380 274 HD3 LYS 36 1HD LYS 36 -10.111 -3.840 3.115 275 HE2 LYS 36 2HE LYS 36 -9.171 -4.586 5.230 276 HE3 LYS 36 1HE LYS 36 -8.435 -2.999 5.466 277 HZ1 LYS 36 3HZ LYS 36 -11.339 -3.566 5.272 278 HZ2 LYS 36 1HZ LYS 36 -10.655 -2.048 5.523 279 HZ3 LYS 36 2HZ LYS 36 -10.517 -3.250 6.706 280 H GLU 37 H GLU 37 -7.529 -7.812 1.619 281 HA GLU 37 HA GLU 37 -6.214 -9.460 3.613 282 HB2 GLU 37 2HB GLU 37 -8.504 -10.067 1.737 283 HB3 GLU 37 1HB GLU 37 -7.811 -11.228 2.845 284 HG2 GLU 37 2HG GLU 37 -9.753 -10.501 3.889 285 HG3 GLU 37 1HG GLU 37 -8.479 -9.610 4.695 286 H THR 38 H THR 38 -4.323 -10.109 2.940 287 HA THR 38 HA THR 38 -3.997 -11.009 0.146 288 HB THR 38 HB THR 38 -1.560 -10.485 0.588 289 HG1 THR 38 1HG THR 38 -2.186 -8.719 2.600 290 HG21 THR 38 3HG2 THR 38 -3.018 -8.939 -0.686 291 HG22 THR 38 1HG2 THR 38 -1.851 -8.049 0.295 292 HG23 THR 38 2HG2 THR 38 -3.528 -8.190 0.824 293 H GLY 39 H GLY 39 -4.585 -12.240 3.028 294 HA2 GLY 39 2HA GLY 39 -4.203 -14.666 3.297 295 HA3 GLY 39 1HA GLY 39 -2.511 -14.336 2.908 296 H GLU 40 H GLU 40 -2.755 -11.763 4.319 297 HA GLU 40 HA GLU 40 -3.100 -12.523 7.107 298 HB2 GLU 40 2HB GLU 40 -0.661 -11.174 5.944 299 HB3 GLU 40 1HB GLU 40 -1.052 -11.160 7.651 300 HG2 GLU 40 2HG GLU 40 -0.883 -13.637 7.632 301 HG3 GLU 40 1HG GLU 40 -0.338 -13.532 5.956 302 H ALA 41 H ALA 41 -3.992 -10.868 8.251 303 HA ALA 41 HA ALA 41 -4.707 -8.479 6.787 304 HB1 ALA 41 1HB ALA 41 -5.321 -9.273 9.645 305 HB2 ALA 41 2HB ALA 41 -6.394 -9.497 8.263 306 HB3 ALA 41 3HB ALA 41 -5.985 -7.870 8.810 307 H GLY 42 H GLY 42 -2.840 -7.481 6.469 308 HA2 GLY 42 2HA GLY 42 -1.774 -5.699 8.271 309 HA3 GLY 42 1HA GLY 42 -0.809 -7.168 8.455 310 H TRP 43 H TRP 43 -1.161 -7.965 5.709 311 HA TRP 43 HA TRP 43 0.606 -6.017 4.484 312 HD1 TRP 43 HD TRP 43 1.179 -10.050 5.784 313 HE1 TRP 43 1HE TRP 43 3.589 -10.103 6.631 314 HE3 TRP 43 3HE TRP 43 3.102 -6.249 2.957 315 HZ2 TRP 43 2HZ TRP 43 6.021 -8.705 6.166 316 HZ3 TRP 43 3HZ TRP 43 5.478 -5.671 3.220 317 HH2 TRP 43 HH TRP 43 6.904 -6.874 4.792 318 HB2 TRP 43 2HB TRP 43 -0.007 -8.894 3.770 319 HB3 TRP 43 1HB TRP 43 0.950 -7.826 2.757 320 H TRP 44 H TRP 44 -0.228 -4.700 3.115 321 HA TRP 44 HA TRP 44 -2.830 -5.331 1.959 322 HD1 TRP 44 HD TRP 44 -3.489 -5.173 4.197 323 HE1 TRP 44 1HE TRP 44 -5.333 -4.198 5.673 324 HE3 TRP 44 3HE TRP 44 -3.457 -0.385 2.432 325 HZ2 TRP 44 2HZ TRP 44 -6.606 -1.707 6.048 326 HZ3 TRP 44 3HZ TRP 44 -5.022 1.238 3.408 327 HH2 TRP 44 HH TRP 44 -6.570 0.578 5.183 328 HB2 TRP 44 2HB TRP 44 -1.478 -2.759 2.677 329 HB3 TRP 44 1HB TRP 44 -2.715 -2.795 1.432 330 H LYS 45 H LYS 45 -3.061 -5.248 -0.127 331 HA LYS 45 HA LYS 45 -0.635 -4.936 -1.724 332 HB2 LYS 45 2HB LYS 45 -1.778 -7.070 -2.046 333 HB3 LYS 45 1HB LYS 45 -3.298 -6.238 -2.329 334 HG2 LYS 45 2HG LYS 45 -2.275 -5.205 -4.365 335 HG3 LYS 45 1HG LYS 45 -0.874 -6.236 -4.109 336 HD2 LYS 45 2HD LYS 45 -3.679 -7.299 -4.402 337 HD3 LYS 45 1HD LYS 45 -2.583 -7.085 -5.759 338 HE2 LYS 45 2HE LYS 45 -2.000 -8.779 -3.338 339 HE3 LYS 45 1HE LYS 45 -2.643 -9.409 -4.849 340 HZ1 LYS 45 3HZ LYS 45 -0.603 -8.379 -5.921 341 HZ2 LYS 45 1HZ LYS 45 -0.310 -9.724 -4.949 342 HZ3 LYS 45 2HZ LYS 45 0.027 -8.213 -4.367 343 H GLY 46 H GLY 46 -0.497 -3.241 -2.966 344 HA2 GLY 46 2HA GLY 46 -2.887 -1.830 -3.801 345 HA3 GLY 46 1HA GLY 46 -1.688 -0.923 -2.883 346 H GLU 47 H GLU 47 -2.074 0.039 -5.265 347 HA GLU 47 HA GLU 47 0.251 -0.949 -6.730 348 HB2 GLU 47 2HB GLU 47 -1.831 -1.563 -7.884 349 HB3 GLU 47 1HB GLU 47 -2.313 0.117 -7.951 350 HG2 GLU 47 2HG GLU 47 0.269 -0.690 -9.209 351 HG3 GLU 47 1HG GLU 47 -1.227 -1.133 -10.015 352 H LEU 48 H LEU 48 1.736 0.439 -7.146 353 HA LEU 48 HA LEU 48 1.139 3.287 -7.090 354 HG LEU 48 HG LEU 48 4.004 4.275 -6.348 355 HB2 LEU 48 2HB LEU 48 1.978 2.617 -4.840 356 HB3 LEU 48 1HB LEU 48 3.426 2.009 -5.613 357 HD11 LEU 48 1HD1 LEU 48 2.814 6.205 -5.443 358 HD12 LEU 48 2HD1 LEU 48 1.585 5.134 -4.771 359 HD13 LEU 48 3HD1 LEU 48 1.797 5.250 -6.516 360 HD21 LEU 48 3HD2 LEU 48 4.881 3.416 -4.240 361 HD22 LEU 48 1HD2 LEU 48 3.479 4.054 -3.390 362 HD23 LEU 48 2HD2 LEU 48 4.621 5.158 -4.158 363 H ASN 49 H ASN 49 1.816 4.071 -8.907 364 HA ASN 49 HA ASN 49 2.958 4.574 -10.771 365 HB2 ASN 49 2HB ASN 49 5.326 3.283 -9.385 366 HB3 ASN 49 1HB ASN 49 5.431 4.145 -10.911 367 HD21 ASN 49 1HD2 ASN 49 5.350 4.390 -7.518 368 HD22 ASN 49 2HD2 ASN 49 5.443 6.106 -7.425 369 H GLY 50 H GLY 50 1.636 1.901 -10.448 370 HA2 GLY 50 2HA GLY 50 1.116 0.641 -12.385 371 HA3 GLY 50 1HA GLY 50 2.780 0.812 -12.916 372 H LYS 51 H LYS 51 3.266 0.215 -9.838 373 HA LYS 51 HA LYS 51 3.437 -2.678 -10.315 374 HB2 LYS 51 2HB LYS 51 4.994 -0.893 -8.448 375 HB3 LYS 51 1HB LYS 51 5.018 -2.636 -8.332 376 HG2 LYS 51 2HG LYS 51 6.966 -1.955 -9.445 377 HG3 LYS 51 1HG LYS 51 5.932 -2.714 -10.635 378 HD2 LYS 51 2HD LYS 51 5.261 -0.554 -11.517 379 HD3 LYS 51 1HD LYS 51 6.176 0.276 -10.252 380 HE2 LYS 51 2HE LYS 51 7.371 0.256 -12.391 381 HE3 LYS 51 1HE LYS 51 8.250 -0.612 -11.138 382 HZ1 LYS 51 3HZ LYS 51 8.302 -1.810 -13.207 383 HZ2 LYS 51 1HZ LYS 51 6.615 -1.859 -13.297 384 HZ3 LYS 51 2HZ LYS 51 7.419 -2.691 -12.079 385 H GLU 52 H GLU 52 2.421 -4.055 -9.049 386 HA GLU 52 HA GLU 52 1.231 -2.937 -6.666 387 HB2 GLU 52 2HB GLU 52 -0.519 -4.727 -6.736 388 HB3 GLU 52 1HB GLU 52 -0.753 -3.553 -7.980 389 HG2 GLU 52 2HG GLU 52 -1.205 -5.543 -9.049 390 HG3 GLU 52 1HG GLU 52 0.496 -5.343 -9.448 391 H GLY 53 H GLY 53 1.353 -4.009 -4.814 392 HA2 GLY 53 2HA GLY 53 2.628 -6.520 -4.617 393 HA3 GLY 53 1HA GLY 53 3.736 -5.194 -4.254 394 H VAL 54 H VAL 54 3.736 -6.201 -2.147 395 HA VAL 54 HA VAL 54 1.347 -5.426 -0.648 396 HB VAL 54 HB VAL 54 1.999 -7.102 1.071 397 HG11 VAL 54 1HG1 VAL 54 1.259 -9.086 -0.180 398 HG12 VAL 54 2HG1 VAL 54 1.533 -8.213 -1.690 399 HG13 VAL 54 3HG1 VAL 54 0.299 -7.659 -0.565 400 HG21 VAL 54 3HG2 VAL 54 4.374 -7.273 0.562 401 HG22 VAL 54 1HG2 VAL 54 4.006 -8.013 -0.998 402 HG23 VAL 54 2HG2 VAL 54 3.617 -8.867 0.499 403 H PHE 55 H PHE 55 1.563 -4.451 1.251 404 HA PHE 55 HA PHE 55 4.158 -3.634 2.207 405 HD1 PHE 55 2HD PHE 55 1.480 -2.111 -0.700 406 HD2 PHE 55 1HD PHE 55 1.516 -0.473 3.225 407 HE1 PHE 55 2HE PHE 55 -0.761 -1.187 -1.068 408 HE2 PHE 55 1HE PHE 55 -0.728 0.461 2.856 409 HZ PHE 55 HZ PHE 55 -1.870 0.101 0.709 410 HB2 PHE 55 2HB PHE 55 3.570 -1.226 2.138 411 HB3 PHE 55 1HB PHE 55 3.513 -1.962 0.528 412 HA PRO 56 HA PRO 56 1.866 -4.212 5.974 413 HB2 PRO 56 2HB PRO 56 3.478 -2.249 7.403 414 HB3 PRO 56 1HB PRO 56 3.452 -3.998 7.574 415 HG2 PRO 56 2HG PRO 56 5.572 -2.684 6.489 416 HG3 PRO 56 1HG PRO 56 5.115 -4.332 6.020 417 HD2 PRO 56 2HD PRO 56 4.576 -1.737 4.624 418 HD3 PRO 56 1HD PRO 56 5.061 -3.307 3.944 419 H ASP 57 H ASP 57 0.089 -3.406 6.881 420 HA ASP 57 HA ASP 57 -1.035 -0.999 5.883 421 HB2 ASP 57 2HB ASP 57 -3.053 -1.600 6.946 422 HB3 ASP 57 1HB ASP 57 -2.300 -3.125 6.528 423 H ASN 58 H ASN 58 1.053 -1.430 8.424 424 HA ASN 58 HA ASN 58 0.024 0.867 9.875 425 HB2 ASN 58 2HB ASN 58 1.716 0.358 11.598 426 HB3 ASN 58 1HB ASN 58 0.660 -1.008 11.274 427 HD21 ASN 58 1HD2 ASN 58 3.255 -0.896 12.505 428 HD22 ASN 58 2HD2 ASN 58 4.289 -1.917 11.587 429 H PHE 59 H PHE 59 1.899 0.430 7.281 430 HA PHE 59 HA PHE 59 3.711 2.642 7.914 431 HD1 PHE 59 1HD PHE 59 4.106 -0.440 8.243 432 HD2 PHE 59 2HD PHE 59 6.833 1.792 5.872 433 HE1 PHE 59 1HE PHE 59 5.979 -1.507 9.403 434 HE2 PHE 59 2HE PHE 59 8.718 0.737 7.035 435 HZ PHE 59 HZ PHE 59 8.290 -0.924 8.810 436 HB2 PHE 59 2HB PHE 59 3.678 0.613 5.695 437 HB3 PHE 59 1HB PHE 59 4.600 2.099 5.538 438 H ALA 60 H ALA 60 0.724 2.114 6.555 439 HA ALA 60 HA ALA 60 0.790 4.716 5.249 440 HB1 ALA 60 1HB ALA 60 -0.396 2.228 4.012 441 HB2 ALA 60 2HB ALA 60 1.080 3.030 3.480 442 HB3 ALA 60 3HB ALA 60 -0.467 3.860 3.342 443 H VAL 61 H VAL 61 -1.140 5.788 5.360 444 HA VAL 61 HA VAL 61 -3.119 4.532 7.109 445 HB VAL 61 HB VAL 61 -2.075 6.496 8.159 446 HG11 VAL 61 1HG1 VAL 61 -3.081 8.082 5.809 447 HG12 VAL 61 2HG1 VAL 61 -1.400 7.743 6.206 448 HG13 VAL 61 3HG1 VAL 61 -2.373 8.757 7.276 449 HG21 VAL 61 3HG2 VAL 61 -4.403 6.064 8.714 450 HG22 VAL 61 1HG2 VAL 61 -4.928 7.035 7.338 451 HG23 VAL 61 2HG2 VAL 61 -4.097 7.800 8.690 452 H GLN 62 H GLN 62 -5.026 4.114 6.293 453 HA GLN 62 HA GLN 62 -5.607 4.740 3.604 454 HB2 GLN 62 2HB GLN 62 -6.455 2.682 4.491 455 HB3 GLN 62 1HB GLN 62 -7.309 3.525 5.779 456 HG2 GLN 62 2HG GLN 62 -8.857 4.464 4.241 457 HG3 GLN 62 1HG GLN 62 -7.915 3.910 2.867 458 HE21 GLN 62 1HE2 GLN 62 -9.719 2.981 2.096 459 HE22 GLN 62 2HE2 GLN 62 -10.323 1.458 2.601 460 H ILE 63 H ILE 63 -6.466 6.441 2.775 461 HA ILE 63 HA ILE 63 -7.300 8.630 4.490 462 HB ILE 63 HB ILE 63 -7.172 8.536 1.461 463 HG12 ILE 63 2HG1 ILE 63 -4.967 7.989 2.345 464 HG13 ILE 63 1HG1 ILE 63 -4.954 9.582 1.616 465 HG21 ILE 63 1HG2 ILE 63 -7.001 10.981 1.620 466 HG22 ILE 63 2HG2 ILE 63 -7.158 10.870 3.370 467 HG23 ILE 63 3HG2 ILE 63 -8.497 10.375 2.336 468 HD11 ILE 63 3HD1 ILE 63 -3.666 9.584 3.673 469 HD12 ILE 63 1HD1 ILE 63 -5.058 8.978 4.572 470 HD13 ILE 63 2HD1 ILE 63 -5.104 10.589 3.861 471 H SER 64 H SER 64 -8.565 6.582 1.876 472 HA SER 64 HA SER 64 -11.239 7.180 2.743 473 HG SER 64 HG SER 64 -10.540 9.061 1.720 474 HB2 SER 64 2HB SER 64 -10.210 7.087 -0.104 475 HB3 SER 64 1HB SER 64 -11.893 7.306 0.390 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -11.141 -11.443 0.040 2 H2 GLY 1 2HT GLY 1 -11.502 -11.498 -1.624 3 H3 GLY 1 3HT GLY 1 -12.660 -10.925 -0.509 4 HA2 GLY 1 1HA GLY 1 -10.065 -9.663 -1.009 5 HA3 GLY 1 2HA GLY 1 -11.582 -9.147 -1.732 6 H ALA 2 H ALA 2 -10.425 -7.287 -0.403 7 HA ALA 2 HA ALA 2 -12.179 -6.774 1.762 8 HB1 ALA 2 1HB ALA 2 -9.213 -6.935 2.352 9 HB2 ALA 2 2HB ALA 2 -10.458 -7.997 3.008 10 HB3 ALA 2 3HB ALA 2 -10.438 -6.292 3.451 11 H MET 3 H MET 3 -12.858 -5.117 0.576 12 HA MET 3 HA MET 3 -11.403 -2.693 0.629 13 HB2 MET 3 2HB MET 3 -11.261 -2.283 -1.773 14 HB3 MET 3 1HB MET 3 -10.388 -3.760 -1.412 15 HG2 MET 3 2HG MET 3 -13.159 -3.602 -2.609 16 HG3 MET 3 1HG MET 3 -11.675 -3.867 -3.513 17 HE1 MET 3 3HE MET 3 -12.709 -6.026 -4.656 18 HE2 MET 3 1HE MET 3 -14.223 -5.765 -3.788 19 HE3 MET 3 2HE MET 3 -13.455 -7.354 -3.764 20 H GLY 4 H GLY 4 -12.861 -0.993 0.496 21 HA2 GLY 4 2HA GLY 4 -15.643 -1.622 0.593 22 HA3 GLY 4 1HA GLY 4 -14.918 -0.013 0.611 23 H ALA 5 H ALA 5 -13.989 0.719 -1.489 24 HA ALA 5 HA ALA 5 -15.144 -0.439 -3.869 25 HB1 ALA 5 1HB ALA 5 -16.998 0.959 -3.037 26 HB2 ALA 5 2HB ALA 5 -16.351 1.549 -4.566 27 HB3 ALA 5 3HB ALA 5 -15.931 2.364 -3.059 28 H LYS 6 H LYS 6 -14.028 2.755 -3.014 29 HA LYS 6 HA LYS 6 -11.763 2.374 -4.835 30 HB2 LYS 6 2HB LYS 6 -13.463 4.817 -4.411 31 HB3 LYS 6 1HB LYS 6 -11.794 4.970 -4.937 32 HG2 LYS 6 2HG LYS 6 -13.213 5.074 -6.849 33 HG3 LYS 6 1HG LYS 6 -12.320 3.561 -6.885 34 HD2 LYS 6 2HD LYS 6 -14.320 2.404 -6.001 35 HD3 LYS 6 1HD LYS 6 -15.200 3.933 -6.074 36 HE2 LYS 6 2HE LYS 6 -15.682 2.563 -8.038 37 HE3 LYS 6 1HE LYS 6 -14.829 4.034 -8.488 38 HZ1 LYS 6 3HZ LYS 6 -13.561 1.376 -8.149 39 HZ2 LYS 6 1HZ LYS 6 -12.781 2.766 -8.686 40 HZ3 LYS 6 2HZ LYS 6 -13.989 2.026 -9.618 41 H GLU 7 H GLU 7 -10.292 1.763 -3.539 42 HA GLU 7 HA GLU 7 -10.049 3.086 -0.954 43 HB2 GLU 7 2HB GLU 7 -8.769 0.538 -1.867 44 HB3 GLU 7 1HB GLU 7 -8.984 1.106 -0.217 45 HG2 GLU 7 2HG GLU 7 -11.140 0.157 -2.096 46 HG3 GLU 7 1HG GLU 7 -10.445 -0.737 -0.749 47 H TYR 8 H TYR 8 -8.346 4.397 -0.660 48 HA TYR 8 HA TYR 8 -5.865 3.659 -1.793 49 HD1 TYR 8 1HD TYR 8 -6.381 7.944 -1.343 50 HD2 TYR 8 2HD TYR 8 -8.465 5.636 -4.241 51 HE1 TYR 8 1HE TYR 8 -8.025 9.749 -1.593 52 HE2 TYR 8 2HE TYR 8 -10.118 7.419 -4.495 53 HH TYR 8 HH TYR 8 -9.601 10.531 -3.162 54 HB2 TYR 8 2HB TYR 8 -5.354 6.087 -2.453 55 HB3 TYR 8 1HB TYR 8 -6.197 5.068 -3.621 56 H CYS 9 H CYS 9 -4.078 4.505 -0.872 57 HA CYS 9 HA CYS 9 -4.619 5.501 1.820 58 HG CYS 9 HG CYS 9 -2.757 3.142 -0.643 59 HB2 CYS 9 2HB CYS 9 -2.847 3.871 2.575 60 HB3 CYS 9 1HB CYS 9 -4.378 3.161 2.066 61 H ARG 10 H ARG 10 -3.019 6.675 2.762 62 HA ARG 10 HA ARG 10 -0.996 7.763 0.945 63 HE ARG 10 HE ARG 10 0.969 11.854 3.482 64 HB2 ARG 10 2HB ARG 10 -2.505 9.422 1.944 65 HB3 ARG 10 1HB ARG 10 -2.109 8.823 3.550 66 HG2 ARG 10 2HG ARG 10 0.207 9.567 3.254 67 HG3 ARG 10 1HG ARG 10 -0.201 10.187 1.654 68 HD2 ARG 10 2HD ARG 10 -1.795 11.728 2.641 69 HD3 ARG 10 1HD ARG 10 -1.463 11.077 4.241 70 HH11 ARG 10 1HH1 ARG 10 -2.102 13.600 3.279 71 HH12 ARG 10 2HH1 ARG 10 -1.406 15.133 3.538 72 HH21 ARG 10 1HH2 ARG 10 1.913 13.926 3.804 73 HH22 ARG 10 2HH2 ARG 10 0.952 15.328 3.840 74 H THR 11 H THR 11 1.067 7.468 1.400 75 HA THR 11 HA THR 11 1.968 5.531 3.251 76 HB THR 11 HB THR 11 4.183 6.398 2.525 77 HG1 THR 11 1HG THR 11 2.755 8.510 2.246 78 HG21 THR 11 3HG2 THR 11 2.146 6.121 0.298 79 HG22 THR 11 1HG2 THR 11 2.948 4.777 1.110 80 HG23 THR 11 2HG2 THR 11 3.890 5.909 0.138 81 H LEU 12 H LEU 12 2.782 5.845 5.329 82 HA LEU 12 HA LEU 12 2.841 8.621 6.317 83 HG LEU 12 HG LEU 12 0.528 6.637 6.862 84 HB2 LEU 12 2HB LEU 12 2.690 6.015 7.815 85 HB3 LEU 12 1HB LEU 12 2.811 7.588 8.569 86 HD11 LEU 12 1HD1 LEU 12 -0.711 6.627 9.020 87 HD12 LEU 12 2HD1 LEU 12 0.799 7.002 9.851 88 HD13 LEU 12 3HD1 LEU 12 0.620 5.470 8.997 89 HD21 LEU 12 3HD2 LEU 12 -0.602 8.678 7.699 90 HD22 LEU 12 1HD2 LEU 12 0.811 9.045 6.707 91 HD23 LEU 12 2HD2 LEU 12 0.907 9.171 8.462 92 H PHE 13 H PHE 13 4.779 5.939 5.504 93 HA PHE 13 HA PHE 13 7.174 7.289 6.461 94 HD1 PHE 13 2HD PHE 13 8.158 7.074 9.098 95 HD2 PHE 13 1HD PHE 13 4.780 4.522 8.730 96 HE1 PHE 13 2HE PHE 13 7.397 7.765 11.335 97 HE2 PHE 13 1HE PHE 13 4.010 5.202 10.960 98 HZ PHE 13 HZ PHE 13 5.318 6.827 12.269 99 HB2 PHE 13 2HB PHE 13 6.495 4.408 7.166 100 HB3 PHE 13 1HB PHE 13 8.055 5.166 7.439 101 HA PRO 14 HA PRO 14 8.507 5.493 2.593 102 HB2 PRO 14 2HB PRO 14 11.197 5.662 2.880 103 HB3 PRO 14 1HB PRO 14 10.188 7.073 2.549 104 HG2 PRO 14 2HG PRO 14 11.379 6.156 5.126 105 HG3 PRO 14 1HG PRO 14 11.192 7.803 4.503 106 HD2 PRO 14 2HD PRO 14 9.532 6.657 6.373 107 HD3 PRO 14 1HD PRO 14 9.050 7.978 5.288 108 H TYR 15 H TYR 15 9.018 3.493 1.872 109 HA TYR 15 HA TYR 15 10.368 1.580 3.600 110 HD1 TYR 15 2HD TYR 15 9.220 -0.260 5.495 111 HD2 TYR 15 1HD TYR 15 7.616 -1.032 1.632 112 HE1 TYR 15 2HE TYR 15 9.316 -2.673 5.942 113 HE2 TYR 15 1HE TYR 15 7.702 -3.444 2.070 114 HH TYR 15 HH TYR 15 8.858 -5.014 3.495 115 HB2 TYR 15 2HB TYR 15 7.966 1.472 4.198 116 HB3 TYR 15 1HB TYR 15 7.571 1.181 2.516 117 H THR 16 H THR 16 11.425 0.059 2.387 118 HA THR 16 HA THR 16 11.194 0.330 -0.519 119 HB THR 16 HB THR 16 13.595 -0.477 1.136 120 HG1 THR 16 1HG THR 16 12.543 1.871 0.634 121 HG21 THR 16 3HG2 THR 16 13.348 0.128 -1.832 122 HG22 THR 16 1HG2 THR 16 13.573 -1.478 -1.134 123 HG23 THR 16 2HG2 THR 16 14.840 -0.263 -0.975 124 H GLY 17 H GLY 17 10.698 -1.428 -1.652 125 HA2 GLY 17 2HA GLY 17 10.264 -3.891 -0.251 126 HA3 GLY 17 1HA GLY 17 9.822 -3.521 -1.923 127 H THR 18 H THR 18 11.781 -5.459 -0.121 128 HA THR 18 HA THR 18 14.188 -5.212 -1.538 129 HB THR 18 HB THR 18 13.000 -7.169 0.421 130 HG1 THR 18 1HG THR 18 13.740 -4.625 0.655 131 HG21 THR 18 3HG2 THR 18 15.795 -6.507 -0.358 132 HG22 THR 18 1HG2 THR 18 14.877 -7.963 -0.785 133 HG23 THR 18 2HG2 THR 18 15.300 -7.655 0.927 134 H ASN 19 H ASN 19 11.187 -6.856 -1.450 135 HA ASN 19 HA ASN 19 11.879 -8.861 -3.455 136 HB2 ASN 19 2HB ASN 19 9.330 -8.295 -1.931 137 HB3 ASN 19 1HB ASN 19 9.579 -9.641 -3.028 138 HD21 ASN 19 1HD2 ASN 19 10.392 -8.282 0.122 139 HD22 ASN 19 2HD2 ASN 19 10.990 -9.752 0.771 140 H GLU 20 H GLU 20 10.262 -9.024 -5.307 141 HA GLU 20 HA GLU 20 9.882 -6.381 -6.386 142 HB2 GLU 20 2HB GLU 20 9.187 -7.532 -8.476 143 HB3 GLU 20 1HB GLU 20 10.758 -8.065 -7.921 144 HG2 GLU 20 2HG GLU 20 8.220 -9.597 -7.416 145 HG3 GLU 20 1HG GLU 20 9.208 -9.822 -8.855 146 H ASP 21 H ASP 21 8.021 -8.848 -4.914 147 HA ASP 21 HA ASP 21 5.517 -7.522 -5.599 148 HB2 ASP 21 2HB ASP 21 6.034 -10.075 -4.060 149 HB3 ASP 21 1HB ASP 21 4.433 -9.373 -4.279 150 H GLU 22 H GLU 22 7.762 -6.732 -3.663 151 HA GLU 22 HA GLU 22 5.999 -5.950 -1.467 152 HB2 GLU 22 2HB GLU 22 7.989 -7.293 -0.861 153 HB3 GLU 22 1HB GLU 22 9.022 -6.102 -1.640 154 HG2 GLU 22 2HG GLU 22 8.318 -4.459 0.052 155 HG3 GLU 22 1HG GLU 22 7.317 -5.704 0.798 156 H LEU 23 H LEU 23 5.709 -3.748 -1.265 157 HA LEU 23 HA LEU 23 6.357 -2.328 -3.727 158 HG LEU 23 HG LEU 23 4.012 -1.564 -4.547 159 HB2 LEU 23 2HB LEU 23 4.067 -2.583 -2.337 160 HB3 LEU 23 1HB LEU 23 4.665 -1.105 -1.630 161 HD11 LEU 23 1HD1 LEU 23 2.064 -1.390 -3.156 162 HD12 LEU 23 2HD1 LEU 23 2.241 0.055 -4.151 163 HD13 LEU 23 3HD1 LEU 23 2.675 0.103 -2.443 164 HD21 LEU 23 3HD2 LEU 23 4.451 0.787 -4.902 165 HD22 LEU 23 1HD2 LEU 23 5.899 0.004 -4.284 166 HD23 LEU 23 2HD2 LEU 23 4.905 0.994 -3.210 167 H THR 24 H THR 24 7.843 -0.727 -3.856 168 HA THR 24 HA THR 24 9.013 0.353 -1.426 169 HB THR 24 HB THR 24 9.697 0.696 -4.367 170 HG1 THR 24 1HG THR 24 11.196 -0.816 -4.017 171 HG21 THR 24 3HG2 THR 24 10.359 2.701 -3.122 172 HG22 THR 24 1HG2 THR 24 11.782 1.776 -3.588 173 HG23 THR 24 2HG2 THR 24 11.198 1.718 -1.925 174 H PHE 25 H PHE 25 8.197 2.174 -0.630 175 HA PHE 25 HA PHE 25 7.052 4.078 -2.456 176 HD1 PHE 25 2HD PHE 25 5.333 0.875 -0.700 177 HD2 PHE 25 1HD PHE 25 5.437 4.484 1.532 178 HE1 PHE 25 2HE PHE 25 4.977 -0.394 1.350 179 HE2 PHE 25 1HE PHE 25 5.068 3.224 3.598 180 HZ PHE 25 HZ PHE 25 4.835 0.771 3.513 181 HB2 PHE 25 2HB PHE 25 5.148 4.502 -0.864 182 HB3 PHE 25 1HB PHE 25 5.077 3.013 -1.786 183 H ARG 26 H ARG 26 7.083 6.154 -1.890 184 HA ARG 26 HA ARG 26 9.035 6.879 0.110 185 HE ARG 26 HE ARG 26 7.463 10.494 -2.928 186 HB2 ARG 26 2HB ARG 26 9.389 7.647 -2.135 187 HB3 ARG 26 1HB ARG 26 7.736 8.245 -2.237 188 HG2 ARG 26 2HG ARG 26 8.245 9.929 -0.619 189 HG3 ARG 26 1HG ARG 26 9.903 9.314 -0.485 190 HD2 ARG 26 2HD ARG 26 9.843 11.261 -1.973 191 HD3 ARG 26 1HD ARG 26 10.261 9.784 -2.829 192 HH11 ARG 26 1HH1 ARG 26 10.621 10.684 -4.533 193 HH12 ARG 26 2HH1 ARG 26 9.984 11.110 -6.041 194 HH21 ARG 26 1HH2 ARG 26 6.599 11.043 -4.909 195 HH22 ARG 26 2HH2 ARG 26 7.575 11.318 -6.289 196 H GLU 27 H GLU 27 8.473 8.766 1.400 197 HA GLU 27 HA GLU 27 5.851 8.655 2.563 198 HB2 GLU 27 2HB GLU 27 7.885 9.184 3.858 199 HB3 GLU 27 1HB GLU 27 8.083 10.650 2.910 200 HG2 GLU 27 2HG GLU 27 5.722 11.244 3.768 201 HG3 GLU 27 1HG GLU 27 6.049 10.022 4.999 202 H GLY 28 H GLY 28 4.184 9.684 1.725 203 HA2 GLY 28 2HA GLY 28 3.163 11.847 1.246 204 HA3 GLY 28 1HA GLY 28 4.617 12.250 0.336 205 H GLU 29 H GLU 29 3.680 9.037 -0.074 206 HA GLU 29 HA GLU 29 2.724 9.733 -2.729 207 HB2 GLU 29 2HB GLU 29 3.700 7.076 -1.678 208 HB3 GLU 29 1HB GLU 29 3.251 7.422 -3.339 209 HG2 GLU 29 2HG GLU 29 5.575 8.556 -1.808 210 HG3 GLU 29 1HG GLU 29 5.639 7.410 -3.146 211 H ILE 30 H ILE 30 0.913 8.661 -3.606 212 HA ILE 30 HA ILE 30 -0.979 7.705 -1.591 213 HB ILE 30 HB ILE 30 -1.559 8.913 -4.318 214 HG12 ILE 30 2HG1 ILE 30 -0.803 10.632 -2.726 215 HG13 ILE 30 1HG1 ILE 30 -2.514 10.804 -3.098 216 HG21 ILE 30 1HG2 ILE 30 -3.466 8.025 -2.149 217 HG22 ILE 30 2HG2 ILE 30 -3.235 7.254 -3.718 218 HG23 ILE 30 3HG2 ILE 30 -3.927 8.871 -3.626 219 HD11 ILE 30 3HD1 ILE 30 -3.075 9.757 -0.949 220 HD12 ILE 30 1HD1 ILE 30 -2.080 11.199 -0.742 221 HD13 ILE 30 2HD1 ILE 30 -1.356 9.600 -0.588 222 H ILE 31 H ILE 31 -1.108 5.661 -1.621 223 HA ILE 31 HA ILE 31 -0.438 4.123 -4.024 224 HB ILE 31 HB ILE 31 -0.899 3.172 -1.172 225 HG12 ILE 31 2HG1 ILE 31 1.710 3.494 -2.665 226 HG13 ILE 31 1HG1 ILE 31 1.137 4.577 -1.398 227 HG21 ILE 31 1HG2 ILE 31 -1.377 1.435 -2.811 228 HG22 ILE 31 2HG2 ILE 31 0.103 1.054 -1.928 229 HG23 ILE 31 3HG2 ILE 31 0.195 1.691 -3.569 230 HD11 ILE 31 3HD1 ILE 31 2.805 3.016 -0.562 231 HD12 ILE 31 1HD1 ILE 31 1.809 1.658 -1.080 232 HD13 ILE 31 2HD1 ILE 31 1.241 2.728 0.202 233 H HIS 32 H HIS 32 -2.017 2.973 -5.073 234 HA HIS 32 HA HIS 32 -4.742 3.382 -4.161 235 HD1 HIS 32 1HD HIS 32 -2.694 3.892 -8.157 236 HD2 HIS 32 2HD HIS 32 -6.016 5.164 -5.996 237 HE1 HIS 32 1HE HIS 32 -3.150 6.245 -8.897 238 HB2 HIS 32 2HB HIS 32 -3.637 2.088 -6.682 239 HB3 HIS 32 1HB HIS 32 -5.349 2.280 -6.331 240 H LEU 33 H LEU 33 -5.701 1.938 -2.965 241 HA LEU 33 HA LEU 33 -4.222 -0.389 -2.218 242 HG LEU 33 HG LEU 33 -5.066 -1.303 0.144 243 HB2 LEU 33 2HB LEU 33 -5.354 1.107 -0.590 244 HB3 LEU 33 1HB LEU 33 -6.895 0.668 -1.263 245 HD11 LEU 33 1HD1 LEU 33 -6.533 -0.991 2.072 246 HD12 LEU 33 2HD1 LEU 33 -7.393 0.284 1.213 247 HD13 LEU 33 3HD1 LEU 33 -5.696 0.498 1.647 248 HD21 LEU 33 3HD2 LEU 33 -6.784 -2.306 -1.327 249 HD22 LEU 33 1HD2 LEU 33 -8.032 -1.418 -0.455 250 HD23 LEU 33 2HD2 LEU 33 -7.078 -2.656 0.371 251 H ILE 34 H ILE 34 -4.484 -2.282 -2.993 252 HA ILE 34 HA ILE 34 -6.594 -2.753 -4.934 253 HB ILE 34 HB ILE 34 -4.098 -4.341 -4.267 254 HG12 ILE 34 2HG1 ILE 34 -3.532 -2.236 -5.348 255 HG13 ILE 34 1HG1 ILE 34 -3.263 -3.567 -6.464 256 HG21 ILE 34 1HG2 ILE 34 -4.547 -5.637 -6.296 257 HG22 ILE 34 2HG2 ILE 34 -6.075 -4.779 -6.494 258 HG23 ILE 34 3HG2 ILE 34 -5.828 -5.823 -5.095 259 HD11 ILE 34 3HD1 ILE 34 -5.400 -3.031 -7.567 260 HD12 ILE 34 1HD1 ILE 34 -4.257 -1.687 -7.611 261 HD13 ILE 34 2HD1 ILE 34 -5.598 -1.660 -6.472 262 H SER 35 H SER 35 -5.129 -4.251 -2.051 263 HA SER 35 HA SER 35 -7.688 -5.349 -1.281 264 HG SER 35 HG SER 35 -7.373 -6.216 -3.403 265 HB2 SER 35 2HB SER 35 -5.366 -7.148 -2.004 266 HB3 SER 35 1HB SER 35 -6.849 -7.689 -1.223 267 H LYS 36 H LYS 36 -7.794 -5.310 0.939 268 HA LYS 36 HA LYS 36 -5.360 -5.000 2.489 269 HB2 LYS 36 2HB LYS 36 -8.256 -5.278 3.338 270 HB3 LYS 36 1HB LYS 36 -6.935 -5.065 4.470 271 HG2 LYS 36 2HG LYS 36 -6.444 -2.890 3.486 272 HG3 LYS 36 1HG LYS 36 -7.769 -3.054 2.357 273 HD2 LYS 36 2HD LYS 36 -7.966 -2.948 5.371 274 HD3 LYS 36 1HD LYS 36 -8.409 -1.667 4.246 275 HE2 LYS 36 2HE LYS 36 -10.157 -3.150 3.308 276 HE3 LYS 36 1HE LYS 36 -9.726 -4.368 4.503 277 HZ1 LYS 36 3HZ LYS 36 -10.797 -1.662 5.081 278 HZ2 LYS 36 1HZ LYS 36 -10.318 -2.781 6.255 279 HZ3 LYS 36 2HZ LYS 36 -11.619 -3.117 5.247 280 H GLU 37 H GLU 37 -7.237 -7.488 1.285 281 HA GLU 37 HA GLU 37 -6.378 -9.425 3.282 282 HB2 GLU 37 2HB GLU 37 -8.751 -9.422 2.637 283 HB3 GLU 37 1HB GLU 37 -8.300 -9.667 0.960 284 HG2 GLU 37 2HG GLU 37 -7.335 -11.849 1.569 285 HG3 GLU 37 1HG GLU 37 -7.878 -11.597 3.228 286 H THR 38 H THR 38 -4.247 -9.768 2.792 287 HA THR 38 HA THR 38 -3.576 -10.647 0.081 288 HB THR 38 HB THR 38 -1.225 -10.475 1.048 289 HG1 THR 38 1HG THR 38 -2.067 -8.739 3.006 290 HG21 THR 38 3HG2 THR 38 -2.196 -8.739 -0.394 291 HG22 THR 38 1HG2 THR 38 -1.184 -8.023 0.863 292 HG23 THR 38 2HG2 THR 38 -2.941 -7.984 1.017 293 H GLY 39 H GLY 39 -4.605 -11.822 2.889 294 HA2 GLY 39 2HA GLY 39 -4.758 -14.313 2.975 295 HA3 GLY 39 1HA GLY 39 -3.005 -14.289 2.777 296 H GLU 40 H GLU 40 -2.379 -12.116 4.371 297 HA GLU 40 HA GLU 40 -3.200 -13.046 7.019 298 HB2 GLU 40 2HB GLU 40 -0.471 -12.038 6.190 299 HB3 GLU 40 1HB GLU 40 -0.943 -12.454 7.827 300 HG2 GLU 40 2HG GLU 40 -1.315 -14.782 7.104 301 HG3 GLU 40 1HG GLU 40 -0.769 -14.341 5.487 302 H ALA 41 H ALA 41 -3.985 -11.541 8.301 303 HA ALA 41 HA ALA 41 -4.543 -8.930 7.346 304 HB1 ALA 41 1HB ALA 41 -5.546 -8.551 9.548 305 HB2 ALA 41 2HB ALA 41 -4.786 -10.023 10.152 306 HB3 ALA 41 3HB ALA 41 -6.025 -10.123 8.903 307 H GLY 42 H GLY 42 -3.308 -7.192 7.375 308 HA2 GLY 42 2HA GLY 42 -1.918 -5.773 8.927 309 HA3 GLY 42 1HA GLY 42 -0.912 -7.210 9.083 310 H TRP 43 H TRP 43 -1.455 -7.909 6.261 311 HA TRP 43 HA TRP 43 0.423 -6.018 5.068 312 HD1 TRP 43 HD TRP 43 1.089 -9.513 6.880 313 HE1 TRP 43 1HE TRP 43 3.579 -9.502 7.546 314 HE3 TRP 43 3HE TRP 43 2.940 -6.745 3.012 315 HZ2 TRP 43 2HZ TRP 43 6.012 -8.460 6.537 316 HZ3 TRP 43 3HZ TRP 43 5.347 -6.286 2.927 317 HH2 TRP 43 HH TRP 43 6.848 -7.124 4.647 318 HB2 TRP 43 2HB TRP 43 -0.112 -8.931 4.497 319 HB3 TRP 43 1HB TRP 43 0.784 -7.906 3.390 320 H TRP 44 H TRP 44 -0.288 -4.759 3.561 321 HA TRP 44 HA TRP 44 -2.878 -5.344 2.318 322 HD1 TRP 44 HD TRP 44 -3.479 -5.109 4.616 323 HE1 TRP 44 1HE TRP 44 -5.102 -3.995 6.243 324 HE3 TRP 44 3HE TRP 44 -3.193 -0.322 2.871 325 HZ2 TRP 44 2HZ TRP 44 -6.137 -1.404 6.738 326 HZ3 TRP 44 3HZ TRP 44 -4.535 1.413 3.976 327 HH2 TRP 44 HH TRP 44 -5.980 0.872 5.862 328 HB2 TRP 44 2HB TRP 44 -1.447 -2.756 2.890 329 HB3 TRP 44 1HB TRP 44 -2.794 -2.860 1.770 330 H LYS 45 H LYS 45 -3.067 -4.916 0.099 331 HA LYS 45 HA LYS 45 -0.499 -4.901 -1.337 332 HB2 LYS 45 2HB LYS 45 -1.933 -6.998 -1.514 333 HB3 LYS 45 1HB LYS 45 -3.162 -6.004 -2.254 334 HG2 LYS 45 2HG LYS 45 -1.661 -5.505 -4.126 335 HG3 LYS 45 1HG LYS 45 -0.408 -6.504 -3.387 336 HD2 LYS 45 2HD LYS 45 -1.916 -8.445 -3.491 337 HD3 LYS 45 1HD LYS 45 -3.138 -7.444 -4.268 338 HE2 LYS 45 2HE LYS 45 -2.001 -8.748 -5.931 339 HE3 LYS 45 1HE LYS 45 -1.571 -7.056 -6.146 340 HZ1 LYS 45 3HZ LYS 45 0.293 -8.642 -6.353 341 HZ2 LYS 45 1HZ LYS 45 0.120 -9.069 -4.751 342 HZ3 LYS 45 2HZ LYS 45 0.606 -7.498 -5.201 343 H GLY 46 H GLY 46 -0.219 -3.241 -2.673 344 HA2 GLY 46 2HA GLY 46 -2.526 -1.676 -3.526 345 HA3 GLY 46 1HA GLY 46 -1.234 -0.863 -2.652 346 H GLU 47 H GLU 47 -1.947 -0.177 -5.236 347 HA GLU 47 HA GLU 47 0.376 -1.151 -6.745 348 HB2 GLU 47 2HB GLU 47 -1.997 -1.764 -7.567 349 HB3 GLU 47 1HB GLU 47 -2.178 -0.067 -7.950 350 HG2 GLU 47 2HG GLU 47 0.009 -1.792 -9.109 351 HG3 GLU 47 1HG GLU 47 -1.571 -1.614 -9.855 352 H LEU 48 H LEU 48 1.812 0.288 -7.155 353 HA LEU 48 HA LEU 48 1.131 3.059 -7.558 354 HG LEU 48 HG LEU 48 3.912 4.208 -6.613 355 HB2 LEU 48 2HB LEU 48 1.562 2.998 -5.154 356 HB3 LEU 48 1HB LEU 48 3.085 2.178 -5.425 357 HD11 LEU 48 1HD1 LEU 48 1.366 5.457 -5.611 358 HD12 LEU 48 2HD1 LEU 48 1.812 5.180 -7.296 359 HD13 LEU 48 3HD1 LEU 48 2.729 6.323 -6.319 360 HD21 LEU 48 3HD2 LEU 48 4.456 3.802 -4.262 361 HD22 LEU 48 1HD2 LEU 48 3.000 4.668 -3.775 362 HD23 LEU 48 2HD2 LEU 48 4.298 5.526 -4.600 363 H ASN 49 H ASN 49 2.045 3.513 -9.397 364 HA ASN 49 HA ASN 49 3.573 3.956 -10.957 365 HB2 ASN 49 2HB ASN 49 5.575 2.964 -8.916 366 HB3 ASN 49 1HB ASN 49 6.036 3.639 -10.478 367 HD21 ASN 49 1HD2 ASN 49 6.626 4.622 -7.783 368 HD22 ASN 49 2HD2 ASN 49 6.003 6.215 -7.702 369 H GLY 50 H GLY 50 2.276 1.250 -10.610 370 HA2 GLY 50 2HA GLY 50 2.084 -0.033 -12.608 371 HA3 GLY 50 1HA GLY 50 3.823 0.101 -12.808 372 H LYS 51 H LYS 51 3.247 -0.449 -9.617 373 HA LYS 51 HA LYS 51 3.423 -3.340 -10.026 374 HB2 LYS 51 2HB LYS 51 5.148 -1.782 -8.086 375 HB3 LYS 51 1HB LYS 51 5.078 -3.529 -8.202 376 HG2 LYS 51 2HG LYS 51 7.015 -2.979 -9.307 377 HG3 LYS 51 1HG LYS 51 5.868 -3.217 -10.614 378 HD2 LYS 51 2HD LYS 51 5.458 -0.741 -10.629 379 HD3 LYS 51 1HD LYS 51 6.781 -0.567 -9.483 380 HE2 LYS 51 2HE LYS 51 8.333 -1.489 -11.102 381 HE3 LYS 51 1HE LYS 51 7.011 -1.777 -12.235 382 HZ1 LYS 51 3HZ LYS 51 7.996 0.857 -11.286 383 HZ2 LYS 51 1HZ LYS 51 6.611 0.659 -12.224 384 HZ3 LYS 51 2HZ LYS 51 8.132 0.257 -12.826 385 H GLU 52 H GLU 52 2.245 -4.494 -8.752 386 HA GLU 52 HA GLU 52 0.934 -3.086 -6.569 387 HB2 GLU 52 2HB GLU 52 -0.872 -4.769 -6.702 388 HB3 GLU 52 1HB GLU 52 -0.784 -3.725 -8.109 389 HG2 GLU 52 2HG GLU 52 0.411 -5.563 -9.310 390 HG3 GLU 52 1HG GLU 52 0.124 -6.595 -7.909 391 H GLY 53 H GLY 53 2.045 -3.393 -4.964 392 HA2 GLY 53 2HA GLY 53 3.065 -6.102 -4.437 393 HA3 GLY 53 1HA GLY 53 3.940 -4.638 -4.002 394 H VAL 54 H VAL 54 3.805 -6.043 -1.997 395 HA VAL 54 HA VAL 54 1.409 -5.254 -0.531 396 HB VAL 54 HB VAL 54 1.878 -7.098 1.039 397 HG11 VAL 54 1HG1 VAL 54 1.676 -7.985 -1.824 398 HG12 VAL 54 2HG1 VAL 54 0.343 -7.503 -0.776 399 HG13 VAL 54 3HG1 VAL 54 1.257 -8.969 -0.420 400 HG21 VAL 54 3HG2 VAL 54 3.530 -8.837 0.492 401 HG22 VAL 54 1HG2 VAL 54 4.302 -7.269 0.747 402 HG23 VAL 54 2HG2 VAL 54 4.069 -7.882 -0.892 403 H PHE 55 H PHE 55 1.672 -4.610 1.572 404 HA PHE 55 HA PHE 55 4.278 -3.833 2.467 405 HD1 PHE 55 2HD PHE 55 1.606 -0.833 3.741 406 HD2 PHE 55 1HD PHE 55 1.667 -2.009 -0.353 407 HE1 PHE 55 2HE PHE 55 -0.633 0.118 3.442 408 HE2 PHE 55 1HE PHE 55 -0.573 -1.047 -0.662 409 HZ PHE 55 HZ PHE 55 -1.726 0.019 1.229 410 HB2 PHE 55 2HB PHE 55 3.714 -1.438 2.592 411 HB3 PHE 55 1HB PHE 55 3.670 -2.042 0.934 412 HA PRO 56 HA PRO 56 1.984 -4.393 6.231 413 HB2 PRO 56 2HB PRO 56 3.739 -2.657 7.741 414 HB3 PRO 56 1HB PRO 56 3.681 -4.418 7.727 415 HG2 PRO 56 2HG PRO 56 5.780 -3.001 6.710 416 HG3 PRO 56 1HG PRO 56 5.297 -4.612 6.142 417 HD2 PRO 56 2HD PRO 56 4.713 -1.934 4.951 418 HD3 PRO 56 1HD PRO 56 5.202 -3.450 4.157 419 H ASP 57 H ASP 57 0.269 -3.495 7.030 420 HA ASP 57 HA ASP 57 -0.999 -1.172 6.364 421 HB2 ASP 57 2HB ASP 57 -2.250 -2.802 7.442 422 HB3 ASP 57 1HB ASP 57 -1.157 -2.896 8.812 423 H ASN 58 H ASN 58 1.298 -1.533 8.954 424 HA ASN 58 HA ASN 58 0.796 0.846 10.378 425 HB2 ASN 58 2HB ASN 58 3.311 -0.804 10.220 426 HB3 ASN 58 1HB ASN 58 3.045 0.511 11.362 427 HD21 ASN 58 1HD2 ASN 58 1.663 0.194 13.083 428 HD22 ASN 58 2HD2 ASN 58 1.061 -1.379 13.496 429 H PHE 59 H PHE 59 2.341 0.460 7.365 430 HA PHE 59 HA PHE 59 3.882 2.900 7.751 431 HD1 PHE 59 2HD PHE 59 4.501 -0.680 7.617 432 HD2 PHE 59 1HD PHE 59 6.934 2.577 6.377 433 HE1 PHE 59 2HE PHE 59 6.394 -1.624 8.871 434 HE2 PHE 59 1HE PHE 59 8.832 1.647 7.634 435 HZ PHE 59 HZ PHE 59 8.564 -0.459 8.883 436 HB2 PHE 59 2HB PHE 59 3.957 0.796 5.599 437 HB3 PHE 59 1HB PHE 59 4.814 2.328 5.457 438 H ALA 60 H ALA 60 0.793 2.301 6.950 439 HA ALA 60 HA ALA 60 0.678 4.668 5.275 440 HB1 ALA 60 1HB ALA 60 -0.768 3.614 3.629 441 HB2 ALA 60 2HB ALA 60 -0.640 2.077 4.477 442 HB3 ALA 60 3HB ALA 60 0.785 2.778 3.706 443 H VAL 61 H VAL 61 -1.617 5.317 4.921 444 HA VAL 61 HA VAL 61 -3.466 4.446 7.000 445 HB VAL 61 HB VAL 61 -2.307 6.502 7.815 446 HG11 VAL 61 1HG1 VAL 61 -1.761 7.601 5.752 447 HG12 VAL 61 2HG1 VAL 61 -2.714 8.686 6.771 448 HG13 VAL 61 3HG1 VAL 61 -3.469 7.866 5.405 449 HG21 VAL 61 3HG2 VAL 61 -4.299 7.833 8.350 450 HG22 VAL 61 1HG2 VAL 61 -4.547 6.102 8.573 451 HG23 VAL 61 2HG2 VAL 61 -5.207 6.913 7.150 452 H GLN 62 H GLN 62 -5.546 4.241 6.174 453 HA GLN 62 HA GLN 62 -5.706 4.607 3.316 454 HB2 GLN 62 2HB GLN 62 -6.547 2.522 4.466 455 HB3 GLN 62 1HB GLN 62 -7.868 3.493 5.108 456 HG2 GLN 62 2HG GLN 62 -8.545 4.057 2.825 457 HG3 GLN 62 1HG GLN 62 -7.249 3.050 2.199 458 HE21 GLN 62 1HE2 GLN 62 -10.016 2.864 1.713 459 HE22 GLN 62 2HE2 GLN 62 -10.533 1.299 2.196 460 H ILE 63 H ILE 63 -6.695 6.185 2.316 461 HA ILE 63 HA ILE 63 -7.811 8.368 3.910 462 HB ILE 63 HB ILE 63 -7.348 8.274 0.917 463 HG12 ILE 63 2HG1 ILE 63 -5.249 7.780 2.021 464 HG13 ILE 63 1HG1 ILE 63 -5.193 9.373 1.295 465 HG21 ILE 63 1HG2 ILE 63 -7.563 10.594 2.831 466 HG22 ILE 63 2HG2 ILE 63 -8.807 10.061 1.708 467 HG23 ILE 63 3HG2 ILE 63 -7.288 10.717 1.091 468 HD11 ILE 63 3HD1 ILE 63 -5.607 10.389 3.519 469 HD12 ILE 63 1HD1 ILE 63 -4.134 9.417 3.497 470 HD13 ILE 63 2HD1 ILE 63 -5.598 8.777 4.234 471 H SER 64 H SER 64 -8.592 6.416 1.082 472 HA SER 64 HA SER 64 -11.407 7.036 1.471 473 HG SER 64 HG SER 64 -11.947 5.855 -1.523 474 HB2 SER 64 2HB SER 64 -10.353 7.926 -0.648 475 HB3 SER 64 1HB SER 64 -9.958 6.270 -1.084 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -12.346 -12.304 -1.687 2 H2 GLY 1 2HT GLY 1 -11.104 -13.066 -2.549 3 H3 GLY 1 3HT GLY 1 -11.908 -11.715 -3.211 4 HA2 GLY 1 1HA GLY 1 -10.179 -11.729 -0.828 5 HA3 GLY 1 2HA GLY 1 -9.787 -11.089 -2.422 6 H ALA 2 H ALA 2 -9.498 -9.259 -0.654 7 HA ALA 2 HA ALA 2 -12.041 -7.972 -0.094 8 HB1 ALA 2 1HB ALA 2 -10.774 -6.371 1.277 9 HB2 ALA 2 2HB ALA 2 -9.272 -7.142 0.786 10 HB3 ALA 2 3HB ALA 2 -10.447 -8.037 1.753 11 H MET 3 H MET 3 -12.477 -7.618 -2.227 12 HA MET 3 HA MET 3 -11.211 -5.198 -3.303 13 HB2 MET 3 2HB MET 3 -10.987 -7.023 -4.907 14 HB3 MET 3 1HB MET 3 -12.683 -7.434 -4.731 15 HG2 MET 3 2HG MET 3 -12.245 -6.290 -6.849 16 HG3 MET 3 1HG MET 3 -13.341 -5.373 -5.827 17 HE1 MET 3 3HE MET 3 -9.694 -5.672 -7.234 18 HE2 MET 3 1HE MET 3 -9.396 -5.638 -5.498 19 HE3 MET 3 2HE MET 3 -8.896 -4.280 -6.505 20 H GLY 4 H GLY 4 -12.371 -3.705 -2.325 21 HA2 GLY 4 2HA GLY 4 -15.282 -4.008 -2.296 22 HA3 GLY 4 1HA GLY 4 -14.357 -2.915 -1.273 23 H ALA 5 H ALA 5 -12.850 -1.435 -2.850 24 HA ALA 5 HA ALA 5 -14.331 -0.460 -5.063 25 HB1 ALA 5 1HB ALA 5 -15.577 0.532 -3.217 26 HB2 ALA 5 2HB ALA 5 -14.615 1.779 -4.010 27 HB3 ALA 5 3HB ALA 5 -14.084 1.094 -2.477 28 H LYS 6 H LYS 6 -13.153 1.839 -5.311 29 HA LYS 6 HA LYS 6 -10.302 1.217 -5.480 30 HB2 LYS 6 2HB LYS 6 -11.764 3.628 -6.612 31 HB3 LYS 6 1HB LYS 6 -10.144 3.085 -7.027 32 HG2 LYS 6 2HG LYS 6 -11.058 1.071 -8.021 33 HG3 LYS 6 1HG LYS 6 -12.691 1.576 -7.601 34 HD2 LYS 6 2HD LYS 6 -12.302 3.618 -9.022 35 HD3 LYS 6 1HD LYS 6 -10.787 2.878 -9.546 36 HE2 LYS 6 2HE LYS 6 -13.559 1.741 -9.902 37 HE3 LYS 6 1HE LYS 6 -12.536 2.425 -11.165 38 HZ1 LYS 6 3HZ LYS 6 -11.904 -0.030 -9.590 39 HZ2 LYS 6 1HZ LYS 6 -10.973 0.623 -10.826 40 HZ3 LYS 6 2HZ LYS 6 -12.490 -0.006 -11.156 41 H GLU 7 H GLU 7 -9.640 1.484 -3.451 42 HA GLU 7 HA GLU 7 -10.351 3.911 -1.992 43 HB2 GLU 7 2HB GLU 7 -9.188 1.282 -1.045 44 HB3 GLU 7 1HB GLU 7 -9.617 2.640 -0.009 45 HG2 GLU 7 2HG GLU 7 -11.950 2.395 -0.596 46 HG3 GLU 7 1HG GLU 7 -11.555 1.127 -1.751 47 H TYR 8 H TYR 8 -8.695 5.170 -1.029 48 HA TYR 8 HA TYR 8 -6.035 4.601 -2.105 49 HD1 TYR 8 2HD TYR 8 -9.251 6.759 -3.295 50 HD2 TYR 8 1HD TYR 8 -5.263 6.158 -4.649 51 HE1 TYR 8 2HE TYR 8 -10.076 6.509 -5.594 52 HE2 TYR 8 1HE TYR 8 -6.080 5.903 -6.949 53 HH TYR 8 HH TYR 8 -9.260 6.715 -7.844 54 HB2 TYR 8 2HB TYR 8 -7.272 7.353 -1.859 55 HB3 TYR 8 1HB TYR 8 -5.669 6.973 -2.434 56 H CYS 9 H CYS 9 -4.386 4.939 -0.824 57 HA CYS 9 HA CYS 9 -4.867 5.973 1.858 58 HG CYS 9 HG CYS 9 -3.752 3.032 -0.529 59 HB2 CYS 9 2HB CYS 9 -3.249 4.141 2.636 60 HB3 CYS 9 1HB CYS 9 -4.869 3.616 2.195 61 H ARG 10 H ARG 10 -2.738 6.652 2.865 62 HA ARG 10 HA ARG 10 -0.876 7.481 0.727 63 HE ARG 10 HE ARG 10 1.170 10.004 3.791 64 HB2 ARG 10 2HB ARG 10 -2.243 9.351 1.817 65 HB3 ARG 10 1HB ARG 10 -1.309 9.035 3.279 66 HG2 ARG 10 2HG ARG 10 0.739 9.329 1.707 67 HG3 ARG 10 1HG ARG 10 -0.402 10.144 0.649 68 HD2 ARG 10 2HD ARG 10 0.486 11.885 1.894 69 HD3 ARG 10 1HD ARG 10 -1.004 11.502 2.765 70 HH11 ARG 10 1HH1 ARG 10 -0.257 13.241 3.877 71 HH12 ARG 10 2HH1 ARG 10 0.491 13.699 5.326 72 HH21 ARG 10 1HH2 ARG 10 2.278 10.660 5.798 73 HH22 ARG 10 2HH2 ARG 10 1.989 12.200 6.429 74 H THR 11 H THR 11 1.265 7.324 1.214 75 HA THR 11 HA THR 11 2.059 5.459 3.179 76 HB THR 11 HB THR 11 4.332 6.062 2.404 77 HG1 THR 11 1HG THR 11 4.570 7.580 0.864 78 HG21 THR 11 3HG2 THR 11 2.220 5.669 0.322 79 HG22 THR 11 1HG2 THR 11 3.239 4.440 1.063 80 HG23 THR 11 2HG2 THR 11 3.927 5.642 -0.064 81 H LEU 12 H LEU 12 2.965 5.848 5.181 82 HA LEU 12 HA LEU 12 3.095 8.649 6.058 83 HG LEU 12 HG LEU 12 0.827 6.691 6.796 84 HB2 LEU 12 2HB LEU 12 3.075 6.077 7.623 85 HB3 LEU 12 1HB LEU 12 3.230 7.669 8.329 86 HD11 LEU 12 1HD1 LEU 12 -0.231 6.608 9.008 87 HD12 LEU 12 2HD1 LEU 12 1.314 7.021 9.753 88 HD13 LEU 12 3HD1 LEU 12 1.132 5.497 8.888 89 HD21 LEU 12 3HD2 LEU 12 1.111 9.115 6.675 90 HD22 LEU 12 1HD2 LEU 12 1.299 9.188 8.429 91 HD23 LEU 12 2HD2 LEU 12 -0.239 8.696 7.730 92 H PHE 13 H PHE 13 4.970 5.961 5.174 93 HA PHE 13 HA PHE 13 7.423 7.269 6.077 94 HD1 PHE 13 2HD PHE 13 8.711 6.432 8.738 95 HD2 PHE 13 1HD PHE 13 4.909 4.665 8.045 96 HE1 PHE 13 2HE PHE 13 8.078 6.896 11.064 97 HE2 PHE 13 1HE PHE 13 4.265 5.121 10.374 98 HZ PHE 13 HZ PHE 13 5.855 6.241 11.884 99 HB2 PHE 13 2HB PHE 13 6.711 4.361 6.499 100 HB3 PHE 13 1HB PHE 13 8.307 5.037 6.781 101 HA PRO 14 HA PRO 14 8.600 5.621 2.095 102 HB2 PRO 14 2HB PRO 14 11.380 5.527 2.727 103 HB3 PRO 14 1HB PRO 14 10.550 6.763 1.788 104 HG2 PRO 14 2HG PRO 14 11.698 7.089 4.316 105 HG3 PRO 14 1HG PRO 14 10.593 8.213 3.506 106 HD2 PRO 14 2HD PRO 14 10.072 6.299 5.698 107 HD3 PRO 14 1HD PRO 14 9.218 7.793 5.255 108 H TYR 15 H TYR 15 8.416 3.582 1.679 109 HA TYR 15 HA TYR 15 9.571 1.650 3.549 110 HD1 TYR 15 2HD TYR 15 8.408 -0.003 5.056 111 HD2 TYR 15 1HD TYR 15 6.987 -0.965 1.169 112 HE1 TYR 15 2HE TYR 15 8.498 -2.368 5.625 113 HE2 TYR 15 1HE TYR 15 7.069 -3.354 1.730 114 HH TYR 15 HH TYR 15 8.233 -4.861 3.341 115 HB2 TYR 15 2HB TYR 15 7.115 1.637 3.570 116 HB3 TYR 15 1HB TYR 15 7.101 1.292 1.833 117 H THR 16 H THR 16 11.205 0.639 2.769 118 HA THR 16 HA THR 16 11.585 0.645 -0.113 119 HB THR 16 HB THR 16 13.604 0.086 2.071 120 HG1 THR 16 1HG THR 16 13.360 2.186 2.292 121 HG21 THR 16 3HG2 THR 16 15.253 0.463 0.268 122 HG22 THR 16 1HG2 THR 16 13.938 0.664 -0.887 123 HG23 THR 16 2HG2 THR 16 14.198 -0.900 -0.111 124 H GLY 17 H GLY 17 10.862 -1.092 -1.079 125 HA2 GLY 17 2HA GLY 17 10.688 -3.648 0.186 126 HA3 GLY 17 1HA GLY 17 10.398 -3.278 -1.509 127 H THR 18 H THR 18 12.113 -5.236 0.123 128 HA THR 18 HA THR 18 14.540 -4.822 -1.507 129 HB THR 18 HB THR 18 15.072 -4.750 0.906 130 HG1 THR 18 1HG THR 18 16.077 -6.671 -0.750 131 HG21 THR 18 3HG2 THR 18 13.864 -7.506 1.035 132 HG22 THR 18 1HG2 THR 18 13.220 -6.050 1.793 133 HG23 THR 18 2HG2 THR 18 14.752 -6.731 2.346 134 H ASN 19 H ASN 19 11.802 -6.188 -1.579 135 HA ASN 19 HA ASN 19 12.618 -8.691 -2.859 136 HB2 ASN 19 2HB ASN 19 11.601 -9.223 -0.733 137 HB3 ASN 19 1HB ASN 19 10.280 -8.099 -1.025 138 HD21 ASN 19 1HD2 ASN 19 8.741 -9.600 -0.752 139 HD22 ASN 19 2HD2 ASN 19 8.434 -10.847 -1.899 140 H GLU 20 H GLU 20 11.061 -9.261 -4.591 141 HA GLU 20 HA GLU 20 10.484 -6.886 -6.124 142 HB2 GLU 20 2HB GLU 20 10.099 -9.780 -6.859 143 HB3 GLU 20 1HB GLU 20 10.015 -8.409 -7.953 144 HG2 GLU 20 2HG GLU 20 12.323 -7.926 -7.645 145 HG3 GLU 20 1HG GLU 20 12.454 -9.130 -6.364 146 H ASP 21 H ASP 21 8.576 -9.189 -4.332 147 HA ASP 21 HA ASP 21 6.168 -7.995 -5.469 148 HB2 ASP 21 2HB ASP 21 4.849 -9.693 -4.251 149 HB3 ASP 21 1HB ASP 21 6.081 -10.439 -5.253 150 H GLU 22 H GLU 22 8.237 -7.321 -3.128 151 HA GLU 22 HA GLU 22 6.308 -6.119 -1.311 152 HB2 GLU 22 2HB GLU 22 8.309 -7.305 -0.413 153 HB3 GLU 22 1HB GLU 22 9.340 -6.201 -1.307 154 HG2 GLU 22 2HG GLU 22 8.568 -4.355 0.065 155 HG3 GLU 22 1HG GLU 22 7.474 -5.442 0.917 156 H LEU 23 H LEU 23 5.654 -4.121 -1.794 157 HA LEU 23 HA LEU 23 6.841 -2.866 -4.125 158 HG LEU 23 HG LEU 23 3.416 -1.510 -4.893 159 HB2 LEU 23 2HB LEU 23 4.283 -3.247 -3.493 160 HB3 LEU 23 1HB LEU 23 4.485 -1.736 -2.653 161 HD11 LEU 23 1HD1 LEU 23 4.726 0.340 -5.745 162 HD12 LEU 23 2HD1 LEU 23 6.071 -0.123 -4.702 163 HD13 LEU 23 3HD1 LEU 23 4.548 0.418 -3.992 164 HD21 LEU 23 3HD2 LEU 23 4.738 -1.753 -6.897 165 HD22 LEU 23 1HD2 LEU 23 4.571 -3.289 -6.049 166 HD23 LEU 23 2HD2 LEU 23 6.085 -2.382 -5.955 167 H THR 24 H THR 24 7.689 -0.777 -4.182 168 HA THR 24 HA THR 24 8.698 0.166 -1.613 169 HB THR 24 HB THR 24 9.655 0.738 -4.420 170 HG1 THR 24 1HG THR 24 9.844 -1.378 -3.469 171 HG21 THR 24 3HG2 THR 24 10.210 2.591 -2.911 172 HG22 THR 24 1HG2 THR 24 11.667 1.668 -3.271 173 HG23 THR 24 2HG2 THR 24 10.845 1.463 -1.722 174 H PHE 25 H PHE 25 8.184 2.038 -0.798 175 HA PHE 25 HA PHE 25 6.492 3.902 -2.330 176 HD1 PHE 25 1HD PHE 25 3.636 3.533 -2.040 177 HD2 PHE 25 2HD PHE 25 5.775 0.697 0.266 178 HE1 PHE 25 1HE PHE 25 2.084 1.779 -2.771 179 HE2 PHE 25 2HE PHE 25 4.238 -1.059 -0.460 180 HZ PHE 25 HZ PHE 25 2.380 -0.525 -1.979 181 HB2 PHE 25 2HB PHE 25 6.164 3.026 0.547 182 HB3 PHE 25 1HB PHE 25 5.191 4.227 -0.283 183 H ARG 26 H ARG 26 6.744 6.098 -1.661 184 HA ARG 26 HA ARG 26 9.116 6.602 0.011 185 HE ARG 26 HE ARG 26 10.388 6.409 -4.901 186 HB2 ARG 26 2HB ARG 26 7.828 8.522 -1.980 187 HB3 ARG 26 1HB ARG 26 9.272 8.825 -1.049 188 HG2 ARG 26 2HG ARG 26 9.910 8.411 -3.303 189 HG3 ARG 26 1HG ARG 26 10.404 7.001 -2.364 190 HD2 ARG 26 2HD ARG 26 8.511 5.771 -3.124 191 HD3 ARG 26 1HD ARG 26 7.825 7.198 -3.880 192 HH11 ARG 26 1HH1 ARG 26 6.859 6.089 -5.109 193 HH12 ARG 26 2HH1 ARG 26 6.865 5.519 -6.717 194 HH21 ARG 26 1HH2 ARG 26 10.389 5.686 -7.139 195 HH22 ARG 26 2HH2 ARG 26 8.915 5.323 -7.909 196 H GLU 27 H GLU 27 8.772 8.943 1.076 197 HA GLU 27 HA GLU 27 6.452 8.570 2.731 198 HB2 GLU 27 2HB GLU 27 8.559 9.109 3.754 199 HB3 GLU 27 1HB GLU 27 8.717 10.539 2.754 200 HG2 GLU 27 2HG GLU 27 6.803 11.540 3.906 201 HG3 GLU 27 1HG GLU 27 6.684 10.104 4.926 202 H GLY 28 H GLY 28 4.515 9.366 2.129 203 HA2 GLY 28 2HA GLY 28 3.109 11.265 2.094 204 HA3 GLY 28 1HA GLY 28 4.425 12.197 1.413 205 H GLU 29 H GLU 29 3.226 9.056 0.175 206 HA GLU 29 HA GLU 29 2.027 10.535 -1.989 207 HB2 GLU 29 2HB GLU 29 2.940 8.877 -3.638 208 HB3 GLU 29 1HB GLU 29 4.104 9.980 -2.909 209 HG2 GLU 29 2HG GLU 29 4.747 8.110 -1.379 210 HG3 GLU 29 1HG GLU 29 3.740 7.049 -2.371 211 H ILE 30 H ILE 30 0.552 9.270 -3.333 212 HA ILE 30 HA ILE 30 -1.216 7.897 -1.496 213 HB ILE 30 HB ILE 30 -1.670 8.965 -4.297 214 HG12 ILE 30 2HG1 ILE 30 -1.265 10.697 -2.583 215 HG13 ILE 30 1HG1 ILE 30 -2.906 10.774 -3.222 216 HG21 ILE 30 1HG2 ILE 30 -4.071 8.635 -3.887 217 HG22 ILE 30 2HG2 ILE 30 -3.687 7.856 -2.352 218 HG23 ILE 30 3HG2 ILE 30 -3.183 7.108 -3.867 219 HD11 ILE 30 3HD1 ILE 30 -2.070 9.601 -0.572 220 HD12 ILE 30 1HD1 ILE 30 -3.717 9.652 -1.197 221 HD13 ILE 30 2HD1 ILE 30 -2.872 11.150 -0.826 222 H ILE 31 H ILE 31 -1.910 5.886 -1.689 223 HA ILE 31 HA ILE 31 -0.638 4.110 -3.682 224 HB ILE 31 HB ILE 31 -1.787 3.361 -0.992 225 HG12 ILE 31 2HG1 ILE 31 1.149 3.739 -1.623 226 HG13 ILE 31 1HG1 ILE 31 0.169 4.874 -0.694 227 HG21 ILE 31 1HG2 ILE 31 -0.013 1.851 -2.906 228 HG22 ILE 31 2HG2 ILE 31 -1.710 1.529 -2.553 229 HG23 ILE 31 3HG2 ILE 31 -0.488 1.284 -1.304 230 HD11 ILE 31 3HD1 ILE 31 0.749 2.015 0.062 231 HD12 ILE 31 1HD1 ILE 31 -0.231 3.148 0.990 232 HD13 ILE 31 2HD1 ILE 31 1.492 3.448 0.776 233 H HIS 32 H HIS 32 -2.081 2.922 -4.899 234 HA HIS 32 HA HIS 32 -4.907 3.316 -4.399 235 HD1 HIS 32 1HD HIS 32 -4.957 0.751 -8.361 236 HD2 HIS 32 2HD HIS 32 -7.053 3.140 -5.676 237 HE1 HIS 32 1HE HIS 32 -7.389 0.420 -8.877 238 HB2 HIS 32 2HB HIS 32 -4.018 3.519 -6.711 239 HB3 HIS 32 1HB HIS 32 -3.456 1.854 -6.631 240 H LEU 33 H LEU 33 -5.947 1.917 -3.159 241 HA LEU 33 HA LEU 33 -4.586 -0.400 -2.161 242 HG LEU 33 HG LEU 33 -5.532 -0.995 0.206 243 HB2 LEU 33 2HB LEU 33 -6.004 1.249 -0.839 244 HB3 LEU 33 1HB LEU 33 -7.397 0.548 -1.616 245 HD11 LEU 33 1HD1 LEU 33 -7.267 -0.722 1.897 246 HD12 LEU 33 2HD1 LEU 33 -8.174 0.321 0.802 247 HD13 LEU 33 3HD1 LEU 33 -6.597 0.832 1.405 248 HD21 LEU 33 3HD2 LEU 33 -8.347 -1.610 -0.715 249 HD22 LEU 33 1HD2 LEU 33 -7.330 -2.610 0.324 250 HD23 LEU 33 2HD2 LEU 33 -6.889 -2.362 -1.366 251 H ILE 34 H ILE 34 -4.744 -2.348 -2.950 252 HA ILE 34 HA ILE 34 -6.800 -2.931 -4.956 253 HB ILE 34 HB ILE 34 -4.172 -4.344 -4.404 254 HG12 ILE 34 2HG1 ILE 34 -3.793 -2.147 -5.355 255 HG13 ILE 34 1HG1 ILE 34 -3.430 -3.378 -6.556 256 HG21 ILE 34 1HG2 ILE 34 -5.808 -5.900 -5.308 257 HG22 ILE 34 2HG2 ILE 34 -4.561 -5.553 -6.511 258 HG23 ILE 34 3HG2 ILE 34 -6.146 -4.798 -6.645 259 HD11 ILE 34 3HD1 ILE 34 -5.615 -2.955 -7.608 260 HD12 ILE 34 1HD1 ILE 34 -4.591 -1.520 -7.569 261 HD13 ILE 34 2HD1 ILE 34 -5.915 -1.680 -6.424 262 H SER 35 H SER 35 -5.296 -4.189 -2.003 263 HA SER 35 HA SER 35 -7.721 -5.679 -1.477 264 HG SER 35 HG SER 35 -7.125 -6.691 -3.416 265 HB2 SER 35 2HB SER 35 -5.052 -7.064 -1.749 266 HB3 SER 35 1HB SER 35 -6.510 -7.793 -1.094 267 H LYS 36 H LYS 36 -8.154 -5.676 0.626 268 HA LYS 36 HA LYS 36 -6.121 -4.859 2.557 269 HB2 LYS 36 2HB LYS 36 -9.066 -5.451 2.897 270 HB3 LYS 36 1HB LYS 36 -7.995 -4.925 4.191 271 HG2 LYS 36 2HG LYS 36 -7.631 -2.846 3.117 272 HG3 LYS 36 1HG LYS 36 -8.539 -3.348 1.701 273 HD2 LYS 36 2HD LYS 36 -10.531 -3.624 3.229 274 HD3 LYS 36 1HD LYS 36 -9.560 -2.832 4.479 275 HE2 LYS 36 2HE LYS 36 -9.244 -0.912 3.007 276 HE3 LYS 36 1HE LYS 36 -10.214 -1.740 1.782 277 HZ1 LYS 36 3HZ LYS 36 -11.536 -0.145 2.915 278 HZ2 LYS 36 1HZ LYS 36 -11.165 -0.801 4.434 279 HZ3 LYS 36 2HZ LYS 36 -12.076 -1.685 3.336 280 H GLU 37 H GLU 37 -7.262 -7.648 1.198 281 HA GLU 37 HA GLU 37 -6.390 -9.204 3.503 282 HB2 GLU 37 2HB GLU 37 -8.791 -9.536 2.979 283 HB3 GLU 37 1HB GLU 37 -8.343 -10.051 1.357 284 HG2 GLU 37 2HG GLU 37 -8.787 -11.971 2.762 285 HG3 GLU 37 1HG GLU 37 -7.089 -11.921 2.291 286 H THR 38 H THR 38 -4.518 -10.068 3.153 287 HA THR 38 HA THR 38 -3.791 -10.808 0.420 288 HB THR 38 HB THR 38 -1.444 -10.723 1.477 289 HG1 THR 38 1HG THR 38 -2.409 -8.847 3.289 290 HG21 THR 38 3HG2 THR 38 -1.293 -8.279 1.130 291 HG22 THR 38 1HG2 THR 38 -3.051 -8.166 1.177 292 HG23 THR 38 2HG2 THR 38 -2.257 -9.035 -0.137 293 H GLY 39 H GLY 39 -5.007 -12.002 3.161 294 HA2 GLY 39 2HA GLY 39 -5.288 -14.313 3.564 295 HA3 GLY 39 1HA GLY 39 -3.707 -14.607 2.840 296 H GLU 40 H GLU 40 -3.430 -11.894 4.604 297 HA GLU 40 HA GLU 40 -2.972 -13.122 7.173 298 HB2 GLU 40 2HB GLU 40 -0.865 -13.398 5.868 299 HB3 GLU 40 1HB GLU 40 -0.802 -11.655 5.675 300 HG2 GLU 40 2HG GLU 40 -0.635 -11.387 8.101 301 HG3 GLU 40 1HG GLU 40 -0.687 -13.140 8.291 302 H ALA 41 H ALA 41 -3.524 -11.690 8.691 303 HA ALA 41 HA ALA 41 -4.370 -9.062 7.953 304 HB1 ALA 41 1HB ALA 41 -4.090 -10.345 10.679 305 HB2 ALA 41 2HB ALA 41 -5.552 -10.318 9.694 306 HB3 ALA 41 3HB ALA 41 -4.899 -8.813 10.349 307 H GLY 42 H GLY 42 -2.862 -7.605 7.472 308 HA2 GLY 42 2HA GLY 42 -1.228 -6.239 8.993 309 HA3 GLY 42 1HA GLY 42 -0.273 -7.706 8.794 310 H TRP 43 H TRP 43 -1.295 -8.158 6.108 311 HA TRP 43 HA TRP 43 0.375 -6.155 4.785 312 HD1 TRP 43 HD TRP 43 0.875 -10.081 5.990 313 HE1 TRP 43 1HE TRP 43 3.358 -10.407 6.518 314 HE3 TRP 43 3HE TRP 43 2.825 -6.675 2.732 315 HZ2 TRP 43 2HZ TRP 43 5.833 -9.337 5.669 316 HZ3 TRP 43 3HZ TRP 43 5.262 -6.385 2.644 317 HH2 TRP 43 HH TRP 43 6.735 -7.677 4.070 318 HB2 TRP 43 2HB TRP 43 -0.349 -8.954 3.915 319 HB3 TRP 43 1HB TRP 43 0.562 -7.812 2.946 320 H TRP 44 H TRP 44 -0.483 -4.855 3.398 321 HA TRP 44 HA TRP 44 -3.104 -5.468 2.261 322 HD1 TRP 44 HD TRP 44 -4.078 -5.348 4.248 323 HE1 TRP 44 1HE TRP 44 -6.006 -4.388 5.644 324 HE3 TRP 44 3HE TRP 44 -3.688 -0.437 2.898 325 HZ2 TRP 44 2HZ TRP 44 -7.207 -1.891 6.117 326 HZ3 TRP 44 3HZ TRP 44 -5.277 1.174 3.865 327 HH2 TRP 44 HH TRP 44 -7.006 0.453 5.436 328 HB2 TRP 44 2HB TRP 44 -1.832 -2.871 3.081 329 HB3 TRP 44 1HB TRP 44 -2.956 -2.885 1.733 330 H LYS 45 H LYS 45 -3.315 -5.019 0.043 331 HA LYS 45 HA LYS 45 -0.704 -4.947 -1.259 332 HB2 LYS 45 2HB LYS 45 -1.905 -7.059 -1.689 333 HB3 LYS 45 1HB LYS 45 -3.279 -6.148 -2.308 334 HG2 LYS 45 2HG LYS 45 -2.054 -5.386 -4.180 335 HG3 LYS 45 1HG LYS 45 -0.539 -5.984 -3.515 336 HD2 LYS 45 2HD LYS 45 -1.341 -8.280 -3.751 337 HD3 LYS 45 1HD LYS 45 -2.875 -7.673 -4.390 338 HE2 LYS 45 2HE LYS 45 -1.768 -6.685 -6.269 339 HE3 LYS 45 1HE LYS 45 -0.192 -7.101 -5.614 340 HZ1 LYS 45 3HZ LYS 45 -0.539 -9.350 -6.074 341 HZ2 LYS 45 1HZ LYS 45 -1.074 -8.506 -7.418 342 HZ3 LYS 45 2HZ LYS 45 -2.208 -9.162 -6.348 343 H GLY 46 H GLY 46 -0.276 -3.369 -2.566 344 HA2 GLY 46 2HA GLY 46 -2.449 -1.559 -3.278 345 HA3 GLY 46 1HA GLY 46 -0.986 -0.946 -2.519 346 H GLU 47 H GLU 47 -1.957 -0.181 -4.966 347 HA GLU 47 HA GLU 47 0.070 -1.238 -6.790 348 HB2 GLU 47 2HB GLU 47 -2.268 -1.683 -7.426 349 HB3 GLU 47 1HB GLU 47 -2.604 0.034 -7.361 350 HG2 GLU 47 2HG GLU 47 -1.044 0.382 -9.230 351 HG3 GLU 47 1HG GLU 47 -0.736 -1.349 -9.252 352 H LEU 48 H LEU 48 1.524 0.163 -7.446 353 HA LEU 48 HA LEU 48 1.093 2.961 -7.653 354 HG LEU 48 HG LEU 48 3.814 4.047 -6.592 355 HB2 LEU 48 2HB LEU 48 1.467 2.746 -5.207 356 HB3 LEU 48 1HB LEU 48 2.997 1.959 -5.523 357 HD11 LEU 48 1HD1 LEU 48 2.574 6.124 -6.214 358 HD12 LEU 48 2HD1 LEU 48 1.216 5.185 -5.592 359 HD13 LEU 48 3HD1 LEU 48 1.714 5.011 -7.274 360 HD21 LEU 48 3HD2 LEU 48 4.103 5.290 -4.532 361 HD22 LEU 48 1HD2 LEU 48 4.302 3.558 -4.262 362 HD23 LEU 48 2HD2 LEU 48 2.801 4.361 -3.787 363 H ASN 49 H ASN 49 2.763 3.907 -8.848 364 HA ASN 49 HA ASN 49 4.585 4.143 -10.177 365 HB2 ASN 49 2HB ASN 49 5.638 1.570 -8.937 366 HB3 ASN 49 1HB ASN 49 6.568 2.675 -9.936 367 HD21 ASN 49 1HD2 ASN 49 6.990 1.749 -7.194 368 HD22 ASN 49 2HD2 ASN 49 7.069 3.142 -6.193 369 H GLY 50 H GLY 50 2.383 1.893 -10.419 370 HA2 GLY 50 2HA GLY 50 1.513 1.257 -12.552 371 HA3 GLY 50 1HA GLY 50 3.172 1.110 -13.128 372 H LYS 51 H LYS 51 3.083 -0.054 -10.034 373 HA LYS 51 HA LYS 51 2.809 -2.820 -11.001 374 HB2 LYS 51 2HB LYS 51 4.713 -1.849 -8.888 375 HB3 LYS 51 1HB LYS 51 4.670 -3.455 -9.580 376 HG2 LYS 51 2HG LYS 51 5.529 -0.887 -10.880 377 HG3 LYS 51 1HG LYS 51 6.542 -2.256 -10.404 378 HD2 LYS 51 2HD LYS 51 4.331 -2.671 -12.349 379 HD3 LYS 51 1HD LYS 51 5.773 -1.848 -12.892 380 HE2 LYS 51 2HE LYS 51 5.951 -4.240 -13.404 381 HE3 LYS 51 1HE LYS 51 7.102 -3.853 -12.143 382 HZ1 LYS 51 3HZ LYS 51 5.817 -5.961 -11.850 383 HZ2 LYS 51 1HZ LYS 51 4.434 -5.077 -11.630 384 HZ3 LYS 51 2HZ LYS 51 5.684 -4.967 -10.505 385 H GLU 52 H GLU 52 2.574 -4.261 -9.139 386 HA GLU 52 HA GLU 52 1.096 -3.037 -6.945 387 HB2 GLU 52 2HB GLU 52 -0.483 -4.979 -7.021 388 HB3 GLU 52 1HB GLU 52 -0.613 -3.889 -8.391 389 HG2 GLU 52 2HG GLU 52 0.677 -5.439 -9.762 390 HG3 GLU 52 1HG GLU 52 0.836 -6.524 -8.382 391 H GLY 53 H GLY 53 1.383 -3.986 -4.978 392 HA2 GLY 53 2HA GLY 53 2.745 -6.479 -4.717 393 HA3 GLY 53 1HA GLY 53 3.774 -5.098 -4.345 394 H VAL 54 H VAL 54 3.684 -6.317 -2.239 395 HA VAL 54 HA VAL 54 1.293 -5.491 -0.763 396 HB VAL 54 HB VAL 54 1.772 -7.341 0.844 397 HG11 VAL 54 1HG1 VAL 54 1.004 -9.178 -0.591 398 HG12 VAL 54 2HG1 VAL 54 1.387 -8.212 -2.016 399 HG13 VAL 54 3HG1 VAL 54 0.126 -7.682 -0.900 400 HG21 VAL 54 3HG2 VAL 54 3.311 -9.142 0.193 401 HG22 VAL 54 1HG2 VAL 54 4.167 -7.618 0.419 402 HG23 VAL 54 2HG2 VAL 54 3.824 -8.204 -1.208 403 H PHE 55 H PHE 55 1.539 -4.784 1.351 404 HA PHE 55 HA PHE 55 4.165 -4.178 2.360 405 HD1 PHE 55 1HD PHE 55 1.442 -2.438 -0.289 406 HD2 PHE 55 2HD PHE 55 1.900 -0.737 3.588 407 HE1 PHE 55 1HE PHE 55 -0.753 -1.355 -0.502 408 HE2 PHE 55 2HE PHE 55 -0.291 0.345 3.376 409 HZ PHE 55 HZ PHE 55 -1.624 0.041 1.330 410 HB2 PHE 55 2HB PHE 55 3.776 -1.754 2.495 411 HB3 PHE 55 1HB PHE 55 3.663 -2.315 0.831 412 HA PRO 56 HA PRO 56 1.703 -4.641 6.094 413 HB2 PRO 56 2HB PRO 56 3.624 -2.882 7.483 414 HB3 PRO 56 1HB PRO 56 3.262 -4.585 7.780 415 HG2 PRO 56 2HG PRO 56 5.600 -3.829 6.692 416 HG3 PRO 56 1HG PRO 56 4.785 -5.326 6.213 417 HD2 PRO 56 2HD PRO 56 4.825 -2.670 4.819 418 HD3 PRO 56 1HD PRO 56 5.027 -4.307 4.148 419 H ASP 57 H ASP 57 -0.016 -3.517 6.768 420 HA ASP 57 HA ASP 57 -0.627 -0.980 5.662 421 HB2 ASP 57 2HB ASP 57 -2.736 -1.076 6.877 422 HB3 ASP 57 1HB ASP 57 -2.372 -2.649 6.185 423 H ASN 58 H ASN 58 1.135 -1.713 8.332 424 HA ASN 58 HA ASN 58 0.654 0.335 10.188 425 HB2 ASN 58 2HB ASN 58 3.286 -0.990 9.504 426 HB3 ASN 58 1HB ASN 58 2.903 -0.143 10.998 427 HD21 ASN 58 1HD2 ASN 58 1.764 -1.206 12.565 428 HD22 ASN 58 2HD2 ASN 58 1.345 -2.879 12.463 429 H PHE 59 H PHE 59 2.417 0.313 7.147 430 HA PHE 59 HA PHE 59 3.848 2.772 7.777 431 HD1 PHE 59 2HD PHE 59 4.402 -0.982 6.776 432 HD2 PHE 59 1HD PHE 59 6.799 2.509 7.017 433 HE1 PHE 59 2HE PHE 59 6.120 -2.247 7.987 434 HE2 PHE 59 1HE PHE 59 8.514 1.274 8.211 435 HZ PHE 59 HZ PHE 59 8.188 -1.125 8.716 436 HB2 PHE 59 2HB PHE 59 3.970 0.964 5.367 437 HB3 PHE 59 1HB PHE 59 4.923 2.429 5.550 438 H ALA 60 H ALA 60 0.821 2.317 6.824 439 HA ALA 60 HA ALA 60 0.820 4.745 5.213 440 HB1 ALA 60 1HB ALA 60 -0.679 2.227 4.492 441 HB2 ALA 60 2HB ALA 60 0.731 2.855 3.642 442 HB3 ALA 60 3HB ALA 60 -0.779 3.771 3.644 443 H VAL 61 H VAL 61 -1.456 5.533 4.987 444 HA VAL 61 HA VAL 61 -3.238 4.665 7.108 445 HB VAL 61 HB VAL 61 -1.977 6.685 7.933 446 HG11 VAL 61 1HG1 VAL 61 -3.317 8.135 5.670 447 HG12 VAL 61 2HG1 VAL 61 -1.587 7.851 5.862 448 HG13 VAL 61 3HG1 VAL 61 -2.441 8.902 6.993 449 HG21 VAL 61 3HG2 VAL 61 -3.938 7.953 8.691 450 HG22 VAL 61 1HG2 VAL 61 -4.190 6.214 8.810 451 HG23 VAL 61 2HG2 VAL 61 -4.930 7.120 7.492 452 H GLN 62 H GLN 62 -5.360 4.689 6.452 453 HA GLN 62 HA GLN 62 -5.693 5.019 3.624 454 HB2 GLN 62 2HB GLN 62 -6.667 3.047 4.575 455 HB3 GLN 62 1HB GLN 62 -7.583 3.995 5.735 456 HG2 GLN 62 2HG GLN 62 -8.983 4.878 4.030 457 HG3 GLN 62 1HG GLN 62 -7.958 4.212 2.766 458 HE21 GLN 62 1HE2 GLN 62 -9.730 3.244 1.916 459 HE22 GLN 62 2HE2 GLN 62 -10.421 1.800 2.521 460 H ILE 63 H ILE 63 -6.607 6.594 2.573 461 HA ILE 63 HA ILE 63 -7.429 8.968 4.042 462 HB ILE 63 HB ILE 63 -7.361 8.531 1.039 463 HG12 ILE 63 2HG1 ILE 63 -5.149 8.056 1.876 464 HG13 ILE 63 1HG1 ILE 63 -5.139 9.584 1.013 465 HG21 ILE 63 1HG2 ILE 63 -8.645 10.466 1.733 466 HG22 ILE 63 2HG2 ILE 63 -7.172 10.970 0.905 467 HG23 ILE 63 3HG2 ILE 63 -7.272 11.069 2.664 468 HD11 ILE 63 3HD1 ILE 63 -5.177 9.261 4.017 469 HD12 ILE 63 1HD1 ILE 63 -5.155 10.791 3.146 470 HD13 ILE 63 2HD1 ILE 63 -3.771 9.702 3.052 471 H SER 64 H SER 64 -8.648 7.078 1.268 472 HA SER 64 HA SER 64 -11.193 6.720 2.368 473 HG SER 64 HG SER 64 -10.852 9.194 2.306 474 HB2 SER 64 2HB SER 64 -10.719 8.434 -0.088 475 HB3 SER 64 1HB SER 64 -12.268 7.757 0.412 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -10.911 -13.067 5.129 2 H2 GLY 1 2HT GLY 1 -11.213 -11.795 6.224 3 H3 GLY 1 3HT GLY 1 -9.801 -11.796 5.273 4 HA2 GLY 1 1HA GLY 1 -11.025 -11.497 3.305 5 HA3 GLY 1 2HA GLY 1 -12.530 -11.567 4.228 6 H ALA 2 H ALA 2 -11.559 -9.419 2.575 7 HA ALA 2 HA ALA 2 -12.112 -7.281 4.311 8 HB1 ALA 2 1HB ALA 2 -10.021 -6.043 4.036 9 HB2 ALA 2 2HB ALA 2 -9.305 -7.414 3.189 10 HB3 ALA 2 3HB ALA 2 -9.733 -7.556 4.896 11 H MET 3 H MET 3 -11.445 -5.168 2.861 12 HA MET 3 HA MET 3 -12.702 -5.782 0.299 13 HB2 MET 3 2HB MET 3 -12.555 -3.163 1.787 14 HB3 MET 3 1HB MET 3 -13.331 -3.391 0.229 15 HG2 MET 3 2HG MET 3 -14.131 -4.684 2.819 16 HG3 MET 3 1HG MET 3 -14.953 -3.343 2.024 17 HE1 MET 3 3HE MET 3 -16.366 -5.993 3.049 18 HE2 MET 3 1HE MET 3 -17.464 -6.326 1.706 19 HE3 MET 3 2HE MET 3 -17.227 -4.670 2.263 20 H GLY 4 H GLY 4 -12.194 -3.901 -1.292 21 HA2 GLY 4 2HA GLY 4 -9.625 -2.752 -1.372 22 HA3 GLY 4 1HA GLY 4 -9.715 -4.180 -2.416 23 H ALA 5 H ALA 5 -11.948 -1.670 -1.502 24 HA ALA 5 HA ALA 5 -13.180 -1.820 -4.144 25 HB1 ALA 5 1HB ALA 5 -15.006 -0.557 -3.135 26 HB2 ALA 5 2HB ALA 5 -14.066 -0.365 -1.657 27 HB3 ALA 5 3HB ALA 5 -14.592 -1.970 -2.164 28 H LYS 6 H LYS 6 -10.840 -0.721 -4.548 29 HA LYS 6 HA LYS 6 -9.661 1.052 -5.352 30 HB2 LYS 6 2HB LYS 6 -12.410 2.203 -5.939 31 HB3 LYS 6 1HB LYS 6 -10.904 2.688 -6.706 32 HG2 LYS 6 2HG LYS 6 -10.680 0.484 -7.711 33 HG3 LYS 6 1HG LYS 6 -12.153 -0.050 -6.903 34 HD2 LYS 6 2HD LYS 6 -13.378 1.751 -8.115 35 HD3 LYS 6 1HD LYS 6 -11.898 2.084 -9.014 36 HE2 LYS 6 2HE LYS 6 -13.363 0.634 -10.310 37 HE3 LYS 6 1HE LYS 6 -11.894 -0.225 -9.848 38 HZ1 LYS 6 3HZ LYS 6 -14.529 -0.462 -8.488 39 HZ2 LYS 6 1HZ LYS 6 -13.143 -1.321 -8.086 40 HZ3 LYS 6 2HZ LYS 6 -13.893 -1.584 -9.564 41 H GLU 7 H GLU 7 -9.409 1.133 -2.998 42 HA GLU 7 HA GLU 7 -10.390 3.550 -1.704 43 HB2 GLU 7 2HB GLU 7 -9.074 1.032 -0.620 44 HB3 GLU 7 1HB GLU 7 -9.674 2.368 0.359 45 HG2 GLU 7 2HG GLU 7 -11.944 1.920 -0.311 46 HG3 GLU 7 1HG GLU 7 -11.409 0.716 -1.473 47 H TYR 8 H TYR 8 -8.710 4.914 -0.695 48 HA TYR 8 HA TYR 8 -6.079 4.321 -1.848 49 HD1 TYR 8 2HD TYR 8 -5.472 5.609 -4.521 50 HD2 TYR 8 1HD TYR 8 -9.297 6.623 -2.991 51 HE1 TYR 8 2HE TYR 8 -6.443 5.331 -6.770 52 HE2 TYR 8 1HE TYR 8 -10.274 6.362 -5.232 53 HH TYR 8 HH TYR 8 -8.620 4.884 -7.810 54 HB2 TYR 8 2HB TYR 8 -7.219 7.120 -1.687 55 HB3 TYR 8 1HB TYR 8 -5.683 6.636 -2.344 56 H CYS 9 H CYS 9 -4.332 4.872 -0.731 57 HA CYS 9 HA CYS 9 -4.767 5.782 2.000 58 HG CYS 9 HG CYS 9 -3.317 3.177 -0.571 59 HB2 CYS 9 2HB CYS 9 -2.921 4.151 2.639 60 HB3 CYS 9 1HB CYS 9 -4.471 3.438 2.222 61 H ARG 10 H ARG 10 -2.962 6.807 2.959 62 HA ARG 10 HA ARG 10 -1.155 8.040 0.994 63 HE ARG 10 HE ARG 10 -0.146 12.894 2.295 64 HB2 ARG 10 2HB ARG 10 -2.936 9.503 1.977 65 HB3 ARG 10 1HB ARG 10 -2.263 9.189 3.565 66 HG2 ARG 10 2HG ARG 10 -0.229 10.360 2.957 67 HG3 ARG 10 1HG ARG 10 -0.826 10.596 1.311 68 HD2 ARG 10 2HD ARG 10 -2.778 11.818 2.253 69 HD3 ARG 10 1HD ARG 10 -2.057 11.680 3.849 70 HH11 ARG 10 1HH1 ARG 10 -3.505 13.630 3.135 71 HH12 ARG 10 2HH1 ARG 10 -3.314 15.323 3.054 72 HH21 ARG 10 1HH2 ARG 10 0.121 15.197 2.177 73 HH22 ARG 10 2HH2 ARG 10 -1.184 16.238 2.536 74 H THR 11 H THR 11 0.965 7.884 1.480 75 HA THR 11 HA THR 11 1.888 5.970 3.300 76 HB THR 11 HB THR 11 4.125 6.972 2.750 77 HG1 THR 11 1HG THR 11 2.718 9.060 2.276 78 HG21 THR 11 3HG2 THR 11 4.035 6.284 0.409 79 HG22 THR 11 1HG2 THR 11 2.275 6.428 0.415 80 HG23 THR 11 2HG2 THR 11 3.063 5.193 1.394 81 H LEU 12 H LEU 12 2.979 6.158 5.279 82 HA LEU 12 HA LEU 12 2.909 8.835 6.502 83 HG LEU 12 HG LEU 12 0.646 6.678 7.002 84 HB2 LEU 12 2HB LEU 12 2.897 6.123 7.835 85 HB3 LEU 12 1HB LEU 12 2.958 7.651 8.678 86 HD11 LEU 12 1HD1 LEU 12 1.011 6.838 9.994 87 HD12 LEU 12 2HD1 LEU 12 0.929 5.362 9.037 88 HD13 LEU 12 3HD1 LEU 12 -0.486 6.405 9.175 89 HD21 LEU 12 3HD2 LEU 12 0.956 9.084 8.794 90 HD22 LEU 12 1HD2 LEU 12 -0.545 8.570 8.024 91 HD23 LEU 12 2HD2 LEU 12 0.814 9.099 7.036 92 H PHE 13 H PHE 13 4.836 6.226 5.413 93 HA PHE 13 HA PHE 13 7.268 7.499 6.335 94 HD1 PHE 13 2HD PHE 13 8.568 6.986 8.942 95 HD2 PHE 13 1HD PHE 13 4.912 4.855 8.570 96 HE1 PHE 13 2HE PHE 13 7.993 7.569 11.259 97 HE2 PHE 13 1HE PHE 13 4.333 5.425 10.866 98 HZ PHE 13 HZ PHE 13 5.859 6.783 12.223 99 HB2 PHE 13 2HB PHE 13 6.581 4.618 6.955 100 HB3 PHE 13 1HB PHE 13 8.179 5.314 7.140 101 HA PRO 14 HA PRO 14 8.495 5.576 2.417 102 HB2 PRO 14 2HB PRO 14 11.248 5.571 3.468 103 HB3 PRO 14 1HB PRO 14 10.613 6.429 2.064 104 HG2 PRO 14 2HG PRO 14 11.346 7.733 4.294 105 HG3 PRO 14 1HG PRO 14 9.963 8.264 3.318 106 HD2 PRO 14 2HD PRO 14 9.983 6.698 5.873 107 HD3 PRO 14 1HD PRO 14 8.937 8.045 5.373 108 H TYR 15 H TYR 15 8.908 3.454 1.846 109 HA TYR 15 HA TYR 15 9.894 1.655 3.906 110 HD1 TYR 15 1HD TYR 15 8.812 -0.114 5.466 111 HD2 TYR 15 2HD TYR 15 7.416 -1.087 1.570 112 HE1 TYR 15 1HE TYR 15 8.984 -2.498 6.009 113 HE2 TYR 15 2HE TYR 15 7.590 -3.478 2.097 114 HH TYR 15 HH TYR 15 8.689 -4.965 3.632 115 HB2 TYR 15 2HB TYR 15 7.443 1.508 3.978 116 HB3 TYR 15 1HB TYR 15 7.414 1.146 2.256 117 H THR 16 H THR 16 11.346 0.322 3.149 118 HA THR 16 HA THR 16 11.983 0.471 0.325 119 HB THR 16 HB THR 16 13.555 -0.827 2.554 120 HG1 THR 16 1HG THR 16 12.887 1.510 2.681 121 HG21 THR 16 3HG2 THR 16 15.466 -0.383 1.060 122 HG22 THR 16 1HG2 THR 16 14.377 0.343 -0.123 123 HG23 THR 16 2HG2 THR 16 14.262 -1.377 0.242 124 H GLY 17 H GLY 17 11.099 -1.117 -0.968 125 HA2 GLY 17 2HA GLY 17 10.512 -3.683 0.189 126 HA3 GLY 17 1HA GLY 17 10.110 -3.194 -1.451 127 H THR 18 H THR 18 11.910 -5.212 0.188 128 HA THR 18 HA THR 18 14.299 -4.938 -1.508 129 HB THR 18 HB THR 18 15.391 -6.418 0.210 130 HG1 THR 18 1HG THR 18 12.997 -5.859 1.679 131 HG21 THR 18 3HG2 THR 18 15.663 -3.985 0.277 132 HG22 THR 18 1HG2 THR 18 15.590 -4.649 1.913 133 HG23 THR 18 2HG2 THR 18 14.177 -3.849 1.218 134 H ASN 19 H ASN 19 11.511 -6.552 -1.108 135 HA ASN 19 HA ASN 19 12.473 -8.978 -2.460 136 HB2 ASN 19 2HB ASN 19 9.856 -8.480 -0.994 137 HB3 ASN 19 1HB ASN 19 10.317 -9.990 -1.765 138 HD21 ASN 19 1HD2 ASN 19 10.937 -7.831 0.927 139 HD22 ASN 19 2HD2 ASN 19 11.787 -8.979 1.883 140 H GLU 20 H GLU 20 11.293 -9.602 -4.367 141 HA GLU 20 HA GLU 20 10.678 -7.351 -5.980 142 HB2 GLU 20 2HB GLU 20 10.306 -10.280 -6.547 143 HB3 GLU 20 1HB GLU 20 10.207 -8.994 -7.739 144 HG2 GLU 20 2HG GLU 20 12.532 -8.404 -7.307 145 HG3 GLU 20 1HG GLU 20 12.635 -9.690 -6.114 146 H ASP 21 H ASP 21 8.753 -9.410 -4.071 147 HA ASP 21 HA ASP 21 6.282 -8.624 -5.414 148 HB2 ASP 21 2HB ASP 21 6.581 -10.981 -4.797 149 HB3 ASP 21 1HB ASP 21 6.810 -10.528 -3.118 150 H GLU 22 H GLU 22 8.288 -7.311 -3.271 151 HA GLU 22 HA GLU 22 6.288 -6.207 -1.440 152 HB2 GLU 22 2HB GLU 22 8.230 -7.403 -0.486 153 HB3 GLU 22 1HB GLU 22 9.301 -6.310 -1.332 154 HG2 GLU 22 2HG GLU 22 8.474 -4.473 0.033 155 HG3 GLU 22 1HG GLU 22 7.414 -5.607 0.887 156 H LEU 23 H LEU 23 5.759 -4.142 -1.728 157 HA LEU 23 HA LEU 23 6.974 -2.635 -3.885 158 HG LEU 23 HG LEU 23 4.670 -1.819 -5.291 159 HB2 LEU 23 2HB LEU 23 4.478 -2.501 -2.351 160 HB3 LEU 23 1HB LEU 23 5.056 -0.960 -2.991 161 HD11 LEU 23 1HD1 LEU 23 5.742 -3.822 -5.159 162 HD12 LEU 23 2HD1 LEU 23 4.068 -4.074 -5.676 163 HD13 LEU 23 3HD1 LEU 23 4.573 -4.417 -3.999 164 HD21 LEU 23 3HD2 LEU 23 2.533 -2.859 -3.471 165 HD22 LEU 23 1HD2 LEU 23 2.388 -2.435 -5.175 166 HD23 LEU 23 2HD2 LEU 23 2.684 -1.176 -3.975 167 H THR 24 H THR 24 8.165 -0.922 -3.822 168 HA THR 24 HA THR 24 9.142 0.089 -1.280 169 HB THR 24 HB THR 24 10.036 0.646 -4.127 170 HG1 THR 24 1HG THR 24 10.931 -1.229 -3.994 171 HG21 THR 24 3HG2 THR 24 10.718 2.391 -2.534 172 HG22 THR 24 1HG2 THR 24 12.112 1.452 -3.067 173 HG23 THR 24 2HG2 THR 24 11.406 1.168 -1.474 174 H PHE 25 H PHE 25 8.289 1.949 -0.516 175 HA PHE 25 HA PHE 25 7.412 3.912 -2.430 176 HD1 PHE 25 1HD PHE 25 5.290 0.902 -0.748 177 HD2 PHE 25 2HD PHE 25 5.491 4.553 1.414 178 HE1 PHE 25 1HE PHE 25 4.600 -0.268 1.267 179 HE2 PHE 25 2HE PHE 25 4.796 3.382 3.463 180 HZ PHE 25 HZ PHE 25 4.343 0.949 3.387 181 HB2 PHE 25 2HB PHE 25 5.437 4.519 -0.985 182 HB3 PHE 25 1HB PHE 25 5.303 3.025 -1.887 183 H ARG 26 H ARG 26 7.129 6.018 -1.549 184 HA ARG 26 HA ARG 26 9.083 6.529 0.570 185 HE ARG 26 HE ARG 26 10.189 7.247 -3.507 186 HB2 ARG 26 2HB ARG 26 9.598 8.625 -0.646 187 HB3 ARG 26 1HB ARG 26 9.954 7.198 -1.602 188 HG2 ARG 26 2HG ARG 26 7.786 7.513 -2.765 189 HG3 ARG 26 1HG ARG 26 7.585 9.025 -1.876 190 HD2 ARG 26 2HD ARG 26 8.491 9.443 -4.082 191 HD3 ARG 26 1HD ARG 26 9.676 9.846 -2.840 192 HH11 ARG 26 1HH1 ARG 26 10.140 10.305 -5.320 193 HH12 ARG 26 2HH1 ARG 26 11.355 9.808 -6.399 194 HH21 ARG 26 1HH2 ARG 26 11.810 6.608 -4.981 195 HH22 ARG 26 2HH2 ARG 26 12.338 7.653 -6.218 196 H GLU 27 H GLU 27 8.624 8.907 1.412 197 HA GLU 27 HA GLU 27 5.887 8.852 2.328 198 HB2 GLU 27 2HB GLU 27 7.810 9.528 3.815 199 HB3 GLU 27 1HB GLU 27 8.009 10.963 2.814 200 HG2 GLU 27 2HG GLU 27 5.630 11.552 3.386 201 HG3 GLU 27 1HG GLU 27 5.672 10.253 4.568 202 H GLY 28 H GLY 28 4.305 10.302 1.746 203 HA2 GLY 28 2HA GLY 28 3.540 12.319 0.720 204 HA3 GLY 28 1HA GLY 28 5.016 12.356 -0.227 205 H GLU 29 H GLU 29 3.626 9.279 -0.078 206 HA GLU 29 HA GLU 29 2.660 9.682 -2.810 207 HB2 GLU 29 2HB GLU 29 3.739 7.223 -1.460 208 HB3 GLU 29 1HB GLU 29 2.919 7.184 -3.011 209 HG2 GLU 29 2HG GLU 29 5.418 8.741 -2.406 210 HG3 GLU 29 1HG GLU 29 5.359 7.176 -3.223 211 H ILE 30 H ILE 30 0.766 8.895 -3.482 212 HA ILE 30 HA ILE 30 -1.154 8.013 -1.454 213 HB ILE 30 HB ILE 30 -1.587 9.002 -4.305 214 HG12 ILE 30 2HG1 ILE 30 -0.889 10.831 -2.815 215 HG13 ILE 30 1HG1 ILE 30 -2.561 11.028 -3.319 216 HG21 ILE 30 1HG2 ILE 30 -3.311 7.415 -3.675 217 HG22 ILE 30 2HG2 ILE 30 -3.988 9.040 -3.762 218 HG23 ILE 30 3HG2 ILE 30 -3.632 8.317 -2.195 219 HD11 ILE 30 3HD1 ILE 30 -3.305 10.183 -1.145 220 HD12 ILE 30 1HD1 ILE 30 -2.265 11.599 -0.972 221 HD13 ILE 30 2HD1 ILE 30 -1.623 9.988 -0.648 222 H ILE 31 H ILE 31 -1.783 5.931 -1.551 223 HA ILE 31 HA ILE 31 -0.757 4.338 -3.800 224 HB ILE 31 HB ILE 31 -1.172 3.427 -0.926 225 HG12 ILE 31 2HG1 ILE 31 1.422 3.907 -2.417 226 HG13 ILE 31 1HG1 ILE 31 0.768 4.951 -1.160 227 HG21 ILE 31 1HG2 ILE 31 -0.036 1.355 -1.630 228 HG22 ILE 31 2HG2 ILE 31 0.023 1.957 -3.286 229 HG23 ILE 31 3HG2 ILE 31 -1.533 1.622 -2.532 230 HD11 ILE 31 3HD1 ILE 31 1.002 3.130 0.455 231 HD12 ILE 31 1HD1 ILE 31 2.545 3.523 -0.305 232 HD13 ILE 31 2HD1 ILE 31 1.648 2.090 -0.813 233 H HIS 32 H HIS 32 -2.169 3.061 -4.795 234 HA HIS 32 HA HIS 32 -4.969 3.368 -4.108 235 HD1 HIS 32 1HD HIS 32 -4.971 1.377 -8.478 236 HD2 HIS 32 2HD HIS 32 -7.189 2.567 -5.167 237 HE1 HIS 32 1HE HIS 32 -7.323 0.583 -8.876 238 HB2 HIS 32 2HB HIS 32 -4.312 3.767 -6.427 239 HB3 HIS 32 1HB HIS 32 -3.529 2.202 -6.515 240 H LEU 33 H LEU 33 -5.923 1.871 -2.935 241 HA LEU 33 HA LEU 33 -4.488 -0.503 -2.192 242 HG LEU 33 HG LEU 33 -5.263 -1.223 0.207 243 HB2 LEU 33 2HB LEU 33 -5.776 1.080 -0.663 244 HB3 LEU 33 1HB LEU 33 -7.231 0.445 -1.377 245 HD11 LEU 33 1HD1 LEU 33 -7.859 0.063 1.037 246 HD12 LEU 33 2HD1 LEU 33 -6.248 0.546 1.567 247 HD13 LEU 33 3HD1 LEU 33 -6.886 -1.034 2.015 248 HD21 LEU 33 3HD2 LEU 33 -8.135 -1.743 -0.507 249 HD22 LEU 33 1HD2 LEU 33 -7.029 -2.847 0.307 250 HD23 LEU 33 2HD2 LEU 33 -6.771 -2.436 -1.392 251 H ILE 34 H ILE 34 -4.782 -2.394 -3.116 252 HA ILE 34 HA ILE 34 -6.911 -2.691 -5.094 253 HB ILE 34 HB ILE 34 -4.337 -4.238 -4.668 254 HG12 ILE 34 2HG1 ILE 34 -3.978 -2.022 -5.628 255 HG13 ILE 34 1HG1 ILE 34 -3.634 -3.275 -6.815 256 HG21 ILE 34 1HG2 ILE 34 -6.413 -4.653 -6.808 257 HG22 ILE 34 2HG2 ILE 34 -5.984 -5.786 -5.521 258 HG23 ILE 34 3HG2 ILE 34 -4.810 -5.383 -6.783 259 HD11 ILE 34 3HD1 ILE 34 -5.832 -2.852 -7.849 260 HD12 ILE 34 1HD1 ILE 34 -4.800 -1.422 -7.843 261 HD13 ILE 34 2HD1 ILE 34 -6.114 -1.565 -6.680 262 H SER 35 H SER 35 -5.383 -4.411 -2.375 263 HA SER 35 HA SER 35 -7.933 -5.598 -1.685 264 HG SER 35 HG SER 35 -7.753 -6.645 -3.746 265 HB2 SER 35 2HB SER 35 -5.512 -7.337 -2.263 266 HB3 SER 35 1HB SER 35 -7.092 -7.883 -1.711 267 H LYS 36 H LYS 36 -8.038 -5.342 0.510 268 HA LYS 36 HA LYS 36 -5.683 -4.899 2.086 269 HB2 LYS 36 2HB LYS 36 -8.545 -5.436 2.837 270 HB3 LYS 36 1HB LYS 36 -7.291 -5.135 4.030 271 HG2 LYS 36 2HG LYS 36 -6.999 -2.915 3.192 272 HG3 LYS 36 1HG LYS 36 -8.142 -3.179 1.889 273 HD2 LYS 36 2HD LYS 36 -9.882 -3.638 3.603 274 HD3 LYS 36 1HD LYS 36 -8.711 -3.182 4.845 275 HE2 LYS 36 2HE LYS 36 -8.479 -0.987 3.739 276 HE3 LYS 36 1HE LYS 36 -9.731 -1.483 2.600 277 HZ1 LYS 36 3HZ LYS 36 -10.142 -1.249 5.540 278 HZ2 LYS 36 1HZ LYS 36 -11.321 -1.565 4.377 279 HZ3 LYS 36 2HZ LYS 36 -10.541 -0.070 4.423 280 H GLU 37 H GLU 37 -7.501 -7.660 1.110 281 HA GLU 37 HA GLU 37 -6.426 -9.276 3.239 282 HB2 GLU 37 2HB GLU 37 -8.803 -9.543 2.578 283 HB3 GLU 37 1HB GLU 37 -8.278 -10.051 0.980 284 HG2 GLU 37 2HG GLU 37 -8.875 -11.943 2.434 285 HG3 GLU 37 1HG GLU 37 -7.194 -11.997 1.904 286 H THR 38 H THR 38 -4.599 -10.251 3.015 287 HA THR 38 HA THR 38 -3.690 -11.018 0.335 288 HB THR 38 HB THR 38 -1.365 -10.798 1.334 289 HG1 THR 38 1HG THR 38 -2.289 -8.962 3.200 290 HG21 THR 38 3HG2 THR 38 -1.289 -8.350 1.033 291 HG22 THR 38 1HG2 THR 38 -3.049 -8.293 1.121 292 HG23 THR 38 2HG2 THR 38 -2.258 -9.127 -0.218 293 H GLY 39 H GLY 39 -4.882 -12.124 3.139 294 HA2 GLY 39 2HA GLY 39 -5.050 -14.468 3.554 295 HA3 GLY 39 1HA GLY 39 -3.421 -14.673 2.914 296 H GLU 40 H GLU 40 -3.112 -11.984 4.570 297 HA GLU 40 HA GLU 40 -2.902 -13.103 7.233 298 HB2 GLU 40 2HB GLU 40 -0.703 -13.506 6.038 299 HB3 GLU 40 1HB GLU 40 -0.577 -11.778 5.832 300 HG2 GLU 40 2HG GLU 40 0.760 -12.603 7.721 301 HG3 GLU 40 1HG GLU 40 -0.460 -11.420 8.199 302 H ALA 41 H ALA 41 -3.482 -11.586 8.655 303 HA ALA 41 HA ALA 41 -4.291 -9.008 7.773 304 HB1 ALA 41 1HB ALA 41 -5.426 -10.149 9.620 305 HB2 ALA 41 2HB ALA 41 -4.780 -8.598 10.155 306 HB3 ALA 41 3HB ALA 41 -3.946 -10.094 10.577 307 H GLY 42 H GLY 42 -3.090 -7.206 7.639 308 HA2 GLY 42 2HA GLY 42 -1.431 -5.843 8.895 309 HA3 GLY 42 1HA GLY 42 -0.408 -7.276 8.850 310 H TRP 43 H TRP 43 -1.074 -8.075 6.197 311 HA TRP 43 HA TRP 43 0.490 -6.070 4.776 312 HD1 TRP 43 HD TRP 43 1.290 -9.573 6.505 313 HE1 TRP 43 1HE TRP 43 3.808 -9.623 7.002 314 HE3 TRP 43 3HE TRP 43 2.957 -6.805 2.547 315 HZ2 TRP 43 2HZ TRP 43 6.195 -8.616 5.868 316 HZ3 TRP 43 3HZ TRP 43 5.371 -6.394 2.324 317 HH2 TRP 43 HH TRP 43 6.958 -7.285 3.952 318 HB2 TRP 43 2HB TRP 43 -0.031 -8.986 4.211 319 HB3 TRP 43 1HB TRP 43 0.778 -7.914 3.079 320 H TRP 44 H TRP 44 -0.365 -4.891 3.299 321 HA TRP 44 HA TRP 44 -2.991 -5.597 2.223 322 HD1 TRP 44 HD TRP 44 -3.827 -5.368 4.245 323 HE1 TRP 44 1HE TRP 44 -5.560 -4.290 5.789 324 HE3 TRP 44 3HE TRP 44 -3.344 -0.513 2.724 325 HZ2 TRP 44 2HZ TRP 44 -6.587 -1.717 6.312 326 HZ3 TRP 44 3HZ TRP 44 -4.747 1.194 3.801 327 HH2 TRP 44 HH TRP 44 -6.341 0.593 5.551 328 HB2 TRP 44 2HB TRP 44 -1.652 -2.950 2.724 329 HB3 TRP 44 1HB TRP 44 -2.932 -3.103 1.529 330 H LYS 45 H LYS 45 -3.303 -5.244 -0.005 331 HA LYS 45 HA LYS 45 -0.810 -5.342 -1.548 332 HB2 LYS 45 2HB LYS 45 -2.309 -7.397 -1.434 333 HB3 LYS 45 1HB LYS 45 -3.554 -6.444 -2.202 334 HG2 LYS 45 2HG LYS 45 -2.265 -6.324 -4.240 335 HG3 LYS 45 1HG LYS 45 -0.896 -7.133 -3.457 336 HD2 LYS 45 2HD LYS 45 -2.377 -9.072 -2.981 337 HD3 LYS 45 1HD LYS 45 -3.651 -8.288 -3.901 338 HE2 LYS 45 2HE LYS 45 -0.966 -9.113 -5.006 339 HE3 LYS 45 1HE LYS 45 -2.445 -10.046 -5.162 340 HZ1 LYS 45 3HZ LYS 45 -1.731 -7.495 -6.485 341 HZ2 LYS 45 1HZ LYS 45 -3.359 -7.982 -6.308 342 HZ3 LYS 45 2HZ LYS 45 -2.253 -8.936 -7.099 343 H GLY 46 H GLY 46 -0.609 -3.729 -2.995 344 HA2 GLY 46 2HA GLY 46 -2.927 -2.155 -3.721 345 HA3 GLY 46 1HA GLY 46 -1.706 -1.331 -2.771 346 H GLU 47 H GLU 47 -2.168 -0.235 -4.990 347 HA GLU 47 HA GLU 47 -0.198 -1.146 -6.961 348 HB2 GLU 47 2HB GLU 47 -2.480 -1.230 -7.759 349 HB3 GLU 47 1HB GLU 47 -2.763 0.410 -7.227 350 HG2 GLU 47 2HG GLU 47 -1.083 1.172 -8.901 351 HG3 GLU 47 1HG GLU 47 -0.977 -0.492 -9.456 352 H LEU 48 H LEU 48 1.427 0.203 -7.317 353 HA LEU 48 HA LEU 48 1.182 3.049 -6.999 354 HG LEU 48 HG LEU 48 3.970 3.788 -6.088 355 HB2 LEU 48 2HB LEU 48 1.791 2.219 -4.721 356 HB3 LEU 48 1HB LEU 48 3.235 1.509 -5.402 357 HD11 LEU 48 1HD1 LEU 48 2.903 5.714 -5.025 358 HD12 LEU 48 2HD1 LEU 48 1.611 4.669 -4.437 359 HD13 LEU 48 3HD1 LEU 48 1.840 4.906 -6.169 360 HD21 LEU 48 3HD2 LEU 48 4.822 2.745 -4.080 361 HD22 LEU 48 1HD2 LEU 48 3.447 3.354 -3.160 362 HD23 LEU 48 2HD2 LEU 48 4.622 4.481 -3.842 363 H ASN 49 H ASN 49 2.485 4.041 -8.440 364 HA ASN 49 HA ASN 49 3.929 4.440 -10.121 365 HB2 ASN 49 2HB ASN 49 5.520 2.167 -8.899 366 HB3 ASN 49 1HB ASN 49 6.086 3.114 -10.266 367 HD21 ASN 49 1HD2 ASN 49 5.658 2.971 -6.887 368 HD22 ASN 49 2HD2 ASN 49 6.352 4.504 -6.506 369 H GLY 50 H GLY 50 1.774 2.327 -10.291 370 HA2 GLY 50 2HA GLY 50 0.918 1.269 -12.170 371 HA3 GLY 50 1HA GLY 50 2.482 1.436 -12.959 372 H LYS 51 H LYS 51 2.902 0.216 -9.877 373 HA LYS 51 HA LYS 51 2.888 -2.543 -10.864 374 HB2 LYS 51 2HB LYS 51 4.678 -1.260 -8.776 375 HB3 LYS 51 1HB LYS 51 4.559 -2.986 -9.011 376 HG2 LYS 51 2HG LYS 51 6.547 -2.291 -10.054 377 HG3 LYS 51 1HG LYS 51 5.404 -2.612 -11.353 378 HD2 LYS 51 2HD LYS 51 4.991 -0.221 -11.584 379 HD3 LYS 51 1HD LYS 51 6.074 0.107 -10.231 380 HE2 LYS 51 2HE LYS 51 6.867 -1.208 -12.824 381 HE3 LYS 51 1HE LYS 51 7.160 0.479 -12.404 382 HZ1 LYS 51 3HZ LYS 51 9.085 -0.917 -12.043 383 HZ2 LYS 51 1HZ LYS 51 8.266 -1.870 -10.947 384 HZ3 LYS 51 2HZ LYS 51 8.594 -0.237 -10.599 385 H GLU 52 H GLU 52 2.222 -4.123 -9.261 386 HA GLU 52 HA GLU 52 1.142 -2.949 -6.902 387 HB2 GLU 52 2HB GLU 52 -0.964 -4.351 -7.048 388 HB3 GLU 52 1HB GLU 52 -0.909 -3.017 -8.164 389 HG2 GLU 52 2HG GLU 52 -1.840 -4.786 -9.364 390 HG3 GLU 52 1HG GLU 52 -0.162 -4.739 -9.896 391 H GLY 53 H GLY 53 1.153 -4.096 -5.124 392 HA2 GLY 53 2HA GLY 53 2.190 -6.804 -5.064 393 HA3 GLY 53 1HA GLY 53 3.324 -5.611 -4.667 394 H VAL 54 H VAL 54 3.452 -6.482 -2.566 395 HA VAL 54 HA VAL 54 1.146 -5.708 -0.941 396 HB VAL 54 HB VAL 54 1.807 -7.424 0.724 397 HG11 VAL 54 1HG1 VAL 54 0.984 -9.368 -0.513 398 HG12 VAL 54 2HG1 VAL 54 1.235 -8.498 -2.026 399 HG13 VAL 54 3HG1 VAL 54 0.046 -7.916 -0.861 400 HG21 VAL 54 3HG2 VAL 54 3.723 -8.357 -1.416 401 HG22 VAL 54 1HG2 VAL 54 3.347 -9.222 0.074 402 HG23 VAL 54 2HG2 VAL 54 4.168 -7.661 0.142 403 H PHE 55 H PHE 55 1.511 -4.943 1.125 404 HA PHE 55 HA PHE 55 4.143 -4.200 1.960 405 HD1 PHE 55 1HD PHE 55 1.351 -2.598 -0.733 406 HD2 PHE 55 2HD PHE 55 1.897 -0.731 3.056 407 HE1 PHE 55 1HE PHE 55 -0.834 -1.503 -0.959 408 HE2 PHE 55 2HE PHE 55 -0.294 0.362 2.837 409 HZ PHE 55 HZ PHE 55 -1.663 -0.022 0.824 410 HB2 PHE 55 2HB PHE 55 3.740 -1.796 1.956 411 HB3 PHE 55 1HB PHE 55 3.570 -2.460 0.317 412 HA PRO 56 HA PRO 56 1.789 -4.463 5.796 413 HB2 PRO 56 2HB PRO 56 3.803 -2.818 7.145 414 HB3 PRO 56 1HB PRO 56 3.455 -4.531 7.372 415 HG2 PRO 56 2HG PRO 56 5.750 -3.665 6.219 416 HG3 PRO 56 1HG PRO 56 4.969 -5.191 5.772 417 HD2 PRO 56 2HD PRO 56 4.887 -2.543 4.368 418 HD3 PRO 56 1HD PRO 56 5.084 -4.180 3.697 419 H ASP 57 H ASP 57 0.184 -3.212 6.649 420 HA ASP 57 HA ASP 57 -0.255 -0.603 5.555 421 HB2 ASP 57 2HB ASP 57 -2.364 -0.576 6.639 422 HB3 ASP 57 1HB ASP 57 -2.078 -2.261 6.233 423 H ASN 58 H ASN 58 1.613 -1.525 8.067 424 HA ASN 58 HA ASN 58 1.177 0.377 10.100 425 HB2 ASN 58 2HB ASN 58 3.801 -0.908 9.315 426 HB3 ASN 58 1HB ASN 58 3.451 -0.128 10.851 427 HD21 ASN 58 1HD2 ASN 58 2.195 -1.208 12.357 428 HD22 ASN 58 2HD2 ASN 58 1.817 -2.878 12.226 429 H PHE 59 H PHE 59 2.581 0.754 6.979 430 HA PHE 59 HA PHE 59 3.991 3.173 7.836 431 HD1 PHE 59 2HD PHE 59 6.878 2.812 7.716 432 HD2 PHE 59 1HD PHE 59 4.745 -0.608 6.339 433 HE1 PHE 59 2HE PHE 59 8.394 1.360 8.977 434 HE2 PHE 59 1HE PHE 59 6.265 -2.062 7.605 435 HZ PHE 59 HZ PHE 59 8.086 -1.079 8.921 436 HB2 PHE 59 2HB PHE 59 4.364 1.521 5.346 437 HB3 PHE 59 1HB PHE 59 5.317 2.935 5.790 438 H ALA 60 H ALA 60 1.018 2.618 6.809 439 HA ALA 60 HA ALA 60 0.881 5.101 5.321 440 HB1 ALA 60 1HB ALA 60 -0.229 2.510 4.220 441 HB2 ALA 60 2HB ALA 60 1.148 3.401 3.566 442 HB3 ALA 60 3HB ALA 60 -0.462 4.117 3.525 443 H VAL 61 H VAL 61 -1.411 5.795 5.113 444 HA VAL 61 HA VAL 61 -3.179 4.428 6.991 445 HB VAL 61 HB VAL 61 -2.263 6.453 8.122 446 HG11 VAL 61 1HG1 VAL 61 -2.887 8.705 7.389 447 HG12 VAL 61 2HG1 VAL 61 -3.589 8.026 5.921 448 HG13 VAL 61 3HG1 VAL 61 -1.858 7.888 6.213 449 HG21 VAL 61 3HG2 VAL 61 -5.200 6.637 7.464 450 HG22 VAL 61 1HG2 VAL 61 -4.408 7.438 8.821 451 HG23 VAL 61 2HG2 VAL 61 -4.467 5.678 8.751 452 H GLN 62 H GLN 62 -5.235 4.208 6.273 453 HA GLN 62 HA GLN 62 -5.651 4.774 3.490 454 HB2 GLN 62 2HB GLN 62 -6.465 2.692 4.720 455 HB3 GLN 62 1HB GLN 62 -7.714 3.716 5.414 456 HG2 GLN 62 2HG GLN 62 -8.467 4.282 3.124 457 HG3 GLN 62 1HG GLN 62 -7.278 3.150 2.490 458 HE21 GLN 62 1HE2 GLN 62 -10.101 3.095 2.138 459 HE22 GLN 62 2HE2 GLN 62 -10.654 1.602 2.736 460 H ILE 63 H ILE 63 -6.831 6.389 2.643 461 HA ILE 63 HA ILE 63 -7.761 8.457 4.463 462 HB ILE 63 HB ILE 63 -7.823 8.411 1.421 463 HG12 ILE 63 2HG1 ILE 63 -5.533 8.158 2.164 464 HG13 ILE 63 1HG1 ILE 63 -5.766 9.761 1.486 465 HG21 ILE 63 1HG2 ILE 63 -7.990 10.852 1.596 466 HG22 ILE 63 2HG2 ILE 63 -7.992 10.723 3.356 467 HG23 ILE 63 3HG2 ILE 63 -9.329 10.052 2.426 468 HD11 ILE 63 3HD1 ILE 63 -5.623 9.070 4.426 469 HD12 ILE 63 1HD1 ILE 63 -5.938 10.678 3.773 470 HD13 ILE 63 2HD1 ILE 63 -4.388 9.897 3.479 471 H SER 64 H SER 64 -9.076 7.008 1.492 472 HA SER 64 HA SER 64 -11.349 6.047 2.822 473 HG SER 64 HG SER 64 -11.451 8.344 3.206 474 HB2 SER 64 2HB SER 64 -11.502 8.082 0.573 475 HB3 SER 64 1HB SER 64 -12.844 7.186 1.279
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