NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612841 | 2nct | 26035 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 17.182 7.129 -0.801 2 HA LYS 1 HA LYS 1 17.664 6.100 -3.167 3 HB2 LYS 1 1HB LYS 1 16.018 8.540 -3.584 4 HB3 LYS 1 2HB LYS 1 17.353 8.276 -4.698 5 HG2 LYS 1 1HG LYS 1 15.283 6.176 -4.127 6 HG3 LYS 1 2HG LYS 1 15.101 7.382 -5.404 7 HD2 LYS 1 1HD LYS 1 17.371 6.595 -6.249 8 HD3 LYS 1 2HD LYS 1 17.183 5.224 -5.153 9 HE2 LYS 1 1HE LYS 1 15.124 4.586 -6.271 10 HE3 LYS 1 2HE LYS 1 15.236 5.995 -7.325 11 HZ1 LYS 1 3HZ LYS 1 16.517 3.453 -7.557 12 HZ2 LYS 1 1HZ LYS 1 17.633 4.723 -7.632 13 HZ3 LYS 1 2HZ LYS 1 16.333 4.674 -8.713 14 H LYS 2 H LYS 2 17.860 9.598 -2.498 15 HA LYS 2 HA LYS 2 20.658 9.671 -3.076 16 HB2 LYS 2 1HB LYS 2 19.058 11.791 -1.643 17 HB3 LYS 2 2HB LYS 2 20.540 12.004 -2.565 18 HG2 LYS 2 1HG LYS 2 17.923 11.116 -3.757 19 HG3 LYS 2 2HG LYS 2 18.489 12.787 -3.725 20 HD2 LYS 2 1HD LYS 2 20.641 11.691 -4.815 21 HD3 LYS 2 2HD LYS 2 19.468 10.471 -5.316 22 HE2 LYS 2 1HE LYS 2 18.406 13.098 -5.768 23 HE3 LYS 2 2HE LYS 2 19.996 12.959 -6.516 24 HZ1 LYS 2 3HZ LYS 2 17.720 11.097 -6.939 25 HZ2 LYS 2 1HZ LYS 2 19.246 10.969 -7.659 26 HZ3 LYS 2 2HZ LYS 2 18.243 12.279 -8.030 27 H LYS 3 H LYS 3 21.873 11.188 -1.241 28 HA LYS 3 HA LYS 3 22.985 11.146 0.742 29 HB2 LYS 3 1HB LYS 3 20.288 10.959 1.399 30 HB3 LYS 3 2HB LYS 3 21.040 9.660 2.315 31 HG2 LYS 3 1HG LYS 3 21.206 11.383 3.803 32 HG3 LYS 3 2HG LYS 3 22.755 11.527 2.970 33 HD2 LYS 3 1HD LYS 3 22.203 13.497 2.023 34 HD3 LYS 3 2HD LYS 3 20.534 13.004 1.732 35 HE2 LYS 3 1HE LYS 3 20.084 14.508 3.348 36 HE3 LYS 3 2HE LYS 3 20.524 13.182 4.423 37 HZ1 LYS 3 3HZ LYS 3 22.694 14.061 4.679 38 HZ2 LYS 3 1HZ LYS 3 21.623 15.350 4.912 39 HZ3 LYS 3 2HZ LYS 3 22.464 15.203 3.452 40 H LYS 4 H LYS 4 23.809 9.608 2.500 41 HA LYS 4 HA LYS 4 24.972 7.370 1.274 42 HB2 LYS 4 1HB LYS 4 24.911 8.539 3.978 43 HB3 LYS 4 2HB LYS 4 25.220 6.809 3.932 44 HG2 LYS 4 1HG LYS 4 27.023 7.341 2.215 45 HG3 LYS 4 2HG LYS 4 26.828 9.025 2.707 46 HD2 LYS 4 1HD LYS 4 28.268 8.613 4.356 47 HD3 LYS 4 2HD LYS 4 27.026 7.600 5.094 48 HE2 LYS 4 1HE LYS 4 27.905 5.641 4.115 49 HE3 LYS 4 2HE LYS 4 28.920 6.559 3.004 50 HZ1 LYS 4 3HZ LYS 4 29.360 5.896 5.805 51 HZ2 LYS 4 1HZ LYS 4 29.869 7.431 5.308 52 HZ3 LYS 4 2HZ LYS 4 30.474 6.050 4.541 53 H ASP 5 H ASP 5 24.853 5.150 2.568 54 HA ASP 5 HA ASP 5 23.666 3.222 2.808 55 HB2 ASP 5 1HB ASP 5 21.690 5.118 4.095 56 HB3 ASP 5 2HB ASP 5 21.640 3.363 4.231 57 H LYS 6 H LYS 6 23.331 2.801 0.619 58 HA LYS 6 HA LYS 6 21.005 3.859 -0.730 59 HB2 LYS 6 1HB LYS 6 23.462 2.807 -1.545 60 HB3 LYS 6 2HB LYS 6 22.274 1.617 -2.063 61 HG2 LYS 6 1HG LYS 6 22.174 4.556 -2.713 62 HG3 LYS 6 2HG LYS 6 22.767 3.291 -3.792 63 HD2 LYS 6 1HD LYS 6 19.978 3.406 -2.646 64 HD3 LYS 6 2HD LYS 6 20.425 3.967 -4.258 65 HE2 LYS 6 1HE LYS 6 21.424 1.318 -3.870 66 HE3 LYS 6 2HE LYS 6 19.712 1.357 -3.450 67 HZ1 LYS 6 3HZ LYS 6 19.973 0.868 -5.775 68 HZ2 LYS 6 1HZ LYS 6 20.915 2.253 -6.013 69 HZ3 LYS 6 2HZ LYS 6 19.279 2.402 -5.613 70 H TRP 7 H TRP 7 21.889 0.994 1.015 71 HA TRP 7 HA TRP 7 19.696 -0.592 0.028 72 HB2 TRP 7 2HB TRP 7 20.403 -2.198 1.801 73 HB3 TRP 7 3HB TRP 7 21.711 -1.734 0.715 74 HD1 TRP 7 1HD TRP 7 20.516 -1.275 4.329 75 HE1 TRP 7 1HE TRP 7 22.496 -0.438 5.745 76 HE3 TRP 7 3HE TRP 7 23.910 -0.480 0.589 77 HZ2 TRP 7 2HZ TRP 7 25.146 0.442 5.331 78 HZ3 TRP 7 3HZ TRP 7 26.144 0.361 1.183 79 HH2 TRP 7 2HH TRP 7 26.748 0.813 3.506 80 H ALA 8 H ALA 8 20.360 1.427 2.820 81 HA ALA 8 HA ALA 8 18.273 0.663 4.495 82 HB1 ALA 8 3HB ALA 8 19.271 3.486 4.186 83 HB2 ALA 8 1HB ALA 8 18.567 2.736 5.619 84 HB3 ALA 8 2HB ALA 8 20.157 2.228 5.047 85 H SER 9 H SER 9 18.304 3.015 1.846 86 HA SER 9 HA SER 9 15.663 3.945 2.218 87 HB2 SER 9 1HB SER 9 16.719 3.933 -0.545 88 HB3 SER 9 2HB SER 9 16.070 5.265 0.410 89 HG SER 9 HG SER 9 18.284 5.557 0.079 90 H LEU 10 H LEU 10 17.030 1.316 0.306 91 HA LEU 10 HA LEU 10 14.600 0.651 -1.023 92 HB2 LEU 10 1HB LEU 10 17.029 0.070 -1.661 93 HB3 LEU 10 2HB LEU 10 16.846 -1.273 -0.534 94 HG LEU 10 HG LEU 10 14.828 -0.945 -2.702 95 HD11 LEU 10 1HD1 LEU 10 17.022 -0.664 -3.802 96 HD12 LEU 10 2HD1 LEU 10 16.197 -2.148 -4.278 97 HD13 LEU 10 3HD1 LEU 10 17.530 -2.212 -3.126 98 HD21 LEU 10 3HD2 LEU 10 15.356 -3.552 -2.549 99 HD22 LEU 10 1HD2 LEU 10 14.230 -2.746 -1.456 100 HD23 LEU 10 2HD2 LEU 10 15.882 -3.076 -0.933 101 H TRP 11 H TRP 11 16.090 -0.284 1.996 102 HA TRP 11 HA TRP 11 14.553 -2.584 2.525 103 HB2 TRP 11 2HB TRP 11 16.617 -1.982 3.757 104 HB3 TRP 11 3HB TRP 11 15.756 -0.643 4.511 105 HD1 TRP 11 1HD TRP 11 16.354 -4.341 4.830 106 HE1 TRP 11 1HE TRP 11 15.100 -5.243 6.889 107 HE3 TRP 11 3HE TRP 11 13.498 -0.239 5.903 108 HZ2 TRP 11 2HZ TRP 11 13.157 -4.336 8.725 109 HZ3 TRP 11 3HZ TRP 11 11.967 -0.338 7.827 110 HH2 TRP 11 2HH TRP 11 11.801 -2.346 9.207 111 H ASN 12 H ASN 12 13.972 0.839 3.095 112 HA ASN 12 HA ASN 12 11.622 0.442 4.674 113 HB2 ASN 12 1HB ASN 12 13.057 2.498 4.752 114 HB3 ASN 12 2HB ASN 12 12.441 2.927 3.158 115 HD21 ASN 12 2HD2 ASN 12 11.969 3.163 6.466 116 HD22 ASN 12 1HD2 ASN 12 10.368 3.812 6.452 117 H TRP 13 H TRP 13 12.296 0.910 1.265 118 HA TRP 13 HA TRP 13 9.724 1.511 0.359 119 HB2 TRP 13 2HB TRP 13 11.868 1.593 -0.977 120 HB3 TRP 13 3HB TRP 13 11.750 -0.157 -1.137 121 HD1 TRP 13 1HD TRP 13 9.958 3.065 -2.235 122 HE1 TRP 13 1HE TRP 13 8.536 2.532 -4.314 123 HE3 TRP 13 3HE TRP 13 10.603 -2.005 -2.384 124 HZ2 TRP 13 2HZ TRP 13 7.787 0.264 -5.817 125 HZ3 TRP 13 3HZ TRP 13 9.499 -3.282 -4.173 126 HH2 TRP 13 2HH TRP 13 8.120 -2.170 -5.853 127 H PHE 14 H PHE 14 11.038 -1.428 1.564 128 HA PHE 14 HA PHE 14 9.545 -3.379 0.313 129 HB2 PHE 14 2HB PHE 14 11.350 -3.685 2.072 130 HB3 PHE 14 3HB PHE 14 10.107 -3.367 3.278 131 HD1 PHE 14 2HD PHE 14 10.688 -5.545 0.305 132 HD2 PHE 14 1HD PHE 14 9.026 -5.164 4.205 133 HE1 PHE 14 2HE PHE 14 10.045 -7.919 0.258 134 HE2 PHE 14 1HE PHE 14 8.380 -7.538 4.165 135 HZ PHE 14 HZ PHE 14 8.889 -8.918 2.189 136 H ASP 15 H ASP 15 8.669 -1.721 3.348 137 HA ASP 15 HA ASP 15 6.115 -2.798 3.607 138 HB2 ASP 15 1HB ASP 15 7.348 -1.498 5.357 139 HB3 ASP 15 2HB ASP 15 6.965 -0.027 4.467 140 H ILE 16 H ILE 16 7.228 0.018 1.806 141 HA ILE 16 HA ILE 16 4.657 0.999 1.124 142 HB ILE 16 HB ILE 16 7.365 1.422 -0.128 143 HG12 ILE 16 1HG1 ILE 16 6.816 3.790 0.784 144 HG13 ILE 16 2HG1 ILE 16 5.597 2.966 1.751 145 HG21 ILE 16 1HG2 ILE 16 5.937 3.456 -1.122 146 HG22 ILE 16 2HG2 ILE 16 6.168 1.933 -1.979 147 HG23 ILE 16 3HG2 ILE 16 4.681 2.219 -1.074 148 HD11 ILE 16 3HD1 ILE 16 7.807 3.381 2.868 149 HD12 ILE 16 1HD1 ILE 16 7.229 1.715 2.905 150 HD13 ILE 16 2HD1 ILE 16 8.494 2.184 1.770 151 H THR 17 H THR 17 6.726 -1.456 -0.216 152 HA THR 17 HA THR 17 5.767 -1.670 -2.805 153 HB THR 17 HB THR 17 6.298 -4.173 -1.257 154 HG1 THR 17 1HG THR 17 8.600 -3.631 -1.584 155 HG21 THR 17 3HG2 THR 17 7.755 -4.480 -3.386 156 HG22 THR 17 1HG2 THR 17 6.807 -3.137 -4.022 157 HG23 THR 17 2HG2 THR 17 6.002 -4.623 -3.517 158 H ASN 18 H ASN 18 4.524 -3.249 0.133 159 HA ASN 18 HA ASN 18 2.261 -4.338 -1.300 160 HB2 ASN 18 1HB ASN 18 3.616 -5.163 0.913 161 HB3 ASN 18 2HB ASN 18 2.219 -4.384 1.650 162 HD21 ASN 18 2HD2 ASN 18 0.118 -5.139 1.079 163 HD22 ASN 18 1HD2 ASN 18 -0.106 -6.765 0.540 164 H TRP 19 H TRP 19 2.991 -1.567 0.649 165 HA TRP 19 HA TRP 19 0.478 -0.841 1.577 166 HB2 TRP 19 2HB TRP 19 2.640 0.283 2.151 167 HB3 TRP 19 3HB TRP 19 2.603 1.061 0.571 168 HD1 TRP 19 1HD TRP 19 -0.234 0.703 3.201 169 HE1 TRP 19 1HE TRP 19 -1.147 3.058 3.699 170 HE3 TRP 19 3HE TRP 19 2.946 3.440 0.280 171 HZ2 TRP 19 2HZ TRP 19 -0.592 5.723 2.951 172 HZ3 TRP 19 3HZ TRP 19 2.687 5.886 0.226 173 HH2 TRP 19 2HH TRP 19 0.954 7.002 1.535 174 H LEU 20 H LEU 20 1.991 -0.166 -1.557 175 HA LEU 20 HA LEU 20 -0.027 1.471 -2.603 176 HB2 LEU 20 1HB LEU 20 2.273 -0.008 -3.620 177 HB3 LEU 20 2HB LEU 20 0.961 0.128 -4.789 178 HG LEU 20 HG LEU 20 1.126 2.691 -4.014 179 HD11 LEU 20 1HD1 LEU 20 3.007 2.126 -2.467 180 HD12 LEU 20 2HD1 LEU 20 3.379 3.373 -3.656 181 HD13 LEU 20 3HD1 LEU 20 3.976 1.730 -3.886 182 HD21 LEU 20 3HD2 LEU 20 2.805 1.297 -6.094 183 HD22 LEU 20 1HD2 LEU 20 2.551 3.040 -6.014 184 HD23 LEU 20 2HD2 LEU 20 1.184 1.963 -6.303 185 H TRP 21 H TRP 21 0.183 -1.978 -2.239 186 HA TRP 21 HA TRP 21 -1.996 -2.535 -4.047 187 HB2 TRP 21 2HB TRP 21 0.041 -4.044 -2.763 188 HB3 TRP 21 3HB TRP 21 -1.509 -4.713 -2.258 189 HD1 TRP 21 1HD TRP 21 0.885 -4.670 -5.129 190 HE1 TRP 21 1HE TRP 21 -0.080 -6.025 -7.094 191 HE3 TRP 21 3HE TRP 21 -3.904 -5.257 -3.437 192 HZ2 TRP 21 2HZ TRP 21 -2.545 -7.187 -7.830 193 HZ3 TRP 21 3HZ TRP 21 -5.503 -6.502 -4.832 194 HH2 TRP 21 2HH TRP 21 -4.836 -7.446 -6.983 195 H TYR 22 H TYR 22 -1.589 -1.845 -0.678 196 HA TYR 22 HA TYR 22 -4.162 -2.874 0.111 197 HB2 TYR 22 2HB TYR 22 -2.430 -2.898 1.769 198 HB3 TYR 22 3HB TYR 22 -2.107 -1.183 1.540 199 HD1 TYR 22 1HD TYR 22 -4.374 -3.644 3.036 200 HD2 TYR 22 2HD TYR 22 -3.547 0.498 2.528 201 HE1 TYR 22 1HE TYR 22 -5.957 -3.113 4.842 202 HE2 TYR 22 2HE TYR 22 -5.126 1.041 4.334 203 HH TYR 22 HH TYR 22 -6.602 -1.456 6.297 204 H ILE 23 H ILE 23 -2.754 0.285 -0.598 205 HA ILE 23 HA ILE 23 -4.946 1.864 0.170 206 HB ILE 23 HB ILE 23 -3.999 3.614 -1.256 207 HG12 ILE 23 1HG1 ILE 23 -2.011 1.523 -2.162 208 HG13 ILE 23 2HG1 ILE 23 -3.365 2.086 -3.135 209 HG21 ILE 23 1HG2 ILE 23 -2.545 3.993 0.376 210 HG22 ILE 23 2HG2 ILE 23 -2.734 2.318 0.895 211 HG23 ILE 23 3HG2 ILE 23 -1.465 2.748 -0.251 212 HD11 ILE 23 3HD1 ILE 23 -2.449 4.316 -3.180 213 HD12 ILE 23 1HD1 ILE 23 -1.135 3.825 -2.112 214 HD13 ILE 23 2HD1 ILE 23 -1.245 3.156 -3.740 215 H LYS 24 H LYS 24 -4.374 -0.082 -2.637 216 HA LYS 24 HA LYS 24 -6.350 1.168 -4.295 217 HB2 LYS 24 1HB LYS 24 -4.823 -1.422 -4.468 218 HB3 LYS 24 2HB LYS 24 -6.071 -1.002 -5.634 219 HG2 LYS 24 1HG LYS 24 -4.840 0.987 -6.274 220 HG3 LYS 24 2HG LYS 24 -3.608 0.633 -5.061 221 HD2 LYS 24 1HD LYS 24 -3.047 -1.439 -6.216 222 HD3 LYS 24 2HD LYS 24 -4.311 -1.130 -7.409 223 HE2 LYS 24 1HE LYS 24 -3.083 0.428 -8.499 224 HE3 LYS 24 2HE LYS 24 -2.336 1.028 -7.020 225 HZ1 LYS 24 3HZ LYS 24 -1.599 -1.639 -7.994 226 HZ2 LYS 24 1HZ LYS 24 -0.680 -0.523 -7.116 227 HZ3 LYS 24 2HZ LYS 24 -0.946 -0.285 -8.769 228 H LEU 25 H LEU 25 -6.222 -2.018 -2.689 229 HA LEU 25 HA LEU 25 -8.917 -2.665 -3.169 230 HB2 LEU 25 1HB LEU 25 -8.588 -4.333 -1.336 231 HB3 LEU 25 2HB LEU 25 -7.410 -4.413 -2.644 232 HG LEU 25 HG LEU 25 -6.058 -2.853 -0.931 233 HD11 LEU 25 1HD1 LEU 25 -8.238 -3.578 0.602 234 HD12 LEU 25 2HD1 LEU 25 -6.700 -2.953 1.196 235 HD13 LEU 25 3HD1 LEU 25 -6.972 -4.693 1.114 236 HD21 LEU 25 3HD2 LEU 25 -6.069 -5.810 -0.472 237 HD22 LEU 25 1HD2 LEU 25 -4.705 -4.693 -0.538 238 HD23 LEU 25 2HD2 LEU 25 -5.549 -5.144 -2.020 239 H PHE 26 H PHE 26 -7.317 -1.034 -0.485 240 HA PHE 26 HA PHE 26 -9.343 -1.001 1.389 241 HB2 PHE 26 2HB PHE 26 -7.176 -0.141 1.956 242 HB3 PHE 26 3HB PHE 26 -7.290 1.112 0.725 243 HD1 PHE 26 1HD PHE 26 -9.444 -0.057 3.544 244 HD2 PHE 26 2HD PHE 26 -7.533 3.210 1.597 245 HE1 PHE 26 1HE PHE 26 -10.391 1.486 5.211 246 HE2 PHE 26 2HE PHE 26 -8.476 4.758 3.261 247 HZ PHE 26 HZ PHE 26 -9.906 3.896 5.071 248 H ILE 27 H ILE 27 -8.681 1.608 -0.954 249 HA ILE 27 HA ILE 27 -11.000 3.077 -0.466 250 HB ILE 27 HB ILE 27 -9.462 2.875 -3.058 251 HG12 ILE 27 1HG1 ILE 27 -8.075 3.532 -1.120 252 HG13 ILE 27 2HG1 ILE 27 -8.258 4.847 -2.276 253 HG21 ILE 27 1HG2 ILE 27 -11.608 3.862 -3.464 254 HG22 ILE 27 2HG2 ILE 27 -11.437 4.921 -2.065 255 HG23 ILE 27 3HG2 ILE 27 -10.397 5.144 -3.472 256 HD11 ILE 27 3HD1 ILE 27 -8.826 4.833 0.493 257 HD12 ILE 27 1HD1 ILE 27 -8.991 6.156 -0.660 258 HD13 ILE 27 2HD1 ILE 27 -10.344 5.061 -0.374 259 H MET 28 H MET 28 -10.481 0.232 -2.406 260 HA MET 28 HA MET 28 -12.861 0.411 -3.950 261 HB2 MET 28 1HB MET 28 -10.886 -0.989 -4.550 262 HB3 MET 28 2HB MET 28 -11.292 -2.068 -3.222 263 HG2 MET 28 1HG MET 28 -13.640 -2.039 -4.517 264 HG3 MET 28 2HG MET 28 -12.545 -1.758 -5.868 265 HE1 MET 28 3HE MET 28 -13.064 -5.334 -3.192 266 HE2 MET 28 1HE MET 28 -13.894 -3.778 -3.215 267 HE3 MET 28 2HE MET 28 -14.295 -5.009 -4.413 268 H ILE 29 H ILE 29 -12.066 -0.982 -0.826 269 HA ILE 29 HA ILE 29 -14.585 -2.329 -0.527 270 HB ILE 29 HB ILE 29 -12.496 -1.663 1.551 271 HG12 ILE 29 1HG1 ILE 29 -12.819 -4.449 0.710 272 HG13 ILE 29 2HG1 ILE 29 -12.282 -3.391 -0.590 273 HG21 ILE 29 1HG2 ILE 29 -14.976 -3.350 1.630 274 HG22 ILE 29 2HG2 ILE 29 -13.633 -3.620 2.739 275 HG23 ILE 29 3HG2 ILE 29 -14.474 -2.071 2.735 276 HD11 ILE 29 3HD1 ILE 29 -10.234 -3.713 0.195 277 HD12 ILE 29 1HD1 ILE 29 -10.689 -2.657 1.531 278 HD13 ILE 29 2HD1 ILE 29 -10.834 -4.406 1.701 279 H VAL 30 H VAL 30 -13.194 0.732 0.527 280 HA VAL 30 HA VAL 30 -15.231 1.484 2.319 281 HB VAL 30 HB VAL 30 -13.458 3.279 0.656 282 HG11 VAL 30 1HG1 VAL 30 -13.916 4.665 2.901 283 HG12 VAL 30 2HG1 VAL 30 -14.922 4.809 1.459 284 HG13 VAL 30 3HG1 VAL 30 -15.436 3.778 2.795 285 HG21 VAL 30 3HG2 VAL 30 -12.943 1.589 2.974 286 HG22 VAL 30 1HG2 VAL 30 -11.814 2.377 1.872 287 HG23 VAL 30 2HG2 VAL 30 -12.492 3.275 3.230 288 H GLY 31 H GLY 31 -14.751 2.273 -1.122 289 HA2 GLY 31 1HA GLY 31 -17.024 3.872 -1.448 290 HA3 GLY 31 2HA GLY 31 -16.227 2.975 -2.732 291 H LYS 32 H LYS 32 -16.635 0.383 -2.036 292 HA LYS 32 HA LYS 32 -19.190 -0.158 -2.967 293 HB2 LYS 32 1HB LYS 32 -17.210 -1.819 -1.428 294 HB3 LYS 32 2HB LYS 32 -18.767 -2.475 -1.916 295 HG2 LYS 32 1HG LYS 32 -16.878 -1.229 -3.885 296 HG3 LYS 32 2HG LYS 32 -16.783 -2.932 -3.431 297 HD2 LYS 32 1HD LYS 32 -18.713 -3.468 -4.514 298 HD3 LYS 32 2HD LYS 32 -19.441 -1.887 -4.226 299 HE2 LYS 32 1HE LYS 32 -17.103 -1.745 -5.948 300 HE3 LYS 32 2HE LYS 32 -18.362 -2.790 -6.606 301 HZ1 LYS 32 3HZ LYS 32 -18.363 0.087 -6.204 302 HZ2 LYS 32 1HZ LYS 32 -19.813 -0.703 -5.835 303 HZ3 LYS 32 2HZ LYS 32 -19.144 -0.844 -7.382 304 H LYS 33 H LYS 33 -18.021 -0.504 0.386 305 HA LYS 33 HA LYS 33 -20.436 -1.163 1.573 306 HB2 LYS 33 1HB LYS 33 -18.123 0.422 2.701 307 HB3 LYS 33 2HB LYS 33 -19.445 -0.218 3.668 308 HG2 LYS 33 1HG LYS 33 -17.684 -1.954 1.962 309 HG3 LYS 33 2HG LYS 33 -17.326 -1.574 3.648 310 HD2 LYS 33 1HD LYS 33 -20.003 -2.382 3.618 311 HD3 LYS 33 2HD LYS 33 -19.162 -3.509 2.551 312 HE2 LYS 33 1HE LYS 33 -17.434 -3.699 4.433 313 HE3 LYS 33 2HE LYS 33 -18.648 -2.926 5.452 314 HZ1 LYS 33 3HZ LYS 33 -20.179 -4.770 4.598 315 HZ2 LYS 33 1HZ LYS 33 -19.015 -5.180 5.756 316 HZ3 LYS 33 2HZ LYS 33 -18.759 -5.561 4.128 317 H LYS 34 H LYS 34 -19.195 1.966 0.608 318 HA LYS 34 HA LYS 34 -20.908 3.647 2.015 319 HB2 LYS 34 1HB LYS 34 -18.906 4.116 0.346 320 HB3 LYS 34 2HB LYS 34 -20.214 4.307 -0.813 321 HG2 LYS 34 1HG LYS 34 -19.718 6.461 0.014 322 HG3 LYS 34 2HG LYS 34 -21.235 5.970 0.771 323 HD2 LYS 34 1HD LYS 34 -19.194 5.061 2.469 324 HD3 LYS 34 2HD LYS 34 -18.738 6.699 1.995 325 HE2 LYS 34 1HE LYS 34 -21.414 6.960 2.511 326 HE3 LYS 34 2HE LYS 34 -20.916 5.771 3.713 327 HZ1 LYS 34 3HZ LYS 34 -20.505 8.547 3.731 328 HZ2 LYS 34 1HZ LYS 34 -18.994 7.789 3.670 329 HZ3 LYS 34 2HZ LYS 34 -20.079 7.413 4.911 330 H LYS 35 H LYS 35 -21.497 1.652 -0.775 331 HA LYS 35 HA LYS 35 -23.377 1.163 -1.958 332 HB2 LYS 35 1HB LYS 35 -24.379 1.967 0.712 333 HB3 LYS 35 2HB LYS 35 -25.567 1.931 -0.584 334 HG2 LYS 35 1HG LYS 35 -23.756 -0.401 -0.105 335 HG3 LYS 35 2HG LYS 35 -25.223 -0.176 0.850 336 HD2 LYS 35 1HD LYS 35 -26.263 0.165 -1.582 337 HD3 LYS 35 2HD LYS 35 -24.901 -0.870 -2.016 338 HE2 LYS 35 1HE LYS 35 -26.263 -2.566 -1.486 339 HE3 LYS 35 2HE LYS 35 -25.906 -2.138 0.186 340 HZ1 LYS 35 3HZ LYS 35 -27.957 -0.469 -0.689 341 HZ2 LYS 35 1HZ LYS 35 -28.041 -1.700 0.469 342 HZ3 LYS 35 2HZ LYS 35 -28.372 -2.042 -1.153 343 H LYS 36 H LYS 36 -25.549 2.210 -2.769 344 HA LYS 36 HA LYS 36 -24.819 4.862 -3.744 345 HB2 LYS 36 1HB LYS 36 -26.742 2.746 -4.644 346 HB3 LYS 36 2HB LYS 36 -26.944 4.404 -5.194 347 HG2 LYS 36 1HG LYS 36 -24.437 4.205 -5.856 348 HG3 LYS 36 2HG LYS 36 -24.750 2.470 -5.776 349 HD2 LYS 36 1HD LYS 36 -25.766 2.512 -7.755 350 HD3 LYS 36 2HD LYS 36 -26.862 3.785 -7.211 351 HE2 LYS 36 1HE LYS 36 -25.387 5.488 -7.904 352 HE3 LYS 36 2HE LYS 36 -24.046 4.359 -8.090 353 HZ1 LYS 36 3HZ LYS 36 -25.559 5.222 -10.110 354 HZ2 LYS 36 1HZ LYS 36 -26.377 3.795 -9.715 355 HZ3 LYS 36 2HZ LYS 36 -24.736 3.744 -10.120 Start of MODEL 2 1 H1 LYS 1 H LYS 1 24.672 14.717 3.947 2 HA LYS 1 HA LYS 1 22.917 13.098 3.777 3 HB2 LYS 1 1HB LYS 1 21.806 15.852 4.323 4 HB3 LYS 1 2HB LYS 1 20.904 14.367 4.596 5 HG2 LYS 1 1HG LYS 1 23.250 13.895 5.933 6 HG3 LYS 1 2HG LYS 1 22.985 15.618 6.203 7 HD2 LYS 1 1HD LYS 1 20.732 15.147 7.026 8 HD3 LYS 1 2HD LYS 1 20.981 13.424 6.736 9 HE2 LYS 1 1HE LYS 1 23.130 13.957 8.266 10 HE3 LYS 1 2HE LYS 1 22.004 15.160 8.895 11 HZ1 LYS 1 3HZ LYS 1 22.053 12.821 9.936 12 HZ2 LYS 1 1HZ LYS 1 21.152 12.358 8.580 13 HZ3 LYS 1 2HZ LYS 1 20.555 13.543 9.628 14 H LYS 2 H LYS 2 22.693 12.297 1.698 15 HA LYS 2 HA LYS 2 20.304 12.994 0.338 16 HB2 LYS 2 1HB LYS 2 21.537 14.845 -0.551 17 HB3 LYS 2 2HB LYS 2 22.919 13.824 -0.921 18 HG2 LYS 2 1HG LYS 2 21.737 14.353 -2.946 19 HG3 LYS 2 2HG LYS 2 21.559 12.633 -2.594 20 HD2 LYS 2 1HD LYS 2 19.456 14.287 -1.421 21 HD3 LYS 2 2HD LYS 2 19.513 14.368 -3.183 22 HE2 LYS 2 1HE LYS 2 19.701 11.764 -2.991 23 HE3 LYS 2 2HE LYS 2 18.988 12.031 -1.402 24 HZ1 LYS 2 3HZ LYS 2 17.090 11.859 -2.575 25 HZ2 LYS 2 1HZ LYS 2 17.802 12.323 -4.039 26 HZ3 LYS 2 2HZ LYS 2 17.367 13.496 -2.901 27 H LYS 3 H LYS 3 23.480 11.778 -0.736 28 HA LYS 3 HA LYS 3 22.227 9.458 -1.923 29 HB2 LYS 3 1HB LYS 3 24.236 10.795 -2.849 30 HB3 LYS 3 2HB LYS 3 25.193 9.897 -1.678 31 HG2 LYS 3 1HG LYS 3 24.089 7.811 -2.756 32 HG3 LYS 3 2HG LYS 3 23.751 8.908 -4.098 33 HD2 LYS 3 1HD LYS 3 25.810 7.895 -4.624 34 HD3 LYS 3 2HD LYS 3 26.224 9.505 -4.028 35 HE2 LYS 3 1HE LYS 3 26.440 8.312 -1.732 36 HE3 LYS 3 2HE LYS 3 26.558 6.843 -2.698 37 HZ1 LYS 3 3HZ LYS 3 28.731 7.369 -2.676 38 HZ2 LYS 3 1HZ LYS 3 28.461 9.013 -2.385 39 HZ3 LYS 3 2HZ LYS 3 28.310 8.397 -3.952 40 H LYS 4 H LYS 4 24.101 10.238 0.922 41 HA LYS 4 HA LYS 4 24.957 7.719 1.709 42 HB2 LYS 4 1HB LYS 4 24.372 10.276 3.080 43 HB3 LYS 4 2HB LYS 4 24.404 8.847 4.103 44 HG2 LYS 4 1HG LYS 4 26.663 8.847 2.332 45 HG3 LYS 4 2HG LYS 4 26.577 10.368 3.225 46 HD2 LYS 4 1HD LYS 4 26.094 7.924 4.804 47 HD3 LYS 4 2HD LYS 4 27.732 8.118 4.177 48 HE2 LYS 4 1HE LYS 4 27.210 10.616 5.126 49 HE3 LYS 4 2HE LYS 4 26.313 9.615 6.267 50 HZ1 LYS 4 3HZ LYS 4 28.297 9.491 7.280 51 HZ2 LYS 4 1HZ LYS 4 29.174 9.875 5.885 52 HZ3 LYS 4 2HZ LYS 4 28.625 8.293 6.132 53 H ASP 5 H ASP 5 24.100 6.157 3.131 54 HA ASP 5 HA ASP 5 22.501 4.746 3.925 55 HB2 ASP 5 1HB ASP 5 20.684 7.140 4.168 56 HB3 ASP 5 2HB ASP 5 20.683 5.672 5.140 57 H LYS 6 H LYS 6 22.654 4.494 1.339 58 HA LYS 6 HA LYS 6 20.171 5.044 -0.017 59 HB2 LYS 6 1HB LYS 6 22.596 4.847 -0.996 60 HB3 LYS 6 2HB LYS 6 22.229 3.128 -1.052 61 HG2 LYS 6 1HG LYS 6 21.640 3.857 -3.164 62 HG3 LYS 6 2HG LYS 6 20.097 3.848 -2.307 63 HD2 LYS 6 1HD LYS 6 19.879 5.950 -3.052 64 HD3 LYS 6 2HD LYS 6 21.041 6.368 -1.791 65 HE2 LYS 6 1HE LYS 6 22.132 7.285 -3.556 66 HE3 LYS 6 2HE LYS 6 22.752 5.641 -3.704 67 HZ1 LYS 6 3HZ LYS 6 22.008 5.818 -5.793 68 HZ2 LYS 6 1HZ LYS 6 20.957 7.097 -5.438 69 HZ3 LYS 6 2HZ LYS 6 20.484 5.502 -5.127 70 H TRP 7 H TRP 7 21.619 2.374 1.691 71 HA TRP 7 HA TRP 7 19.782 0.396 0.728 72 HB2 TRP 7 2HB TRP 7 20.773 -1.059 2.419 73 HB3 TRP 7 3HB TRP 7 22.034 -0.197 1.542 74 HD1 TRP 7 1HD TRP 7 23.387 1.701 2.890 75 HE1 TRP 7 1HE TRP 7 23.741 2.071 5.412 76 HE3 TRP 7 3HE TRP 7 19.649 -1.292 4.681 77 HZ2 TRP 7 2HZ TRP 7 22.587 1.208 7.840 78 HZ3 TRP 7 3HZ TRP 7 19.341 -1.464 7.116 79 HH2 TRP 7 2HH TRP 7 20.782 -0.240 8.661 80 H ALA 8 H ALA 8 19.926 2.584 3.457 81 HA ALA 8 HA ALA 8 18.040 1.466 5.149 82 HB1 ALA 8 3HB ALA 8 18.655 4.361 4.596 83 HB2 ALA 8 1HB ALA 8 17.618 3.809 5.912 84 HB3 ALA 8 2HB ALA 8 19.319 3.344 5.873 85 H SER 9 H SER 9 17.562 3.498 2.299 86 HA SER 9 HA SER 9 14.715 3.651 2.636 87 HB2 SER 9 1HB SER 9 14.717 5.046 0.795 88 HB3 SER 9 2HB SER 9 16.382 5.246 1.339 89 HG SER 9 HG SER 9 15.489 4.305 -0.999 90 H LEU 10 H LEU 10 16.949 1.660 0.796 91 HA LEU 10 HA LEU 10 15.179 0.426 -0.956 92 HB2 LEU 10 1HB LEU 10 17.772 0.253 -0.672 93 HB3 LEU 10 2HB LEU 10 17.371 -1.137 0.335 94 HG LEU 10 HG LEU 10 16.113 -1.109 -2.328 95 HD11 LEU 10 1HD1 LEU 10 19.094 -1.377 -1.985 96 HD12 LEU 10 2HD1 LEU 10 18.230 -0.218 -2.994 97 HD13 LEU 10 3HD1 LEU 10 18.202 -1.933 -3.402 98 HD21 LEU 10 3HD2 LEU 10 15.747 -3.078 -1.210 99 HD22 LEU 10 1HD2 LEU 10 17.328 -3.055 -0.428 100 HD23 LEU 10 2HD2 LEU 10 17.194 -3.493 -2.131 101 H TRP 11 H TRP 11 16.203 -0.676 2.275 102 HA TRP 11 HA TRP 11 14.518 -2.927 2.367 103 HB2 TRP 11 2HB TRP 11 15.866 -1.279 4.497 104 HB3 TRP 11 3HB TRP 11 14.833 -2.645 4.908 105 HD1 TRP 11 1HD TRP 11 17.243 -2.705 1.916 106 HE1 TRP 11 1HE TRP 11 19.023 -4.514 2.342 107 HE3 TRP 11 3HE TRP 11 15.992 -3.959 6.711 108 HZ2 TRP 11 2HZ TRP 11 19.793 -6.245 4.434 109 HZ3 TRP 11 3HZ TRP 11 17.299 -5.701 7.854 110 HH2 TRP 11 2HH TRP 11 19.160 -6.821 6.737 111 H ASN 12 H ASN 12 13.926 0.443 2.925 112 HA ASN 12 HA ASN 12 11.513 0.115 4.420 113 HB2 ASN 12 1HB ASN 12 13.146 2.206 4.077 114 HB3 ASN 12 2HB ASN 12 11.964 2.588 2.828 115 HD21 ASN 12 2HD2 ASN 12 11.978 1.414 6.180 116 HD22 ASN 12 1HD2 ASN 12 10.721 2.465 6.729 117 H TRP 13 H TRP 13 12.337 0.249 1.040 118 HA TRP 13 HA TRP 13 9.851 0.887 -0.059 119 HB2 TRP 13 2HB TRP 13 12.055 0.707 -1.282 120 HB3 TRP 13 3HB TRP 13 11.840 -1.041 -1.263 121 HD1 TRP 13 1HD TRP 13 10.297 2.135 -2.788 122 HE1 TRP 13 1HE TRP 13 8.944 1.459 -4.871 123 HE3 TRP 13 3HE TRP 13 10.645 -2.948 -2.365 124 HZ2 TRP 13 2HZ TRP 13 8.132 -0.916 -6.163 125 HZ3 TRP 13 3HZ TRP 13 9.552 -4.350 -4.066 126 HH2 TRP 13 2HH TRP 13 8.321 -3.354 -5.924 127 H PHE 14 H PHE 14 10.929 -1.972 1.517 128 HA PHE 14 HA PHE 14 9.382 -3.962 0.401 129 HB2 PHE 14 2HB PHE 14 11.022 -4.411 2.147 130 HB3 PHE 14 3HB PHE 14 10.047 -3.533 3.321 131 HD1 PHE 14 1HD PHE 14 9.160 -6.100 0.768 132 HD2 PHE 14 2HD PHE 14 9.268 -5.025 4.886 133 HE1 PHE 14 1HE PHE 14 7.979 -8.182 1.339 134 HE2 PHE 14 2HE PHE 14 8.088 -7.105 5.463 135 HZ PHE 14 HZ PHE 14 7.443 -8.687 3.689 136 H ASP 15 H ASP 15 8.466 -1.939 3.194 137 HA ASP 15 HA ASP 15 5.842 -2.841 3.430 138 HB2 ASP 15 1HB ASP 15 7.079 -1.421 5.090 139 HB3 ASP 15 2HB ASP 15 6.802 -0.038 4.034 140 H ILE 16 H ILE 16 7.205 -0.302 1.403 141 HA ILE 16 HA ILE 16 4.731 0.738 0.487 142 HB ILE 16 HB ILE 16 7.515 0.874 -0.659 143 HG12 ILE 16 1HG1 ILE 16 7.067 3.354 -0.032 144 HG13 ILE 16 2HG1 ILE 16 5.758 2.708 0.951 145 HG21 ILE 16 1HG2 ILE 16 6.436 1.244 -2.614 146 HG22 ILE 16 2HG2 ILE 16 4.932 1.710 -1.822 147 HG23 ILE 16 3HG2 ILE 16 6.260 2.863 -1.937 148 HD11 ILE 16 3HD1 ILE 16 7.934 3.120 2.133 149 HD12 ILE 16 1HD1 ILE 16 7.256 1.502 2.315 150 HD13 ILE 16 2HD1 ILE 16 8.599 1.776 1.205 151 H THR 17 H THR 17 6.711 -1.957 -0.475 152 HA THR 17 HA THR 17 5.863 -2.398 -3.074 153 HB THR 17 HB THR 17 6.170 -4.744 -1.244 154 HG1 THR 17 1HG THR 17 8.566 -4.260 -1.727 155 HG21 THR 17 3HG2 THR 17 6.869 -4.043 -4.071 156 HG22 THR 17 1HG2 THR 17 5.953 -5.419 -3.458 157 HG23 THR 17 2HG2 THR 17 7.704 -5.361 -3.249 158 H ASN 18 H ASN 18 4.409 -3.633 -0.065 159 HA ASN 18 HA ASN 18 2.139 -4.700 -1.505 160 HB2 ASN 18 1HB ASN 18 3.222 -5.730 0.582 161 HB3 ASN 18 2HB ASN 18 2.386 -4.473 1.491 162 HD21 ASN 18 2HD2 ASN 18 1.553 -6.649 -1.190 163 HD22 ASN 18 1HD2 ASN 18 0.090 -7.235 -0.481 164 H TRP 19 H TRP 19 2.964 -1.834 0.260 165 HA TRP 19 HA TRP 19 0.504 -0.878 1.065 166 HB2 TRP 19 2HB TRP 19 2.698 0.203 1.535 167 HB3 TRP 19 3HB TRP 19 2.736 0.778 -0.130 168 HD1 TRP 19 1HD TRP 19 -0.207 0.907 2.399 169 HE1 TRP 19 1HE TRP 19 -0.966 3.358 2.602 170 HE3 TRP 19 3HE TRP 19 3.287 3.093 -0.627 171 HZ2 TRP 19 2HZ TRP 19 -0.189 5.883 1.609 172 HZ3 TRP 19 3HZ TRP 19 3.209 5.531 -0.948 173 HH2 TRP 19 2HH TRP 19 1.506 6.896 0.147 174 H LEU 20 H LEU 20 2.093 -0.314 -2.077 175 HA LEU 20 HA LEU 20 0.095 1.184 -3.277 176 HB2 LEU 20 1HB LEU 20 2.314 -0.518 -4.218 177 HB3 LEU 20 2HB LEU 20 1.038 -0.196 -5.391 178 HG LEU 20 HG LEU 20 2.129 2.155 -3.967 179 HD11 LEU 20 1HD1 LEU 20 3.774 0.368 -5.686 180 HD12 LEU 20 2HD1 LEU 20 4.241 1.340 -4.290 181 HD13 LEU 20 3HD1 LEU 20 3.962 2.115 -5.850 182 HD21 LEU 20 3HD2 LEU 20 1.155 3.191 -5.672 183 HD22 LEU 20 1HD2 LEU 20 0.549 1.626 -6.215 184 HD23 LEU 20 2HD2 LEU 20 2.077 2.245 -6.842 185 H TRP 21 H TRP 21 0.270 -2.247 -2.703 186 HA TRP 21 HA TRP 21 -1.929 -2.875 -4.464 187 HB2 TRP 21 2HB TRP 21 0.126 -4.337 -3.231 188 HB3 TRP 21 3HB TRP 21 -1.367 -4.929 -2.510 189 HD1 TRP 21 1HD TRP 21 0.284 -4.525 -5.978 190 HE1 TRP 21 1HE TRP 21 -0.727 -6.289 -7.556 191 HE3 TRP 21 3HE TRP 21 -3.285 -6.450 -2.864 192 HZ2 TRP 21 2HZ TRP 21 -2.767 -8.238 -7.490 193 HZ3 TRP 21 3HZ TRP 21 -4.725 -8.262 -3.699 194 HH2 TRP 21 2HH TRP 21 -4.470 -9.136 -5.964 195 H TYR 22 H TYR 22 -1.462 -2.108 -1.103 196 HA TYR 22 HA TYR 22 -4.044 -3.045 -0.257 197 HB2 TYR 22 2HB TYR 22 -1.995 -2.850 1.222 198 HB3 TYR 22 3HB TYR 22 -2.245 -1.108 1.203 199 HD1 TYR 22 1HD TYR 22 -3.703 -4.330 2.269 200 HD2 TYR 22 2HD TYR 22 -3.923 -0.091 2.550 201 HE1 TYR 22 1HE TYR 22 -5.277 -4.543 4.146 202 HE2 TYR 22 2HE TYR 22 -5.499 -0.291 4.428 203 HH TYR 22 HH TYR 22 -6.350 -3.445 5.783 204 H ILE 23 H ILE 23 -2.616 0.053 -1.152 205 HA ILE 23 HA ILE 23 -4.760 1.706 -0.405 206 HB ILE 23 HB ILE 23 -3.836 3.352 -1.982 207 HG12 ILE 23 1HG1 ILE 23 -1.836 1.214 -2.734 208 HG13 ILE 23 2HG1 ILE 23 -3.224 1.642 -3.731 209 HG21 ILE 23 1HG2 ILE 23 -2.541 2.184 0.239 210 HG22 ILE 23 2HG2 ILE 23 -1.297 2.576 -0.947 211 HG23 ILE 23 3HG2 ILE 23 -2.391 3.832 -0.369 212 HD11 ILE 23 3HD1 ILE 23 -1.226 3.701 -2.882 213 HD12 ILE 23 1HD1 ILE 23 -0.959 2.679 -4.294 214 HD13 ILE 23 2HD1 ILE 23 -2.363 3.744 -4.229 215 H LYS 24 H LYS 24 -4.312 -0.407 -3.109 216 HA LYS 24 HA LYS 24 -6.312 0.787 -4.779 217 HB2 LYS 24 1HB LYS 24 -4.830 -1.832 -4.845 218 HB3 LYS 24 2HB LYS 24 -6.116 -1.473 -5.989 219 HG2 LYS 24 1HG LYS 24 -4.886 0.476 -6.780 220 HG3 LYS 24 2HG LYS 24 -3.601 0.142 -5.616 221 HD2 LYS 24 1HD LYS 24 -3.298 -2.084 -6.710 222 HD3 LYS 24 2HD LYS 24 -4.447 -1.572 -7.949 223 HE2 LYS 24 1HE LYS 24 -2.805 0.513 -8.056 224 HE3 LYS 24 2HE LYS 24 -1.659 -0.680 -7.446 225 HZ1 LYS 24 3HZ LYS 24 -2.830 -0.434 -10.063 226 HZ2 LYS 24 1HZ LYS 24 -2.891 -2.009 -9.446 227 HZ3 LYS 24 2HZ LYS 24 -1.405 -1.212 -9.584 228 H LEU 25 H LEU 25 -6.195 -2.306 -3.002 229 HA LEU 25 HA LEU 25 -8.922 -2.913 -3.360 230 HB2 LEU 25 1HB LEU 25 -8.561 -4.491 -1.448 231 HB3 LEU 25 2HB LEU 25 -7.450 -4.675 -2.803 232 HG LEU 25 HG LEU 25 -6.032 -3.020 -1.176 233 HD11 LEU 25 1HD1 LEU 25 -7.005 -4.996 0.797 234 HD12 LEU 25 2HD1 LEU 25 -8.045 -3.608 0.476 235 HD13 LEU 25 3HD1 LEU 25 -6.390 -3.359 1.033 236 HD21 LEU 25 3HD2 LEU 25 -4.651 -4.899 -0.743 237 HD22 LEU 25 1HD2 LEU 25 -5.371 -5.156 -2.333 238 HD23 LEU 25 2HD2 LEU 25 -6.001 -6.020 -0.931 239 H PHE 26 H PHE 26 -7.192 -1.164 -0.842 240 HA PHE 26 HA PHE 26 -9.137 -0.999 1.113 241 HB2 PHE 26 2HB PHE 26 -6.924 -0.145 1.524 242 HB3 PHE 26 3HB PHE 26 -7.097 1.057 0.249 243 HD1 PHE 26 1HD PHE 26 -8.372 0.048 3.574 244 HD2 PHE 26 2HD PHE 26 -8.017 3.162 0.696 245 HE1 PHE 26 1HE PHE 26 -9.220 1.664 5.224 246 HE2 PHE 26 2HE PHE 26 -8.865 4.784 2.341 247 HZ PHE 26 HZ PHE 26 -9.467 4.036 4.608 248 H ILE 27 H ILE 27 -8.526 1.507 -1.355 249 HA ILE 27 HA ILE 27 -10.806 3.019 -0.867 250 HB ILE 27 HB ILE 27 -9.380 2.663 -3.505 251 HG12 ILE 27 1HG1 ILE 27 -7.902 3.391 -1.663 252 HG13 ILE 27 2HG1 ILE 27 -8.113 4.649 -2.873 253 HG21 ILE 27 1HG2 ILE 27 -11.419 4.634 -2.541 254 HG22 ILE 27 2HG2 ILE 27 -10.281 5.049 -3.822 255 HG23 ILE 27 3HG2 ILE 27 -11.397 3.700 -4.036 256 HD11 ILE 27 3HD1 ILE 27 -9.809 5.698 -1.408 257 HD12 ILE 27 1HD1 ILE 27 -9.435 4.491 -0.177 258 HD13 ILE 27 2HD1 ILE 27 -8.196 5.635 -0.699 259 H MET 28 H MET 28 -10.422 0.048 -2.621 260 HA MET 28 HA MET 28 -12.857 0.193 -4.095 261 HB2 MET 28 1HB MET 28 -10.869 -1.279 -4.630 262 HB3 MET 28 2HB MET 28 -11.374 -2.312 -3.299 263 HG2 MET 28 1HG MET 28 -13.680 -2.132 -4.689 264 HG3 MET 28 2HG MET 28 -12.501 -2.005 -5.991 265 HE1 MET 28 3HE MET 28 -13.328 -5.215 -3.017 266 HE2 MET 28 1HE MET 28 -14.220 -3.750 -3.423 267 HE3 MET 28 2HE MET 28 -14.470 -5.221 -4.362 268 H ILE 29 H ILE 29 -11.937 -1.118 -0.959 269 HA ILE 29 HA ILE 29 -14.486 -2.354 -0.485 270 HB ILE 29 HB ILE 29 -12.263 -1.714 1.458 271 HG12 ILE 29 1HG1 ILE 29 -12.729 -4.507 0.722 272 HG13 ILE 29 2HG1 ILE 29 -12.237 -3.509 -0.642 273 HG21 ILE 29 1HG2 ILE 29 -13.893 -2.139 2.952 274 HG22 ILE 29 2HG2 ILE 29 -14.915 -2.947 1.764 275 HG23 ILE 29 3HG2 ILE 29 -13.583 -3.820 2.519 276 HD11 ILE 29 3HD1 ILE 29 -10.406 -2.702 1.082 277 HD12 ILE 29 1HD1 ILE 29 -10.732 -4.285 1.788 278 HD13 ILE 29 2HD1 ILE 29 -10.201 -4.159 0.110 279 H VAL 30 H VAL 30 -12.919 0.672 0.420 280 HA VAL 30 HA VAL 30 -14.695 1.596 2.339 281 HB VAL 30 HB VAL 30 -13.250 3.234 0.251 282 HG11 VAL 30 1HG1 VAL 30 -14.871 3.943 2.630 283 HG12 VAL 30 2HG1 VAL 30 -13.399 4.874 2.341 284 HG13 VAL 30 3HG1 VAL 30 -14.658 4.803 1.105 285 HG21 VAL 30 3HG2 VAL 30 -11.404 2.559 1.301 286 HG22 VAL 30 1HG2 VAL 30 -11.961 3.479 2.699 287 HG23 VAL 30 2HG2 VAL 30 -12.335 1.760 2.568 288 H GLY 31 H GLY 31 -14.835 1.991 -1.194 289 HA2 GLY 31 1HA GLY 31 -17.086 3.601 -1.373 290 HA3 GLY 31 2HA GLY 31 -16.606 2.425 -2.589 291 H LYS 32 H LYS 32 -16.913 0.075 -1.085 292 HA LYS 32 HA LYS 32 -19.603 -0.511 -1.495 293 HB2 LYS 32 1HB LYS 32 -17.519 -1.869 0.214 294 HB3 LYS 32 2HB LYS 32 -19.128 -2.534 -0.039 295 HG2 LYS 32 1HG LYS 32 -17.728 -1.809 -2.505 296 HG3 LYS 32 2HG LYS 32 -16.948 -3.084 -1.566 297 HD2 LYS 32 1HD LYS 32 -18.987 -4.385 -1.570 298 HD3 LYS 32 2HD LYS 32 -19.853 -3.081 -2.386 299 HE2 LYS 32 1HE LYS 32 -19.073 -3.680 -4.397 300 HE3 LYS 32 2HE LYS 32 -17.435 -3.916 -3.787 301 HZ1 LYS 32 3HZ LYS 32 -19.284 -5.933 -2.910 302 HZ2 LYS 32 1HZ LYS 32 -17.751 -6.101 -3.605 303 HZ3 LYS 32 2HZ LYS 32 -19.108 -5.884 -4.591 304 H LYS 33 H LYS 33 -17.959 0.756 1.313 305 HA LYS 33 HA LYS 33 -20.259 0.394 3.039 306 HB2 LYS 33 1HB LYS 33 -17.616 1.793 3.481 307 HB3 LYS 33 2HB LYS 33 -18.859 1.603 4.711 308 HG2 LYS 33 1HG LYS 33 -17.367 -0.621 3.335 309 HG3 LYS 33 2HG LYS 33 -17.115 -0.053 4.987 310 HD2 LYS 33 1HD LYS 33 -19.751 -0.564 5.079 311 HD3 LYS 33 2HD LYS 33 -19.262 -1.746 3.863 312 HE2 LYS 33 1HE LYS 33 -17.663 -2.716 5.372 313 HE3 LYS 33 2HE LYS 33 -17.951 -1.448 6.561 314 HZ1 LYS 33 3HZ LYS 33 -19.152 -3.828 6.604 315 HZ2 LYS 33 1HZ LYS 33 -20.299 -2.934 5.739 316 HZ3 LYS 33 2HZ LYS 33 -19.821 -2.430 7.281 317 H LYS 34 H LYS 34 -18.726 2.948 1.193 318 HA LYS 34 HA LYS 34 -20.128 5.128 2.315 319 HB2 LYS 34 1HB LYS 34 -18.869 4.770 -0.409 320 HB3 LYS 34 2HB LYS 34 -19.507 6.298 0.183 321 HG2 LYS 34 1HG LYS 34 -17.570 4.961 1.950 322 HG3 LYS 34 2HG LYS 34 -16.935 5.550 0.411 323 HD2 LYS 34 1HD LYS 34 -17.573 7.771 0.884 324 HD3 LYS 34 2HD LYS 34 -18.611 7.270 2.221 325 HE2 LYS 34 1HE LYS 34 -16.908 7.656 3.595 326 HE3 LYS 34 2HE LYS 34 -16.070 6.295 2.851 327 HZ1 LYS 34 3HZ LYS 34 -14.547 7.877 2.419 328 HZ2 LYS 34 1HZ LYS 34 -15.661 9.150 2.486 329 HZ3 LYS 34 2HZ LYS 34 -15.539 8.205 1.089 330 H LYS 35 H LYS 35 -20.794 3.042 -0.468 331 HA LYS 35 HA LYS 35 -23.084 4.403 -1.379 332 HB2 LYS 35 1HB LYS 35 -21.728 1.891 -1.931 333 HB3 LYS 35 2HB LYS 35 -23.476 1.722 -2.022 334 HG2 LYS 35 1HG LYS 35 -23.653 3.054 -3.850 335 HG3 LYS 35 2HG LYS 35 -22.270 4.051 -3.394 336 HD2 LYS 35 1HD LYS 35 -21.132 1.587 -3.843 337 HD3 LYS 35 2HD LYS 35 -22.391 1.670 -5.076 338 HE2 LYS 35 1HE LYS 35 -20.863 2.801 -6.265 339 HE3 LYS 35 2HE LYS 35 -21.305 4.161 -5.235 340 HZ1 LYS 35 3HZ LYS 35 -19.340 2.474 -4.024 341 HZ2 LYS 35 1HZ LYS 35 -19.315 4.146 -4.278 342 HZ3 LYS 35 2HZ LYS 35 -18.810 3.097 -5.505 343 H LYS 36 H LYS 36 -25.174 4.357 -0.780 344 HA LYS 36 HA LYS 36 -27.018 4.010 0.506 345 HB2 LYS 36 1HB LYS 36 -26.903 1.795 -0.594 346 HB3 LYS 36 2HB LYS 36 -25.909 1.205 0.731 347 HG2 LYS 36 1HG LYS 36 -28.047 2.157 2.089 348 HG3 LYS 36 2HG LYS 36 -28.808 1.631 0.587 349 HD2 LYS 36 1HD LYS 36 -26.913 -0.125 2.124 350 HD3 LYS 36 2HD LYS 36 -28.644 -0.082 2.469 351 HE2 LYS 36 1HE LYS 36 -29.169 -1.232 0.607 352 HE3 LYS 36 2HE LYS 36 -27.958 -0.400 -0.368 353 HZ1 LYS 36 3HZ LYS 36 -27.590 -2.744 1.396 354 HZ2 LYS 36 1HZ LYS 36 -26.281 -1.806 0.879 355 HZ3 LYS 36 2HZ LYS 36 -27.247 -2.607 -0.254 Start of MODEL 3 1 H1 LYS 1 H LYS 1 17.095 7.062 14.262 2 HA LYS 1 HA LYS 1 17.860 5.814 11.734 3 HB2 LYS 1 1HB LYS 1 18.264 8.756 12.306 4 HB3 LYS 1 2HB LYS 1 18.873 7.890 10.901 5 HG2 LYS 1 1HG LYS 1 16.771 7.683 9.956 6 HG3 LYS 1 2HG LYS 1 15.944 7.929 11.495 7 HD2 LYS 1 1HD LYS 1 16.239 10.224 11.435 8 HD3 LYS 1 2HD LYS 1 17.618 10.120 10.338 9 HE2 LYS 1 1HE LYS 1 16.173 9.545 8.500 10 HE3 LYS 1 2HE LYS 1 14.779 9.451 9.573 11 HZ1 LYS 1 3HZ LYS 1 14.630 11.529 8.545 12 HZ2 LYS 1 1HZ LYS 1 16.280 11.855 8.731 13 HZ3 LYS 1 2HZ LYS 1 15.258 11.872 10.079 14 H LYS 2 H LYS 2 19.710 4.774 12.015 15 HA LYS 2 HA LYS 2 21.647 5.837 13.963 16 HB2 LYS 2 1HB LYS 2 20.659 3.900 14.969 17 HB3 LYS 2 2HB LYS 2 20.834 2.970 13.487 18 HG2 LYS 2 1HG LYS 2 22.483 2.323 15.163 19 HG3 LYS 2 2HG LYS 2 23.249 2.999 13.724 20 HD2 LYS 2 1HD LYS 2 23.457 5.164 14.885 21 HD3 LYS 2 2HD LYS 2 22.749 4.438 16.330 22 HE2 LYS 2 1HE LYS 2 25.155 3.197 15.064 23 HE3 LYS 2 2HE LYS 2 25.341 4.621 16.087 24 HZ1 LYS 2 3HZ LYS 2 25.109 3.377 17.890 25 HZ2 LYS 2 1HZ LYS 2 25.140 1.998 16.909 26 HZ3 LYS 2 2HZ LYS 2 23.662 2.703 17.330 27 H LYS 3 H LYS 3 21.210 3.786 11.100 28 HA LYS 3 HA LYS 3 23.912 4.581 10.232 29 HB2 LYS 3 1HB LYS 3 22.602 1.905 10.268 30 HB3 LYS 3 2HB LYS 3 23.657 2.281 8.911 31 HG2 LYS 3 1HG LYS 3 24.940 3.025 11.359 32 HG3 LYS 3 2HG LYS 3 24.381 1.353 11.457 33 HD2 LYS 3 1HD LYS 3 25.770 2.238 8.978 34 HD3 LYS 3 2HD LYS 3 26.737 1.964 10.428 35 HE2 LYS 3 1HE LYS 3 25.133 -0.246 10.387 36 HE3 LYS 3 2HE LYS 3 25.386 0.050 8.667 37 HZ1 LYS 3 3HZ LYS 3 27.837 0.332 10.003 38 HZ2 LYS 3 1HZ LYS 3 27.398 -0.817 8.842 39 HZ3 LYS 3 2HZ LYS 3 27.142 -1.133 10.483 40 H LYS 4 H LYS 4 22.454 6.348 9.326 41 HA LYS 4 HA LYS 4 20.632 5.899 7.263 42 HB2 LYS 4 1HB LYS 4 22.252 8.181 8.210 43 HB3 LYS 4 2HB LYS 4 21.714 8.279 6.539 44 HG2 LYS 4 1HG LYS 4 19.387 7.692 7.519 45 HG3 LYS 4 2HG LYS 4 20.095 8.222 9.047 46 HD2 LYS 4 1HD LYS 4 19.108 10.158 8.201 47 HD3 LYS 4 2HD LYS 4 20.804 10.326 7.743 48 HE2 LYS 4 1HE LYS 4 19.493 8.899 5.677 49 HE3 LYS 4 2HE LYS 4 18.492 10.293 6.076 50 HZ1 LYS 4 3HZ LYS 4 19.872 11.423 4.766 51 HZ2 LYS 4 1HZ LYS 4 21.031 10.191 4.749 52 HZ3 LYS 4 2HZ LYS 4 21.007 11.312 6.015 53 H ASP 5 H ASP 5 20.798 5.663 5.075 54 HA ASP 5 HA ASP 5 23.166 6.064 3.586 55 HB2 ASP 5 1HB ASP 5 23.097 3.622 5.004 56 HB3 ASP 5 2HB ASP 5 22.781 3.226 3.317 57 H LYS 6 H LYS 6 22.927 4.659 1.406 58 HA LYS 6 HA LYS 6 20.345 5.433 0.357 59 HB2 LYS 6 1HB LYS 6 22.714 5.642 -0.757 60 HB3 LYS 6 2HB LYS 6 22.410 3.982 -1.253 61 HG2 LYS 6 1HG LYS 6 21.663 5.219 -3.057 62 HG3 LYS 6 2HG LYS 6 20.178 4.890 -2.160 63 HD2 LYS 6 1HD LYS 6 19.826 7.100 -2.300 64 HD3 LYS 6 2HD LYS 6 21.040 7.229 -1.025 65 HE2 LYS 6 1HE LYS 6 22.572 7.068 -3.292 66 HE3 LYS 6 2HE LYS 6 21.179 7.996 -3.843 67 HZ1 LYS 6 3HZ LYS 6 21.637 9.275 -1.613 68 HZ2 LYS 6 1HZ LYS 6 22.473 9.660 -3.033 69 HZ3 LYS 6 2HZ LYS 6 23.207 8.694 -1.854 70 H TRP 7 H TRP 7 22.205 2.441 0.751 71 HA TRP 7 HA TRP 7 20.328 0.717 -0.441 72 HB2 TRP 7 2HB TRP 7 21.521 -1.085 0.755 73 HB3 TRP 7 3HB TRP 7 22.632 0.028 -0.041 74 HD1 TRP 7 1HD TRP 7 24.192 1.530 1.511 75 HE1 TRP 7 1HE TRP 7 24.836 1.362 3.998 76 HE3 TRP 7 3HE TRP 7 20.595 -1.757 3.060 77 HZ2 TRP 7 2HZ TRP 7 23.938 0.014 6.310 78 HZ3 TRP 7 3HZ TRP 7 20.559 -2.435 5.426 79 HH2 TRP 7 2HH TRP 7 22.196 -1.567 7.014 80 H ALA 8 H ALA 8 20.624 1.995 2.811 81 HA ALA 8 HA ALA 8 18.863 0.282 4.145 82 HB1 ALA 8 3HB ALA 8 19.145 3.209 4.763 83 HB2 ALA 8 1HB ALA 8 18.797 1.883 5.873 84 HB3 ALA 8 2HB ALA 8 20.399 2.031 5.148 85 H SER 9 H SER 9 18.219 3.395 2.541 86 HA SER 9 HA SER 9 15.479 3.516 3.072 87 HB2 SER 9 1HB SER 9 16.401 5.505 2.261 88 HB3 SER 9 2HB SER 9 17.222 4.695 0.928 89 HG SER 9 HG SER 9 15.550 5.402 -0.151 90 H LEU 10 H LEU 10 17.267 1.685 0.722 91 HA LEU 10 HA LEU 10 15.184 1.113 -1.083 92 HB2 LEU 10 1HB LEU 10 17.741 0.690 -1.240 93 HB3 LEU 10 2HB LEU 10 17.360 -0.844 -0.462 94 HG LEU 10 HG LEU 10 15.787 -0.172 -2.874 95 HD11 LEU 10 1HD1 LEU 10 17.579 0.339 -4.104 96 HD12 LEU 10 2HD1 LEU 10 17.982 -1.373 -3.982 97 HD13 LEU 10 3HD1 LEU 10 18.706 -0.214 -2.866 98 HD21 LEU 10 3HD2 LEU 10 16.059 -2.361 -1.295 99 HD22 LEU 10 1HD2 LEU 10 17.195 -2.733 -2.593 100 HD23 LEU 10 2HD2 LEU 10 15.504 -2.399 -2.970 101 H TRP 11 H TRP 11 16.372 -0.656 1.759 102 HA TRP 11 HA TRP 11 14.644 -2.846 1.585 103 HB2 TRP 11 2HB TRP 11 16.048 -1.538 3.906 104 HB3 TRP 11 3HB TRP 11 15.015 -2.947 4.132 105 HD1 TRP 11 1HD TRP 11 18.508 -2.051 3.420 106 HE1 TRP 11 1HE TRP 11 19.841 -4.110 2.639 107 HE3 TRP 11 3HE TRP 11 14.615 -5.233 2.496 108 HZ2 TRP 11 2HZ TRP 11 19.311 -6.736 1.750 109 HZ3 TRP 11 3HZ TRP 11 15.114 -7.501 1.681 110 HH2 TRP 11 2HH TRP 11 17.413 -8.235 1.316 111 H ASN 12 H ASN 12 14.177 0.361 2.935 112 HA ASN 12 HA ASN 12 11.831 -0.094 4.383 113 HB2 ASN 12 1HB ASN 12 12.996 1.979 4.666 114 HB3 ASN 12 2HB ASN 12 12.834 2.372 2.957 115 HD21 ASN 12 2HD2 ASN 12 10.642 1.351 5.559 116 HD22 ASN 12 1HD2 ASN 12 9.472 2.593 5.290 117 H TRP 13 H TRP 13 12.383 0.240 0.968 118 HA TRP 13 HA TRP 13 9.816 0.915 0.098 119 HB2 TRP 13 2HB TRP 13 11.922 0.819 -1.297 120 HB3 TRP 13 3HB TRP 13 11.718 -0.930 -1.355 121 HD1 TRP 13 1HD TRP 13 10.046 2.309 -2.585 122 HE1 TRP 13 1HE TRP 13 8.541 1.732 -4.592 123 HE3 TRP 13 3HE TRP 13 10.450 -2.786 -2.463 124 HZ2 TRP 13 2HZ TRP 13 7.643 -0.579 -5.943 125 HZ3 TRP 13 3HZ TRP 13 9.236 -4.106 -4.148 126 HH2 TRP 13 2HH TRP 13 7.862 -3.024 -5.851 127 H PHE 14 H PHE 14 11.027 -2.013 1.432 128 HA PHE 14 HA PHE 14 9.409 -3.956 0.334 129 HB2 PHE 14 2HB PHE 14 11.172 -4.500 1.915 130 HB3 PHE 14 3HB PHE 14 10.311 -3.669 3.206 131 HD1 PHE 14 1HD PHE 14 10.423 -6.659 1.101 132 HD2 PHE 14 2HD PHE 14 8.419 -4.683 4.294 133 HE1 PHE 14 1HE PHE 14 9.280 -8.760 1.679 134 HE2 PHE 14 2HE PHE 14 7.274 -6.781 4.879 135 HZ PHE 14 HZ PHE 14 7.705 -8.823 3.572 136 H ASP 15 H ASP 15 8.700 -2.092 3.293 137 HA ASP 15 HA ASP 15 6.107 -3.029 3.680 138 HB2 ASP 15 1HB ASP 15 7.479 -1.675 5.303 139 HB3 ASP 15 2HB ASP 15 7.074 -0.246 4.355 140 H ILE 16 H ILE 16 7.297 -0.375 1.692 141 HA ILE 16 HA ILE 16 4.756 0.690 1.025 142 HB ILE 16 HB ILE 16 7.442 0.912 -0.321 143 HG12 ILE 16 1HG1 ILE 16 7.032 3.351 0.470 144 HG13 ILE 16 2HG1 ILE 16 5.805 2.641 1.514 145 HG21 ILE 16 1HG2 ILE 16 6.082 2.955 -1.390 146 HG22 ILE 16 2HG2 ILE 16 6.217 1.377 -2.165 147 HG23 ILE 16 3HG2 ILE 16 4.773 1.784 -1.238 148 HD11 ILE 16 3HD1 ILE 16 8.063 3.011 2.547 149 HD12 ILE 16 1HD1 ILE 16 7.409 1.380 2.694 150 HD13 ILE 16 2HD1 ILE 16 8.661 1.723 1.500 151 H THR 17 H THR 17 6.669 -1.933 -0.227 152 HA THR 17 HA THR 17 5.626 -2.244 -2.775 153 HB THR 17 HB THR 17 6.084 -4.680 -1.101 154 HG1 THR 17 1HG THR 17 8.421 -4.209 -1.645 155 HG21 THR 17 3HG2 THR 17 6.559 -3.823 -3.932 156 HG22 THR 17 1HG2 THR 17 5.703 -5.239 -3.324 157 HG23 THR 17 2HG2 THR 17 7.464 -5.173 -3.248 158 H ASN 18 H ASN 18 4.417 -3.661 0.264 159 HA ASN 18 HA ASN 18 2.070 -4.716 -1.031 160 HB2 ASN 18 1HB ASN 18 3.425 -5.468 1.184 161 HB3 ASN 18 2HB ASN 18 2.137 -4.521 1.924 162 HD21 ASN 18 2HD2 ASN 18 2.839 -7.486 1.665 163 HD22 ASN 18 1HD2 ASN 18 1.339 -8.215 1.212 164 H TRP 19 H TRP 19 2.939 -1.853 0.736 165 HA TRP 19 HA TRP 19 0.492 -0.948 1.642 166 HB2 TRP 19 2HB TRP 19 2.530 0.224 2.195 167 HB3 TRP 19 3HB TRP 19 2.809 0.624 0.503 168 HD1 TRP 19 1HD TRP 19 0.275 1.433 3.319 169 HE1 TRP 19 1HE TRP 19 -0.644 3.801 2.904 170 HE3 TRP 19 3HE TRP 19 2.576 2.426 -1.137 171 HZ2 TRP 19 2HZ TRP 19 -0.424 5.822 0.945 172 HZ3 TRP 19 3HZ TRP 19 2.168 4.600 -2.216 173 HH2 TRP 19 2HH TRP 19 0.699 6.261 -1.195 174 H LEU 20 H LEU 20 1.942 -0.497 -1.569 175 HA LEU 20 HA LEU 20 -0.073 1.083 -2.682 176 HB2 LEU 20 1HB LEU 20 2.160 -0.527 -3.650 177 HB3 LEU 20 2HB LEU 20 0.817 -0.443 -4.789 178 HG LEU 20 HG LEU 20 1.418 2.183 -3.797 179 HD11 LEU 20 1HD1 LEU 20 3.733 0.699 -5.035 180 HD12 LEU 20 2HD1 LEU 20 3.654 1.307 -3.382 181 HD13 LEU 20 3HD1 LEU 20 3.657 2.436 -4.736 182 HD21 LEU 20 3HD2 LEU 20 1.986 1.250 -6.573 183 HD22 LEU 20 1HD2 LEU 20 1.248 2.753 -6.017 184 HD23 LEU 20 2HD2 LEU 20 0.323 1.252 -5.984 185 H TRP 21 H TRP 21 0.035 -2.316 -2.017 186 HA TRP 21 HA TRP 21 -2.162 -2.992 -3.753 187 HB2 TRP 21 2HB TRP 21 -0.164 -4.427 -2.438 188 HB3 TRP 21 3HB TRP 21 -1.653 -4.904 -1.627 189 HD1 TRP 21 1HD TRP 21 0.014 -4.980 -5.090 190 HE1 TRP 21 1HE TRP 21 -1.142 -6.790 -6.508 191 HE3 TRP 21 3HE TRP 21 -3.782 -6.212 -1.894 192 HZ2 TRP 21 2HZ TRP 21 -3.369 -8.512 -6.300 193 HZ3 TRP 21 3HZ TRP 21 -5.383 -7.950 -2.580 194 HH2 TRP 21 2HH TRP 21 -5.179 -9.075 -4.737 195 H TYR 22 H TYR 22 -1.728 -2.052 -0.425 196 HA TYR 22 HA TYR 22 -4.352 -2.849 0.423 197 HB2 TYR 22 2HB TYR 22 -2.309 -2.596 1.918 198 HB3 TYR 22 3HB TYR 22 -2.546 -0.857 1.795 199 HD1 TYR 22 1HD TYR 22 -4.425 -3.960 2.689 200 HD2 TYR 22 2HD TYR 22 -3.858 0.201 3.382 201 HE1 TYR 22 1HE TYR 22 -6.033 -4.055 4.548 202 HE2 TYR 22 2HE TYR 22 -5.463 0.115 5.243 203 HH TYR 22 HH TYR 22 -7.356 -2.753 5.907 204 H ILE 23 H ILE 23 -2.813 0.182 -0.554 205 HA ILE 23 HA ILE 23 -4.974 1.891 -0.000 206 HB ILE 23 HB ILE 23 -3.924 3.483 -1.520 207 HG12 ILE 23 1HG1 ILE 23 -2.023 1.244 -2.244 208 HG13 ILE 23 2HG1 ILE 23 -3.326 1.818 -3.280 209 HG21 ILE 23 1HG2 ILE 23 -2.752 2.321 0.747 210 HG22 ILE 23 2HG2 ILE 23 -1.444 2.574 -0.406 211 HG23 ILE 23 3HG2 ILE 23 -2.459 3.929 0.086 212 HD11 ILE 23 3HD1 ILE 23 -1.169 2.741 -3.931 213 HD12 ILE 23 1HD1 ILE 23 -2.280 4.004 -3.406 214 HD13 ILE 23 2HD1 ILE 23 -0.991 3.460 -2.332 215 H LYS 24 H LYS 24 -4.372 -0.309 -2.611 216 HA LYS 24 HA LYS 24 -6.247 0.842 -4.443 217 HB2 LYS 24 1HB LYS 24 -4.800 -1.794 -4.309 218 HB3 LYS 24 2HB LYS 24 -6.021 -1.482 -5.536 219 HG2 LYS 24 1HG LYS 24 -4.741 0.387 -6.384 220 HG3 LYS 24 2HG LYS 24 -3.543 0.175 -5.106 221 HD2 LYS 24 1HD LYS 24 -3.537 -2.301 -6.151 222 HD3 LYS 24 2HD LYS 24 -3.971 -1.372 -7.588 223 HE2 LYS 24 1HE LYS 24 -1.845 -0.057 -6.183 224 HE3 LYS 24 2HE LYS 24 -1.415 -1.742 -6.470 225 HZ1 LYS 24 3HZ LYS 24 -2.589 -0.320 -8.717 226 HZ2 LYS 24 1HZ LYS 24 -1.316 -1.434 -8.686 227 HZ3 LYS 24 2HZ LYS 24 -1.039 0.178 -8.257 228 H LEU 25 H LEU 25 -6.307 -2.183 -2.547 229 HA LEU 25 HA LEU 25 -9.011 -2.764 -3.059 230 HB2 LEU 25 1HB LEU 25 -8.814 -4.265 -1.071 231 HB3 LEU 25 2HB LEU 25 -7.593 -4.511 -2.318 232 HG LEU 25 HG LEU 25 -6.224 -2.867 -0.719 233 HD11 LEU 25 1HD1 LEU 25 -8.510 -3.706 0.852 234 HD12 LEU 25 2HD1 LEU 25 -7.288 -2.483 1.196 235 HD13 LEU 25 3HD1 LEU 25 -6.981 -4.173 1.596 236 HD21 LEU 25 3HD2 LEU 25 -5.024 -4.738 -0.012 237 HD22 LEU 25 1HD2 LEU 25 -5.776 -5.263 -1.519 238 HD23 LEU 25 2HD2 LEU 25 -6.460 -5.762 0.029 239 H PHE 26 H PHE 26 -7.431 -0.951 -0.482 240 HA PHE 26 HA PHE 26 -9.512 -0.660 1.307 241 HB2 PHE 26 2HB PHE 26 -7.325 0.168 1.859 242 HB3 PHE 26 3HB PHE 26 -7.358 1.307 0.517 243 HD1 PHE 26 2HD PHE 26 -9.578 0.470 3.403 244 HD2 PHE 26 1HD PHE 26 -7.600 3.488 1.147 245 HE1 PHE 26 2HE PHE 26 -10.511 2.190 4.894 246 HE2 PHE 26 1HE PHE 26 -8.529 5.215 2.635 247 HZ PHE 26 HZ PHE 26 -9.988 4.567 4.510 248 H ILE 27 H ILE 27 -8.676 1.665 -1.269 249 HA ILE 27 HA ILE 27 -10.952 3.262 -0.997 250 HB ILE 27 HB ILE 27 -9.327 2.772 -3.496 251 HG12 ILE 27 1HG1 ILE 27 -7.992 3.560 -1.568 252 HG13 ILE 27 2HG1 ILE 27 -8.080 4.765 -2.848 253 HG21 ILE 27 1HG2 ILE 27 -11.416 4.797 -2.787 254 HG22 ILE 27 2HG2 ILE 27 -10.161 5.165 -3.969 255 HG23 ILE 27 3HG2 ILE 27 -11.264 3.816 -4.245 256 HD11 ILE 27 3HD1 ILE 27 -9.706 4.755 -0.317 257 HD12 ILE 27 1HD1 ILE 27 -8.313 5.780 -0.657 258 HD13 ILE 27 2HD1 ILE 27 -9.794 5.965 -1.596 259 H MET 28 H MET 28 -10.470 0.231 -2.640 260 HA MET 28 HA MET 28 -12.785 0.350 -4.289 261 HB2 MET 28 1HB MET 28 -10.821 -1.161 -4.666 262 HB3 MET 28 2HB MET 28 -11.353 -2.116 -3.289 263 HG2 MET 28 1HG MET 28 -13.618 -1.996 -4.803 264 HG3 MET 28 2HG MET 28 -12.354 -2.042 -6.029 265 HE1 MET 28 3HE MET 28 -14.537 -3.578 -3.773 266 HE2 MET 28 1HE MET 28 -14.294 -5.312 -3.992 267 HE3 MET 28 2HE MET 28 -13.485 -4.468 -2.672 268 H ILE 29 H ILE 29 -12.126 -0.902 -1.058 269 HA ILE 29 HA ILE 29 -14.735 -2.059 -0.743 270 HB ILE 29 HB ILE 29 -12.642 -1.428 1.342 271 HG12 ILE 29 1HG1 ILE 29 -13.137 -4.225 0.629 272 HG13 ILE 29 2HG1 ILE 29 -12.506 -3.270 -0.707 273 HG21 ILE 29 1HG2 ILE 29 -14.037 -3.419 2.427 274 HG22 ILE 29 2HG2 ILE 29 -14.460 -1.725 2.668 275 HG23 ILE 29 3HG2 ILE 29 -15.320 -2.686 1.465 276 HD11 ILE 29 3HD1 ILE 29 -11.136 -4.353 1.551 277 HD12 ILE 29 1HD1 ILE 29 -10.480 -3.546 0.126 278 HD13 ILE 29 2HD1 ILE 29 -10.962 -2.599 1.534 279 H VAL 30 H VAL 30 -13.190 0.981 0.090 280 HA VAL 30 HA VAL 30 -15.081 1.984 1.887 281 HB VAL 30 HB VAL 30 -13.405 3.525 -0.101 282 HG11 VAL 30 1HG1 VAL 30 -14.791 4.448 2.415 283 HG12 VAL 30 2HG1 VAL 30 -13.711 5.422 1.418 284 HG13 VAL 30 3HG1 VAL 30 -15.250 4.862 0.764 285 HG21 VAL 30 3HG2 VAL 30 -12.543 1.931 1.967 286 HG22 VAL 30 1HG2 VAL 30 -11.640 3.265 1.247 287 HG23 VAL 30 2HG2 VAL 30 -12.599 3.534 2.702 288 H GLY 31 H GLY 31 -14.929 2.220 -1.653 289 HA2 GLY 31 1HA GLY 31 -17.211 3.863 -1.949 290 HA3 GLY 31 2HA GLY 31 -16.501 2.856 -3.202 291 H LYS 32 H LYS 32 -16.856 0.462 -1.399 292 HA LYS 32 HA LYS 32 -19.463 -0.256 -2.366 293 HB2 LYS 32 1HB LYS 32 -17.446 -1.732 -0.670 294 HB3 LYS 32 2HB LYS 32 -18.973 -2.431 -1.195 295 HG2 LYS 32 1HG LYS 32 -17.528 -1.308 -3.423 296 HG3 LYS 32 2HG LYS 32 -16.546 -2.485 -2.547 297 HD2 LYS 32 1HD LYS 32 -17.718 -3.721 -4.181 298 HD3 LYS 32 2HD LYS 32 -18.557 -4.030 -2.658 299 HE2 LYS 32 1HE LYS 32 -20.440 -3.385 -3.646 300 HE3 LYS 32 2HE LYS 32 -19.774 -1.755 -3.734 301 HZ1 LYS 32 3HZ LYS 32 -19.795 -3.852 -5.810 302 HZ2 LYS 32 1HZ LYS 32 -18.670 -2.589 -5.869 303 HZ3 LYS 32 2HZ LYS 32 -20.326 -2.249 -5.915 304 H LYS 33 H LYS 33 -18.014 -0.125 0.892 305 HA LYS 33 HA LYS 33 -20.318 -0.613 2.357 306 HB2 LYS 33 1HB LYS 33 -17.995 1.173 3.111 307 HB3 LYS 33 2HB LYS 33 -19.174 0.502 4.231 308 HG2 LYS 33 1HG LYS 33 -17.355 -1.165 2.509 309 HG3 LYS 33 2HG LYS 33 -16.996 -0.700 4.172 310 HD2 LYS 33 1HD LYS 33 -19.624 -1.777 4.105 311 HD3 LYS 33 2HD LYS 33 -18.557 -2.883 3.237 312 HE2 LYS 33 1HE LYS 33 -17.289 -3.333 5.096 313 HE3 LYS 33 2HE LYS 33 -17.652 -1.781 5.851 314 HZ1 LYS 33 3HZ LYS 33 -19.927 -2.598 6.243 315 HZ2 LYS 33 1HZ LYS 33 -18.757 -3.526 7.039 316 HZ3 LYS 33 2HZ LYS 33 -19.481 -4.110 5.627 317 H LYS 34 H LYS 34 -19.200 2.338 0.847 318 HA LYS 34 HA LYS 34 -20.772 4.222 2.150 319 HB2 LYS 34 1HB LYS 34 -19.078 4.187 -0.069 320 HB3 LYS 34 2HB LYS 34 -20.623 4.735 -0.703 321 HG2 LYS 34 1HG LYS 34 -20.471 6.270 1.490 322 HG3 LYS 34 2HG LYS 34 -18.752 6.062 1.147 323 HD2 LYS 34 1HD LYS 34 -18.935 7.062 -0.960 324 HD3 LYS 34 2HD LYS 34 -20.688 6.855 -1.006 325 HE2 LYS 34 1HE LYS 34 -20.887 8.935 -0.250 326 HE3 LYS 34 2HE LYS 34 -20.168 8.401 1.269 327 HZ1 LYS 34 3HZ LYS 34 -19.136 10.289 -0.361 328 HZ2 LYS 34 1HZ LYS 34 -18.242 8.922 -0.804 329 HZ3 LYS 34 2HZ LYS 34 -18.261 9.435 0.807 330 H LYS 35 H LYS 35 -21.638 1.841 -0.239 331 HA LYS 35 HA LYS 35 -23.620 1.227 -1.173 332 HB2 LYS 35 1HB LYS 35 -24.632 2.546 1.349 333 HB3 LYS 35 2HB LYS 35 -25.662 1.643 0.245 334 HG2 LYS 35 1HG LYS 35 -23.453 -0.004 0.834 335 HG3 LYS 35 2HG LYS 35 -24.014 0.680 2.360 336 HD2 LYS 35 1HD LYS 35 -25.911 -0.540 0.375 337 HD3 LYS 35 2HD LYS 35 -25.077 -1.515 1.587 338 HE2 LYS 35 1HE LYS 35 -26.019 -0.030 3.342 339 HE3 LYS 35 2HE LYS 35 -26.939 0.803 2.092 340 HZ1 LYS 35 3HZ LYS 35 -28.313 -0.837 3.150 341 HZ2 LYS 35 1HZ LYS 35 -27.182 -2.058 2.849 342 HZ3 LYS 35 2HZ LYS 35 -28.005 -1.333 1.561 343 H LYS 36 H LYS 36 -22.813 3.102 -2.668 344 HA LYS 36 HA LYS 36 -23.398 4.744 -4.129 345 HB2 LYS 36 1HB LYS 36 -25.631 3.304 -3.854 346 HB3 LYS 36 2HB LYS 36 -26.214 4.815 -3.170 347 HG2 LYS 36 1HG LYS 36 -25.298 5.901 -5.309 348 HG3 LYS 36 2HG LYS 36 -25.259 4.257 -5.951 349 HD2 LYS 36 1HD LYS 36 -27.547 4.056 -5.944 350 HD3 LYS 36 2HD LYS 36 -27.753 5.222 -4.634 351 HE2 LYS 36 1HE LYS 36 -28.564 6.301 -6.559 352 HE3 LYS 36 2HE LYS 36 -26.962 6.984 -6.286 353 HZ1 LYS 36 3HZ LYS 36 -27.056 4.653 -8.010 354 HZ2 LYS 36 1HZ LYS 36 -26.164 6.082 -8.165 355 HZ3 LYS 36 2HZ LYS 36 -27.787 6.044 -8.635 Start of MODEL 4 1 H1 LYS 1 H LYS 1 19.446 16.235 2.467 2 HA LYS 1 HA LYS 1 18.012 13.850 3.254 3 HB2 LYS 1 1HB LYS 1 17.026 15.578 1.152 4 HB3 LYS 1 2HB LYS 1 17.438 13.992 0.513 5 HG2 LYS 1 1HG LYS 1 15.863 12.911 1.818 6 HG3 LYS 1 2HG LYS 1 15.776 14.232 2.985 7 HD2 LYS 1 1HD LYS 1 14.055 15.111 1.886 8 HD3 LYS 1 2HD LYS 1 15.031 15.228 0.419 9 HE2 LYS 1 1HE LYS 1 14.459 12.605 0.377 10 HE3 LYS 1 2HE LYS 1 13.033 13.202 1.225 11 HZ1 LYS 1 3HZ LYS 1 13.575 14.865 -0.982 12 HZ2 LYS 1 1HZ LYS 1 12.208 13.912 -0.686 13 HZ3 LYS 1 2HZ LYS 1 13.535 13.258 -1.508 14 H LYS 2 H LYS 2 19.752 12.564 3.345 15 HA LYS 2 HA LYS 2 20.992 11.668 0.964 16 HB2 LYS 2 1HB LYS 2 22.270 13.695 1.046 17 HB3 LYS 2 2HB LYS 2 22.609 13.480 2.758 18 HG2 LYS 2 1HG LYS 2 24.559 12.952 1.423 19 HG3 LYS 2 2HG LYS 2 23.959 11.508 2.243 20 HD2 LYS 2 1HD LYS 2 22.888 10.755 0.206 21 HD3 LYS 2 2HD LYS 2 23.365 12.238 -0.624 22 HE2 LYS 2 1HE LYS 2 25.353 11.380 -1.128 23 HE3 LYS 2 2HE LYS 2 25.661 10.983 0.562 24 HZ1 LYS 2 3HZ LYS 2 25.729 8.958 -0.582 25 HZ2 LYS 2 1HZ LYS 2 24.352 9.310 -1.498 26 HZ3 LYS 2 2HZ LYS 2 24.205 8.973 0.153 27 H LYS 3 H LYS 3 21.476 9.604 1.300 28 HA LYS 3 HA LYS 3 22.093 8.742 4.051 29 HB2 LYS 3 1HB LYS 3 20.568 7.315 1.870 30 HB3 LYS 3 2HB LYS 3 21.135 6.516 3.331 31 HG2 LYS 3 1HG LYS 3 19.635 8.947 3.884 32 HG3 LYS 3 2HG LYS 3 18.701 7.743 2.993 33 HD2 LYS 3 1HD LYS 3 19.737 6.113 4.790 34 HD3 LYS 3 2HD LYS 3 19.881 7.603 5.726 35 HE2 LYS 3 1HE LYS 3 17.307 7.631 4.608 36 HE3 LYS 3 2HE LYS 3 17.559 5.990 5.201 37 HZ1 LYS 3 3HZ LYS 3 17.180 8.425 6.671 38 HZ2 LYS 3 1HZ LYS 3 18.516 7.537 7.211 39 HZ3 LYS 3 2HZ LYS 3 16.984 6.821 7.170 40 H LYS 4 H LYS 4 24.047 7.911 4.344 41 HA LYS 4 HA LYS 4 25.995 7.711 2.386 42 HB2 LYS 4 1HB LYS 4 25.774 6.315 5.055 43 HB3 LYS 4 2HB LYS 4 27.219 6.266 4.053 44 HG2 LYS 4 1HG LYS 4 26.866 8.912 4.160 45 HG3 LYS 4 2HG LYS 4 26.115 8.460 5.692 46 HD2 LYS 4 1HD LYS 4 28.345 6.982 5.845 47 HD3 LYS 4 2HD LYS 4 28.944 8.303 4.838 48 HE2 LYS 4 1HE LYS 4 28.449 9.915 6.485 49 HE3 LYS 4 2HE LYS 4 27.442 8.791 7.394 50 HZ1 LYS 4 3HZ LYS 4 30.134 7.863 7.079 51 HZ2 LYS 4 1HZ LYS 4 29.200 8.008 8.483 52 HZ3 LYS 4 2HZ LYS 4 30.054 9.344 7.893 53 H ASP 5 H ASP 5 23.595 5.388 3.385 54 HA ASP 5 HA ASP 5 24.650 3.503 1.379 55 HB2 ASP 5 1HB ASP 5 24.794 2.752 3.805 56 HB3 ASP 5 2HB ASP 5 23.034 2.709 3.801 57 H LYS 6 H LYS 6 23.328 3.006 -0.245 58 HA LYS 6 HA LYS 6 20.692 4.173 -0.335 59 HB2 LYS 6 1HB LYS 6 22.632 3.387 -2.228 60 HB3 LYS 6 2HB LYS 6 21.215 2.391 -2.531 61 HG2 LYS 6 1HG LYS 6 21.123 4.380 -3.883 62 HG3 LYS 6 2HG LYS 6 19.840 4.425 -2.671 63 HD2 LYS 6 1HD LYS 6 20.846 6.600 -2.789 64 HD3 LYS 6 2HD LYS 6 21.316 5.855 -1.260 65 HE2 LYS 6 1HE LYS 6 23.203 5.200 -3.334 66 HE3 LYS 6 2HE LYS 6 22.996 6.948 -3.214 67 HZ1 LYS 6 3HZ LYS 6 23.291 6.552 -0.713 68 HZ2 LYS 6 1HZ LYS 6 24.665 6.487 -1.698 69 HZ3 LYS 6 2HZ LYS 6 23.944 5.056 -1.158 70 H TRP 7 H TRP 7 22.091 0.965 -0.034 71 HA TRP 7 HA TRP 7 19.831 -0.593 -0.496 72 HB2 TRP 7 2HB TRP 7 22.338 -0.962 1.086 73 HB3 TRP 7 3HB TRP 7 21.033 -2.125 1.301 74 HD1 TRP 7 1HD TRP 7 23.651 -0.992 -1.219 75 HE1 TRP 7 1HE TRP 7 23.749 -2.697 -3.145 76 HE3 TRP 7 3HE TRP 7 19.576 -3.828 0.000 77 HZ2 TRP 7 2HZ TRP 7 22.292 -4.946 -4.030 78 HZ3 TRP 7 3HZ TRP 7 18.996 -5.738 -1.438 79 HH2 TRP 7 2HH TRP 7 20.326 -6.284 -3.412 80 H ALA 8 H ALA 8 20.944 0.955 2.491 81 HA ALA 8 HA ALA 8 19.088 -0.109 4.264 82 HB1 ALA 8 3HB ALA 8 19.634 2.693 4.794 83 HB2 ALA 8 1HB ALA 8 20.067 1.259 5.726 84 HB3 ALA 8 2HB ALA 8 21.093 1.787 4.390 85 H SER 9 H SER 9 18.761 2.517 1.954 86 HA SER 9 HA SER 9 16.244 3.440 2.933 87 HB2 SER 9 1HB SER 9 18.007 4.029 0.636 88 HB3 SER 9 2HB SER 9 16.289 4.314 0.360 89 HG SER 9 HG SER 9 18.026 5.527 2.205 90 H LEU 10 H LEU 10 17.258 1.219 0.383 91 HA LEU 10 HA LEU 10 14.784 0.807 -0.841 92 HB2 LEU 10 1HB LEU 10 17.254 -0.069 -1.326 93 HB3 LEU 10 2HB LEU 10 16.612 -1.509 -0.539 94 HG LEU 10 HG LEU 10 14.937 -0.399 -2.692 95 HD11 LEU 10 1HD1 LEU 10 17.767 -0.986 -3.111 96 HD12 LEU 10 2HD1 LEU 10 16.615 -0.140 -4.144 97 HD13 LEU 10 3HD1 LEU 10 16.684 -1.902 -4.159 98 HD21 LEU 10 3HD2 LEU 10 15.958 -3.175 -2.106 99 HD22 LEU 10 1HD2 LEU 10 14.662 -2.741 -3.220 100 HD23 LEU 10 2HD2 LEU 10 14.453 -2.496 -1.485 101 H TRP 11 H TRP 11 16.166 -0.581 2.071 102 HA TRP 11 HA TRP 11 14.411 -2.711 2.461 103 HB2 TRP 11 2HB TRP 11 15.977 -0.977 4.355 104 HB3 TRP 11 3HB TRP 11 14.913 -2.244 4.959 105 HD1 TRP 11 1HD TRP 11 16.962 -2.794 1.776 106 HE1 TRP 11 1HE TRP 11 18.719 -4.618 2.234 107 HE3 TRP 11 3HE TRP 11 16.295 -3.318 6.819 108 HZ2 TRP 11 2HZ TRP 11 19.694 -6.085 4.439 109 HZ3 TRP 11 3HZ TRP 11 17.680 -4.955 8.027 110 HH2 TRP 11 2HH TRP 11 19.343 -6.309 6.860 111 H ASN 12 H ASN 12 14.062 0.711 3.223 112 HA ASN 12 HA ASN 12 11.676 0.463 4.731 113 HB2 ASN 12 1HB ASN 12 13.301 2.638 3.620 114 HB3 ASN 12 2HB ASN 12 11.578 3.001 3.668 115 HD21 ASN 12 2HD2 ASN 12 11.645 4.483 5.283 116 HD22 ASN 12 1HD2 ASN 12 12.074 4.106 6.914 117 H TRP 13 H TRP 13 12.352 0.856 1.309 118 HA TRP 13 HA TRP 13 9.798 1.538 0.410 119 HB2 TRP 13 2HB TRP 13 11.936 1.530 -0.938 120 HB3 TRP 13 3HB TRP 13 11.755 -0.216 -1.079 121 HD1 TRP 13 1HD TRP 13 10.071 3.055 -2.202 122 HE1 TRP 13 1HE TRP 13 8.620 2.552 -4.267 123 HE3 TRP 13 3HE TRP 13 10.537 -2.035 -2.300 124 HZ2 TRP 13 2HZ TRP 13 7.783 0.295 -5.742 125 HZ3 TRP 13 3HZ TRP 13 9.380 -3.292 -4.069 126 HH2 TRP 13 2HH TRP 13 8.031 -2.150 -5.754 127 H PHE 14 H PHE 14 11.015 -1.433 1.640 128 HA PHE 14 HA PHE 14 9.447 -3.342 0.417 129 HB2 PHE 14 2HB PHE 14 11.243 -3.731 2.142 130 HB3 PHE 14 3HB PHE 14 10.065 -3.293 3.374 131 HD1 PHE 14 1HD PHE 14 9.718 -5.367 0.302 132 HD2 PHE 14 2HD PHE 14 9.581 -5.214 4.554 133 HE1 PHE 14 1HE PHE 14 8.918 -7.693 0.356 134 HE2 PHE 14 2HE PHE 14 8.781 -7.540 4.615 135 HZ PHE 14 HZ PHE 14 8.449 -8.783 2.513 136 H ASP 15 H ASP 15 8.647 -1.623 3.439 137 HA ASP 15 HA ASP 15 6.057 -2.605 3.724 138 HB2 ASP 15 1HB ASP 15 7.244 -1.394 5.502 139 HB3 ASP 15 2HB ASP 15 7.129 0.096 4.568 140 H ILE 16 H ILE 16 7.260 0.149 1.885 141 HA ILE 16 HA ILE 16 4.721 1.213 1.207 142 HB ILE 16 HB ILE 16 7.435 1.527 -0.065 143 HG12 ILE 16 1HG1 ILE 16 6.975 3.923 0.825 144 HG13 ILE 16 2HG1 ILE 16 5.733 3.153 1.806 145 HG21 ILE 16 1HG2 ILE 16 6.075 3.600 -1.074 146 HG22 ILE 16 2HG2 ILE 16 6.245 2.059 -1.915 147 HG23 ILE 16 3HG2 ILE 16 4.776 2.409 -1.004 148 HD11 ILE 16 3HD1 ILE 16 7.962 3.501 2.908 149 HD12 ILE 16 1HD1 ILE 16 7.325 1.858 2.967 150 HD13 ILE 16 2HD1 ILE 16 8.601 2.269 1.819 151 H THR 17 H THR 17 6.694 -1.328 -0.118 152 HA THR 17 HA THR 17 5.712 -1.535 -2.699 153 HB THR 17 HB THR 17 6.165 -4.040 -1.127 154 HG1 THR 17 1HG THR 17 8.503 -3.533 -1.566 155 HG21 THR 17 3HG2 THR 17 7.602 -4.413 -3.262 156 HG22 THR 17 1HG2 THR 17 6.689 -3.049 -3.906 157 HG23 THR 17 2HG2 THR 17 5.845 -4.506 -3.380 158 H ASN 18 H ASN 18 4.436 -3.045 0.262 159 HA ASN 18 HA ASN 18 2.127 -4.068 -1.146 160 HB2 ASN 18 1HB ASN 18 3.055 -5.422 0.632 161 HB3 ASN 18 2HB ASN 18 2.886 -4.099 1.782 162 HD21 ASN 18 2HD2 ASN 18 1.082 -6.304 -0.285 163 HD22 ASN 18 1HD2 ASN 18 -0.354 -6.318 0.676 164 H TRP 19 H TRP 19 2.952 -1.328 0.830 165 HA TRP 19 HA TRP 19 0.478 -0.499 1.744 166 HB2 TRP 19 2HB TRP 19 2.584 0.596 2.370 167 HB3 TRP 19 3HB TRP 19 2.747 1.232 0.736 168 HD1 TRP 19 1HD TRP 19 -0.081 1.381 3.411 169 HE1 TRP 19 1HE TRP 19 -0.931 3.808 3.516 170 HE3 TRP 19 3HE TRP 19 2.971 3.461 -0.124 171 HZ2 TRP 19 2HZ TRP 19 -0.380 6.278 2.265 172 HZ3 TRP 19 3HZ TRP 19 2.745 5.862 -0.611 173 HH2 TRP 19 2HH TRP 19 1.104 7.240 0.559 174 H LEU 20 H LEU 20 2.017 0.248 -1.375 175 HA LEU 20 HA LEU 20 -0.052 1.844 -2.395 176 HB2 LEU 20 1HB LEU 20 2.353 0.561 -3.394 177 HB3 LEU 20 2HB LEU 20 1.064 0.585 -4.595 178 HG LEU 20 HG LEU 20 1.127 3.176 -3.572 179 HD11 LEU 20 1HD1 LEU 20 3.901 2.809 -4.420 180 HD12 LEU 20 2HD1 LEU 20 3.527 2.108 -2.846 181 HD13 LEU 20 3HD1 LEU 20 3.225 3.820 -3.143 182 HD21 LEU 20 3HD2 LEU 20 2.660 2.562 -6.030 183 HD22 LEU 20 1HD2 LEU 20 1.371 3.736 -5.755 184 HD23 LEU 20 2HD2 LEU 20 0.977 2.030 -5.977 185 H TRP 21 H TRP 21 0.281 -1.593 -2.110 186 HA TRP 21 HA TRP 21 -1.808 -2.195 -4.009 187 HB2 TRP 21 2HB TRP 21 0.264 -3.644 -2.781 188 HB3 TRP 21 3HB TRP 21 -1.232 -4.360 -2.187 189 HD1 TRP 21 1HD TRP 21 0.726 -3.790 -5.435 190 HE1 TRP 21 1HE TRP 21 -0.174 -5.406 -7.226 191 HE3 TRP 21 3HE TRP 21 -3.268 -5.694 -2.875 192 HZ2 TRP 21 2HZ TRP 21 -2.297 -7.243 -7.514 193 HZ3 TRP 21 3HZ TRP 21 -4.684 -7.375 -3.979 194 HH2 TRP 21 2HH TRP 21 -4.208 -8.133 -6.251 195 H TYR 22 H TYR 22 -1.532 -1.609 -0.599 196 HA TYR 22 HA TYR 22 -4.077 -2.753 0.086 197 HB2 TYR 22 2HB TYR 22 -2.241 -2.611 1.725 198 HB3 TYR 22 3HB TYR 22 -2.316 -0.854 1.652 199 HD1 TYR 22 1HD TYR 22 -4.316 0.331 2.543 200 HD2 TYR 22 2HD TYR 22 -3.774 -3.859 3.051 201 HE1 TYR 22 1HE TYR 22 -6.000 0.336 4.335 202 HE2 TYR 22 2HE TYR 22 -5.458 -3.865 4.844 203 HH TYR 22 HH TYR 22 -6.746 -0.924 6.164 204 H ILE 23 H ILE 23 -2.827 0.478 -0.583 205 HA ILE 23 HA ILE 23 -5.127 1.929 0.138 206 HB ILE 23 HB ILE 23 -4.234 3.736 -1.270 207 HG12 ILE 23 1HG1 ILE 23 -2.050 1.793 -2.039 208 HG13 ILE 23 2HG1 ILE 23 -3.405 2.198 -3.085 209 HG21 ILE 23 1HG2 ILE 23 -3.120 2.666 1.006 210 HG22 ILE 23 2HG2 ILE 23 -1.733 2.863 -0.064 211 HG23 ILE 23 3HG2 ILE 23 -2.753 4.249 0.321 212 HD11 ILE 23 3HD1 ILE 23 -1.209 3.417 -3.468 213 HD12 ILE 23 1HD1 ILE 23 -2.672 4.396 -3.368 214 HD13 ILE 23 2HD1 ILE 23 -1.578 4.301 -1.987 215 H LYS 24 H LYS 24 -4.363 0.032 -2.655 216 HA LYS 24 HA LYS 24 -6.325 1.190 -4.388 217 HB2 LYS 24 1HB LYS 24 -4.717 -1.357 -4.482 218 HB3 LYS 24 2HB LYS 24 -5.921 -0.968 -5.704 219 HG2 LYS 24 1HG LYS 24 -4.714 1.030 -6.316 220 HG3 LYS 24 2HG LYS 24 -3.545 0.752 -5.022 221 HD2 LYS 24 1HD LYS 24 -3.310 -1.585 -6.271 222 HD3 LYS 24 2HD LYS 24 -3.852 -0.613 -7.642 223 HE2 LYS 24 1HE LYS 24 -1.766 0.656 -6.029 224 HE3 LYS 24 2HE LYS 24 -1.263 -0.854 -6.788 225 HZ1 LYS 24 3HZ LYS 24 -2.088 0.062 -8.919 226 HZ2 LYS 24 1HZ LYS 24 -0.793 0.937 -8.268 227 HZ3 LYS 24 2HZ LYS 24 -2.369 1.540 -8.148 228 H LEU 25 H LEU 25 -6.148 -1.985 -2.764 229 HA LEU 25 HA LEU 25 -8.802 -2.724 -3.333 230 HB2 LEU 25 1HB LEU 25 -8.480 -4.362 -1.465 231 HB3 LEU 25 2HB LEU 25 -7.270 -4.423 -2.745 232 HG LEU 25 HG LEU 25 -6.084 -2.756 -0.938 233 HD11 LEU 25 1HD1 LEU 25 -7.130 -4.934 0.798 234 HD12 LEU 25 2HD1 LEU 25 -8.115 -3.492 0.557 235 HD13 LEU 25 3HD1 LEU 25 -6.493 -3.347 1.232 236 HD21 LEU 25 3HD2 LEU 25 -4.624 -4.596 -0.471 237 HD22 LEU 25 1HD2 LEU 25 -5.136 -4.711 -2.155 238 HD23 LEU 25 2HD2 LEU 25 -5.863 -5.762 -0.938 239 H PHE 26 H PHE 26 -7.359 -1.005 -0.618 240 HA PHE 26 HA PHE 26 -9.440 -1.038 1.194 241 HB2 PHE 26 2HB PHE 26 -7.313 -0.076 1.790 242 HB3 PHE 26 3HB PHE 26 -7.482 1.176 0.563 243 HD1 PHE 26 1HD PHE 26 -9.499 -0.140 3.419 244 HD2 PHE 26 2HD PHE 26 -7.963 3.259 1.369 245 HE1 PHE 26 1HE PHE 26 -10.555 1.335 5.081 246 HE2 PHE 26 2HE PHE 26 -9.017 4.740 3.027 247 HZ PHE 26 HZ PHE 26 -10.314 3.778 4.887 248 H ILE 27 H ILE 27 -8.818 1.590 -1.142 249 HA ILE 27 HA ILE 27 -11.211 2.956 -0.749 250 HB ILE 27 HB ILE 27 -9.593 2.785 -3.295 251 HG12 ILE 27 1HG1 ILE 27 -8.292 3.528 -1.327 252 HG13 ILE 27 2HG1 ILE 27 -8.496 4.816 -2.510 253 HG21 ILE 27 1HG2 ILE 27 -11.327 3.907 -4.155 254 HG22 ILE 27 2HG2 ILE 27 -12.009 4.255 -2.566 255 HG23 ILE 27 3HG2 ILE 27 -10.723 5.272 -3.215 256 HD11 ILE 27 3HD1 ILE 27 -8.775 5.671 -0.273 257 HD12 ILE 27 1HD1 ILE 27 -10.305 5.753 -1.146 258 HD13 ILE 27 2HD1 ILE 27 -10.039 4.485 0.051 259 H MET 28 H MET 28 -10.503 0.140 -2.692 260 HA MET 28 HA MET 28 -12.844 0.189 -4.287 261 HB2 MET 28 1HB MET 28 -10.796 -1.140 -4.798 262 HB3 MET 28 2HB MET 28 -11.207 -2.216 -3.469 263 HG2 MET 28 1HG MET 28 -13.494 -2.014 -5.104 264 HG3 MET 28 2HG MET 28 -12.111 -2.265 -6.168 265 HE1 MET 28 3HE MET 28 -14.194 -5.291 -3.562 266 HE2 MET 28 1HE MET 28 -13.838 -3.725 -2.831 267 HE3 MET 28 2HE MET 28 -14.797 -3.810 -4.310 268 H ILE 29 H ILE 29 -12.070 -1.252 -1.161 269 HA ILE 29 HA ILE 29 -14.571 -2.628 -0.918 270 HB ILE 29 HB ILE 29 -12.542 -1.936 1.211 271 HG12 ILE 29 1HG1 ILE 29 -12.786 -4.720 0.338 272 HG13 ILE 29 2HG1 ILE 29 -12.244 -3.638 -0.941 273 HG21 ILE 29 1HG2 ILE 29 -14.866 -3.856 1.239 274 HG22 ILE 29 2HG2 ILE 29 -13.622 -3.760 2.485 275 HG23 ILE 29 3HG2 ILE 29 -14.694 -2.388 2.201 276 HD11 ILE 29 3HD1 ILE 29 -10.238 -4.192 -0.057 277 HD12 ILE 29 1HD1 ILE 29 -10.614 -2.811 0.975 278 HD13 ILE 29 2HD1 ILE 29 -10.893 -4.453 1.559 279 H VAL 30 H VAL 30 -13.297 0.479 0.110 280 HA VAL 30 HA VAL 30 -15.291 1.199 1.939 281 HB VAL 30 HB VAL 30 -13.768 3.047 0.098 282 HG11 VAL 30 1HG1 VAL 30 -15.305 4.458 1.007 283 HG12 VAL 30 2HG1 VAL 30 -15.539 3.459 2.442 284 HG13 VAL 30 3HG1 VAL 30 -14.110 4.484 2.303 285 HG21 VAL 30 3HG2 VAL 30 -12.873 1.381 2.260 286 HG22 VAL 30 1HG2 VAL 30 -11.939 2.438 1.202 287 HG23 VAL 30 2HG2 VAL 30 -12.665 3.081 2.675 288 H GLY 31 H GLY 31 -15.097 1.671 -1.573 289 HA2 GLY 31 1HA GLY 31 -17.401 3.216 -1.905 290 HA3 GLY 31 2HA GLY 31 -16.713 2.157 -3.127 291 H LYS 32 H LYS 32 -17.051 -0.199 -1.329 292 HA LYS 32 HA LYS 32 -19.594 -1.017 -2.263 293 HB2 LYS 32 1HB LYS 32 -17.885 -2.274 -0.109 294 HB3 LYS 32 2HB LYS 32 -19.205 -3.055 -0.970 295 HG2 LYS 32 1HG LYS 32 -16.990 -1.934 -2.589 296 HG3 LYS 32 2HG LYS 32 -16.666 -3.392 -1.648 297 HD2 LYS 32 1HD LYS 32 -19.200 -3.500 -3.086 298 HD3 LYS 32 2HD LYS 32 -17.807 -3.304 -4.153 299 HE2 LYS 32 1HE LYS 32 -16.734 -5.230 -2.988 300 HE3 LYS 32 2HE LYS 32 -18.236 -5.465 -2.094 301 HZ1 LYS 32 3HZ LYS 32 -19.365 -6.094 -4.004 302 HZ2 LYS 32 1HZ LYS 32 -17.857 -6.834 -4.200 303 HZ3 LYS 32 2HZ LYS 32 -18.218 -5.415 -5.046 304 H LYS 33 H LYS 33 -18.415 -0.215 0.997 305 HA LYS 33 HA LYS 33 -20.931 -0.550 2.261 306 HB2 LYS 33 1HB LYS 33 -18.523 1.051 3.144 307 HB3 LYS 33 2HB LYS 33 -19.888 0.624 4.166 308 HG2 LYS 33 1HG LYS 33 -17.943 -1.287 2.888 309 HG3 LYS 33 2HG LYS 33 -18.026 -0.850 4.597 310 HD2 LYS 33 1HD LYS 33 -20.598 -1.677 3.998 311 HD3 LYS 33 2HD LYS 33 -19.575 -2.797 3.094 312 HE2 LYS 33 1HE LYS 33 -19.959 -3.734 5.259 313 HE3 LYS 33 2HE LYS 33 -18.284 -3.191 5.194 314 HZ1 LYS 33 3HZ LYS 33 -20.150 -1.221 6.184 315 HZ2 LYS 33 1HZ LYS 33 -18.632 -1.672 6.780 316 HZ3 LYS 33 2HZ LYS 33 -20.000 -2.590 7.164 317 H LYS 34 H LYS 34 -19.140 2.363 1.267 318 HA LYS 34 HA LYS 34 -21.027 4.257 2.039 319 HB2 LYS 34 1HB LYS 34 -18.654 4.655 1.228 320 HB3 LYS 34 2HB LYS 34 -19.278 4.491 -0.409 321 HG2 LYS 34 1HG LYS 34 -19.222 6.790 -0.030 322 HG3 LYS 34 2HG LYS 34 -20.914 6.346 0.211 323 HD2 LYS 34 1HD LYS 34 -20.814 7.307 2.214 324 HD3 LYS 34 2HD LYS 34 -19.687 6.042 2.712 325 HE2 LYS 34 1HE LYS 34 -18.470 7.941 3.169 326 HE3 LYS 34 2HE LYS 34 -17.916 7.559 1.539 327 HZ1 LYS 34 3HZ LYS 34 -18.388 9.773 1.344 328 HZ2 LYS 34 1HZ LYS 34 -19.672 9.729 2.444 329 HZ3 LYS 34 2HZ LYS 34 -19.878 9.120 0.880 330 H LYS 35 H LYS 35 -20.997 2.092 -0.665 331 HA LYS 35 HA LYS 35 -22.477 1.683 -2.344 332 HB2 LYS 35 1HB LYS 35 -24.433 3.219 -0.628 333 HB3 LYS 35 2HB LYS 35 -24.825 2.052 -1.884 334 HG2 LYS 35 1HG LYS 35 -23.140 0.710 -0.094 335 HG3 LYS 35 2HG LYS 35 -24.282 1.621 0.897 336 HD2 LYS 35 1HD LYS 35 -25.274 0.039 -1.438 337 HD3 LYS 35 2HD LYS 35 -24.890 -0.781 0.077 338 HE2 LYS 35 1HE LYS 35 -26.482 0.530 1.274 339 HE3 LYS 35 2HE LYS 35 -26.727 1.599 -0.106 340 HZ1 LYS 35 3HZ LYS 35 -27.888 -0.039 -1.260 341 HZ2 LYS 35 1HZ LYS 35 -28.466 -0.183 0.324 342 HZ3 LYS 35 2HZ LYS 35 -27.331 -1.289 -0.266 343 H LYS 36 H LYS 36 -21.351 3.017 -3.824 344 HA LYS 36 HA LYS 36 -21.653 5.759 -4.149 345 HB2 LYS 36 1HB LYS 36 -19.932 4.581 -5.342 346 HB3 LYS 36 2HB LYS 36 -21.118 3.595 -6.187 347 HG2 LYS 36 1HG LYS 36 -20.166 5.344 -7.614 348 HG3 LYS 36 2HG LYS 36 -21.909 5.527 -7.407 349 HD2 LYS 36 1HD LYS 36 -21.664 7.366 -5.989 350 HD3 LYS 36 2HD LYS 36 -19.977 6.989 -5.639 351 HE2 LYS 36 1HE LYS 36 -20.065 8.897 -7.100 352 HE3 LYS 36 2HE LYS 36 -19.419 7.522 -7.994 353 HZ1 LYS 36 3HZ LYS 36 -22.137 8.686 -8.175 354 HZ2 LYS 36 1HZ LYS 36 -21.747 7.174 -8.827 355 HZ3 LYS 36 2HZ LYS 36 -20.974 8.567 -9.397 Start of MODEL 5 1 H1 LYS 1 H LYS 1 21.360 12.459 10.430 2 HA LYS 1 HA LYS 1 20.411 14.555 9.333 3 HB2 LYS 1 1HB LYS 1 22.669 15.227 8.350 4 HB3 LYS 1 2HB LYS 1 22.646 14.767 10.047 5 HG2 LYS 1 1HG LYS 1 23.846 12.869 9.696 6 HG3 LYS 1 2HG LYS 1 23.228 12.646 8.058 7 HD2 LYS 1 1HD LYS 1 25.246 13.386 7.411 8 HD3 LYS 1 2HD LYS 1 24.622 14.984 7.824 9 HE2 LYS 1 1HE LYS 1 25.745 15.039 9.849 10 HE3 LYS 1 2HE LYS 1 25.897 13.284 9.928 11 HZ1 LYS 1 3HZ LYS 1 27.244 14.192 7.646 12 HZ2 LYS 1 1HZ LYS 1 27.892 13.449 9.020 13 HZ3 LYS 1 2HZ LYS 1 27.752 15.133 8.956 14 H LYS 2 H LYS 2 18.814 13.952 7.789 15 HA LYS 2 HA LYS 2 17.936 13.732 5.702 16 HB2 LYS 2 1HB LYS 2 19.015 15.825 5.253 17 HB3 LYS 2 2HB LYS 2 20.573 15.040 5.032 18 HG2 LYS 2 1HG LYS 2 19.575 15.723 2.908 19 HG3 LYS 2 2HG LYS 2 19.780 13.972 3.006 20 HD2 LYS 2 1HD LYS 2 17.506 13.590 3.223 21 HD3 LYS 2 2HD LYS 2 17.185 15.221 3.817 22 HE2 LYS 2 1HE LYS 2 18.259 15.562 1.261 23 HE3 LYS 2 2HE LYS 2 17.145 14.203 1.117 24 HZ1 LYS 2 3HZ LYS 2 16.492 16.872 1.142 25 HZ2 LYS 2 1HZ LYS 2 16.009 16.302 2.659 26 HZ3 LYS 2 2HZ LYS 2 15.421 15.568 1.254 27 H LYS 3 H LYS 3 17.825 11.499 5.592 28 HA LYS 3 HA LYS 3 18.210 9.426 4.739 29 HB2 LYS 3 1HB LYS 3 19.399 11.275 2.799 30 HB3 LYS 3 2HB LYS 3 20.091 9.659 2.747 31 HG2 LYS 3 1HG LYS 3 18.134 8.691 2.055 32 HG3 LYS 3 2HG LYS 3 17.129 9.950 2.779 33 HD2 LYS 3 1HD LYS 3 17.872 11.524 1.047 34 HD3 LYS 3 2HD LYS 3 18.853 10.250 0.320 35 HE2 LYS 3 1HE LYS 3 16.138 9.363 0.705 36 HE3 LYS 3 2HE LYS 3 16.180 10.859 -0.226 37 HZ1 LYS 3 3HZ LYS 3 18.141 8.915 -1.046 38 HZ2 LYS 3 1HZ LYS 3 17.062 9.826 -1.979 39 HZ3 LYS 3 2HZ LYS 3 16.545 8.392 -1.246 40 H LYS 4 H LYS 4 19.202 8.369 6.386 41 HA LYS 4 HA LYS 4 21.856 8.802 7.236 42 HB2 LYS 4 1HB LYS 4 19.768 6.741 7.719 43 HB3 LYS 4 2HB LYS 4 21.428 6.307 8.107 44 HG2 LYS 4 1HG LYS 4 21.407 8.607 9.364 45 HG3 LYS 4 2HG LYS 4 19.660 8.354 9.348 46 HD2 LYS 4 1HD LYS 4 19.842 6.950 11.062 47 HD3 LYS 4 2HD LYS 4 20.905 5.913 10.108 48 HE2 LYS 4 1HE LYS 4 22.821 6.850 10.978 49 HE3 LYS 4 2HE LYS 4 22.021 8.369 11.380 50 HZ1 LYS 4 3HZ LYS 4 20.934 6.146 12.815 51 HZ2 LYS 4 1HZ LYS 4 21.513 7.626 13.398 52 HZ3 LYS 4 2HZ LYS 4 22.587 6.349 13.117 53 H ASP 5 H ASP 5 20.495 6.048 5.417 54 HA ASP 5 HA ASP 5 23.067 5.806 4.019 55 HB2 ASP 5 1HB ASP 5 21.559 3.347 4.852 56 HB3 ASP 5 2HB ASP 5 23.252 3.506 4.395 57 H LYS 6 H LYS 6 22.825 4.210 2.124 58 HA LYS 6 HA LYS 6 20.578 5.117 0.549 59 HB2 LYS 6 1HB LYS 6 23.220 4.066 0.042 60 HB3 LYS 6 2HB LYS 6 22.023 3.204 -0.917 61 HG2 LYS 6 1HG LYS 6 22.890 5.055 -2.180 62 HG3 LYS 6 2HG LYS 6 21.198 5.360 -1.777 63 HD2 LYS 6 1HD LYS 6 21.908 7.353 -1.046 64 HD3 LYS 6 2HD LYS 6 22.537 6.473 0.348 65 HE2 LYS 6 1HE LYS 6 24.367 7.710 -0.388 66 HE3 LYS 6 2HE LYS 6 24.639 6.116 -1.090 67 HZ1 LYS 6 3HZ LYS 6 23.187 7.387 -2.988 68 HZ2 LYS 6 1HZ LYS 6 24.871 7.219 -2.996 69 HZ3 LYS 6 2HZ LYS 6 24.164 8.632 -2.391 70 H TRP 7 H TRP 7 21.697 2.125 2.014 71 HA TRP 7 HA TRP 7 19.738 0.465 0.764 72 HB2 TRP 7 2HB TRP 7 20.460 -1.233 2.408 73 HB3 TRP 7 3HB TRP 7 21.826 -0.486 1.585 74 HD1 TRP 7 1HD TRP 7 20.111 -0.627 5.011 75 HE1 TRP 7 1HE TRP 7 21.759 0.242 6.787 76 HE3 TRP 7 3HE TRP 7 23.842 1.008 1.923 77 HZ2 TRP 7 2HZ TRP 7 24.304 1.460 6.868 78 HZ3 TRP 7 3HZ TRP 7 25.850 2.013 2.930 79 HH2 TRP 7 2HH TRP 7 26.074 2.234 5.351 80 H ALA 8 H ALA 8 19.867 2.385 3.673 81 HA ALA 8 HA ALA 8 17.795 1.261 5.146 82 HB1 ALA 8 3HB ALA 8 19.418 3.499 5.365 83 HB2 ALA 8 1HB ALA 8 17.779 4.149 5.311 84 HB3 ALA 8 2HB ALA 8 18.214 2.951 6.531 85 H SER 9 H SER 9 17.668 3.728 2.600 86 HA SER 9 HA SER 9 14.838 4.067 2.763 87 HB2 SER 9 1HB SER 9 15.772 5.938 1.816 88 HB3 SER 9 2HB SER 9 17.014 5.020 0.965 89 HG SER 9 HG SER 9 15.617 4.576 -0.634 90 H LEU 10 H LEU 10 16.996 2.049 0.877 91 HA LEU 10 HA LEU 10 15.127 1.185 -1.054 92 HB2 LEU 10 1HB LEU 10 17.713 0.934 -0.945 93 HB3 LEU 10 2HB LEU 10 17.353 -0.555 -0.074 94 HG LEU 10 HG LEU 10 16.059 -0.105 -2.720 95 HD11 LEU 10 1HD1 LEU 10 17.910 -0.263 -3.952 96 HD12 LEU 10 2HD1 LEU 10 18.604 -1.500 -2.906 97 HD13 LEU 10 3HD1 LEU 10 18.784 0.205 -2.494 98 HD21 LEU 10 3HD2 LEU 10 15.449 -2.048 -1.404 99 HD22 LEU 10 1HD2 LEU 10 17.144 -2.522 -1.277 100 HD23 LEU 10 2HD2 LEU 10 16.336 -2.545 -2.846 101 H TRP 11 H TRP 11 16.308 -0.448 1.890 102 HA TRP 11 HA TRP 11 14.631 -2.660 1.786 103 HB2 TRP 11 2HB TRP 11 16.004 -1.223 4.033 104 HB3 TRP 11 3HB TRP 11 14.908 -2.556 4.382 105 HD1 TRP 11 1HD TRP 11 17.258 -2.587 1.347 106 HE1 TRP 11 1HE TRP 11 18.956 -4.497 1.652 107 HE3 TRP 11 3HE TRP 11 16.046 -3.999 6.108 108 HZ2 TRP 11 2HZ TRP 11 19.685 -6.357 3.646 109 HZ3 TRP 11 3HZ TRP 11 17.290 -5.853 7.142 110 HH2 TRP 11 2HH TRP 11 19.071 -7.006 5.934 111 H ASN 12 H ASN 12 13.963 0.612 2.749 112 HA ASN 12 HA ASN 12 11.591 0.119 4.215 113 HB2 ASN 12 1HB ASN 12 12.974 2.467 3.089 114 HB3 ASN 12 2HB ASN 12 11.228 2.639 3.235 115 HD21 ASN 12 2HD2 ASN 12 13.369 3.990 4.675 116 HD22 ASN 12 1HD2 ASN 12 13.092 3.672 6.352 117 H TRP 13 H TRP 13 12.301 0.357 0.824 118 HA TRP 13 HA TRP 13 9.767 0.949 -0.193 119 HB2 TRP 13 2HB TRP 13 11.941 0.848 -1.480 120 HB3 TRP 13 3HB TRP 13 11.771 -0.905 -1.486 121 HD1 TRP 13 1HD TRP 13 10.103 2.257 -2.909 122 HE1 TRP 13 1HE TRP 13 8.710 1.582 -4.965 123 HE3 TRP 13 3HE TRP 13 10.594 -2.822 -2.589 124 HZ2 TRP 13 2HZ TRP 13 7.922 -0.790 -6.277 125 HZ3 TRP 13 3HZ TRP 13 9.489 -4.223 -4.284 126 HH2 TRP 13 2HH TRP 13 8.181 -3.226 -6.089 127 H PHE 14 H PHE 14 10.964 -1.907 1.300 128 HA PHE 14 HA PHE 14 9.439 -3.918 0.193 129 HB2 PHE 14 2HB PHE 14 11.129 -4.377 1.873 130 HB3 PHE 14 3HB PHE 14 10.198 -3.513 3.092 131 HD1 PHE 14 1HD PHE 14 9.163 -6.037 0.558 132 HD2 PHE 14 2HD PHE 14 9.559 -5.055 4.681 133 HE1 PHE 14 1HE PHE 14 8.022 -8.131 1.163 134 HE2 PHE 14 2HE PHE 14 8.420 -7.147 5.292 135 HZ PHE 14 HZ PHE 14 7.650 -8.690 3.533 136 H ASP 15 H ASP 15 8.551 -1.969 3.046 137 HA ASP 15 HA ASP 15 5.959 -2.943 3.340 138 HB2 ASP 15 1HB ASP 15 7.181 -1.537 5.004 139 HB3 ASP 15 2HB ASP 15 6.894 -0.138 3.973 140 H ILE 16 H ILE 16 7.197 -0.335 1.321 141 HA ILE 16 HA ILE 16 4.672 0.655 0.495 142 HB ILE 16 HB ILE 16 7.418 0.885 -0.726 143 HG12 ILE 16 1HG1 ILE 16 6.923 3.342 -0.042 144 HG13 ILE 16 2HG1 ILE 16 5.660 2.643 0.965 145 HG21 ILE 16 1HG2 ILE 16 4.781 1.671 -1.801 146 HG22 ILE 16 2HG2 ILE 16 6.074 2.863 -1.930 147 HG23 ILE 16 3HG2 ILE 16 6.274 1.262 -2.644 148 HD11 ILE 16 3HD1 ILE 16 7.858 3.092 2.094 149 HD12 ILE 16 1HD1 ILE 16 7.227 1.454 2.265 150 HD13 ILE 16 2HD1 ILE 16 8.530 1.782 1.123 151 H THR 17 H THR 17 6.692 -1.970 -0.572 152 HA THR 17 HA THR 17 5.781 -2.387 -3.154 153 HB THR 17 HB THR 17 6.202 -4.755 -1.376 154 HG1 THR 17 1HG THR 17 8.532 -4.304 -1.718 155 HG21 THR 17 3HG2 THR 17 7.694 -5.295 -3.435 156 HG22 THR 17 1HG2 THR 17 6.800 -3.987 -4.209 157 HG23 THR 17 2HG2 THR 17 5.941 -5.398 -3.593 158 H ASN 18 H ASN 18 4.471 -3.782 -0.144 159 HA ASN 18 HA ASN 18 2.194 -4.883 -1.523 160 HB2 ASN 18 1HB ASN 18 3.137 -6.067 0.394 161 HB3 ASN 18 2HB ASN 18 2.817 -4.680 1.431 162 HD21 ASN 18 2HD2 ASN 18 1.581 -7.530 0.067 163 HD22 ASN 18 1HD2 ASN 18 -0.028 -7.411 0.685 164 H TRP 19 H TRP 19 2.951 -1.990 0.239 165 HA TRP 19 HA TRP 19 0.465 -1.116 1.065 166 HB2 TRP 19 2HB TRP 19 2.509 0.083 1.620 167 HB3 TRP 19 3HB TRP 19 2.745 0.516 -0.070 168 HD1 TRP 19 1HD TRP 19 0.049 1.103 2.669 169 HE1 TRP 19 1HE TRP 19 -0.887 3.480 2.354 170 HE3 TRP 19 3HE TRP 19 2.678 2.463 -1.499 171 HZ2 TRP 19 2HZ TRP 19 -0.554 5.645 0.574 172 HZ3 TRP 19 3HZ TRP 19 2.310 4.705 -2.446 173 HH2 TRP 19 2HH TRP 19 0.726 6.261 -1.430 174 H LEU 20 H LEU 20 1.984 -0.698 -2.119 175 HA LEU 20 HA LEU 20 -0.013 0.834 -3.315 176 HB2 LEU 20 1HB LEU 20 2.270 -0.734 -4.173 177 HB3 LEU 20 2HB LEU 20 0.949 -0.802 -5.337 178 HG LEU 20 HG LEU 20 1.469 1.913 -4.468 179 HD11 LEU 20 1HD1 LEU 20 3.747 1.092 -4.167 180 HD12 LEU 20 2HD1 LEU 20 3.636 2.174 -5.553 181 HD13 LEU 20 3HD1 LEU 20 3.731 0.431 -5.802 182 HD21 LEU 20 3HD2 LEU 20 1.811 0.779 -7.222 183 HD22 LEU 20 1HD2 LEU 20 1.252 2.380 -6.740 184 HD23 LEU 20 2HD2 LEU 20 0.212 0.975 -6.505 185 H TRP 21 H TRP 21 0.147 -2.586 -2.665 186 HA TRP 21 HA TRP 21 -2.096 -3.233 -4.362 187 HB2 TRP 21 2HB TRP 21 -0.021 -4.686 -3.184 188 HB3 TRP 21 3HB TRP 21 -1.477 -5.235 -2.358 189 HD1 TRP 21 1HD TRP 21 0.064 -5.064 -5.882 190 HE1 TRP 21 1HE TRP 21 -1.085 -6.836 -7.353 191 HE3 TRP 21 3HE TRP 21 -3.543 -6.621 -2.610 192 HZ2 TRP 21 2HZ TRP 21 -3.235 -8.653 -7.154 193 HZ3 TRP 21 3HZ TRP 21 -5.106 -8.380 -3.328 194 HH2 TRP 21 2HH TRP 21 -4.955 -9.374 -5.553 195 H TYR 22 H TYR 22 -1.567 -2.313 -1.066 196 HA TYR 22 HA TYR 22 -4.117 -3.248 -0.113 197 HB2 TYR 22 2HB TYR 22 -2.093 -3.030 1.343 198 HB3 TYR 22 3HB TYR 22 -2.229 -1.282 1.194 199 HD1 TYR 22 2HD TYR 22 -4.221 -0.121 2.153 200 HD2 TYR 22 1HD TYR 22 -3.463 -4.249 2.853 201 HE1 TYR 22 2HE TYR 22 -5.771 -0.075 4.061 202 HE2 TYR 22 1HE TYR 22 -5.012 -4.215 4.763 203 HH TYR 22 HH TYR 22 -5.852 -2.115 6.415 204 H ILE 23 H ILE 23 -2.722 -0.165 -1.123 205 HA ILE 23 HA ILE 23 -4.876 1.488 -0.408 206 HB ILE 23 HB ILE 23 -3.976 3.107 -2.008 207 HG12 ILE 23 1HG1 ILE 23 -2.009 0.956 -2.807 208 HG13 ILE 23 2HG1 ILE 23 -3.419 1.395 -3.765 209 HG21 ILE 23 1HG2 ILE 23 -1.418 2.242 -1.004 210 HG22 ILE 23 2HG2 ILE 23 -2.408 3.617 -0.518 211 HG23 ILE 23 3HG2 ILE 23 -2.676 2.036 0.215 212 HD11 ILE 23 3HD1 ILE 23 -2.426 3.207 -4.595 213 HD12 ILE 23 1HD1 ILE 23 -1.742 3.666 -3.036 214 HD13 ILE 23 2HD1 ILE 23 -0.930 2.460 -4.035 215 H LYS 24 H LYS 24 -4.432 -0.700 -3.050 216 HA LYS 24 HA LYS 24 -6.420 0.424 -4.768 217 HB2 LYS 24 1HB LYS 24 -4.988 -2.222 -4.683 218 HB3 LYS 24 2HB LYS 24 -6.277 -1.915 -5.839 219 HG2 LYS 24 1HG LYS 24 -4.976 0.079 -6.620 220 HG3 LYS 24 2HG LYS 24 -3.647 -0.478 -5.602 221 HD2 LYS 24 1HD LYS 24 -3.572 -2.582 -6.832 222 HD3 LYS 24 2HD LYS 24 -4.930 -2.060 -7.830 223 HE2 LYS 24 1HE LYS 24 -2.699 -0.165 -7.754 224 HE3 LYS 24 2HE LYS 24 -2.287 -1.730 -8.452 225 HZ1 LYS 24 3HZ LYS 24 -3.088 -0.734 -10.298 226 HZ2 LYS 24 1HZ LYS 24 -4.093 0.328 -9.445 227 HZ3 LYS 24 2HZ LYS 24 -4.571 -1.275 -9.691 228 H LEU 25 H LEU 25 -6.377 -2.563 -2.814 229 HA LEU 25 HA LEU 25 -9.131 -3.100 -3.140 230 HB2 LEU 25 1HB LEU 25 -8.791 -4.614 -1.163 231 HB3 LEU 25 2HB LEU 25 -7.733 -4.900 -2.543 232 HG LEU 25 HG LEU 25 -6.232 -3.215 -0.982 233 HD11 LEU 25 1HD1 LEU 25 -8.018 -3.532 0.791 234 HD12 LEU 25 2HD1 LEU 25 -6.357 -3.880 1.271 235 HD13 LEU 25 3HD1 LEU 25 -7.464 -5.203 0.905 236 HD21 LEU 25 3HD2 LEU 25 -6.225 -6.225 -0.828 237 HD22 LEU 25 1HD2 LEU 25 -4.864 -5.132 -0.573 238 HD23 LEU 25 2HD2 LEU 25 -5.569 -5.300 -2.180 239 H PHE 26 H PHE 26 -7.301 -1.416 -0.631 240 HA PHE 26 HA PHE 26 -9.253 -1.091 1.292 241 HB2 PHE 26 2HB PHE 26 -6.981 -0.386 1.704 242 HB3 PHE 26 3HB PHE 26 -7.082 0.829 0.434 243 HD1 PHE 26 2HD PHE 26 -9.353 -0.047 3.258 244 HD2 PHE 26 1HD PHE 26 -6.940 2.915 1.383 245 HE1 PHE 26 2HE PHE 26 -10.108 1.610 4.912 246 HE2 PHE 26 1HE PHE 26 -7.691 4.577 3.034 247 HZ PHE 26 HZ PHE 26 -9.278 3.926 4.802 248 H ILE 27 H ILE 27 -8.443 1.342 -1.190 249 HA ILE 27 HA ILE 27 -10.648 2.990 -0.745 250 HB ILE 27 HB ILE 27 -9.151 2.577 -3.336 251 HG12 ILE 27 1HG1 ILE 27 -7.709 3.216 -1.429 252 HG13 ILE 27 2HG1 ILE 27 -7.803 4.486 -2.644 253 HG21 ILE 27 1HG2 ILE 27 -11.077 4.691 -2.421 254 HG22 ILE 27 2HG2 ILE 27 -9.917 4.974 -3.719 255 HG23 ILE 27 3HG2 ILE 27 -11.134 3.709 -3.885 256 HD11 ILE 27 3HD1 ILE 27 -9.849 4.856 -0.673 257 HD12 ILE 27 1HD1 ILE 27 -8.270 4.705 0.099 258 HD13 ILE 27 2HD1 ILE 27 -8.533 5.932 -1.141 259 H MET 28 H MET 28 -10.387 -0.005 -2.459 260 HA MET 28 HA MET 28 -12.758 0.293 -4.027 261 HB2 MET 28 1HB MET 28 -10.848 -1.271 -4.541 262 HB3 MET 28 2HB MET 28 -11.410 -2.285 -3.219 263 HG2 MET 28 1HG MET 28 -13.692 -2.049 -4.600 264 HG3 MET 28 2HG MET 28 -12.530 -1.884 -5.914 265 HE1 MET 28 3HE MET 28 -12.995 -5.568 -3.183 266 HE2 MET 28 1HE MET 28 -12.406 -4.024 -2.566 267 HE3 MET 28 2HE MET 28 -14.056 -4.157 -3.177 268 H ILE 29 H ILE 29 -12.006 -1.018 -0.858 269 HA ILE 29 HA ILE 29 -14.628 -2.148 -0.476 270 HB ILE 29 HB ILE 29 -12.424 -1.657 1.530 271 HG12 ILE 29 1HG1 ILE 29 -13.044 -4.409 0.741 272 HG13 ILE 29 2HG1 ILE 29 -12.436 -3.425 -0.586 273 HG21 ILE 29 1HG2 ILE 29 -14.051 -2.050 3.015 274 HG22 ILE 29 2HG2 ILE 29 -15.159 -2.648 1.781 275 HG23 ILE 29 3HG2 ILE 29 -13.947 -3.725 2.474 276 HD11 ILE 29 3HD1 ILE 29 -10.529 -2.788 0.943 277 HD12 ILE 29 1HD1 ILE 29 -11.088 -4.073 2.012 278 HD13 ILE 29 2HD1 ILE 29 -10.560 -4.457 0.373 279 H VAL 30 H VAL 30 -12.937 0.799 0.433 280 HA VAL 30 HA VAL 30 -14.715 1.795 2.336 281 HB VAL 30 HB VAL 30 -13.176 3.443 0.327 282 HG11 VAL 30 1HG1 VAL 30 -13.143 5.071 2.256 283 HG12 VAL 30 2HG1 VAL 30 -14.713 4.825 1.486 284 HG13 VAL 30 3HG1 VAL 30 -14.353 4.049 3.029 285 HG21 VAL 30 3HG2 VAL 30 -12.223 1.668 2.357 286 HG22 VAL 30 1HG2 VAL 30 -11.303 2.685 1.248 287 HG23 VAL 30 2HG2 VAL 30 -11.830 3.329 2.802 288 H GLY 31 H GLY 31 -14.685 2.258 -1.192 289 HA2 GLY 31 1HA GLY 31 -16.876 3.978 -1.377 290 HA3 GLY 31 2HA GLY 31 -16.342 2.889 -2.648 291 H LYS 32 H LYS 32 -16.768 0.451 -1.245 292 HA LYS 32 HA LYS 32 -19.479 -0.005 -1.859 293 HB2 LYS 32 1HB LYS 32 -17.608 -1.677 -0.170 294 HB3 LYS 32 2HB LYS 32 -19.130 -2.227 -0.860 295 HG2 LYS 32 1HG LYS 32 -17.425 -1.112 -2.897 296 HG3 LYS 32 2HG LYS 32 -16.601 -2.393 -2.006 297 HD2 LYS 32 1HD LYS 32 -18.737 -3.759 -2.353 298 HD3 LYS 32 2HD LYS 32 -19.172 -2.539 -3.553 299 HE2 LYS 32 1HE LYS 32 -16.444 -3.523 -3.851 300 HE3 LYS 32 2HE LYS 32 -17.658 -4.793 -4.009 301 HZ1 LYS 32 3HZ LYS 32 -17.411 -3.959 -6.149 302 HZ2 LYS 32 1HZ LYS 32 -17.332 -2.349 -5.634 303 HZ3 LYS 32 2HZ LYS 32 -18.805 -3.179 -5.592 304 H LYS 33 H LYS 33 -17.836 0.826 1.112 305 HA LYS 33 HA LYS 33 -20.134 0.300 2.777 306 HB2 LYS 33 1HB LYS 33 -17.537 1.730 3.375 307 HB3 LYS 33 2HB LYS 33 -18.760 1.319 4.571 308 HG2 LYS 33 1HG LYS 33 -17.193 -0.640 2.904 309 HG3 LYS 33 2HG LYS 33 -16.914 -0.264 4.606 310 HD2 LYS 33 1HD LYS 33 -19.643 -0.915 4.369 311 HD3 LYS 33 2HD LYS 33 -18.758 -2.125 3.438 312 HE2 LYS 33 1HE LYS 33 -17.212 -2.149 5.565 313 HE3 LYS 33 2HE LYS 33 -18.654 -1.513 6.353 314 HZ1 LYS 33 3HZ LYS 33 -18.478 -3.959 6.434 315 HZ2 LYS 33 1HZ LYS 33 -18.594 -4.008 4.747 316 HZ3 LYS 33 2HZ LYS 33 -19.889 -3.426 5.666 317 H LYS 34 H LYS 34 -18.671 3.054 1.184 318 HA LYS 34 HA LYS 34 -19.930 5.148 2.502 319 HB2 LYS 34 1HB LYS 34 -18.316 4.870 0.254 320 HB3 LYS 34 2HB LYS 34 -19.798 5.577 -0.374 321 HG2 LYS 34 1HG LYS 34 -19.509 7.211 1.655 322 HG3 LYS 34 2HG LYS 34 -17.822 6.701 1.546 323 HD2 LYS 34 1HD LYS 34 -17.875 8.564 0.166 324 HD3 LYS 34 2HD LYS 34 -18.084 7.236 -0.979 325 HE2 LYS 34 1HE LYS 34 -19.987 8.147 -1.665 326 HE3 LYS 34 2HE LYS 34 -20.653 7.956 -0.044 327 HZ1 LYS 34 3HZ LYS 34 -20.837 10.202 -0.346 328 HZ2 LYS 34 1HZ LYS 34 -19.434 10.320 -1.284 329 HZ3 LYS 34 2HZ LYS 34 -19.316 10.131 0.393 330 H LYS 35 H LYS 35 -21.091 3.178 -0.205 331 HA LYS 35 HA LYS 35 -23.549 4.596 -0.494 332 HB2 LYS 35 1HB LYS 35 -22.317 3.076 -2.199 333 HB3 LYS 35 2HB LYS 35 -23.135 1.754 -1.376 334 HG2 LYS 35 1HG LYS 35 -25.040 3.792 -1.965 335 HG3 LYS 35 2HG LYS 35 -24.121 3.417 -3.425 336 HD2 LYS 35 1HD LYS 35 -24.947 1.308 -3.563 337 HD3 LYS 35 2HD LYS 35 -25.027 1.111 -1.811 338 HE2 LYS 35 1HE LYS 35 -27.217 1.468 -1.924 339 HE3 LYS 35 2HE LYS 35 -26.882 3.116 -2.453 340 HZ1 LYS 35 3HZ LYS 35 -26.563 1.591 -4.700 341 HZ2 LYS 35 1HZ LYS 35 -27.899 2.561 -4.330 342 HZ3 LYS 35 2HZ LYS 35 -27.916 0.915 -3.942 343 H LYS 36 H LYS 36 -24.788 4.686 1.306 344 HA LYS 36 HA LYS 36 -25.108 2.627 3.190 345 HB2 LYS 36 1HB LYS 36 -25.762 5.210 3.192 346 HB3 LYS 36 2HB LYS 36 -27.332 4.556 2.743 347 HG2 LYS 36 1HG LYS 36 -26.904 2.975 4.793 348 HG3 LYS 36 2HG LYS 36 -25.812 4.272 5.283 349 HD2 LYS 36 1HD LYS 36 -27.507 5.741 5.658 350 HD3 LYS 36 2HD LYS 36 -28.520 5.066 4.380 351 HE2 LYS 36 1HE LYS 36 -29.642 4.482 6.336 352 HE3 LYS 36 2HE LYS 36 -28.744 3.022 5.923 353 HZ1 LYS 36 3HZ LYS 36 -27.075 4.555 7.516 354 HZ2 LYS 36 1HZ LYS 36 -27.846 3.107 7.929 355 HZ3 LYS 36 2HZ LYS 36 -28.591 4.588 8.267 Start of MODEL 6 1 H1 LYS 1 H LYS 1 23.388 16.024 3.473 2 HA LYS 1 HA LYS 1 22.245 17.183 1.537 3 HB2 LYS 1 1HB LYS 1 23.254 16.659 -0.674 4 HB3 LYS 1 2HB LYS 1 24.259 17.705 0.320 5 HG2 LYS 1 1HG LYS 1 24.744 14.780 0.455 6 HG3 LYS 1 2HG LYS 1 25.254 15.645 -0.998 7 HD2 LYS 1 1HD LYS 1 26.054 17.203 1.219 8 HD3 LYS 1 2HD LYS 1 26.513 15.535 1.566 9 HE2 LYS 1 1HE LYS 1 28.350 16.462 0.429 10 HE3 LYS 1 2HE LYS 1 27.508 15.482 -0.770 11 HZ1 LYS 1 3HZ LYS 1 27.828 17.396 -1.938 12 HZ2 LYS 1 1HZ LYS 1 27.732 18.397 -0.577 13 HZ3 LYS 1 2HZ LYS 1 26.323 17.749 -1.251 14 H LYS 2 H LYS 2 21.370 15.244 3.008 15 HA LYS 2 HA LYS 2 20.253 13.261 3.102 16 HB2 LYS 2 1HB LYS 2 20.058 13.477 0.100 17 HB3 LYS 2 2HB LYS 2 18.924 12.706 1.204 18 HG2 LYS 2 1HG LYS 2 19.483 15.664 1.095 19 HG3 LYS 2 2HG LYS 2 18.109 14.857 0.335 20 HD2 LYS 2 1HD LYS 2 17.726 13.929 2.765 21 HD3 LYS 2 2HD LYS 2 18.672 15.348 3.222 22 HE2 LYS 2 1HE LYS 2 17.047 16.804 2.589 23 HE3 LYS 2 2HE LYS 2 16.476 15.768 1.282 24 HZ1 LYS 2 3HZ LYS 2 14.999 14.765 2.614 25 HZ2 LYS 2 1HZ LYS 2 15.179 16.132 3.594 26 HZ3 LYS 2 2HZ LYS 2 16.043 14.722 3.943 27 H LYS 3 H LYS 3 23.060 13.026 2.980 28 HA LYS 3 HA LYS 3 23.658 10.844 1.161 29 HB2 LYS 3 1HB LYS 3 25.170 12.831 2.468 30 HB3 LYS 3 2HB LYS 3 25.701 11.296 3.140 31 HG2 LYS 3 1HG LYS 3 25.484 11.045 0.305 32 HG3 LYS 3 2HG LYS 3 26.440 12.477 0.695 33 HD2 LYS 3 1HD LYS 3 28.113 11.263 1.658 34 HD3 LYS 3 2HD LYS 3 27.020 9.992 2.210 35 HE2 LYS 3 1HE LYS 3 26.810 9.670 -0.454 36 HE3 LYS 3 2HE LYS 3 28.459 10.287 -0.351 37 HZ1 LYS 3 3HZ LYS 3 27.489 8.023 1.296 38 HZ2 LYS 3 1HZ LYS 3 29.088 8.511 1.041 39 HZ3 LYS 3 2HZ LYS 3 28.208 7.809 -0.221 40 H LYS 4 H LYS 4 24.870 8.922 2.126 41 HA LYS 4 HA LYS 4 24.803 7.017 3.365 42 HB2 LYS 4 1HB LYS 4 24.717 9.208 5.281 43 HB3 LYS 4 2HB LYS 4 23.939 7.756 5.900 44 HG2 LYS 4 1HG LYS 4 26.605 7.484 4.617 45 HG3 LYS 4 2HG LYS 4 26.513 8.197 6.229 46 HD2 LYS 4 1HD LYS 4 25.162 5.596 5.565 47 HD3 LYS 4 2HD LYS 4 26.852 5.664 6.066 48 HE2 LYS 4 1HE LYS 4 26.100 6.911 8.106 49 HE3 LYS 4 2HE LYS 4 24.438 6.577 7.622 50 HZ1 LYS 4 3HZ LYS 4 26.471 4.754 8.667 51 HZ2 LYS 4 1HZ LYS 4 25.371 4.135 7.541 52 HZ3 LYS 4 2HZ LYS 4 24.810 4.817 8.984 53 H ASP 5 H ASP 5 23.285 5.773 5.020 54 HA ASP 5 HA ASP 5 21.296 4.694 5.264 55 HB2 ASP 5 1HB ASP 5 20.078 7.425 4.819 56 HB3 ASP 5 2HB ASP 5 19.336 6.058 5.646 57 H LYS 6 H LYS 6 22.445 4.989 2.576 58 HA LYS 6 HA LYS 6 20.264 5.315 0.741 59 HB2 LYS 6 1HB LYS 6 23.143 4.582 0.547 60 HB3 LYS 6 2HB LYS 6 22.091 4.099 -0.777 61 HG2 LYS 6 1HG LYS 6 22.155 6.924 0.225 62 HG3 LYS 6 2HG LYS 6 23.310 6.332 -0.972 63 HD2 LYS 6 1HD LYS 6 20.329 6.075 -1.306 64 HD3 LYS 6 2HD LYS 6 21.242 7.470 -1.885 65 HE2 LYS 6 1HE LYS 6 21.970 6.355 -3.673 66 HE3 LYS 6 2HE LYS 6 22.471 4.977 -2.694 67 HZ1 LYS 6 3HZ LYS 6 19.910 5.458 -4.049 68 HZ2 LYS 6 1HZ LYS 6 19.929 4.507 -2.650 69 HZ3 LYS 6 2HZ LYS 6 20.849 4.052 -3.994 70 H TRP 7 H TRP 7 21.763 2.655 2.427 71 HA TRP 7 HA TRP 7 20.518 0.611 0.840 72 HB2 TRP 7 2HB TRP 7 21.779 0.370 3.580 73 HB3 TRP 7 3HB TRP 7 21.436 -0.945 2.459 74 HD1 TRP 7 1HD TRP 7 23.985 1.753 3.208 75 HE1 TRP 7 1HE TRP 7 26.014 1.454 1.654 76 HE3 TRP 7 3HE TRP 7 22.076 -1.785 0.050 77 HZ2 TRP 7 2HZ TRP 7 26.714 -0.078 -0.611 78 HZ3 TRP 7 3HZ TRP 7 23.490 -2.615 -1.784 79 HH2 TRP 7 2HH TRP 7 25.760 -1.777 -2.107 80 H ALA 8 H ALA 8 19.715 2.427 3.693 81 HA ALA 8 HA ALA 8 17.707 0.699 4.706 82 HB1 ALA 8 3HB ALA 8 17.675 2.163 6.378 83 HB2 ALA 8 1HB ALA 8 18.906 3.082 5.512 84 HB3 ALA 8 2HB ALA 8 17.199 3.475 5.301 85 H SER 9 H SER 9 17.547 3.616 2.672 86 HA SER 9 HA SER 9 14.809 3.809 2.378 87 HB2 SER 9 1HB SER 9 16.441 5.477 1.531 88 HB3 SER 9 2HB SER 9 16.877 4.362 0.236 89 HG SER 9 HG SER 9 15.003 4.726 -0.738 90 H LEU 10 H LEU 10 17.084 1.975 0.349 91 HA LEU 10 HA LEU 10 15.314 0.948 -1.503 92 HB2 LEU 10 1HB LEU 10 17.889 0.706 -1.265 93 HB3 LEU 10 2HB LEU 10 17.495 -0.761 -0.371 94 HG LEU 10 HG LEU 10 16.375 -0.353 -3.113 95 HD11 LEU 10 1HD1 LEU 10 18.976 0.006 -2.903 96 HD12 LEU 10 2HD1 LEU 10 18.284 -0.953 -4.210 97 HD13 LEU 10 3HD1 LEU 10 18.978 -1.755 -2.802 98 HD21 LEU 10 3HD2 LEU 10 17.257 -2.800 -1.586 99 HD22 LEU 10 1HD2 LEU 10 16.444 -2.776 -3.151 100 HD23 LEU 10 2HD2 LEU 10 15.597 -2.215 -1.709 101 H TRP 11 H TRP 11 16.412 -0.733 1.450 102 HA TRP 11 HA TRP 11 14.642 -2.876 1.293 103 HB2 TRP 11 2HB TRP 11 16.144 -1.583 3.536 104 HB3 TRP 11 3HB TRP 11 14.953 -2.826 3.904 105 HD1 TRP 11 1HD TRP 11 18.482 -2.377 2.756 106 HE1 TRP 11 1HE TRP 11 19.537 -4.668 2.246 107 HE3 TRP 11 3HE TRP 11 14.262 -5.260 2.889 108 HZ2 TRP 11 2HZ TRP 11 18.693 -7.344 1.941 109 HZ3 TRP 11 3HZ TRP 11 14.473 -7.677 2.476 110 HH2 TRP 11 2HH TRP 11 16.642 -8.695 2.011 111 H ASN 12 H ASN 12 14.212 0.337 2.662 112 HA ASN 12 HA ASN 12 11.840 -0.067 4.065 113 HB2 ASN 12 1HB ASN 12 13.456 2.111 3.439 114 HB3 ASN 12 2HB ASN 12 11.903 2.509 2.710 115 HD21 ASN 12 2HD2 ASN 12 13.698 2.766 5.436 116 HD22 ASN 12 1HD2 ASN 12 12.439 3.007 6.595 117 H TRP 13 H TRP 13 12.431 0.185 0.654 118 HA TRP 13 HA TRP 13 9.891 0.897 -0.262 119 HB2 TRP 13 2HB TRP 13 12.009 0.716 -1.629 120 HB3 TRP 13 3HB TRP 13 11.762 -1.028 -1.645 121 HD1 TRP 13 1HD TRP 13 10.183 2.218 -2.975 122 HE1 TRP 13 1HE TRP 13 8.686 1.627 -4.984 123 HE3 TRP 13 3HE TRP 13 10.463 -2.880 -2.722 124 HZ2 TRP 13 2HZ TRP 13 7.748 -0.694 -6.289 125 HZ3 TRP 13 3HZ TRP 13 9.236 -4.213 -4.388 126 HH2 TRP 13 2HH TRP 13 7.907 -3.140 -6.133 127 H PHE 14 H PHE 14 11.015 -2.024 1.159 128 HA PHE 14 HA PHE 14 9.363 -3.955 0.092 129 HB2 PHE 14 2HB PHE 14 11.057 -4.574 1.674 130 HB3 PHE 14 3HB PHE 14 10.319 -3.590 2.933 131 HD1 PHE 14 1HD PHE 14 9.614 -6.507 0.734 132 HD2 PHE 14 2HD PHE 14 8.880 -4.569 4.451 133 HE1 PHE 14 1HE PHE 14 8.324 -8.460 1.494 134 HE2 PHE 14 2HE PHE 14 7.590 -6.518 5.218 135 HZ PHE 14 HZ PHE 14 7.311 -8.467 3.739 136 H ASP 15 H ASP 15 8.667 -2.001 2.994 137 HA ASP 15 HA ASP 15 6.048 -2.865 3.374 138 HB2 ASP 15 1HB ASP 15 7.145 -1.635 5.113 139 HB3 ASP 15 2HB ASP 15 7.376 -0.241 4.062 140 H ILE 16 H ILE 16 7.324 -0.290 1.336 141 HA ILE 16 HA ILE 16 4.816 0.818 0.613 142 HB ILE 16 HB ILE 16 7.522 0.941 -0.707 143 HG12 ILE 16 1HG1 ILE 16 7.161 3.409 0.018 144 HG13 ILE 16 2HG1 ILE 16 5.907 2.755 1.064 145 HG21 ILE 16 1HG2 ILE 16 4.884 1.853 -1.676 146 HG22 ILE 16 2HG2 ILE 16 6.223 2.987 -1.842 147 HG23 ILE 16 3HG2 ILE 16 6.327 1.388 -2.577 148 HD11 ILE 16 3HD1 ILE 16 8.162 3.096 2.115 149 HD12 ILE 16 1HD1 ILE 16 7.467 1.485 2.294 150 HD13 ILE 16 2HD1 ILE 16 8.741 1.768 1.107 151 H THR 17 H THR 17 6.679 -1.880 -0.553 152 HA THR 17 HA THR 17 5.656 -2.230 -3.102 153 HB THR 17 HB THR 17 6.037 -4.634 -1.364 154 HG1 THR 17 1HG THR 17 8.395 -4.219 -1.919 155 HG21 THR 17 3HG2 THR 17 6.565 -3.861 -4.209 156 HG22 THR 17 1HG2 THR 17 5.666 -5.239 -3.577 157 HG23 THR 17 2HG2 THR 17 7.426 -5.216 -3.481 158 H ASN 18 H ASN 18 4.434 -3.735 -0.103 159 HA ASN 18 HA ASN 18 2.044 -4.653 -1.402 160 HB2 ASN 18 1HB ASN 18 3.350 -5.603 0.701 161 HB3 ASN 18 2HB ASN 18 2.260 -4.528 1.573 162 HD21 ASN 18 2HD2 ASN 18 1.030 -6.063 2.535 163 HD22 ASN 18 1HD2 ASN 18 0.006 -7.156 1.675 164 H TRP 19 H TRP 19 3.003 -1.850 0.396 165 HA TRP 19 HA TRP 19 0.597 -0.907 1.374 166 HB2 TRP 19 2HB TRP 19 2.740 0.175 1.848 167 HB3 TRP 19 3HB TRP 19 2.865 0.692 0.169 168 HD1 TRP 19 1HD TRP 19 0.598 1.292 3.252 169 HE1 TRP 19 1HE TRP 19 -0.356 3.677 3.084 170 HE3 TRP 19 3HE TRP 19 2.482 2.600 -1.317 171 HZ2 TRP 19 2HZ TRP 19 -0.316 5.827 1.256 172 HZ3 TRP 19 3HZ TRP 19 1.977 4.838 -2.204 173 HH2 TRP 19 2HH TRP 19 0.607 6.417 -0.943 174 H LEU 20 H LEU 20 1.990 -0.415 -1.859 175 HA LEU 20 HA LEU 20 -0.080 1.188 -2.874 176 HB2 LEU 20 1HB LEU 20 2.228 -0.242 -3.912 177 HB3 LEU 20 2HB LEU 20 0.880 -0.227 -5.046 178 HG LEU 20 HG LEU 20 1.500 2.389 -3.875 179 HD11 LEU 20 1HD1 LEU 20 3.507 2.769 -5.151 180 HD12 LEU 20 2HD1 LEU 20 3.473 1.116 -5.764 181 HD13 LEU 20 3HD1 LEU 20 3.764 1.415 -4.051 182 HD21 LEU 20 3HD2 LEU 20 0.080 2.657 -5.609 183 HD22 LEU 20 1HD2 LEU 20 0.633 1.198 -6.430 184 HD23 LEU 20 2HD2 LEU 20 1.577 2.684 -6.545 185 H TRP 21 H TRP 21 0.194 -2.246 -2.433 186 HA TRP 21 HA TRP 21 -2.030 -2.879 -4.161 187 HB2 TRP 21 2HB TRP 21 0.085 -4.323 -3.003 188 HB3 TRP 21 3HB TRP 21 -1.385 -4.976 -2.284 189 HD1 TRP 21 1HD TRP 21 0.345 -4.559 -5.690 190 HE1 TRP 21 1HE TRP 21 -0.693 -6.240 -7.340 191 HE3 TRP 21 3HE TRP 21 -3.446 -6.339 -2.758 192 HZ2 TRP 21 2HZ TRP 21 -2.834 -8.078 -7.391 193 HZ3 TRP 21 3HZ TRP 21 -4.945 -8.057 -3.683 194 HH2 TRP 21 2HH TRP 21 -4.644 -8.907 -5.952 195 H TYR 22 H TYR 22 -1.503 -2.199 -0.789 196 HA TYR 22 HA TYR 22 -4.052 -3.213 0.079 197 HB2 TYR 22 2HB TYR 22 -2.027 -3.089 1.551 198 HB3 TYR 22 3HB TYR 22 -2.185 -1.336 1.541 199 HD1 TYR 22 2HD TYR 22 -3.788 -4.481 2.624 200 HD2 TYR 22 1HD TYR 22 -3.786 -0.237 2.918 201 HE1 TYR 22 2HE TYR 22 -5.342 -4.617 4.526 202 HE2 TYR 22 1HE TYR 22 -5.340 -0.361 4.821 203 HH TYR 22 HH TYR 22 -6.773 -1.738 5.940 204 H ILE 23 H ILE 23 -2.686 -0.063 -0.730 205 HA ILE 23 HA ILE 23 -4.873 1.506 0.109 206 HB ILE 23 HB ILE 23 -3.957 3.275 -1.294 207 HG12 ILE 23 1HG1 ILE 23 -2.024 1.187 -2.324 208 HG13 ILE 23 2HG1 ILE 23 -3.390 1.821 -3.237 209 HG21 ILE 23 1HG2 ILE 23 -1.412 2.244 -0.349 210 HG22 ILE 23 2HG2 ILE 23 -2.334 3.648 0.188 211 HG23 ILE 23 3HG2 ILE 23 -2.703 2.051 0.836 212 HD11 ILE 23 3HD1 ILE 23 -1.254 3.618 -2.151 213 HD12 ILE 23 1HD1 ILE 23 -1.088 2.799 -3.704 214 HD13 ILE 23 2HD1 ILE 23 -2.416 3.931 -3.441 215 H LYS 24 H LYS 24 -4.311 -0.406 -2.730 216 HA LYS 24 HA LYS 24 -6.316 0.830 -4.354 217 HB2 LYS 24 1HB LYS 24 -4.751 -1.731 -4.540 218 HB3 LYS 24 2HB LYS 24 -6.055 -1.382 -5.667 219 HG2 LYS 24 1HG LYS 24 -4.905 0.681 -6.336 220 HG3 LYS 24 2HG LYS 24 -3.584 0.284 -5.234 221 HD2 LYS 24 1HD LYS 24 -3.266 -1.843 -6.497 222 HD3 LYS 24 2HD LYS 24 -4.472 -1.281 -7.656 223 HE2 LYS 24 1HE LYS 24 -3.107 0.533 -8.331 224 HE3 LYS 24 2HE LYS 24 -2.006 0.302 -6.974 225 HZ1 LYS 24 3HZ LYS 24 -0.903 -0.613 -8.791 226 HZ2 LYS 24 1HZ LYS 24 -2.297 -1.351 -9.405 227 HZ3 LYS 24 2HZ LYS 24 -1.561 -1.963 -8.012 228 H LEU 25 H LEU 25 -6.165 -2.315 -2.676 229 HA LEU 25 HA LEU 25 -8.862 -2.992 -3.150 230 HB2 LEU 25 1HB LEU 25 -8.517 -4.634 -1.302 231 HB3 LEU 25 2HB LEU 25 -7.336 -4.721 -2.606 232 HG LEU 25 HG LEU 25 -6.023 -3.112 -0.886 233 HD11 LEU 25 1HD1 LEU 25 -7.117 -5.079 1.037 234 HD12 LEU 25 2HD1 LEU 25 -8.115 -3.673 0.664 235 HD13 LEU 25 3HD1 LEU 25 -6.488 -3.452 1.306 236 HD21 LEU 25 3HD2 LEU 25 -4.743 -5.076 -0.258 237 HD22 LEU 25 1HD2 LEU 25 -5.188 -5.158 -1.962 238 HD23 LEU 25 2HD2 LEU 25 -6.061 -6.128 -0.777 239 H PHE 26 H PHE 26 -7.252 -1.343 -0.477 240 HA PHE 26 HA PHE 26 -9.282 -1.280 1.390 241 HB2 PHE 26 2HB PHE 26 -7.064 -0.431 1.891 242 HB3 PHE 26 3HB PHE 26 -7.265 0.873 0.725 243 HD1 PHE 26 1HD PHE 26 -8.790 2.736 1.198 244 HD2 PHE 26 2HD PHE 26 -8.013 -0.305 4.072 245 HE1 PHE 26 1HE PHE 26 -9.713 4.176 2.967 246 HE2 PHE 26 2HE PHE 26 -8.935 1.129 5.846 247 HZ PHE 26 HZ PHE 26 -9.787 3.374 5.294 248 H ILE 27 H ILE 27 -8.595 1.315 -0.963 249 HA ILE 27 HA ILE 27 -10.903 2.802 -0.493 250 HB ILE 27 HB ILE 27 -9.365 2.564 -3.082 251 HG12 ILE 27 1HG1 ILE 27 -7.979 3.230 -1.144 252 HG13 ILE 27 2HG1 ILE 27 -8.143 4.529 -2.320 253 HG21 ILE 27 1HG2 ILE 27 -10.363 5.104 -2.968 254 HG22 ILE 27 2HG2 ILE 27 -11.068 3.774 -3.886 255 HG23 ILE 27 3HG2 ILE 27 -11.680 4.156 -2.278 256 HD11 ILE 27 3HD1 ILE 27 -8.632 4.638 0.422 257 HD12 ILE 27 1HD1 ILE 27 -8.976 5.880 -0.782 258 HD13 ILE 27 2HD1 ILE 27 -10.217 4.705 -0.348 259 H MET 28 H MET 28 -10.393 -0.039 -2.457 260 HA MET 28 HA MET 28 -12.770 0.137 -3.990 261 HB2 MET 28 1HB MET 28 -10.819 -1.290 -4.576 262 HB3 MET 28 2HB MET 28 -11.220 -2.343 -3.226 263 HG2 MET 28 1HG MET 28 -13.585 -2.201 -4.609 264 HG3 MET 28 2HG MET 28 -12.374 -2.188 -5.890 265 HE1 MET 28 3HE MET 28 -13.531 -4.407 -2.620 266 HE2 MET 28 1HE MET 28 -14.623 -4.065 -3.962 267 HE3 MET 28 2HE MET 28 -13.989 -5.695 -3.736 268 H ILE 29 H ILE 29 -12.013 -1.197 -0.836 269 HA ILE 29 HA ILE 29 -14.568 -2.497 -0.544 270 HB ILE 29 HB ILE 29 -12.444 -1.922 1.525 271 HG12 ILE 29 1HG1 ILE 29 -12.873 -4.687 0.661 272 HG13 ILE 29 2HG1 ILE 29 -12.302 -3.637 -0.630 273 HG21 ILE 29 1HG2 ILE 29 -13.904 -4.126 2.329 274 HG22 ILE 29 2HG2 ILE 29 -14.020 -2.498 2.991 275 HG23 ILE 29 3HG2 ILE 29 -15.125 -3.012 1.717 276 HD11 ILE 29 3HD1 ILE 29 -10.257 -3.982 0.139 277 HD12 ILE 29 1HD1 ILE 29 -10.697 -3.007 1.542 278 HD13 ILE 29 2HD1 ILE 29 -10.869 -4.762 1.598 279 H VAL 30 H VAL 30 -13.074 0.514 0.497 280 HA VAL 30 HA VAL 30 -15.021 1.334 2.342 281 HB VAL 30 HB VAL 30 -13.391 3.146 0.560 282 HG11 VAL 30 1HG1 VAL 30 -14.849 3.526 3.155 283 HG12 VAL 30 2HG1 VAL 30 -13.538 4.599 2.661 284 HG13 VAL 30 3HG1 VAL 30 -14.986 4.457 1.664 285 HG21 VAL 30 3HG2 VAL 30 -12.549 1.297 2.605 286 HG22 VAL 30 1HG2 VAL 30 -11.576 2.309 1.537 287 HG23 VAL 30 2HG2 VAL 30 -12.172 2.958 3.065 288 H GLY 31 H GLY 31 -14.755 1.879 -1.155 289 HA2 GLY 31 1HA GLY 31 -16.890 3.620 -1.504 290 HA3 GLY 31 2HA GLY 31 -16.334 2.470 -2.712 291 H LYS 32 H LYS 32 -16.911 0.142 -1.052 292 HA LYS 32 HA LYS 32 -19.493 -0.435 -1.924 293 HB2 LYS 32 1HB LYS 32 -17.987 -1.706 0.371 294 HB3 LYS 32 2HB LYS 32 -19.370 -2.404 -0.463 295 HG2 LYS 32 1HG LYS 32 -16.857 -1.687 -1.929 296 HG3 LYS 32 2HG LYS 32 -17.041 -3.233 -1.099 297 HD2 LYS 32 1HD LYS 32 -18.723 -3.945 -2.526 298 HD3 LYS 32 2HD LYS 32 -19.144 -2.301 -3.012 299 HE2 LYS 32 1HE LYS 32 -16.736 -2.279 -4.009 300 HE3 LYS 32 2HE LYS 32 -16.884 -4.034 -3.926 301 HZ1 LYS 32 3HZ LYS 32 -19.009 -2.433 -5.191 302 HZ2 LYS 32 1HZ LYS 32 -18.585 -4.049 -5.460 303 HZ3 LYS 32 2HZ LYS 32 -17.604 -2.807 -6.058 304 H LYS 33 H LYS 33 -18.352 0.867 1.137 305 HA LYS 33 HA LYS 33 -20.989 0.776 2.329 306 HB2 LYS 33 1HB LYS 33 -18.470 2.102 3.348 307 HB3 LYS 33 2HB LYS 33 -19.932 1.790 4.275 308 HG2 LYS 33 1HG LYS 33 -18.733 0.007 4.960 309 HG3 LYS 33 2HG LYS 33 -19.401 -0.704 3.489 310 HD2 LYS 33 1HD LYS 33 -17.364 -0.953 2.631 311 HD3 LYS 33 2HD LYS 33 -17.010 0.760 2.870 312 HE2 LYS 33 1HE LYS 33 -16.938 -0.920 5.292 313 HE3 LYS 33 2HE LYS 33 -15.683 -1.247 4.097 314 HZ1 LYS 33 3HZ LYS 33 -15.828 1.504 4.345 315 HZ2 LYS 33 1HZ LYS 33 -14.595 0.489 4.901 316 HZ3 LYS 33 2HZ LYS 33 -15.877 0.901 5.924 317 H LYS 34 H LYS 34 -18.762 3.225 1.071 318 HA LYS 34 HA LYS 34 -20.190 5.514 1.732 319 HB2 LYS 34 1HB LYS 34 -17.860 5.107 0.503 320 HB3 LYS 34 2HB LYS 34 -18.844 5.409 -0.923 321 HG2 LYS 34 1HG LYS 34 -19.546 7.560 0.048 322 HG3 LYS 34 2HG LYS 34 -18.487 7.258 1.427 323 HD2 LYS 34 1HD LYS 34 -16.557 7.493 0.155 324 HD3 LYS 34 2HD LYS 34 -17.402 7.182 -1.363 325 HE2 LYS 34 1HE LYS 34 -18.685 9.407 -0.546 326 HE3 LYS 34 2HE LYS 34 -17.098 9.686 0.168 327 HZ1 LYS 34 3HZ LYS 34 -17.625 10.447 -2.257 328 HZ2 LYS 34 1HZ LYS 34 -17.246 8.843 -2.636 329 HZ3 LYS 34 2HZ LYS 34 -16.103 9.823 -1.865 330 H LYS 35 H LYS 35 -20.749 3.165 -0.778 331 HA LYS 35 HA LYS 35 -22.651 4.803 -2.201 332 HB2 LYS 35 1HB LYS 35 -21.201 3.025 -3.263 333 HB3 LYS 35 2HB LYS 35 -22.217 1.827 -2.471 334 HG2 LYS 35 1HG LYS 35 -24.025 2.269 -3.814 335 HG3 LYS 35 2HG LYS 35 -23.490 3.912 -4.178 336 HD2 LYS 35 1HD LYS 35 -21.474 2.579 -5.296 337 HD3 LYS 35 2HD LYS 35 -22.718 1.333 -5.428 338 HE2 LYS 35 1HE LYS 35 -24.177 2.904 -6.593 339 HE3 LYS 35 2HE LYS 35 -22.959 4.168 -6.434 340 HZ1 LYS 35 3HZ LYS 35 -22.825 1.703 -8.065 341 HZ2 LYS 35 1HZ LYS 35 -21.447 2.614 -7.700 342 HZ3 LYS 35 2HZ LYS 35 -22.710 3.308 -8.584 343 H LYS 36 H LYS 36 -23.978 5.255 -0.286 344 HA LYS 36 HA LYS 36 -25.554 3.074 0.785 345 HB2 LYS 36 1HB LYS 36 -25.250 5.981 1.369 346 HB3 LYS 36 2HB LYS 36 -26.747 5.196 1.853 347 HG2 LYS 36 1HG LYS 36 -25.777 4.192 3.584 348 HG3 LYS 36 2HG LYS 36 -24.401 3.665 2.612 349 HD2 LYS 36 1HD LYS 36 -23.524 6.021 2.781 350 HD3 LYS 36 2HD LYS 36 -24.793 6.327 3.969 351 HE2 LYS 36 1HE LYS 36 -23.634 3.991 4.862 352 HE3 LYS 36 2HE LYS 36 -22.261 4.913 4.252 353 HZ1 LYS 36 3HZ LYS 36 -23.689 5.273 6.649 354 HZ2 LYS 36 1HZ LYS 36 -23.857 6.667 5.706 355 HZ3 LYS 36 2HZ LYS 36 -22.315 6.097 6.104 Start of MODEL 7 1 H1 LYS 1 H LYS 1 6.955 5.049 1.427 2 HA LYS 1 HA LYS 1 7.797 6.949 0.474 3 HB2 LYS 1 1HB LYS 1 5.526 7.668 1.062 4 HB3 LYS 1 2HB LYS 1 6.093 8.187 2.644 5 HG2 LYS 1 1HG LYS 1 7.737 9.483 0.784 6 HG3 LYS 1 2HG LYS 1 6.092 9.607 0.154 7 HD2 LYS 1 1HD LYS 1 5.350 10.829 1.957 8 HD3 LYS 1 2HD LYS 1 6.576 10.170 3.043 9 HE2 LYS 1 1HE LYS 1 7.971 11.851 2.609 10 HE3 LYS 1 2HE LYS 1 7.777 11.648 0.869 11 HZ1 LYS 1 3HZ LYS 1 6.703 13.646 2.540 12 HZ2 LYS 1 1HZ LYS 1 5.433 12.792 1.818 13 HZ3 LYS 1 2HZ LYS 1 6.619 13.518 0.856 14 H LYS 2 H LYS 2 9.939 6.304 1.368 15 HA LYS 2 HA LYS 2 10.874 8.010 3.555 16 HB2 LYS 2 1HB LYS 2 12.430 5.865 2.112 17 HB3 LYS 2 2HB LYS 2 12.803 6.599 3.666 18 HG2 LYS 2 1HG LYS 2 10.403 4.870 3.105 19 HG3 LYS 2 2HG LYS 2 11.895 4.326 3.874 20 HD2 LYS 2 1HD LYS 2 11.534 5.987 5.669 21 HD3 LYS 2 2HD LYS 2 10.002 6.437 4.913 22 HE2 LYS 2 1HE LYS 2 9.788 3.712 5.113 23 HE3 LYS 2 2HE LYS 2 10.676 4.128 6.577 24 HZ1 LYS 2 3HZ LYS 2 7.934 4.721 5.845 25 HZ2 LYS 2 1HZ LYS 2 8.768 5.986 6.599 26 HZ3 LYS 2 2HZ LYS 2 8.622 4.488 7.372 27 H LYS 3 H LYS 3 13.435 8.479 3.057 28 HA LYS 3 HA LYS 3 13.900 9.421 0.380 29 HB2 LYS 3 1HB LYS 3 12.804 11.206 2.402 30 HB3 LYS 3 2HB LYS 3 14.346 11.781 1.781 31 HG2 LYS 3 1HG LYS 3 13.089 11.109 -0.521 32 HG3 LYS 3 2HG LYS 3 11.725 11.619 0.475 33 HD2 LYS 3 1HD LYS 3 12.813 13.747 0.917 34 HD3 LYS 3 2HD LYS 3 14.229 13.234 -0.003 35 HE2 LYS 3 1HE LYS 3 13.180 14.384 -1.651 36 HE3 LYS 3 2HE LYS 3 12.352 12.842 -1.863 37 HZ1 LYS 3 3HZ LYS 3 11.359 15.237 -0.426 38 HZ2 LYS 3 1HZ LYS 3 10.609 13.723 -0.330 39 HZ3 LYS 3 2HZ LYS 3 10.710 14.524 -1.816 40 H LYS 4 H LYS 4 14.979 10.401 3.636 41 HA LYS 4 HA LYS 4 17.691 10.573 3.000 42 HB2 LYS 4 1HB LYS 4 16.148 10.300 5.543 43 HB3 LYS 4 2HB LYS 4 17.895 10.104 5.594 44 HG2 LYS 4 1HG LYS 4 18.089 12.303 5.718 45 HG3 LYS 4 2HG LYS 4 17.423 12.420 4.088 46 HD2 LYS 4 1HD LYS 4 15.210 12.676 4.921 47 HD3 LYS 4 2HD LYS 4 15.708 12.244 6.558 48 HE2 LYS 4 1HE LYS 4 16.680 14.292 6.946 49 HE3 LYS 4 2HE LYS 4 16.984 14.591 5.235 50 HZ1 LYS 4 3HZ LYS 4 14.312 14.652 6.532 51 HZ2 LYS 4 1HZ LYS 4 14.639 14.996 4.908 52 HZ3 LYS 4 2HZ LYS 4 15.228 16.014 6.123 53 H ASP 5 H ASP 5 19.443 9.188 3.345 54 HA ASP 5 HA ASP 5 20.565 7.211 3.290 55 HB2 ASP 5 1HB ASP 5 18.310 6.003 4.881 56 HB3 ASP 5 2HB ASP 5 20.017 5.574 4.907 57 H LYS 6 H LYS 6 20.451 6.688 1.149 58 HA LYS 6 HA LYS 6 18.164 5.657 -0.146 59 HB2 LYS 6 1HB LYS 6 20.799 6.401 -0.868 60 HB3 LYS 6 2HB LYS 6 20.565 4.750 -1.425 61 HG2 LYS 6 1HG LYS 6 19.897 6.064 -3.224 62 HG3 LYS 6 2HG LYS 6 18.382 5.595 -2.449 63 HD2 LYS 6 1HD LYS 6 18.060 7.857 -2.801 64 HD3 LYS 6 2HD LYS 6 18.670 7.829 -1.145 65 HE2 LYS 6 1HE LYS 6 20.301 9.204 -1.761 66 HE3 LYS 6 2HE LYS 6 20.922 7.944 -2.827 67 HZ1 LYS 6 3HZ LYS 6 20.335 10.216 -3.823 68 HZ2 LYS 6 1HZ LYS 6 18.726 9.706 -3.706 69 HZ3 LYS 6 2HZ LYS 6 19.825 8.829 -4.646 70 H TRP 7 H TRP 7 20.993 4.093 1.299 71 HA TRP 7 HA TRP 7 20.397 1.462 0.532 72 HB2 TRP 7 2HB TRP 7 21.817 2.349 3.051 73 HB3 TRP 7 3HB TRP 7 21.937 0.771 2.277 74 HD1 TRP 7 1HD TRP 7 23.357 0.636 -0.016 75 HE1 TRP 7 1HE TRP 7 25.223 2.149 -0.943 76 HE3 TRP 7 3HE TRP 7 22.618 4.743 2.939 77 HZ2 TRP 7 2HZ TRP 7 26.247 4.738 -0.481 78 HZ3 TRP 7 3HZ TRP 7 24.084 6.695 2.633 79 HH2 TRP 7 2HH TRP 7 25.860 6.690 0.958 80 H ALA 8 H ALA 8 19.203 3.449 3.146 81 HA ALA 8 HA ALA 8 17.918 1.255 4.511 82 HB1 ALA 8 3HB ALA 8 17.564 2.703 6.201 83 HB2 ALA 8 1HB ALA 8 18.777 3.665 5.357 84 HB3 ALA 8 2HB ALA 8 17.063 4.006 5.123 85 H SER 9 H SER 9 16.923 3.948 2.437 86 HA SER 9 HA SER 9 14.153 3.525 2.589 87 HB2 SER 9 1HB SER 9 14.953 5.596 1.689 88 HB3 SER 9 2HB SER 9 15.871 4.766 0.433 89 HG SER 9 HG SER 9 14.057 5.370 -0.588 90 H LEU 10 H LEU 10 16.647 1.980 0.704 91 HA LEU 10 HA LEU 10 15.005 0.757 -1.237 92 HB2 LEU 10 1HB LEU 10 17.670 0.952 -0.852 93 HB3 LEU 10 2HB LEU 10 17.399 -0.713 -0.342 94 HG LEU 10 HG LEU 10 16.151 -0.051 -2.904 95 HD11 LEU 10 1HD1 LEU 10 17.858 1.068 -3.794 96 HD12 LEU 10 2HD1 LEU 10 18.753 -0.449 -3.721 97 HD13 LEU 10 3HD1 LEU 10 18.906 0.729 -2.417 98 HD21 LEU 10 3HD2 LEU 10 17.444 -2.160 -3.499 99 HD22 LEU 10 1HD2 LEU 10 16.203 -2.309 -2.255 100 HD23 LEU 10 2HD2 LEU 10 17.905 -2.226 -1.797 101 H TRP 11 H TRP 11 16.318 -0.480 1.831 102 HA TRP 11 HA TRP 11 14.974 -2.978 1.660 103 HB2 TRP 11 2HB TRP 11 16.412 -1.507 3.846 104 HB3 TRP 11 3HB TRP 11 15.505 -2.972 4.213 105 HD1 TRP 11 1HD TRP 11 18.314 -1.890 1.752 106 HE1 TRP 11 1HE TRP 11 19.927 -3.878 1.478 107 HE3 TRP 11 3HE TRP 11 15.876 -5.321 4.656 108 HZ2 TRP 11 2HZ TRP 11 20.136 -6.547 2.373 109 HZ3 TRP 11 3HZ TRP 11 16.848 -7.568 4.894 110 HH2 TRP 11 2HH TRP 11 18.934 -8.167 3.775 111 H ASN 12 H ASN 12 14.112 0.162 2.889 112 HA ASN 12 HA ASN 12 11.883 -0.725 4.449 113 HB2 ASN 12 1HB ASN 12 13.284 1.698 4.076 114 HB3 ASN 12 2HB ASN 12 11.616 2.013 3.604 115 HD21 ASN 12 2HD2 ASN 12 10.177 0.482 5.276 116 HD22 ASN 12 1HD2 ASN 12 10.429 0.965 6.915 117 H TRP 13 H TRP 13 12.407 0.091 1.124 118 HA TRP 13 HA TRP 13 9.812 0.747 0.326 119 HB2 TRP 13 2HB TRP 13 11.922 0.926 -1.054 120 HB3 TRP 13 3HB TRP 13 11.802 -0.809 -1.333 121 HD1 TRP 13 1HD TRP 13 9.978 2.476 -2.160 122 HE1 TRP 13 1HE TRP 13 8.505 2.084 -4.234 123 HE3 TRP 13 3HE TRP 13 10.626 -2.569 -2.674 124 HZ2 TRP 13 2HZ TRP 13 7.721 -0.077 -5.871 125 HZ3 TRP 13 3HZ TRP 13 9.479 -3.724 -4.520 126 HH2 TRP 13 2HH TRP 13 8.057 -2.501 -6.084 127 H PHE 14 H PHE 14 11.160 -2.265 1.291 128 HA PHE 14 HA PHE 14 9.638 -4.129 -0.054 129 HB2 PHE 14 2HB PHE 14 11.391 -4.854 1.414 130 HB3 PHE 14 3HB PHE 14 10.599 -4.127 2.809 131 HD1 PHE 14 1HD PHE 14 10.002 -6.689 0.170 132 HD2 PHE 14 2HD PHE 14 9.329 -5.460 4.190 133 HE1 PHE 14 1HE PHE 14 8.865 -8.822 0.628 134 HE2 PHE 14 2HE PHE 14 8.191 -7.591 4.654 135 HZ PHE 14 HZ PHE 14 7.959 -9.276 2.873 136 H ASP 15 H ASP 15 8.838 -2.689 3.110 137 HA ASP 15 HA ASP 15 6.292 -3.789 3.358 138 HB2 ASP 15 1HB ASP 15 7.599 -2.583 5.146 139 HB3 ASP 15 2HB ASP 15 7.118 -1.069 4.384 140 H ILE 16 H ILE 16 7.356 -0.852 1.729 141 HA ILE 16 HA ILE 16 4.766 0.166 1.182 142 HB ILE 16 HB ILE 16 7.441 0.684 -0.106 143 HG12 ILE 16 1HG1 ILE 16 6.911 2.981 0.982 144 HG13 ILE 16 2HG1 ILE 16 5.719 2.088 1.920 145 HG21 ILE 16 1HG2 ILE 16 6.194 1.314 -1.887 146 HG22 ILE 16 2HG2 ILE 16 4.733 1.535 -0.926 147 HG23 ILE 16 3HG2 ILE 16 5.986 2.776 -0.922 148 HD11 ILE 16 3HD1 ILE 16 8.617 1.315 1.810 149 HD12 ILE 16 1HD1 ILE 16 7.959 2.431 3.006 150 HD13 ILE 16 2HD1 ILE 16 7.382 0.765 2.942 151 H THR 17 H THR 17 6.805 -2.184 -0.377 152 HA THR 17 HA THR 17 5.781 -2.221 -2.949 153 HB THR 17 HB THR 17 6.354 -4.824 -1.593 154 HG1 THR 17 1HG THR 17 8.671 -4.152 -2.089 155 HG21 THR 17 3HG2 THR 17 6.002 -5.116 -3.871 156 HG22 THR 17 1HG2 THR 17 7.757 -4.980 -3.773 157 HG23 THR 17 2HG2 THR 17 6.792 -3.597 -4.290 158 H ASN 18 H ASN 18 4.580 -3.911 -0.065 159 HA ASN 18 HA ASN 18 2.318 -4.990 -1.504 160 HB2 ASN 18 1HB ASN 18 3.584 -5.407 1.087 161 HB3 ASN 18 2HB ASN 18 1.828 -5.352 1.207 162 HD21 ASN 18 2HD2 ASN 18 3.847 -7.549 1.442 163 HD22 ASN 18 1HD2 ASN 18 3.278 -8.779 0.371 164 H TRP 19 H TRP 19 3.009 -2.297 0.602 165 HA TRP 19 HA TRP 19 0.458 -1.602 1.448 166 HB2 TRP 19 2HB TRP 19 2.567 -0.525 2.213 167 HB3 TRP 19 3HB TRP 19 2.671 0.308 0.665 168 HD1 TRP 19 1HD TRP 19 0.040 0.015 3.519 169 HE1 TRP 19 1HE TRP 19 -1.016 2.338 3.852 170 HE3 TRP 19 3HE TRP 19 2.517 2.566 -0.154 171 HZ2 TRP 19 2HZ TRP 19 -0.825 4.911 2.708 172 HZ3 TRP 19 3HZ TRP 19 2.022 4.956 -0.469 173 HH2 TRP 19 2HH TRP 19 0.385 6.102 0.933 174 H LEU 20 H LEU 20 2.084 -0.912 -1.608 175 HA LEU 20 HA LEU 20 0.181 0.870 -2.657 176 HB2 LEU 20 1HB LEU 20 2.506 -0.550 -3.584 177 HB3 LEU 20 2HB LEU 20 1.238 -0.583 -4.808 178 HG LEU 20 HG LEU 20 1.247 2.050 -4.121 179 HD11 LEU 20 1HD1 LEU 20 4.157 1.405 -4.269 180 HD12 LEU 20 2HD1 LEU 20 3.333 1.391 -2.710 181 HD13 LEU 20 3HD1 LEU 20 3.356 2.862 -3.682 182 HD21 LEU 20 3HD2 LEU 20 3.200 1.164 -6.177 183 HD22 LEU 20 1HD2 LEU 20 1.933 2.388 -6.268 184 HD23 LEU 20 2HD2 LEU 20 1.514 0.678 -6.366 185 H TRP 21 H TRP 21 0.261 -2.607 -2.447 186 HA TRP 21 HA TRP 21 -1.911 -2.987 -4.311 187 HB2 TRP 21 2HB TRP 21 0.075 -4.626 -3.177 188 HB3 TRP 21 3HB TRP 21 -1.460 -5.254 -2.582 189 HD1 TRP 21 1HD TRP 21 0.598 -4.892 -5.763 190 HE1 TRP 21 1HE TRP 21 -0.490 -6.294 -7.625 191 HE3 TRP 21 3HE TRP 21 -3.755 -6.149 -3.394 192 HZ2 TRP 21 2HZ TRP 21 -2.878 -7.742 -8.037 193 HZ3 TRP 21 3HZ TRP 21 -5.389 -7.545 -4.593 194 HH2 TRP 21 2HH TRP 21 -4.957 -8.324 -6.866 195 H TYR 22 H TYR 22 -1.512 -2.566 -0.885 196 HA TYR 22 HA TYR 22 -4.143 -3.516 -0.204 197 HB2 TYR 22 2HB TYR 22 -2.247 -3.652 1.383 198 HB3 TYR 22 3HB TYR 22 -2.194 -1.893 1.447 199 HD1 TYR 22 1HD TYR 22 -4.410 -4.801 2.139 200 HD2 TYR 22 2HD TYR 22 -3.519 -0.726 2.981 201 HE1 TYR 22 1HE TYR 22 -6.057 -4.825 3.965 202 HE2 TYR 22 2HE TYR 22 -5.163 -0.740 4.811 203 HH TYR 22 HH TYR 22 -7.410 -2.302 5.253 204 H ILE 23 H ILE 23 -2.587 -0.392 -0.708 205 HA ILE 23 HA ILE 23 -4.706 1.237 0.167 206 HB ILE 23 HB ILE 23 -3.668 3.030 -1.138 207 HG12 ILE 23 1HG1 ILE 23 -1.762 0.917 -2.163 208 HG13 ILE 23 2HG1 ILE 23 -3.089 1.589 -3.107 209 HG21 ILE 23 1HG2 ILE 23 -2.231 3.226 0.541 210 HG22 ILE 23 2HG2 ILE 23 -2.468 1.521 0.921 211 HG23 ILE 23 3HG2 ILE 23 -1.182 2.008 -0.183 212 HD11 ILE 23 3HD1 ILE 23 -0.845 2.575 -3.568 213 HD12 ILE 23 1HD1 ILE 23 -2.090 3.740 -3.123 214 HD13 ILE 23 2HD1 ILE 23 -0.876 3.252 -1.940 215 H LYS 24 H LYS 24 -4.204 -0.540 -2.764 216 HA LYS 24 HA LYS 24 -6.095 0.910 -4.351 217 HB2 LYS 24 1HB LYS 24 -4.681 -1.727 -4.660 218 HB3 LYS 24 2HB LYS 24 -5.938 -1.234 -5.787 219 HG2 LYS 24 1HG LYS 24 -4.664 0.764 -6.353 220 HG3 LYS 24 2HG LYS 24 -3.409 0.294 -5.204 221 HD2 LYS 24 1HD LYS 24 -3.606 -1.957 -6.708 222 HD3 LYS 24 2HD LYS 24 -3.978 -0.717 -7.907 223 HE2 LYS 24 1HE LYS 24 -1.790 0.249 -6.439 224 HE3 LYS 24 2HE LYS 24 -1.446 -1.449 -6.763 225 HZ1 LYS 24 3HZ LYS 24 -1.855 -1.037 -9.115 226 HZ2 LYS 24 1HZ LYS 24 -0.617 -0.041 -8.532 227 HZ3 LYS 24 2HZ LYS 24 -2.162 0.595 -8.796 228 H LEU 25 H LEU 25 -6.169 -2.367 -2.934 229 HA LEU 25 HA LEU 25 -8.889 -2.833 -3.469 230 HB2 LEU 25 1HB LEU 25 -8.674 -4.602 -1.707 231 HB3 LEU 25 2HB LEU 25 -7.503 -4.693 -3.021 232 HG LEU 25 HG LEU 25 -6.093 -3.273 -1.202 233 HD11 LEU 25 1HD1 LEU 25 -8.298 -4.133 0.260 234 HD12 LEU 25 2HD1 LEU 25 -6.776 -3.512 0.898 235 HD13 LEU 25 3HD1 LEU 25 -7.002 -5.249 0.694 236 HD21 LEU 25 3HD2 LEU 25 -4.895 -5.313 -0.763 237 HD22 LEU 25 1HD2 LEU 25 -5.417 -5.307 -2.447 238 HD23 LEU 25 2HD2 LEU 25 -6.282 -6.283 -1.260 239 H PHE 26 H PHE 26 -7.237 -1.467 -0.665 240 HA PHE 26 HA PHE 26 -9.300 -1.405 1.168 241 HB2 PHE 26 2HB PHE 26 -7.060 -0.732 1.783 242 HB3 PHE 26 3HB PHE 26 -7.126 0.640 0.682 243 HD1 PHE 26 2HD PHE 26 -9.407 -0.683 3.325 244 HD2 PHE 26 1HD PHE 26 -7.186 2.623 1.822 245 HE1 PHE 26 2HE PHE 26 -10.281 0.726 5.142 246 HE2 PHE 26 1HE PHE 26 -8.056 4.037 3.638 247 HZ PHE 26 HZ PHE 26 -9.606 3.089 5.301 248 H ILE 27 H ILE 27 -8.397 1.318 -0.957 249 HA ILE 27 HA ILE 27 -10.638 2.890 -0.436 250 HB ILE 27 HB ILE 27 -9.025 2.779 -2.987 251 HG12 ILE 27 1HG1 ILE 27 -7.659 3.203 -0.979 252 HG13 ILE 27 2HG1 ILE 27 -7.741 4.621 -2.018 253 HG21 ILE 27 1HG2 ILE 27 -9.845 5.327 -2.808 254 HG22 ILE 27 2HG2 ILE 27 -10.732 4.083 -3.687 255 HG23 ILE 27 3HG2 ILE 27 -11.217 4.519 -2.049 256 HD11 ILE 27 3HD1 ILE 27 -9.385 5.627 -0.554 257 HD12 ILE 27 1HD1 ILE 27 -9.378 4.190 0.468 258 HD13 ILE 27 2HD1 ILE 27 -7.933 5.193 0.347 259 H MET 28 H MET 28 -10.241 0.147 -2.533 260 HA MET 28 HA MET 28 -12.546 0.596 -4.143 261 HB2 MET 28 1HB MET 28 -10.589 -0.903 -4.711 262 HB3 MET 28 2HB MET 28 -11.243 -2.064 -3.563 263 HG2 MET 28 1HG MET 28 -13.426 -1.662 -5.045 264 HG3 MET 28 2HG MET 28 -12.193 -1.312 -6.254 265 HE1 MET 28 3HE MET 28 -13.361 -3.462 -3.542 266 HE2 MET 28 1HE MET 28 -13.865 -4.848 -4.509 267 HE3 MET 28 2HE MET 28 -12.350 -4.905 -3.609 268 H ILE 29 H ILE 29 -11.942 -1.089 -1.118 269 HA ILE 29 HA ILE 29 -14.573 -2.248 -0.996 270 HB ILE 29 HB ILE 29 -12.476 -1.986 1.163 271 HG12 ILE 29 1HG1 ILE 29 -13.033 -4.632 0.037 272 HG13 ILE 29 2HG1 ILE 29 -12.370 -3.501 -1.139 273 HG21 ILE 29 1HG2 ILE 29 -14.976 -3.668 1.047 274 HG22 ILE 29 2HG2 ILE 29 -13.743 -3.753 2.304 275 HG23 ILE 29 3HG2 ILE 29 -14.695 -2.283 2.102 276 HD11 ILE 29 3HD1 ILE 29 -10.591 -3.030 0.663 277 HD12 ILE 29 1HD1 ILE 29 -11.141 -4.548 1.372 278 HD13 ILE 29 2HD1 ILE 29 -10.493 -4.524 -0.269 279 H VAL 30 H VAL 30 -12.920 0.518 0.453 280 HA VAL 30 HA VAL 30 -14.842 1.294 2.303 281 HB VAL 30 HB VAL 30 -13.112 3.149 0.663 282 HG11 VAL 30 1HG1 VAL 30 -14.767 4.399 1.832 283 HG12 VAL 30 2HG1 VAL 30 -14.518 3.466 3.308 284 HG13 VAL 30 3HG1 VAL 30 -13.260 4.561 2.734 285 HG21 VAL 30 3HG2 VAL 30 -12.381 1.127 2.544 286 HG22 VAL 30 1HG2 VAL 30 -11.346 2.257 1.671 287 HG23 VAL 30 2HG2 VAL 30 -12.028 2.711 3.233 288 H GLY 31 H GLY 31 -14.552 2.148 -1.132 289 HA2 GLY 31 1HA GLY 31 -16.630 3.982 -1.312 290 HA3 GLY 31 2HA GLY 31 -16.109 2.935 -2.624 291 H LYS 32 H LYS 32 -16.773 0.514 -1.022 292 HA LYS 32 HA LYS 32 -19.363 0.077 -2.004 293 HB2 LYS 32 1HB LYS 32 -17.982 -1.423 0.228 294 HB3 LYS 32 2HB LYS 32 -19.306 -2.013 -0.767 295 HG2 LYS 32 1HG LYS 32 -16.564 -1.309 -1.791 296 HG3 LYS 32 2HG LYS 32 -17.123 -2.941 -1.418 297 HD2 LYS 32 1HD LYS 32 -18.930 -1.481 -3.182 298 HD3 LYS 32 2HD LYS 32 -17.313 -1.688 -3.861 299 HE2 LYS 32 1HE LYS 32 -17.739 -4.165 -2.898 300 HE3 LYS 32 2HE LYS 32 -19.398 -3.691 -3.258 301 HZ1 LYS 32 3HZ LYS 32 -18.346 -4.796 -5.138 302 HZ2 LYS 32 1HZ LYS 32 -17.135 -3.616 -5.180 303 HZ3 LYS 32 2HZ LYS 32 -18.737 -3.194 -5.521 304 H LYS 33 H LYS 33 -18.203 1.152 1.131 305 HA LYS 33 HA LYS 33 -20.865 1.062 2.288 306 HB2 LYS 33 1HB LYS 33 -18.267 2.103 3.436 307 HB3 LYS 33 2HB LYS 33 -19.772 1.898 4.325 308 HG2 LYS 33 1HG LYS 33 -18.805 -0.045 4.921 309 HG3 LYS 33 2HG LYS 33 -19.480 -0.591 3.384 310 HD2 LYS 33 1HD LYS 33 -17.398 -0.326 2.276 311 HD3 LYS 33 2HD LYS 33 -16.708 0.558 3.640 312 HE2 LYS 33 1HE LYS 33 -17.706 -2.101 4.335 313 HE3 LYS 33 2HE LYS 33 -16.399 -2.121 3.152 314 HZ1 LYS 33 3HZ LYS 33 -16.098 -1.925 5.843 315 HZ2 LYS 33 1HZ LYS 33 -15.903 -0.325 5.330 316 HZ3 LYS 33 2HZ LYS 33 -14.920 -1.544 4.691 317 H LYS 34 H LYS 34 -18.465 3.500 1.354 318 HA LYS 34 HA LYS 34 -19.853 5.778 2.162 319 HB2 LYS 34 1HB LYS 34 -17.501 5.208 0.722 320 HB3 LYS 34 2HB LYS 34 -18.456 6.261 -0.313 321 HG2 LYS 34 1HG LYS 34 -18.163 8.049 1.013 322 HG3 LYS 34 2HG LYS 34 -18.286 7.100 2.497 323 HD2 LYS 34 1HD LYS 34 -16.031 6.476 2.420 324 HD3 LYS 34 2HD LYS 34 -15.875 6.914 0.718 325 HE2 LYS 34 1HE LYS 34 -16.321 9.302 1.437 326 HE3 LYS 34 2HE LYS 34 -16.109 8.743 3.095 327 HZ1 LYS 34 3HZ LYS 34 -14.090 9.702 1.941 328 HZ2 LYS 34 1HZ LYS 34 -14.056 8.287 1.015 329 HZ3 LYS 34 2HZ LYS 34 -13.882 8.203 2.695 330 H LYS 35 H LYS 35 -20.100 3.878 -0.794 331 HA LYS 35 HA LYS 35 -21.793 5.660 -2.198 332 HB2 LYS 35 1HB LYS 35 -21.111 2.753 -2.463 333 HB3 LYS 35 2HB LYS 35 -22.415 3.436 -3.425 334 HG2 LYS 35 1HG LYS 35 -19.877 4.930 -3.455 335 HG3 LYS 35 2HG LYS 35 -19.858 3.343 -4.228 336 HD2 LYS 35 1HD LYS 35 -21.253 3.991 -5.899 337 HD3 LYS 35 2HD LYS 35 -22.153 5.100 -4.861 338 HE2 LYS 35 1HE LYS 35 -20.941 6.833 -5.551 339 HE3 LYS 35 2HE LYS 35 -19.435 5.992 -5.190 340 HZ1 LYS 35 3HZ LYS 35 -19.240 5.232 -7.318 341 HZ2 LYS 35 1HZ LYS 35 -20.033 6.696 -7.620 342 HZ3 LYS 35 2HZ LYS 35 -20.906 5.248 -7.614 343 H LYS 36 H LYS 36 -23.438 6.324 -0.806 344 HA LYS 36 HA LYS 36 -25.449 4.258 -0.188 345 HB2 LYS 36 1HB LYS 36 -26.126 5.573 1.742 346 HB3 LYS 36 2HB LYS 36 -24.411 5.195 1.842 347 HG2 LYS 36 1HG LYS 36 -24.298 7.583 0.602 348 HG3 LYS 36 2HG LYS 36 -25.766 7.790 1.559 349 HD2 LYS 36 1HD LYS 36 -24.647 7.613 3.560 350 HD3 LYS 36 2HD LYS 36 -23.342 6.648 2.866 351 HE2 LYS 36 1HE LYS 36 -22.413 8.582 1.787 352 HE3 LYS 36 2HE LYS 36 -23.793 9.568 2.267 353 HZ1 LYS 36 3HZ LYS 36 -23.148 9.223 4.592 354 HZ2 LYS 36 1HZ LYS 36 -21.930 9.996 3.707 355 HZ3 LYS 36 2HZ LYS 36 -21.786 8.355 4.089 Start of MODEL 8 1 H1 LYS 1 H LYS 1 16.873 13.221 -3.826 2 HA LYS 1 HA LYS 1 19.277 14.742 -3.056 3 HB2 LYS 1 1HB LYS 1 17.267 13.345 -1.287 4 HB3 LYS 1 2HB LYS 1 18.828 13.920 -0.718 5 HG2 LYS 1 1HG LYS 1 16.922 15.783 -2.075 6 HG3 LYS 1 2HG LYS 1 16.746 15.392 -0.363 7 HD2 LYS 1 1HD LYS 1 19.080 16.123 0.006 8 HD3 LYS 1 2HD LYS 1 19.173 16.594 -1.693 9 HE2 LYS 1 1HE LYS 1 16.853 17.804 -0.724 10 HE3 LYS 1 2HE LYS 1 18.047 18.014 0.556 11 HZ1 LYS 1 3HZ LYS 1 18.141 19.850 -0.981 12 HZ2 LYS 1 1HZ LYS 1 18.373 18.801 -2.289 13 HZ3 LYS 1 2HZ LYS 1 19.567 18.948 -1.100 14 H LYS 2 H LYS 2 20.964 13.472 -2.008 15 HA LYS 2 HA LYS 2 21.086 10.762 -3.132 16 HB2 LYS 2 1HB LYS 2 23.393 12.376 -2.050 17 HB3 LYS 2 2HB LYS 2 23.465 10.947 -3.074 18 HG2 LYS 2 1HG LYS 2 22.352 13.617 -3.910 19 HG3 LYS 2 2HG LYS 2 23.970 13.023 -4.288 20 HD2 LYS 2 1HD LYS 2 22.728 10.988 -5.295 21 HD3 LYS 2 2HD LYS 2 21.316 12.047 -5.282 22 HE2 LYS 2 1HE LYS 2 22.069 12.630 -7.326 23 HE3 LYS 2 2HE LYS 2 23.131 13.692 -6.402 24 HZ1 LYS 2 3HZ LYS 2 24.220 11.069 -6.667 25 HZ2 LYS 2 1HZ LYS 2 24.906 12.563 -7.068 26 HZ3 LYS 2 2HZ LYS 2 23.911 11.765 -8.178 27 H LYS 3 H LYS 3 20.509 9.236 -1.734 28 HA LYS 3 HA LYS 3 20.770 9.602 1.113 29 HB2 LYS 3 1HB LYS 3 19.683 7.428 -0.651 30 HB3 LYS 3 2HB LYS 3 19.945 7.134 1.064 31 HG2 LYS 3 1HG LYS 3 18.409 9.551 0.279 32 HG3 LYS 3 2HG LYS 3 17.628 7.975 0.135 33 HD2 LYS 3 1HD LYS 3 18.516 7.625 2.562 34 HD3 LYS 3 2HD LYS 3 18.619 9.387 2.578 35 HE2 LYS 3 1HE LYS 3 16.095 8.411 1.508 36 HE3 LYS 3 2HE LYS 3 16.385 7.877 3.163 37 HZ1 LYS 3 3HZ LYS 3 15.236 10.137 2.726 38 HZ2 LYS 3 1HZ LYS 3 16.808 10.699 2.452 39 HZ3 LYS 3 2HZ LYS 3 16.401 10.022 3.948 40 H LYS 4 H LYS 4 22.351 8.882 2.399 41 HA LYS 4 HA LYS 4 24.815 8.048 1.432 42 HB2 LYS 4 1HB LYS 4 23.579 7.722 4.167 43 HB3 LYS 4 2HB LYS 4 25.260 7.341 3.816 44 HG2 LYS 4 1HG LYS 4 25.454 9.739 2.977 45 HG3 LYS 4 2HG LYS 4 23.903 10.014 3.775 46 HD2 LYS 4 1HD LYS 4 24.850 9.307 5.901 47 HD3 LYS 4 2HD LYS 4 26.391 8.954 5.116 48 HE2 LYS 4 1HE LYS 4 25.633 11.618 4.462 49 HE3 LYS 4 2HE LYS 4 25.478 11.411 6.205 50 HZ1 LYS 4 3HZ LYS 4 27.897 10.914 4.559 51 HZ2 LYS 4 1HZ LYS 4 27.768 10.503 6.196 52 HZ3 LYS 4 2HZ LYS 4 27.685 12.124 5.721 53 H ASP 5 H ASP 5 22.689 5.988 3.419 54 HA ASP 5 HA ASP 5 23.938 3.607 2.393 55 HB2 ASP 5 1HB ASP 5 21.672 4.090 4.322 56 HB3 ASP 5 2HB ASP 5 22.153 2.472 3.821 57 H LYS 6 H LYS 6 23.396 2.637 0.566 58 HA LYS 6 HA LYS 6 20.993 3.356 -0.848 59 HB2 LYS 6 1HB LYS 6 23.382 1.655 -1.424 60 HB3 LYS 6 2HB LYS 6 21.933 1.436 -2.395 61 HG2 LYS 6 1HG LYS 6 23.032 4.179 -2.014 62 HG3 LYS 6 2HG LYS 6 23.805 3.080 -3.158 63 HD2 LYS 6 1HD LYS 6 20.843 3.547 -3.216 64 HD3 LYS 6 2HD LYS 6 21.957 4.655 -4.021 65 HE2 LYS 6 1HE LYS 6 22.908 2.370 -4.991 66 HE3 LYS 6 2HE LYS 6 21.255 1.844 -4.673 67 HZ1 LYS 6 3HZ LYS 6 21.069 4.309 -5.918 68 HZ2 LYS 6 1HZ LYS 6 20.682 2.797 -6.572 69 HZ3 LYS 6 2HZ LYS 6 22.231 3.442 -6.790 70 H TRP 7 H TRP 7 22.162 0.611 0.997 71 HA TRP 7 HA TRP 7 19.983 -1.109 0.270 72 HB2 TRP 7 2HB TRP 7 20.880 -2.620 1.978 73 HB3 TRP 7 3HB TRP 7 22.167 -2.022 0.934 74 HD1 TRP 7 1HD TRP 7 23.901 -0.256 2.019 75 HE1 TRP 7 1HE TRP 7 24.567 0.173 4.468 76 HE3 TRP 7 3HE TRP 7 19.999 -2.602 4.343 77 HZ2 TRP 7 2HZ TRP 7 23.570 -0.408 7.045 78 HZ3 TRP 7 3HZ TRP 7 19.929 -2.619 6.802 79 HH2 TRP 7 2HH TRP 7 21.679 -1.545 8.124 80 H ALA 8 H ALA 8 20.565 1.288 2.700 81 HA ALA 8 HA ALA 8 18.694 0.488 4.636 82 HB1 ALA 8 3HB ALA 8 18.698 2.936 5.263 83 HB2 ALA 8 1HB ALA 8 20.271 2.140 5.243 84 HB3 ALA 8 2HB ALA 8 19.797 3.190 3.908 85 H SER 9 H SER 9 18.351 2.879 2.009 86 HA SER 9 HA SER 9 15.664 3.477 2.414 87 HB2 SER 9 1HB SER 9 17.230 4.717 0.902 88 HB3 SER 9 2HB SER 9 17.076 3.402 -0.262 89 HG SER 9 HG SER 9 15.009 5.095 0.694 90 H LEU 10 H LEU 10 17.160 0.892 0.535 91 HA LEU 10 HA LEU 10 14.975 -0.086 -0.836 92 HB2 LEU 10 1HB LEU 10 17.514 -0.846 -0.649 93 HB3 LEU 10 2HB LEU 10 16.808 -2.057 0.419 94 HG LEU 10 HG LEU 10 15.603 -1.700 -2.277 95 HD11 LEU 10 1HD1 LEU 10 17.931 -1.707 -2.846 96 HD12 LEU 10 2HD1 LEU 10 17.260 -3.298 -3.206 97 HD13 LEU 10 3HD1 LEU 10 18.240 -3.061 -1.759 98 HD21 LEU 10 3HD2 LEU 10 16.259 -4.266 -0.891 99 HD22 LEU 10 1HD2 LEU 10 14.947 -3.900 -2.011 100 HD23 LEU 10 2HD2 LEU 10 14.887 -3.293 -0.356 101 H TRP 11 H TRP 11 16.100 -1.139 2.380 102 HA TRP 11 HA TRP 11 14.094 -2.943 2.960 103 HB2 TRP 11 2HB TRP 11 15.821 -1.179 4.653 104 HB3 TRP 11 3HB TRP 11 14.524 -2.097 5.414 105 HD1 TRP 11 1HD TRP 11 18.054 -2.397 4.770 106 HE1 TRP 11 1HE TRP 11 18.830 -4.852 4.778 107 HE3 TRP 11 3HE TRP 11 13.501 -4.691 4.386 108 HZ2 TRP 11 2HZ TRP 11 17.667 -7.420 4.640 109 HZ3 TRP 11 3HZ TRP 11 13.419 -7.149 4.330 110 HH2 TRP 11 2HH TRP 11 15.460 -8.483 4.453 111 H ASN 12 H ASN 12 14.086 0.569 3.336 112 HA ASN 12 HA ASN 12 11.624 0.762 4.701 113 HB2 ASN 12 1HB ASN 12 13.452 2.614 3.300 114 HB3 ASN 12 2HB ASN 12 11.772 3.134 3.389 115 HD21 ASN 12 2HD2 ASN 12 14.518 3.711 4.780 116 HD22 ASN 12 1HD2 ASN 12 14.055 3.890 6.435 117 H TRP 13 H TRP 13 12.460 0.662 1.286 118 HA TRP 13 HA TRP 13 10.003 1.425 0.200 119 HB2 TRP 13 2HB TRP 13 12.181 1.093 -1.040 120 HB3 TRP 13 3HB TRP 13 11.864 -0.640 -0.985 121 HD1 TRP 13 1HD TRP 13 10.491 2.593 -2.555 122 HE1 TRP 13 1HE TRP 13 9.078 1.958 -4.611 123 HE3 TRP 13 3HE TRP 13 10.547 -2.493 -2.040 124 HZ2 TRP 13 2HZ TRP 13 8.114 -0.388 -5.850 125 HZ3 TRP 13 3HZ TRP 13 9.354 -3.860 -3.702 126 HH2 TRP 13 2HH TRP 13 8.163 -2.828 -5.566 127 H PHE 14 H PHE 14 10.932 -1.463 1.820 128 HA PHE 14 HA PHE 14 9.258 -3.380 0.759 129 HB2 PHE 14 2HB PHE 14 10.977 -3.490 2.729 130 HB3 PHE 14 3HB PHE 14 9.570 -3.159 3.734 131 HD1 PHE 14 2HD PHE 14 10.497 -5.402 0.896 132 HD2 PHE 14 1HD PHE 14 8.517 -4.975 4.639 133 HE1 PHE 14 2HE PHE 14 9.913 -7.792 0.856 134 HE2 PHE 14 1HE PHE 14 7.930 -7.364 4.606 135 HZ PHE 14 HZ PHE 14 8.628 -8.776 2.712 136 H ASP 15 H ASP 15 8.494 -1.255 3.523 137 HA ASP 15 HA ASP 15 5.826 -1.997 3.805 138 HB2 ASP 15 1HB ASP 15 7.065 -0.668 5.471 139 HB3 ASP 15 2HB ASP 15 7.061 0.707 4.370 140 H ILE 16 H ILE 16 7.311 0.418 1.712 141 HA ILE 16 HA ILE 16 4.891 1.583 0.803 142 HB ILE 16 HB ILE 16 7.664 1.536 -0.373 143 HG12 ILE 16 1HG1 ILE 16 7.366 4.050 0.210 144 HG13 ILE 16 2HG1 ILE 16 6.034 3.498 1.218 145 HG21 ILE 16 1HG2 ILE 16 6.511 3.570 -1.677 146 HG22 ILE 16 2HG2 ILE 16 6.588 1.933 -2.324 147 HG23 ILE 16 3HG2 ILE 16 5.120 2.498 -1.527 148 HD11 ILE 16 3HD1 ILE 16 8.819 2.407 1.460 149 HD12 ILE 16 1HD1 ILE 16 8.246 3.805 2.368 150 HD13 ILE 16 2HD1 ILE 16 7.476 2.233 2.589 151 H THR 17 H THR 17 6.699 -1.240 -0.127 152 HA THR 17 HA THR 17 5.796 -1.680 -2.709 153 HB THR 17 HB THR 17 5.988 -4.005 -0.837 154 HG1 THR 17 1HG THR 17 8.400 -3.677 -1.341 155 HG21 THR 17 3HG2 THR 17 6.696 -3.397 -3.684 156 HG22 THR 17 1HG2 THR 17 5.708 -4.705 -3.036 157 HG23 THR 17 2HG2 THR 17 7.461 -4.747 -2.844 158 H ASN 18 H ASN 18 4.331 -2.860 0.322 159 HA ASN 18 HA ASN 18 1.984 -3.797 -1.064 160 HB2 ASN 18 1HB ASN 18 3.132 -4.679 1.157 161 HB3 ASN 18 2HB ASN 18 2.053 -3.505 1.907 162 HD21 ASN 18 2HD2 ASN 18 2.211 -6.547 1.726 163 HD22 ASN 18 1HD2 ASN 18 0.596 -7.013 1.325 164 H TRP 19 H TRP 19 2.977 -0.934 0.613 165 HA TRP 19 HA TRP 19 0.579 0.172 1.418 166 HB2 TRP 19 2HB TRP 19 2.721 1.213 1.923 167 HB3 TRP 19 3HB TRP 19 2.977 1.572 0.218 168 HD1 TRP 19 1HD TRP 19 0.188 2.395 2.809 169 HE1 TRP 19 1HE TRP 19 -0.483 4.857 2.477 170 HE3 TRP 19 3HE TRP 19 3.301 3.570 -1.073 171 HZ2 TRP 19 2HZ TRP 19 0.215 7.013 0.794 172 HZ3 TRP 19 3HZ TRP 19 3.237 5.854 -1.986 173 HH2 TRP 19 2HH TRP 19 1.726 7.538 -1.071 174 H LEU 20 H LEU 20 2.059 0.221 -1.797 175 HA LEU 20 HA LEU 20 0.063 1.864 -2.982 176 HB2 LEU 20 1HB LEU 20 2.470 0.512 -3.796 177 HB3 LEU 20 2HB LEU 20 1.196 0.276 -4.990 178 HG LEU 20 HG LEU 20 1.045 2.962 -4.558 179 HD11 LEU 20 1HD1 LEU 20 3.915 2.852 -4.921 180 HD12 LEU 20 2HD1 LEU 20 3.426 2.259 -3.334 181 HD13 LEU 20 3HD1 LEU 20 2.948 3.875 -3.858 182 HD21 LEU 20 3HD2 LEU 20 2.515 1.297 -6.566 183 HD22 LEU 20 1HD2 LEU 20 2.518 3.057 -6.672 184 HD23 LEU 20 2HD2 LEU 20 0.993 2.172 -6.742 185 H TRP 21 H TRP 21 0.329 -1.528 -2.324 186 HA TRP 21 HA TRP 21 -1.772 -2.292 -4.152 187 HB2 TRP 21 2HB TRP 21 0.279 -3.642 -2.816 188 HB3 TRP 21 3HB TRP 21 -1.204 -4.239 -2.076 189 HD1 TRP 21 1HD TRP 21 0.410 -3.916 -5.579 190 HE1 TRP 21 1HE TRP 21 -0.514 -5.810 -7.057 191 HE3 TRP 21 3HE TRP 21 -2.993 -5.904 -2.322 192 HZ2 TRP 21 2HZ TRP 21 -2.431 -7.874 -6.869 193 HZ3 TRP 21 3HZ TRP 21 -4.332 -7.837 -3.049 194 HH2 TRP 21 2HH TRP 21 -4.055 -8.799 -5.275 195 H TYR 22 H TYR 22 -1.495 -1.306 -0.843 196 HA TYR 22 HA TYR 22 -4.054 -2.337 -0.030 197 HB2 TYR 22 2HB TYR 22 -2.270 -2.057 1.613 198 HB3 TYR 22 3HB TYR 22 -2.215 -0.328 1.290 199 HD1 TYR 22 2HD TYR 22 -4.021 1.140 2.069 200 HD2 TYR 22 1HD TYR 22 -4.001 -3.015 2.986 201 HE1 TYR 22 2HE TYR 22 -5.705 1.524 3.820 202 HE2 TYR 22 1HE TYR 22 -5.687 -2.643 4.739 203 HH TYR 22 HH TYR 22 -6.306 -0.035 6.170 204 H ILE 23 H ILE 23 -2.758 0.785 -1.050 205 HA ILE 23 HA ILE 23 -5.027 2.346 -0.513 206 HB ILE 23 HB ILE 23 -4.121 3.942 -2.159 207 HG12 ILE 23 1HG1 ILE 23 -1.943 1.905 -2.641 208 HG13 ILE 23 2HG1 ILE 23 -3.303 2.142 -3.734 209 HG21 ILE 23 1HG2 ILE 23 -1.614 3.320 -0.893 210 HG22 ILE 23 2HG2 ILE 23 -2.737 4.640 -0.568 211 HG23 ILE 23 3HG2 ILE 23 -2.954 3.081 0.228 212 HD11 ILE 23 3HD1 ILE 23 -2.569 4.232 -4.396 213 HD12 ILE 23 1HD1 ILE 23 -1.554 4.438 -2.968 214 HD13 ILE 23 2HD1 ILE 23 -1.072 3.314 -4.238 215 H LYS 24 H LYS 24 -4.332 0.100 -3.050 216 HA LYS 24 HA LYS 24 -6.323 1.074 -4.874 217 HB2 LYS 24 1HB LYS 24 -4.699 -1.463 -4.740 218 HB3 LYS 24 2HB LYS 24 -5.916 -1.193 -5.980 219 HG2 LYS 24 1HG LYS 24 -4.715 0.756 -6.774 220 HG3 LYS 24 2HG LYS 24 -3.520 0.565 -5.489 221 HD2 LYS 24 1HD LYS 24 -3.100 -1.757 -6.451 222 HD3 LYS 24 2HD LYS 24 -4.024 -1.221 -7.856 223 HE2 LYS 24 1HE LYS 24 -1.633 0.260 -6.779 224 HE3 LYS 24 2HE LYS 24 -1.521 -0.975 -8.031 225 HZ1 LYS 24 3HZ LYS 24 -3.489 1.087 -8.526 226 HZ2 LYS 24 1HZ LYS 24 -2.352 0.399 -9.574 227 HZ3 LYS 24 2HZ LYS 24 -1.887 1.631 -8.514 228 H LEU 25 H LEU 25 -6.078 -1.925 -2.951 229 HA LEU 25 HA LEU 25 -8.732 -2.739 -3.384 230 HB2 LEU 25 1HB LEU 25 -8.355 -4.174 -1.360 231 HB3 LEU 25 2HB LEU 25 -7.178 -4.359 -2.659 232 HG LEU 25 HG LEU 25 -5.931 -2.526 -1.096 233 HD11 LEU 25 1HD1 LEU 25 -7.241 -4.417 0.843 234 HD12 LEU 25 2HD1 LEU 25 -7.803 -2.768 0.570 235 HD13 LEU 25 3HD1 LEU 25 -6.181 -3.053 1.198 236 HD21 LEU 25 3HD2 LEU 25 -5.667 -5.438 -0.462 237 HD22 LEU 25 1HD2 LEU 25 -4.413 -4.210 -0.633 238 HD23 LEU 25 2HD2 LEU 25 -5.239 -4.829 -2.062 239 H PHE 26 H PHE 26 -7.260 -0.722 -0.905 240 HA PHE 26 HA PHE 26 -9.292 -0.595 0.958 241 HB2 PHE 26 2HB PHE 26 -7.179 0.467 1.397 242 HB3 PHE 26 3HB PHE 26 -7.389 1.563 0.035 243 HD1 PHE 26 2HD PHE 26 -9.586 0.575 2.884 244 HD2 PHE 26 1HD PHE 26 -7.632 3.716 0.781 245 HE1 PHE 26 2HE PHE 26 -10.635 2.223 4.379 246 HE2 PHE 26 1HE PHE 26 -8.677 5.370 2.273 247 HZ PHE 26 HZ PHE 26 -10.182 4.624 4.074 248 H ILE 27 H ILE 27 -8.795 1.743 -1.694 249 HA ILE 27 HA ILE 27 -11.184 3.129 -1.381 250 HB ILE 27 HB ILE 27 -9.675 2.638 -3.952 251 HG12 ILE 27 1HG1 ILE 27 -8.300 3.638 -2.157 252 HG13 ILE 27 2HG1 ILE 27 -8.569 4.760 -3.486 253 HG21 ILE 27 1HG2 ILE 27 -12.084 4.155 -3.325 254 HG22 ILE 27 2HG2 ILE 27 -10.838 5.116 -4.121 255 HG23 ILE 27 3HG2 ILE 27 -11.439 3.644 -4.884 256 HD11 ILE 27 3HD1 ILE 27 -9.107 5.110 -0.729 257 HD12 ILE 27 1HD1 ILE 27 -9.340 6.249 -2.053 258 HD13 ILE 27 2HD1 ILE 27 -10.640 5.147 -1.600 259 H MET 28 H MET 28 -10.527 0.092 -2.980 260 HA MET 28 HA MET 28 -12.950 -0.074 -4.446 261 HB2 MET 28 1HB MET 28 -10.797 -1.434 -4.766 262 HB3 MET 28 2HB MET 28 -11.378 -2.440 -3.446 263 HG2 MET 28 1HG MET 28 -13.557 -2.339 -5.084 264 HG3 MET 28 2HG MET 28 -12.224 -2.320 -6.236 265 HE1 MET 28 3HE MET 28 -13.772 -4.160 -3.155 266 HE2 MET 28 1HE MET 28 -14.654 -4.557 -4.631 267 HE3 MET 28 2HE MET 28 -13.744 -5.809 -3.783 268 H ILE 29 H ILE 29 -11.967 -1.185 -1.237 269 HA ILE 29 HA ILE 29 -14.430 -2.533 -0.694 270 HB ILE 29 HB ILE 29 -12.297 -1.585 1.225 271 HG12 ILE 29 1HG1 ILE 29 -12.534 -4.451 0.687 272 HG13 ILE 29 2HG1 ILE 29 -12.097 -3.518 -0.739 273 HG21 ILE 29 1HG2 ILE 29 -14.193 -1.941 2.535 274 HG22 ILE 29 2HG2 ILE 29 -14.719 -3.317 1.566 275 HG23 ILE 29 3HG2 ILE 29 -13.322 -3.472 2.632 276 HD11 ILE 29 3HD1 ILE 29 -10.581 -3.997 1.758 277 HD12 ILE 29 1HD1 ILE 29 -10.030 -3.959 0.083 278 HD13 ILE 29 2HD1 ILE 29 -10.361 -2.451 0.938 279 H VAL 30 H VAL 30 -13.135 0.674 -0.043 280 HA VAL 30 HA VAL 30 -14.935 1.624 1.820 281 HB VAL 30 HB VAL 30 -13.766 3.158 -0.506 282 HG11 VAL 30 1HG1 VAL 30 -15.296 4.663 0.239 283 HG12 VAL 30 2HG1 VAL 30 -15.369 3.959 1.856 284 HG13 VAL 30 3HG1 VAL 30 -14.016 4.997 1.404 285 HG21 VAL 30 3HG2 VAL 30 -12.432 1.898 1.550 286 HG22 VAL 30 1HG2 VAL 30 -11.815 3.234 0.578 287 HG23 VAL 30 2HG2 VAL 30 -12.593 3.557 2.128 288 H GLY 31 H GLY 31 -15.287 1.503 -1.709 289 HA2 GLY 31 1HA GLY 31 -17.727 2.859 -1.908 290 HA3 GLY 31 2HA GLY 31 -17.140 1.662 -3.054 291 H LYS 32 H LYS 32 -17.032 -0.428 -0.961 292 HA LYS 32 HA LYS 32 -19.643 -1.469 -1.327 293 HB2 LYS 32 1HB LYS 32 -17.596 -2.430 0.672 294 HB3 LYS 32 2HB LYS 32 -18.898 -3.360 -0.058 295 HG2 LYS 32 1HG LYS 32 -16.492 -2.256 -1.492 296 HG3 LYS 32 2HG LYS 32 -16.754 -3.940 -1.035 297 HD2 LYS 32 1HD LYS 32 -19.000 -3.544 -2.413 298 HD3 LYS 32 2HD LYS 32 -17.986 -2.339 -3.211 299 HE2 LYS 32 1HE LYS 32 -17.401 -4.091 -4.507 300 HE3 LYS 32 2HE LYS 32 -16.292 -4.431 -3.179 301 HZ1 LYS 32 3HZ LYS 32 -18.272 -5.775 -2.254 302 HZ2 LYS 32 1HZ LYS 32 -17.335 -6.442 -3.495 303 HZ3 LYS 32 2HZ LYS 32 -18.837 -5.749 -3.848 304 H LYS 33 H LYS 33 -17.937 -0.422 1.625 305 HA LYS 33 HA LYS 33 -20.028 -0.717 3.418 306 HB2 LYS 33 1HB LYS 33 -17.899 1.431 3.454 307 HB3 LYS 33 2HB LYS 33 -18.857 0.903 4.831 308 HG2 LYS 33 1HG LYS 33 -16.952 -0.852 3.297 309 HG3 LYS 33 2HG LYS 33 -16.571 -0.024 4.809 310 HD2 LYS 33 1HD LYS 33 -18.816 -2.010 4.467 311 HD3 LYS 33 2HD LYS 33 -17.219 -2.409 5.105 312 HE2 LYS 33 1HE LYS 33 -18.249 -0.126 6.486 313 HE3 LYS 33 2HE LYS 33 -19.460 -1.408 6.501 314 HZ1 LYS 33 3HZ LYS 33 -16.866 -1.297 7.795 315 HZ2 LYS 33 1HZ LYS 33 -17.268 -2.788 7.103 316 HZ3 LYS 33 2HZ LYS 33 -18.280 -2.095 8.268 317 H LYS 34 H LYS 34 -19.324 1.930 1.211 318 HA LYS 34 HA LYS 34 -21.101 3.839 2.198 319 HB2 LYS 34 1HB LYS 34 -19.547 3.433 -0.194 320 HB3 LYS 34 2HB LYS 34 -21.136 4.062 -0.611 321 HG2 LYS 34 1HG LYS 34 -19.565 5.354 1.571 322 HG3 LYS 34 2HG LYS 34 -19.174 5.691 -0.118 323 HD2 LYS 34 1HD LYS 34 -20.885 7.101 -0.268 324 HD3 LYS 34 2HD LYS 34 -22.009 5.841 0.246 325 HE2 LYS 34 1HE LYS 34 -22.346 7.269 1.969 326 HE3 LYS 34 2HE LYS 34 -20.923 6.453 2.617 327 HZ1 LYS 34 3HZ LYS 34 -19.772 8.333 2.533 328 HZ2 LYS 34 1HZ LYS 34 -21.209 9.146 2.162 329 HZ3 LYS 34 2HZ LYS 34 -20.193 8.616 0.919 330 H LYS 35 H LYS 35 -21.633 1.208 -0.113 331 HA LYS 35 HA LYS 35 -24.339 1.868 -0.665 332 HB2 LYS 35 1HB LYS 35 -22.478 -0.307 -1.308 333 HB3 LYS 35 2HB LYS 35 -24.153 -0.827 -1.166 334 HG2 LYS 35 1HG LYS 35 -24.838 0.416 -2.969 335 HG3 LYS 35 2HG LYS 35 -23.519 1.577 -2.807 336 HD2 LYS 35 1HD LYS 35 -22.260 0.431 -4.240 337 HD3 LYS 35 2HD LYS 35 -22.478 -1.057 -3.315 338 HE2 LYS 35 1HE LYS 35 -24.826 -0.259 -4.868 339 HE3 LYS 35 2HE LYS 35 -23.406 -0.615 -5.849 340 HZ1 LYS 35 3HZ LYS 35 -24.650 -2.416 -3.842 341 HZ2 LYS 35 1HZ LYS 35 -23.233 -2.758 -4.701 342 HZ3 LYS 35 2HZ LYS 35 -24.703 -2.599 -5.523 343 H LYS 36 H LYS 36 -26.069 1.610 0.572 344 HA LYS 36 HA LYS 36 -25.881 -0.154 2.911 345 HB2 LYS 36 1HB LYS 36 -26.557 2.400 2.939 346 HB3 LYS 36 2HB LYS 36 -28.139 1.763 2.510 347 HG2 LYS 36 1HG LYS 36 -28.493 0.895 4.555 348 HG3 LYS 36 2HG LYS 36 -26.803 0.437 4.773 349 HD2 LYS 36 1HD LYS 36 -26.296 2.882 5.095 350 HD3 LYS 36 2HD LYS 36 -28.037 3.164 5.128 351 HE2 LYS 36 1HE LYS 36 -28.297 2.163 7.164 352 HE3 LYS 36 2HE LYS 36 -26.941 1.064 6.919 353 HZ1 LYS 36 3HZ LYS 36 -26.095 2.490 8.475 354 HZ2 LYS 36 1HZ LYS 36 -26.934 3.836 7.885 355 HZ3 LYS 36 2HZ LYS 36 -25.575 3.257 7.060 Start of MODEL 9 1 H1 LYS 1 H LYS 1 21.062 13.654 5.888 2 HA LYS 1 HA LYS 1 23.247 12.731 6.434 3 HB2 LYS 1 1HB LYS 1 20.804 11.115 6.619 4 HB3 LYS 1 2HB LYS 1 22.288 10.174 6.705 5 HG2 LYS 1 1HG LYS 1 21.609 12.524 8.463 6 HG3 LYS 1 2HG LYS 1 21.474 10.824 8.917 7 HD2 LYS 1 1HD LYS 1 23.940 10.621 8.389 8 HD3 LYS 1 2HD LYS 1 23.971 12.383 8.287 9 HE2 LYS 1 1HE LYS 1 24.604 11.983 10.482 10 HE3 LYS 1 2HE LYS 1 22.877 12.304 10.626 11 HZ1 LYS 1 3HZ LYS 1 24.347 9.855 11.099 12 HZ2 LYS 1 1HZ LYS 1 22.887 9.660 10.265 13 HZ3 LYS 1 2HZ LYS 1 22.900 10.400 11.786 14 H LYS 2 H LYS 2 21.586 10.444 4.255 15 HA LYS 2 HA LYS 2 22.359 9.092 2.597 16 HB2 LYS 2 1HB LYS 2 24.532 11.155 2.225 17 HB3 LYS 2 2HB LYS 2 23.899 10.039 1.022 18 HG2 LYS 2 1HG LYS 2 22.274 12.221 2.307 19 HG3 LYS 2 2HG LYS 2 23.123 12.389 0.769 20 HD2 LYS 2 1HD LYS 2 21.773 10.134 0.267 21 HD3 LYS 2 2HD LYS 2 20.672 10.865 1.437 22 HE2 LYS 2 1HE LYS 2 21.548 12.844 -0.444 23 HE3 LYS 2 2HE LYS 2 20.921 11.441 -1.307 24 HZ1 LYS 2 3HZ LYS 2 19.073 11.769 0.600 25 HZ2 LYS 2 1HZ LYS 2 18.959 12.432 -0.952 26 HZ3 LYS 2 2HZ LYS 2 19.528 13.376 0.331 27 H LYS 3 H LYS 3 22.969 7.476 4.132 28 HA LYS 3 HA LYS 3 25.680 7.375 5.102 29 HB2 LYS 3 1HB LYS 3 23.369 5.441 5.229 30 HB3 LYS 3 2HB LYS 3 24.958 5.064 5.881 31 HG2 LYS 3 1HG LYS 3 24.163 7.605 6.874 32 HG3 LYS 3 2HG LYS 3 22.837 6.464 7.113 33 HD2 LYS 3 1HD LYS 3 25.548 5.494 7.786 34 HD3 LYS 3 2HD LYS 3 24.875 6.741 8.839 35 HE2 LYS 3 1HE LYS 3 23.756 5.133 9.891 36 HE3 LYS 3 2HE LYS 3 22.792 4.933 8.429 37 HZ1 LYS 3 3HZ LYS 3 23.856 2.863 9.280 38 HZ2 LYS 3 1HZ LYS 3 25.362 3.528 8.892 39 HZ3 LYS 3 2HZ LYS 3 24.230 3.227 7.671 40 H LYS 4 H LYS 4 27.043 5.426 4.720 41 HA LYS 4 HA LYS 4 27.709 5.152 2.037 42 HB2 LYS 4 1HB LYS 4 28.581 4.046 4.552 43 HB3 LYS 4 2HB LYS 4 28.572 2.796 3.315 44 HG2 LYS 4 1HG LYS 4 29.765 5.347 2.489 45 HG3 LYS 4 2HG LYS 4 30.627 4.490 3.769 46 HD2 LYS 4 1HD LYS 4 31.572 3.670 1.792 47 HD3 LYS 4 2HD LYS 4 30.413 2.424 2.263 48 HE2 LYS 4 1HE LYS 4 29.095 2.798 0.475 49 HE3 LYS 4 2HE LYS 4 29.337 4.543 0.531 50 HZ1 LYS 4 3HZ LYS 4 31.615 4.094 -0.386 51 HZ2 LYS 4 1HZ LYS 4 30.333 3.787 -1.448 52 HZ3 LYS 4 2HZ LYS 4 31.116 2.503 -0.674 53 H ASP 5 H ASP 5 25.619 3.165 4.063 54 HA ASP 5 HA ASP 5 25.189 1.209 1.984 55 HB2 ASP 5 1HB ASP 5 24.036 1.616 4.738 56 HB3 ASP 5 2HB ASP 5 23.407 0.390 3.641 57 H LYS 6 H LYS 6 24.230 2.159 0.239 58 HA LYS 6 HA LYS 6 22.029 3.972 0.476 59 HB2 LYS 6 1HB LYS 6 23.569 2.728 -1.727 60 HB3 LYS 6 2HB LYS 6 21.919 3.202 -2.109 61 HG2 LYS 6 1HG LYS 6 23.875 5.086 -0.832 62 HG3 LYS 6 2HG LYS 6 23.736 4.898 -2.581 63 HD2 LYS 6 1HD LYS 6 21.289 5.431 -0.951 64 HD3 LYS 6 2HD LYS 6 22.379 6.760 -1.351 65 HE2 LYS 6 1HE LYS 6 21.364 4.890 -3.464 66 HE3 LYS 6 2HE LYS 6 20.402 6.267 -2.927 67 HZ1 LYS 6 3HZ LYS 6 22.729 7.456 -3.374 68 HZ2 LYS 6 1HZ LYS 6 21.536 7.291 -4.563 69 HZ3 LYS 6 2HZ LYS 6 22.837 6.211 -4.513 70 H TRP 7 H TRP 7 22.390 0.534 -0.189 71 HA TRP 7 HA TRP 7 19.770 -0.023 -0.994 72 HB2 TRP 7 2HB TRP 7 20.254 -2.334 -0.467 73 HB3 TRP 7 3HB TRP 7 21.690 -1.599 -1.176 74 HD1 TRP 7 1HD TRP 7 23.829 -1.324 0.381 75 HE1 TRP 7 1HE TRP 7 24.469 -2.358 2.648 76 HE3 TRP 7 3HE TRP 7 19.249 -3.114 1.779 77 HZ2 TRP 7 2HZ TRP 7 23.201 -3.750 4.752 78 HZ3 TRP 7 3HZ TRP 7 19.048 -4.285 3.934 79 HH2 TRP 7 2HH TRP 7 20.985 -4.597 5.387 80 H ALA 8 H ALA 8 21.154 0.455 2.177 81 HA ALA 8 HA ALA 8 19.229 -0.693 3.803 82 HB1 ALA 8 3HB ALA 8 20.048 1.780 4.966 83 HB2 ALA 8 1HB ALA 8 20.554 0.139 5.373 84 HB3 ALA 8 2HB ALA 8 21.423 1.048 4.137 85 H SER 9 H SER 9 19.164 2.359 2.069 86 HA SER 9 HA SER 9 16.843 3.393 3.354 87 HB2 SER 9 1HB SER 9 18.678 4.594 1.897 88 HB3 SER 9 2HB SER 9 17.593 4.190 0.566 89 HG SER 9 HG SER 9 16.502 5.876 1.157 90 H LEU 10 H LEU 10 17.407 1.509 0.427 91 HA LEU 10 HA LEU 10 14.791 1.632 -0.605 92 HB2 LEU 10 1HB LEU 10 17.137 0.636 -1.491 93 HB3 LEU 10 2HB LEU 10 16.316 -0.855 -1.036 94 HG LEU 10 HG LEU 10 14.759 1.009 -2.714 95 HD11 LEU 10 1HD1 LEU 10 15.975 0.907 -4.615 96 HD12 LEU 10 2HD1 LEU 10 16.683 -0.658 -4.212 97 HD13 LEU 10 3HD1 LEU 10 17.318 0.813 -3.475 98 HD21 LEU 10 3HD2 LEU 10 14.581 -1.378 -3.883 99 HD22 LEU 10 1HD2 LEU 10 13.623 -0.939 -2.469 100 HD23 LEU 10 2HD2 LEU 10 15.087 -1.902 -2.276 101 H TRP 11 H TRP 11 16.212 -0.252 1.935 102 HA TRP 11 HA TRP 11 14.493 -2.423 2.078 103 HB2 TRP 11 2HB TRP 11 16.537 -2.089 3.474 104 HB3 TRP 11 3HB TRP 11 15.642 -0.914 4.434 105 HD1 TRP 11 1HD TRP 11 16.019 -4.656 3.873 106 HE1 TRP 11 1HE TRP 11 14.737 -5.912 5.719 107 HE3 TRP 11 3HE TRP 11 13.589 -0.698 6.010 108 HZ2 TRP 11 2HZ TRP 11 12.934 -5.305 7.804 109 HZ3 TRP 11 3HZ TRP 11 12.105 -1.121 7.926 110 HH2 TRP 11 2HH TRP 11 11.785 -3.377 8.802 111 H ASN 12 H ASN 12 14.021 0.890 3.148 112 HA ASN 12 HA ASN 12 11.684 0.460 4.670 113 HB2 ASN 12 1HB ASN 12 13.310 2.630 4.089 114 HB3 ASN 12 2HB ASN 12 11.778 3.050 3.329 115 HD21 ASN 12 2HD2 ASN 12 13.295 2.105 6.349 116 HD22 ASN 12 1HD2 ASN 12 12.099 2.802 7.384 117 H TRP 13 H TRP 13 12.257 0.826 1.254 118 HA TRP 13 HA TRP 13 9.694 1.518 0.388 119 HB2 TRP 13 2HB TRP 13 11.804 1.439 -1.003 120 HB3 TRP 13 3HB TRP 13 11.596 -0.309 -1.087 121 HD1 TRP 13 1HD TRP 13 9.935 2.952 -2.274 122 HE1 TRP 13 1HE TRP 13 8.434 2.408 -4.294 123 HE3 TRP 13 3HE TRP 13 10.327 -2.146 -2.228 124 HZ2 TRP 13 2HZ TRP 13 7.536 0.121 -5.683 125 HZ3 TRP 13 3HZ TRP 13 9.115 -3.438 -3.935 126 HH2 TRP 13 2HH TRP 13 7.749 -2.326 -5.626 127 H PHE 14 H PHE 14 10.895 -1.432 1.682 128 HA PHE 14 HA PHE 14 9.275 -3.355 0.550 129 HB2 PHE 14 2HB PHE 14 11.061 -3.857 2.163 130 HB3 PHE 14 3HB PHE 14 10.100 -3.144 3.454 131 HD1 PHE 14 1HD PHE 14 10.388 -5.979 1.136 132 HD2 PHE 14 2HD PHE 14 8.294 -4.335 4.457 133 HE1 PHE 14 1HE PHE 14 9.333 -8.164 1.548 134 HE2 PHE 14 2HE PHE 14 7.236 -6.518 4.875 135 HZ PHE 14 HZ PHE 14 7.757 -8.435 3.421 136 H ASP 15 H ASP 15 8.563 -1.534 3.534 137 HA ASP 15 HA ASP 15 5.966 -2.470 3.901 138 HB2 ASP 15 1HB ASP 15 7.318 -1.156 5.558 139 HB3 ASP 15 2HB ASP 15 6.961 0.293 4.621 140 H ILE 16 H ILE 16 7.168 0.211 1.956 141 HA ILE 16 HA ILE 16 4.630 1.290 1.297 142 HB ILE 16 HB ILE 16 7.321 1.527 -0.038 143 HG12 ILE 16 1HG1 ILE 16 6.911 3.956 0.787 144 HG13 ILE 16 2HG1 ILE 16 5.681 3.232 1.818 145 HG21 ILE 16 1HG2 ILE 16 4.656 2.419 -0.949 146 HG22 ILE 16 2HG2 ILE 16 5.968 3.587 -1.080 147 HG23 ILE 16 3HG2 ILE 16 6.101 2.021 -1.879 148 HD11 ILE 16 3HD1 ILE 16 7.280 1.950 2.982 149 HD12 ILE 16 1HD1 ILE 16 8.536 2.306 1.797 150 HD13 ILE 16 2HD1 ILE 16 7.939 3.581 2.861 151 H THR 17 H THR 17 6.541 -1.317 0.010 152 HA THR 17 HA THR 17 5.504 -1.587 -2.543 153 HB THR 17 HB THR 17 5.953 -4.049 -0.905 154 HG1 THR 17 1HG THR 17 8.258 -3.654 -1.259 155 HG21 THR 17 3HG2 THR 17 6.440 -3.152 -3.721 156 HG22 THR 17 1HG2 THR 17 5.576 -4.574 -3.138 157 HG23 THR 17 2HG2 THR 17 7.337 -4.516 -3.054 158 H ASN 18 H ASN 18 4.282 -3.038 0.473 159 HA ASN 18 HA ASN 18 1.942 -4.084 -0.839 160 HB2 ASN 18 1HB ASN 18 3.305 -4.693 1.497 161 HB3 ASN 18 2HB ASN 18 1.816 -3.951 2.075 162 HD21 ASN 18 2HD2 ASN 18 2.627 -6.677 2.368 163 HD22 ASN 18 1HD2 ASN 18 1.442 -7.648 1.570 164 H TRP 19 H TRP 19 2.795 -1.230 0.956 165 HA TRP 19 HA TRP 19 0.319 -0.336 1.817 166 HB2 TRP 19 2HB TRP 19 2.434 0.768 2.402 167 HB3 TRP 19 3HB TRP 19 2.610 1.322 0.739 168 HD1 TRP 19 1HD TRP 19 -0.095 1.672 3.518 169 HE1 TRP 19 1HE TRP 19 -0.977 4.089 3.451 170 HE3 TRP 19 3HE TRP 19 2.668 3.436 -0.405 171 HZ2 TRP 19 2HZ TRP 19 -0.557 6.433 1.936 172 HZ3 TRP 19 3HZ TRP 19 2.368 5.777 -1.100 173 HH2 TRP 19 2HH TRP 19 0.787 7.243 0.047 174 H LEU 20 H LEU 20 1.921 0.399 -1.283 175 HA LEU 20 HA LEU 20 -0.167 1.883 -2.398 176 HB2 LEU 20 1HB LEU 20 2.259 0.553 -3.353 177 HB3 LEU 20 2HB LEU 20 0.988 0.682 -4.566 178 HG LEU 20 HG LEU 20 1.071 3.223 -3.561 179 HD11 LEU 20 1HD1 LEU 20 3.942 2.749 -3.984 180 HD12 LEU 20 2HD1 LEU 20 3.292 2.168 -2.452 181 HD13 LEU 20 3HD1 LEU 20 3.120 3.866 -2.896 182 HD21 LEU 20 3HD2 LEU 20 2.873 2.408 -5.806 183 HD22 LEU 20 1HD2 LEU 20 1.828 3.823 -5.665 184 HD23 LEU 20 2HD2 LEU 20 1.124 2.231 -5.954 185 H TRP 21 H TRP 21 0.239 -1.535 -2.013 186 HA TRP 21 HA TRP 21 -1.782 -2.242 -3.947 187 HB2 TRP 21 2HB TRP 21 0.279 -3.606 -2.592 188 HB3 TRP 21 3HB TRP 21 -1.228 -4.345 -2.055 189 HD1 TRP 21 1HD TRP 21 1.081 -4.110 -5.033 190 HE1 TRP 21 1HE TRP 21 0.227 -5.661 -6.900 191 HE3 TRP 21 3HE TRP 21 -3.482 -5.309 -3.066 192 HZ2 TRP 21 2HZ TRP 21 -2.077 -7.192 -7.464 193 HZ3 TRP 21 3HZ TRP 21 -4.951 -6.823 -4.332 194 HH2 TRP 21 2HH TRP 21 -4.262 -7.744 -6.485 195 H TYR 22 H TYR 22 -1.626 -1.521 -0.560 196 HA TYR 22 HA TYR 22 -4.175 -2.699 0.078 197 HB2 TYR 22 2HB TYR 22 -2.384 -2.505 1.766 198 HB3 TYR 22 3HB TYR 22 -2.487 -0.751 1.664 199 HD1 TYR 22 2HD TYR 22 -4.237 -3.803 2.763 200 HD2 TYR 22 1HD TYR 22 -4.231 0.453 2.776 201 HE1 TYR 22 2HE TYR 22 -5.975 -3.811 4.503 202 HE2 TYR 22 1HE TYR 22 -5.969 0.455 4.518 203 HH TYR 22 HH TYR 22 -6.719 -1.229 6.371 204 H ILE 23 H ILE 23 -2.932 0.533 -0.603 205 HA ILE 23 HA ILE 23 -5.271 1.971 0.013 206 HB ILE 23 HB ILE 23 -4.345 3.769 -1.375 207 HG12 ILE 23 1HG1 ILE 23 -2.155 1.808 -2.085 208 HG13 ILE 23 2HG1 ILE 23 -3.462 2.267 -3.171 209 HG21 ILE 23 1HG2 ILE 23 -2.954 4.298 0.283 210 HG22 ILE 23 2HG2 ILE 23 -3.252 2.683 0.925 211 HG23 ILE 23 3HG2 ILE 23 -1.860 2.974 -0.116 212 HD11 ILE 23 3HD1 ILE 23 -1.592 4.280 -1.972 213 HD12 ILE 23 1HD1 ILE 23 -1.246 3.440 -3.483 214 HD13 ILE 23 2HD1 ILE 23 -2.672 4.469 -3.354 215 H LYS 24 H LYS 24 -4.385 0.044 -2.724 216 HA LYS 24 HA LYS 24 -6.303 1.155 -4.536 217 HB2 LYS 24 1HB LYS 24 -4.609 -1.332 -4.547 218 HB3 LYS 24 2HB LYS 24 -5.816 -1.044 -5.793 219 HG2 LYS 24 1HG LYS 24 -4.690 1.091 -6.333 220 HG3 LYS 24 2HG LYS 24 -3.438 0.688 -5.157 221 HD2 LYS 24 1HD LYS 24 -2.975 -1.387 -6.437 222 HD3 LYS 24 2HD LYS 24 -4.143 -0.858 -7.650 223 HE2 LYS 24 1HE LYS 24 -2.152 -0.132 -8.562 224 HE3 LYS 24 2HE LYS 24 -2.701 1.307 -7.704 225 HZ1 LYS 24 3HZ LYS 24 -0.266 0.199 -7.437 226 HZ2 LYS 24 1HZ LYS 24 -1.081 -0.478 -6.118 227 HZ3 LYS 24 2HZ LYS 24 -0.993 1.203 -6.286 228 H LEU 25 H LEU 25 -6.127 -1.958 -2.800 229 HA LEU 25 HA LEU 25 -8.743 -2.773 -3.479 230 HB2 LEU 25 1HB LEU 25 -8.461 -4.391 -1.602 231 HB3 LEU 25 2HB LEU 25 -7.175 -4.420 -2.807 232 HG LEU 25 HG LEU 25 -6.061 -2.760 -1.020 233 HD11 LEU 25 1HD1 LEU 25 -6.707 -3.037 1.131 234 HD12 LEU 25 2HD1 LEU 25 -7.258 -4.691 0.873 235 HD13 LEU 25 3HD1 LEU 25 -8.266 -3.338 0.366 236 HD21 LEU 25 3HD2 LEU 25 -4.821 -4.698 -0.194 237 HD22 LEU 25 1HD2 LEU 25 -5.059 -4.786 -1.939 238 HD23 LEU 25 2HD2 LEU 25 -6.048 -5.774 -0.864 239 H PHE 26 H PHE 26 -7.427 -1.001 -0.733 240 HA PHE 26 HA PHE 26 -9.580 -1.043 0.995 241 HB2 PHE 26 2HB PHE 26 -7.481 -0.054 1.662 242 HB3 PHE 26 3HB PHE 26 -7.627 1.194 0.428 243 HD1 PHE 26 2HD PHE 26 -9.019 -0.043 3.611 244 HD2 PHE 26 1HD PHE 26 -8.868 3.164 0.817 245 HE1 PHE 26 2HE PHE 26 -10.154 1.418 5.232 246 HE2 PHE 26 1HE PHE 26 -10.003 4.631 2.434 247 HZ PHE 26 HZ PHE 26 -10.648 3.758 4.645 248 H ILE 27 H ILE 27 -8.888 1.576 -1.329 249 HA ILE 27 HA ILE 27 -11.312 2.915 -1.049 250 HB ILE 27 HB ILE 27 -9.593 2.756 -3.527 251 HG12 ILE 27 1HG1 ILE 27 -8.363 3.497 -1.513 252 HG13 ILE 27 2HG1 ILE 27 -8.531 4.789 -2.697 253 HG21 ILE 27 1HG2 ILE 27 -11.818 4.595 -2.704 254 HG22 ILE 27 2HG2 ILE 27 -10.606 5.069 -3.893 255 HG23 ILE 27 3HG2 ILE 27 -11.643 3.675 -4.198 256 HD11 ILE 27 3HD1 ILE 27 -10.280 5.808 -1.408 257 HD12 ILE 27 1HD1 ILE 27 -10.283 4.456 -0.275 258 HD13 ILE 27 2HD1 ILE 27 -8.883 5.525 -0.371 259 H MET 28 H MET 28 -10.537 0.026 -2.796 260 HA MET 28 HA MET 28 -12.798 0.062 -4.540 261 HB2 MET 28 1HB MET 28 -10.662 -1.243 -4.901 262 HB3 MET 28 2HB MET 28 -11.223 -2.358 -3.664 263 HG2 MET 28 1HG MET 28 -13.374 -2.217 -5.347 264 HG3 MET 28 2HG MET 28 -12.010 -2.101 -6.455 265 HE1 MET 28 3HE MET 28 -14.439 -4.494 -5.198 266 HE2 MET 28 1HE MET 28 -13.569 -5.770 -4.345 267 HE3 MET 28 2HE MET 28 -13.710 -4.166 -3.626 268 H ILE 29 H ILE 29 -12.142 -1.219 -1.339 269 HA ILE 29 HA ILE 29 -14.631 -2.667 -1.191 270 HB ILE 29 HB ILE 29 -12.663 -1.983 0.996 271 HG12 ILE 29 1HG1 ILE 29 -12.858 -4.764 0.127 272 HG13 ILE 29 2HG1 ILE 29 -12.322 -3.689 -1.160 273 HG21 ILE 29 1HG2 ILE 29 -14.728 -2.450 2.034 274 HG22 ILE 29 2HG2 ILE 29 -15.072 -3.778 0.927 275 HG23 ILE 29 3HG2 ILE 29 -13.796 -3.944 2.133 276 HD11 ILE 29 3HD1 ILE 29 -10.295 -4.052 -0.300 277 HD12 ILE 29 1HD1 ILE 29 -10.775 -2.852 0.900 278 HD13 ILE 29 2HD1 ILE 29 -10.937 -4.572 1.258 279 H VAL 30 H VAL 30 -13.362 0.412 -0.043 280 HA VAL 30 HA VAL 30 -15.320 1.169 1.747 281 HB VAL 30 HB VAL 30 -13.944 2.973 -0.247 282 HG11 VAL 30 1HG1 VAL 30 -15.250 3.585 2.401 283 HG12 VAL 30 2HG1 VAL 30 -14.345 4.734 1.414 284 HG13 VAL 30 3HG1 VAL 30 -15.853 4.045 0.810 285 HG21 VAL 30 3HG2 VAL 30 -12.060 2.513 0.839 286 HG22 VAL 30 1HG2 VAL 30 -12.781 3.189 2.300 287 HG23 VAL 30 2HG2 VAL 30 -12.920 1.463 1.966 288 H GLY 31 H GLY 31 -15.326 1.494 -1.787 289 HA2 GLY 31 1HA GLY 31 -17.640 2.966 -2.135 290 HA3 GLY 31 2HA GLY 31 -17.065 1.750 -3.266 291 H LYS 32 H LYS 32 -17.311 -0.380 -1.212 292 HA LYS 32 HA LYS 32 -20.014 -1.112 -1.791 293 HB2 LYS 32 1HB LYS 32 -17.986 -2.429 0.025 294 HB3 LYS 32 2HB LYS 32 -19.504 -3.146 -0.496 295 HG2 LYS 32 1HG LYS 32 -18.728 -3.056 -2.826 296 HG3 LYS 32 2HG LYS 32 -17.190 -2.389 -2.270 297 HD2 LYS 32 1HD LYS 32 -16.445 -4.389 -1.549 298 HD3 LYS 32 2HD LYS 32 -18.026 -4.867 -0.927 299 HE2 LYS 32 1HE LYS 32 -18.685 -5.124 -3.400 300 HE3 LYS 32 2HE LYS 32 -16.952 -5.091 -3.719 301 HZ1 LYS 32 3HZ LYS 32 -16.676 -7.139 -2.881 302 HZ2 LYS 32 1HZ LYS 32 -18.335 -7.310 -3.168 303 HZ3 LYS 32 2HZ LYS 32 -17.781 -6.906 -1.621 304 H LYS 33 H LYS 33 -18.281 0.025 1.059 305 HA LYS 33 HA LYS 33 -20.517 -0.313 2.826 306 HB2 LYS 33 1HB LYS 33 -18.039 1.371 3.224 307 HB3 LYS 33 2HB LYS 33 -19.146 0.821 4.474 308 HG2 LYS 33 1HG LYS 33 -17.388 -0.937 2.776 309 HG3 LYS 33 2HG LYS 33 -17.105 -0.496 4.462 310 HD2 LYS 33 1HD LYS 33 -19.614 -1.485 4.627 311 HD3 LYS 33 2HD LYS 33 -18.975 -2.457 3.299 312 HE2 LYS 33 1HE LYS 33 -18.381 -3.735 5.115 313 HE3 LYS 33 2HE LYS 33 -16.929 -2.760 4.896 314 HZ1 LYS 33 3HZ LYS 33 -18.716 -1.380 6.568 315 HZ2 LYS 33 1HZ LYS 33 -17.175 -1.973 6.935 316 HZ3 LYS 33 2HZ LYS 33 -18.534 -2.952 7.164 317 H LYS 34 H LYS 34 -19.231 2.262 0.839 318 HA LYS 34 HA LYS 34 -20.613 4.426 1.976 319 HB2 LYS 34 1HB LYS 34 -18.819 4.102 -0.084 320 HB3 LYS 34 2HB LYS 34 -20.291 4.552 -0.936 321 HG2 LYS 34 1HG LYS 34 -20.408 6.457 0.833 322 HG3 LYS 34 2HG LYS 34 -18.687 6.119 1.029 323 HD2 LYS 34 1HD LYS 34 -18.526 7.656 -0.634 324 HD3 LYS 34 2HD LYS 34 -18.791 6.229 -1.639 325 HE2 LYS 34 1HE LYS 34 -20.242 7.994 -2.390 326 HE3 LYS 34 2HE LYS 34 -21.218 6.736 -1.632 327 HZ1 LYS 34 3HZ LYS 34 -21.568 9.255 -1.063 328 HZ2 LYS 34 1HZ LYS 34 -20.307 8.970 0.029 329 HZ3 LYS 34 2HZ LYS 34 -21.732 8.064 0.127 330 H LYS 35 H LYS 35 -21.541 2.088 -0.497 331 HA LYS 35 HA LYS 35 -23.948 3.322 -1.283 332 HB2 LYS 35 1HB LYS 35 -23.264 0.376 -1.300 333 HB3 LYS 35 2HB LYS 35 -24.544 1.148 -2.229 334 HG2 LYS 35 1HG LYS 35 -21.974 2.389 -2.707 335 HG3 LYS 35 2HG LYS 35 -21.953 0.659 -3.062 336 HD2 LYS 35 1HD LYS 35 -23.350 0.874 -4.823 337 HD3 LYS 35 2HD LYS 35 -24.312 2.129 -4.039 338 HE2 LYS 35 1HE LYS 35 -23.225 3.727 -5.138 339 HE3 LYS 35 2HE LYS 35 -21.666 3.103 -4.600 340 HZ1 LYS 35 3HZ LYS 35 -23.185 2.372 -7.031 341 HZ2 LYS 35 1HZ LYS 35 -21.928 1.408 -6.438 342 HZ3 LYS 35 2HZ LYS 35 -21.617 2.998 -6.922 343 H LYS 36 H LYS 36 -26.024 1.690 -1.013 344 HA LYS 36 HA LYS 36 -26.353 0.936 1.776 345 HB2 LYS 36 1HB LYS 36 -27.087 3.481 1.012 346 HB3 LYS 36 2HB LYS 36 -28.594 2.586 0.861 347 HG2 LYS 36 1HG LYS 36 -27.278 1.917 3.326 348 HG3 LYS 36 2HG LYS 36 -27.477 3.665 3.181 349 HD2 LYS 36 1HD LYS 36 -29.765 3.541 3.185 350 HD3 LYS 36 2HD LYS 36 -29.786 1.920 2.486 351 HE2 LYS 36 1HE LYS 36 -30.503 1.663 4.716 352 HE3 LYS 36 2HE LYS 36 -28.830 1.110 4.688 353 HZ1 LYS 36 3HZ LYS 36 -28.107 2.967 5.820 354 HZ2 LYS 36 1HZ LYS 36 -29.604 2.684 6.555 355 HZ3 LYS 36 2HZ LYS 36 -29.450 3.902 5.391 Start of MODEL 10 1 H1 LYS 1 H LYS 1 24.378 4.504 8.722 2 HA LYS 1 HA LYS 1 22.285 3.665 8.403 3 HB2 LYS 1 1HB LYS 1 20.648 4.134 10.248 4 HB3 LYS 1 2HB LYS 1 22.206 3.523 10.787 5 HG2 LYS 1 1HG LYS 1 22.514 5.295 12.074 6 HG3 LYS 1 2HG LYS 1 22.260 6.387 10.711 7 HD2 LYS 1 1HD LYS 1 20.575 7.004 12.184 8 HD3 LYS 1 2HD LYS 1 19.748 5.893 11.089 9 HE2 LYS 1 1HE LYS 1 20.707 4.200 13.009 10 HE3 LYS 1 2HE LYS 1 20.333 5.643 13.949 11 HZ1 LYS 1 3HZ LYS 1 18.480 3.999 13.708 12 HZ2 LYS 1 1HZ LYS 1 18.408 4.404 12.066 13 HZ3 LYS 1 2HZ LYS 1 18.096 5.580 13.242 14 H LYS 2 H LYS 2 22.933 6.069 6.985 15 HA LYS 2 HA LYS 2 20.241 6.893 6.297 16 HB2 LYS 2 1HB LYS 2 20.711 8.550 7.961 17 HB3 LYS 2 2HB LYS 2 22.317 8.839 7.304 18 HG2 LYS 2 1HG LYS 2 20.859 10.653 6.704 19 HG3 LYS 2 2HG LYS 2 21.287 9.740 5.255 20 HD2 LYS 2 1HD LYS 2 19.140 9.365 4.820 21 HD3 LYS 2 2HD LYS 2 18.921 8.622 6.406 22 HE2 LYS 2 1HE LYS 2 18.702 10.955 7.337 23 HE3 LYS 2 2HE LYS 2 18.643 11.530 5.671 24 HZ1 LYS 2 3HZ LYS 2 16.467 10.970 6.984 25 HZ2 LYS 2 1HZ LYS 2 16.803 9.394 6.469 26 HZ3 LYS 2 2HZ LYS 2 16.594 10.629 5.332 27 H LYS 3 H LYS 3 23.583 8.010 5.727 28 HA LYS 3 HA LYS 3 23.062 7.820 2.839 29 HB2 LYS 3 1HB LYS 3 24.663 9.643 4.526 30 HB3 LYS 3 2HB LYS 3 25.409 9.172 3.005 31 HG2 LYS 3 1HG LYS 3 22.609 9.977 2.760 32 HG3 LYS 3 2HG LYS 3 23.688 11.252 3.332 33 HD2 LYS 3 1HD LYS 3 24.930 9.832 1.174 34 HD3 LYS 3 2HD LYS 3 23.315 10.355 0.688 35 HE2 LYS 3 1HE LYS 3 24.586 12.193 0.127 36 HE3 LYS 3 2HE LYS 3 24.036 12.624 1.745 37 HZ1 LYS 3 3HZ LYS 3 26.546 11.162 1.577 38 HZ2 LYS 3 1HZ LYS 3 26.100 12.434 2.598 39 HZ3 LYS 3 2HZ LYS 3 26.570 12.753 1.005 40 H LYS 4 H LYS 4 25.366 6.948 5.368 41 HA LYS 4 HA LYS 4 27.352 5.776 3.827 42 HB2 LYS 4 1HB LYS 4 26.648 5.883 6.579 43 HB3 LYS 4 2HB LYS 4 26.968 4.200 6.181 44 HG2 LYS 4 1HG LYS 4 29.109 5.160 5.052 45 HG3 LYS 4 2HG LYS 4 28.805 6.546 6.101 46 HD2 LYS 4 1HD LYS 4 28.922 5.171 8.060 47 HD3 LYS 4 2HD LYS 4 28.984 3.701 7.085 48 HE2 LYS 4 1HE LYS 4 31.189 3.897 6.739 49 HE3 LYS 4 2HE LYS 4 31.074 5.627 6.420 50 HZ1 LYS 4 3HZ LYS 4 31.349 6.144 8.627 51 HZ2 LYS 4 1HZ LYS 4 32.346 4.784 8.492 52 HZ3 LYS 4 2HZ LYS 4 30.806 4.640 9.177 53 H ASP 5 H ASP 5 24.226 4.525 4.794 54 HA ASP 5 HA ASP 5 24.766 2.104 3.203 55 HB2 ASP 5 1HB ASP 5 23.374 2.462 5.818 56 HB3 ASP 5 2HB ASP 5 22.778 1.219 4.723 57 H LYS 6 H LYS 6 23.928 2.779 1.274 58 HA LYS 6 HA LYS 6 21.492 4.214 1.012 59 HB2 LYS 6 1HB LYS 6 23.383 2.850 -0.838 60 HB3 LYS 6 2HB LYS 6 21.761 3.178 -1.432 61 HG2 LYS 6 1HG LYS 6 23.492 5.301 -0.205 62 HG3 LYS 6 2HG LYS 6 23.520 4.919 -1.928 63 HD2 LYS 6 1HD LYS 6 20.925 5.502 -0.557 64 HD3 LYS 6 2HD LYS 6 21.979 6.825 -1.057 65 HE2 LYS 6 1HE LYS 6 21.766 6.308 -3.312 66 HE3 LYS 6 2HE LYS 6 21.255 4.653 -2.985 67 HZ1 LYS 6 3HZ LYS 6 19.682 7.065 -3.153 68 HZ2 LYS 6 1HZ LYS 6 19.307 6.095 -1.818 69 HZ3 LYS 6 2HZ LYS 6 19.222 5.453 -3.380 70 H TRP 7 H TRP 7 22.298 0.834 1.193 71 HA TRP 7 HA TRP 7 20.081 -0.347 0.031 72 HB2 TRP 7 2HB TRP 7 21.494 -1.293 2.533 73 HB3 TRP 7 3HB TRP 7 20.536 -2.282 1.435 74 HD1 TRP 7 1HD TRP 7 21.628 -2.823 -0.988 75 HE1 TRP 7 1HE TRP 7 24.088 -2.913 -1.741 76 HE3 TRP 7 3HE TRP 7 23.758 -0.256 2.887 77 HZ2 TRP 7 2HZ TRP 7 26.598 -2.015 -0.815 78 HZ3 TRP 7 3HZ TRP 7 26.194 0.084 2.878 79 HH2 TRP 7 2HH TRP 7 27.584 -0.778 1.065 80 H ALA 8 H ALA 8 20.407 1.184 3.168 81 HA ALA 8 HA ALA 8 18.119 0.264 4.439 82 HB1 ALA 8 3HB ALA 8 18.880 1.620 6.019 83 HB2 ALA 8 1HB ALA 8 20.042 2.287 4.873 84 HB3 ALA 8 2HB ALA 8 18.450 3.028 5.049 85 H SER 9 H SER 9 18.489 2.773 2.002 86 HA SER 9 HA SER 9 15.878 3.846 2.213 87 HB2 SER 9 1HB SER 9 17.731 5.044 1.109 88 HB3 SER 9 2HB SER 9 17.745 3.833 -0.173 89 HG SER 9 HG SER 9 16.280 6.013 -0.043 90 H LEU 10 H LEU 10 17.280 1.294 0.210 91 HA LEU 10 HA LEU 10 14.913 0.830 -1.308 92 HB2 LEU 10 1HB LEU 10 17.488 0.136 -1.625 93 HB3 LEU 10 2HB LEU 10 16.859 -1.365 -0.950 94 HG LEU 10 HG LEU 10 15.314 -0.237 -3.193 95 HD11 LEU 10 1HD1 LEU 10 16.824 -0.746 -4.900 96 HD12 LEU 10 2HD1 LEU 10 17.914 -1.599 -3.807 97 HD13 LEU 10 3HD1 LEU 10 17.784 0.158 -3.728 98 HD21 LEU 10 3HD2 LEU 10 16.399 -3.006 -3.019 99 HD22 LEU 10 1HD2 LEU 10 14.847 -2.438 -3.634 100 HD23 LEU 10 2HD2 LEU 10 15.134 -2.509 -1.895 101 H TRP 11 H TRP 11 16.271 -0.523 1.640 102 HA TRP 11 HA TRP 11 14.556 -2.738 1.885 103 HB2 TRP 11 2HB TRP 11 16.563 -2.575 3.229 104 HB3 TRP 11 3HB TRP 11 15.972 -1.107 4.003 105 HD1 TRP 11 1HD TRP 11 14.152 -1.377 5.929 106 HE1 TRP 11 1HE TRP 11 13.396 -3.405 7.323 107 HE3 TRP 11 3HE TRP 11 16.175 -5.117 3.089 108 HZ2 TRP 11 2HZ TRP 11 13.627 -6.217 7.231 109 HZ3 TRP 11 3HZ TRP 11 15.862 -7.447 3.812 110 HH2 TRP 11 2HH TRP 11 14.615 -7.985 5.841 111 H ASN 12 H ASN 12 14.171 0.642 2.729 112 HA ASN 12 HA ASN 12 11.857 0.334 4.341 113 HB2 ASN 12 1HB ASN 12 13.420 2.532 3.230 114 HB3 ASN 12 2HB ASN 12 11.694 2.877 3.241 115 HD21 ASN 12 2HD2 ASN 12 10.574 2.838 5.234 116 HD22 ASN 12 1HD2 ASN 12 11.415 3.074 6.725 117 H TRP 13 H TRP 13 12.391 0.625 0.902 118 HA TRP 13 HA TRP 13 9.822 1.334 0.067 119 HB2 TRP 13 2HB TRP 13 11.908 1.213 -1.355 120 HB3 TRP 13 3HB TRP 13 11.679 -0.532 -1.414 121 HD1 TRP 13 1HD TRP 13 10.035 2.732 -2.616 122 HE1 TRP 13 1HE TRP 13 8.497 2.179 -4.604 123 HE3 TRP 13 3HE TRP 13 10.372 -2.369 -2.510 124 HZ2 TRP 13 2HZ TRP 13 7.550 -0.115 -5.948 125 HZ3 TRP 13 3HZ TRP 13 9.119 -3.668 -4.182 126 HH2 TRP 13 2HH TRP 13 7.737 -2.563 -5.864 127 H PHE 14 H PHE 14 11.012 -1.613 1.380 128 HA PHE 14 HA PHE 14 9.353 -3.531 0.297 129 HB2 PHE 14 2HB PHE 14 11.110 -4.141 1.835 130 HB3 PHE 14 3HB PHE 14 10.339 -3.248 3.141 131 HD1 PHE 14 1HD PHE 14 9.174 -5.790 0.667 132 HD2 PHE 14 2HD PHE 14 9.509 -4.644 4.752 133 HE1 PHE 14 1HE PHE 14 7.961 -7.824 1.333 134 HE2 PHE 14 2HE PHE 14 8.298 -6.677 5.426 135 HZ PHE 14 HZ PHE 14 7.523 -8.271 3.716 136 H ASP 15 H ASP 15 8.708 -1.666 3.270 137 HA ASP 15 HA ASP 15 6.108 -2.569 3.690 138 HB2 ASP 15 1HB ASP 15 7.459 -1.276 5.334 139 HB3 ASP 15 2HB ASP 15 7.198 0.171 4.366 140 H ILE 16 H ILE 16 7.308 0.074 1.692 141 HA ILE 16 HA ILE 16 4.771 1.174 1.062 142 HB ILE 16 HB ILE 16 7.442 1.365 -0.319 143 HG12 ILE 16 1HG1 ILE 16 7.073 3.807 0.482 144 HG13 ILE 16 2HG1 ILE 16 5.851 3.110 1.540 145 HG21 ILE 16 1HG2 ILE 16 4.773 2.273 -1.199 146 HG22 ILE 16 2HG2 ILE 16 6.096 3.426 -1.366 147 HG23 ILE 16 3HG2 ILE 16 6.198 1.849 -2.147 148 HD11 ILE 16 3HD1 ILE 16 8.695 2.153 1.486 149 HD12 ILE 16 1HD1 ILE 16 8.131 3.447 2.543 150 HD13 ILE 16 2HD1 ILE 16 7.455 1.825 2.695 151 H THR 17 H THR 17 6.633 -1.470 -0.223 152 HA THR 17 HA THR 17 5.552 -1.761 -2.756 153 HB THR 17 HB THR 17 6.000 -4.207 -1.094 154 HG1 THR 17 1HG THR 17 8.313 -3.827 -1.537 155 HG21 THR 17 3HG2 THR 17 6.451 -3.350 -3.929 156 HG22 THR 17 1HG2 THR 17 5.581 -4.755 -3.313 157 HG23 THR 17 2HG2 THR 17 7.344 -4.715 -3.259 158 H ASN 18 H ASN 18 4.314 -2.996 0.336 159 HA ASN 18 HA ASN 18 1.954 -4.089 -0.935 160 HB2 ASN 18 1HB ASN 18 3.345 -4.635 1.422 161 HB3 ASN 18 2HB ASN 18 1.826 -3.922 1.962 162 HD21 ASN 18 2HD2 ASN 18 3.319 -6.737 1.180 163 HD22 ASN 18 1HD2 ASN 18 1.935 -7.708 0.820 164 H TRP 19 H TRP 19 2.889 -1.216 0.781 165 HA TRP 19 HA TRP 19 0.461 -0.255 1.686 166 HB2 TRP 19 2HB TRP 19 2.548 0.869 2.205 167 HB3 TRP 19 3HB TRP 19 2.786 1.281 0.508 168 HD1 TRP 19 1HD TRP 19 -0.020 1.934 3.130 169 HE1 TRP 19 1HE TRP 19 -0.787 4.376 2.862 170 HE3 TRP 19 3HE TRP 19 3.022 3.319 -0.738 171 HZ2 TRP 19 2HZ TRP 19 -0.182 6.596 1.226 172 HZ3 TRP 19 3HZ TRP 19 2.865 5.619 -1.596 173 HH2 TRP 19 2HH TRP 19 1.295 7.223 -0.633 174 H LEU 20 H LEU 20 1.975 0.471 -1.465 175 HA LEU 20 HA LEU 20 -0.165 1.895 -2.547 176 HB2 LEU 20 1HB LEU 20 2.258 0.595 -3.545 177 HB3 LEU 20 2HB LEU 20 0.955 0.675 -4.729 178 HG LEU 20 HG LEU 20 1.394 3.219 -3.388 179 HD11 LEU 20 1HD1 LEU 20 3.527 3.600 -4.772 180 HD12 LEU 20 2HD1 LEU 20 3.689 1.845 -4.734 181 HD13 LEU 20 3HD1 LEU 20 3.667 2.761 -3.227 182 HD21 LEU 20 3HD2 LEU 20 1.632 2.514 -6.303 183 HD22 LEU 20 1HD2 LEU 20 1.211 4.069 -5.586 184 HD23 LEU 20 2HD2 LEU 20 0.081 2.719 -5.490 185 H TRP 21 H TRP 21 0.301 -1.513 -2.137 186 HA TRP 21 HA TRP 21 -1.755 -2.275 -4.010 187 HB2 TRP 21 2HB TRP 21 0.362 -3.589 -2.739 188 HB3 TRP 21 3HB TRP 21 -1.092 -4.315 -2.059 189 HD1 TRP 21 1HD TRP 21 0.738 -3.867 -5.406 190 HE1 TRP 21 1HE TRP 21 -0.142 -5.633 -7.058 191 HE3 TRP 21 3HE TRP 21 -3.065 -5.792 -2.584 192 HZ2 TRP 21 2HZ TRP 21 -2.180 -7.585 -7.152 193 HZ3 TRP 21 3HZ TRP 21 -4.433 -7.606 -3.528 194 HH2 TRP 21 2HH TRP 21 -3.998 -8.482 -5.766 195 H TYR 22 H TYR 22 -1.537 -1.496 -0.640 196 HA TYR 22 HA TYR 22 -4.061 -2.694 0.065 197 HB2 TYR 22 2HB TYR 22 -2.146 -2.397 1.669 198 HB3 TYR 22 3HB TYR 22 -2.462 -0.665 1.637 199 HD1 TYR 22 1HD TYR 22 -4.686 0.178 2.468 200 HD2 TYR 22 2HD TYR 22 -3.411 -3.840 3.044 201 HE1 TYR 22 1HE TYR 22 -6.355 -0.088 4.256 202 HE2 TYR 22 2HE TYR 22 -5.077 -4.118 4.833 203 HH TYR 22 HH TYR 22 -6.977 -3.200 5.738 204 H ILE 23 H ILE 23 -2.853 0.557 -0.621 205 HA ILE 23 HA ILE 23 -5.175 1.987 0.019 206 HB ILE 23 HB ILE 23 -4.307 3.763 -1.435 207 HG12 ILE 23 1HG1 ILE 23 -2.132 1.796 -2.177 208 HG13 ILE 23 2HG1 ILE 23 -3.474 2.232 -3.229 209 HG21 ILE 23 1HG2 ILE 23 -3.140 2.732 0.852 210 HG22 ILE 23 2HG2 ILE 23 -1.781 2.995 -0.239 211 HG23 ILE 23 3HG2 ILE 23 -2.860 4.330 0.163 212 HD11 ILE 23 3HD1 ILE 23 -2.684 4.402 -3.528 213 HD12 ILE 23 1HD1 ILE 23 -1.621 4.307 -2.124 214 HD13 ILE 23 2HD1 ILE 23 -1.236 3.399 -3.587 215 H LYS 24 H LYS 24 -4.377 0.025 -2.720 216 HA LYS 24 HA LYS 24 -6.360 1.099 -4.483 217 HB2 LYS 24 1HB LYS 24 -4.667 -1.389 -4.502 218 HB3 LYS 24 2HB LYS 24 -5.921 -1.129 -5.709 219 HG2 LYS 24 1HG LYS 24 -4.834 0.888 -6.464 220 HG3 LYS 24 2HG LYS 24 -3.624 0.747 -5.186 221 HD2 LYS 24 1HD LYS 24 -3.143 -1.573 -6.233 222 HD3 LYS 24 2HD LYS 24 -3.985 -0.928 -7.644 223 HE2 LYS 24 1HE LYS 24 -2.002 0.907 -6.551 224 HE3 LYS 24 2HE LYS 24 -1.308 -0.626 -7.075 225 HZ1 LYS 24 3HZ LYS 24 -2.956 -0.018 -9.112 226 HZ2 LYS 24 1HZ LYS 24 -1.301 0.334 -9.078 227 HZ3 LYS 24 2HZ LYS 24 -2.428 1.519 -8.644 228 H LEU 25 H LEU 25 -6.128 -2.034 -2.785 229 HA LEU 25 HA LEU 25 -8.774 -2.822 -3.327 230 HB2 LEU 25 1HB LEU 25 -8.419 -4.421 -1.431 231 HB3 LEU 25 2HB LEU 25 -7.214 -4.488 -2.716 232 HG LEU 25 HG LEU 25 -6.006 -2.792 -0.984 233 HD11 LEU 25 1HD1 LEU 25 -7.973 -3.242 0.589 234 HD12 LEU 25 2HD1 LEU 25 -6.344 -3.396 1.246 235 HD13 LEU 25 3HD1 LEU 25 -7.259 -4.839 0.814 236 HD21 LEU 25 3HD2 LEU 25 -5.146 -4.875 -2.094 237 HD22 LEU 25 1HD2 LEU 25 -5.836 -5.789 -0.752 238 HD23 LEU 25 2HD2 LEU 25 -4.565 -4.604 -0.451 239 H PHE 26 H PHE 26 -7.342 -1.020 -0.664 240 HA PHE 26 HA PHE 26 -9.405 -1.050 1.168 241 HB2 PHE 26 2HB PHE 26 -7.303 -0.034 1.737 242 HB3 PHE 26 3HB PHE 26 -7.482 1.172 0.467 243 HD1 PHE 26 2HD PHE 26 -9.072 -0.023 3.609 244 HD2 PHE 26 1HD PHE 26 -8.404 3.238 0.955 245 HE1 PHE 26 2HE PHE 26 -10.146 1.501 5.215 246 HE2 PHE 26 1HE PHE 26 -9.475 4.767 2.558 247 HZ PHE 26 HZ PHE 26 -10.350 3.898 4.690 248 H ILE 27 H ILE 27 -8.854 1.540 -1.226 249 HA ILE 27 HA ILE 27 -11.282 2.854 -0.843 250 HB ILE 27 HB ILE 27 -9.665 2.698 -3.390 251 HG12 ILE 27 1HG1 ILE 27 -8.368 3.477 -1.436 252 HG13 ILE 27 2HG1 ILE 27 -8.604 4.755 -2.624 253 HG21 ILE 27 1HG2 ILE 27 -10.733 4.852 -3.925 254 HG22 ILE 27 2HG2 ILE 27 -11.897 3.533 -3.810 255 HG23 ILE 27 3HG2 ILE 27 -11.742 4.688 -2.488 256 HD11 ILE 27 3HD1 ILE 27 -10.460 5.627 -1.243 257 HD12 ILE 27 1HD1 ILE 27 -10.081 4.406 -0.029 258 HD13 ILE 27 2HD1 ILE 27 -8.897 5.653 -0.425 259 H MET 28 H MET 28 -10.532 -0.024 -2.635 260 HA MET 28 HA MET 28 -12.873 -0.034 -4.264 261 HB2 MET 28 1HB MET 28 -10.736 -1.308 -4.717 262 HB3 MET 28 2HB MET 28 -11.222 -2.426 -3.449 263 HG2 MET 28 1HG MET 28 -13.451 -2.412 -4.967 264 HG3 MET 28 2HG MET 28 -12.221 -2.123 -6.195 265 HE1 MET 28 3HE MET 28 -12.572 -4.832 -2.971 266 HE2 MET 28 1HE MET 28 -13.974 -4.272 -3.883 267 HE3 MET 28 2HE MET 28 -13.359 -5.907 -4.128 268 H ILE 29 H ILE 29 -12.036 -1.361 -1.113 269 HA ILE 29 HA ILE 29 -14.506 -2.814 -0.845 270 HB ILE 29 HB ILE 29 -12.437 -2.121 1.244 271 HG12 ILE 29 1HG1 ILE 29 -12.666 -4.900 0.358 272 HG13 ILE 29 2HG1 ILE 29 -12.176 -3.805 -0.930 273 HG21 ILE 29 1HG2 ILE 29 -13.957 -2.837 2.703 274 HG22 ILE 29 2HG2 ILE 29 -15.044 -3.359 1.417 275 HG23 ILE 29 3HG2 ILE 29 -13.771 -4.438 1.988 276 HD11 ILE 29 3HD1 ILE 29 -10.560 -3.001 1.093 277 HD12 ILE 29 1HD1 ILE 29 -10.707 -4.727 1.423 278 HD13 ILE 29 2HD1 ILE 29 -10.120 -4.178 -0.146 279 H VAL 30 H VAL 30 -13.242 0.299 0.171 280 HA VAL 30 HA VAL 30 -15.190 0.987 2.059 281 HB VAL 30 HB VAL 30 -13.712 2.834 0.178 282 HG11 VAL 30 1HG1 VAL 30 -15.460 3.287 2.545 283 HG12 VAL 30 2HG1 VAL 30 -14.079 4.356 2.291 284 HG13 VAL 30 3HG1 VAL 30 -15.324 4.210 1.049 285 HG21 VAL 30 3HG2 VAL 30 -12.697 1.163 2.169 286 HG22 VAL 30 1HG2 VAL 30 -11.875 2.515 1.389 287 HG23 VAL 30 2HG2 VAL 30 -12.755 2.768 2.896 288 H GLY 31 H GLY 31 -15.112 1.475 -1.457 289 HA2 GLY 31 1HA GLY 31 -17.383 3.017 -1.783 290 HA3 GLY 31 2HA GLY 31 -16.811 1.841 -2.958 291 H LYS 32 H LYS 32 -17.148 -0.407 -1.099 292 HA LYS 32 HA LYS 32 -19.740 -1.187 -1.812 293 HB2 LYS 32 1HB LYS 32 -17.958 -2.257 0.384 294 HB3 LYS 32 2HB LYS 32 -19.399 -3.062 -0.225 295 HG2 LYS 32 1HG LYS 32 -17.075 -2.355 -1.992 296 HG3 LYS 32 2HG LYS 32 -17.178 -3.881 -1.111 297 HD2 LYS 32 1HD LYS 32 -19.654 -3.411 -2.458 298 HD3 LYS 32 2HD LYS 32 -18.328 -3.222 -3.608 299 HE2 LYS 32 1HE LYS 32 -17.458 -5.436 -2.556 300 HE3 LYS 32 2HE LYS 32 -19.122 -5.618 -2.001 301 HZ1 LYS 32 3HZ LYS 32 -18.954 -6.721 -4.066 302 HZ2 LYS 32 1HZ LYS 32 -18.160 -5.419 -4.797 303 HZ3 LYS 32 2HZ LYS 32 -19.791 -5.284 -4.376 304 H LYS 33 H LYS 33 -18.478 0.230 1.162 305 HA LYS 33 HA LYS 33 -21.060 0.086 2.471 306 HB2 LYS 33 1HB LYS 33 -18.539 1.479 3.387 307 HB3 LYS 33 2HB LYS 33 -19.945 1.101 4.372 308 HG2 LYS 33 1HG LYS 33 -18.673 -0.651 4.986 309 HG3 LYS 33 2HG LYS 33 -19.340 -1.362 3.515 310 HD2 LYS 33 1HD LYS 33 -17.307 -1.521 2.631 311 HD3 LYS 33 2HD LYS 33 -17.043 0.210 2.850 312 HE2 LYS 33 1HE LYS 33 -16.752 -1.676 5.157 313 HE3 LYS 33 2HE LYS 33 -15.442 -1.484 3.993 314 HZ1 LYS 33 3HZ LYS 33 -15.941 1.049 4.500 315 HZ2 LYS 33 1HZ LYS 33 -14.873 0.137 5.444 316 HZ3 LYS 33 2HZ LYS 33 -16.458 0.400 5.974 317 H LYS 34 H LYS 34 -18.968 2.534 1.024 318 HA LYS 34 HA LYS 34 -20.349 4.828 1.765 319 HB2 LYS 34 1HB LYS 34 -18.349 4.102 -0.197 320 HB3 LYS 34 2HB LYS 34 -19.470 5.285 -0.857 321 HG2 LYS 34 1HG LYS 34 -18.958 6.355 1.582 322 HG3 LYS 34 2HG LYS 34 -17.417 5.580 1.211 323 HD2 LYS 34 1HD LYS 34 -17.137 7.672 0.271 324 HD3 LYS 34 2HD LYS 34 -17.705 6.729 -1.109 325 HE2 LYS 34 1HE LYS 34 -19.948 7.568 -0.811 326 HE3 LYS 34 2HE LYS 34 -19.475 8.409 0.664 327 HZ1 LYS 34 3HZ LYS 34 -18.456 8.995 -2.064 328 HZ2 LYS 34 1HZ LYS 34 -17.994 9.798 -0.649 329 HZ3 LYS 34 2HZ LYS 34 -19.585 9.921 -1.210 330 H LYS 35 H LYS 35 -21.037 2.489 -0.751 331 HA LYS 35 HA LYS 35 -23.411 4.049 -1.524 332 HB2 LYS 35 1HB LYS 35 -21.859 1.936 -3.021 333 HB3 LYS 35 2HB LYS 35 -23.407 2.567 -3.566 334 HG2 LYS 35 1HG LYS 35 -22.526 4.537 -4.239 335 HG3 LYS 35 2HG LYS 35 -21.312 4.559 -2.958 336 HD2 LYS 35 1HD LYS 35 -20.702 2.365 -4.621 337 HD3 LYS 35 2HD LYS 35 -21.046 3.730 -5.686 338 HE2 LYS 35 1HE LYS 35 -19.481 5.081 -4.216 339 HE3 LYS 35 2HE LYS 35 -18.994 3.548 -3.493 340 HZ1 LYS 35 3HZ LYS 35 -17.454 3.979 -5.189 341 HZ2 LYS 35 1HZ LYS 35 -18.649 4.432 -6.297 342 HZ3 LYS 35 2HZ LYS 35 -18.492 2.812 -5.839 343 H LYS 36 H LYS 36 -25.384 3.266 -1.115 344 HA LYS 36 HA LYS 36 -25.582 0.670 0.205 345 HB2 LYS 36 1HB LYS 36 -26.600 2.702 1.236 346 HB3 LYS 36 2HB LYS 36 -27.699 2.800 -0.133 347 HG2 LYS 36 1HG LYS 36 -28.811 1.771 1.738 348 HG3 LYS 36 2HG LYS 36 -28.591 0.582 0.452 349 HD2 LYS 36 1HD LYS 36 -26.298 0.461 2.098 350 HD3 LYS 36 2HD LYS 36 -27.704 0.481 3.167 351 HE2 LYS 36 1HE LYS 36 -27.829 -1.290 0.794 352 HE3 LYS 36 2HE LYS 36 -26.731 -1.762 2.088 353 HZ1 LYS 36 3HZ LYS 36 -29.319 -2.391 2.038 354 HZ2 LYS 36 1HZ LYS 36 -29.385 -0.958 2.935 355 HZ3 LYS 36 2HZ LYS 36 -28.422 -2.244 3.464 Start of MODEL 11 1 H1 LYS 1 H LYS 1 27.594 14.509 -0.034 2 HA LYS 1 HA LYS 1 26.170 11.973 -0.305 3 HB2 LYS 1 1HB LYS 1 29.126 12.571 -0.079 4 HB3 LYS 1 2HB LYS 1 28.437 10.970 -0.311 5 HG2 LYS 1 1HG LYS 1 28.157 11.283 -2.502 6 HG3 LYS 1 2HG LYS 1 27.533 12.920 -2.283 7 HD2 LYS 1 1HD LYS 1 29.537 13.857 -2.667 8 HD3 LYS 1 2HD LYS 1 30.390 12.648 -1.703 9 HE2 LYS 1 1HE LYS 1 29.830 11.087 -3.732 10 HE3 LYS 1 2HE LYS 1 29.670 12.613 -4.601 11 HZ1 LYS 1 3HZ LYS 1 32.052 12.376 -2.975 12 HZ2 LYS 1 1HZ LYS 1 31.869 12.966 -4.550 13 HZ3 LYS 1 2HZ LYS 1 31.977 11.300 -4.278 14 H LYS 2 H LYS 2 25.031 12.144 1.709 15 HA LYS 2 HA LYS 2 26.702 11.349 3.993 16 HB2 LYS 2 1HB LYS 2 26.143 13.641 4.424 17 HB3 LYS 2 2HB LYS 2 24.460 13.371 3.995 18 HG2 LYS 2 1HG LYS 2 24.721 13.553 6.397 19 HG3 LYS 2 2HG LYS 2 24.189 11.930 5.950 20 HD2 LYS 2 1HD LYS 2 25.949 11.053 6.986 21 HD3 LYS 2 2HD LYS 2 27.037 11.983 5.952 22 HE2 LYS 2 1HE LYS 2 27.402 13.558 7.533 23 HE3 LYS 2 2HE LYS 2 25.751 13.479 8.144 24 HZ1 LYS 2 3HZ LYS 2 26.615 11.128 8.944 25 HZ2 LYS 2 1HZ LYS 2 26.822 12.526 9.875 26 HZ3 LYS 2 2HZ LYS 2 28.099 11.940 8.933 27 H LYS 3 H LYS 3 26.179 9.211 3.942 28 HA LYS 3 HA LYS 3 23.630 8.454 4.984 29 HB2 LYS 3 1HB LYS 3 23.768 8.622 2.201 30 HB3 LYS 3 2HB LYS 3 23.964 6.909 2.548 31 HG2 LYS 3 1HG LYS 3 21.793 6.699 2.902 32 HG3 LYS 3 2HG LYS 3 21.844 7.943 4.153 33 HD2 LYS 3 1HD LYS 3 20.293 8.706 2.542 34 HD3 LYS 3 2HD LYS 3 21.767 9.641 2.273 35 HE2 LYS 3 1HE LYS 3 21.288 9.047 0.122 36 HE3 LYS 3 2HE LYS 3 22.287 7.674 0.592 37 HZ1 LYS 3 3HZ LYS 3 20.042 6.642 1.274 38 HZ2 LYS 3 1HZ LYS 3 20.462 6.676 -0.365 39 HZ3 LYS 3 2HZ LYS 3 19.366 7.807 0.251 40 H LYS 4 H LYS 4 24.229 7.019 6.457 41 HA LYS 4 HA LYS 4 26.660 5.636 6.485 42 HB2 LYS 4 1HB LYS 4 24.199 5.665 8.075 43 HB3 LYS 4 2HB LYS 4 25.006 4.103 8.066 44 HG2 LYS 4 1HG LYS 4 27.025 5.071 8.917 45 HG3 LYS 4 2HG LYS 4 26.361 6.698 8.760 46 HD2 LYS 4 1HD LYS 4 25.060 6.494 10.617 47 HD3 LYS 4 2HD LYS 4 24.822 4.758 10.391 48 HE2 LYS 4 1HE LYS 4 26.622 4.228 11.634 49 HE3 LYS 4 2HE LYS 4 27.587 5.549 10.978 50 HZ1 LYS 4 3HZ LYS 4 25.400 6.129 12.861 51 HZ2 LYS 4 1HZ LYS 4 26.805 7.018 12.548 52 HZ3 LYS 4 2HZ LYS 4 26.891 5.589 13.449 53 H ASP 5 H ASP 5 23.392 4.426 5.739 54 HA ASP 5 HA ASP 5 24.652 2.280 4.167 55 HB2 ASP 5 1HB ASP 5 23.269 1.866 6.514 56 HB3 ASP 5 2HB ASP 5 22.033 1.601 5.288 57 H LYS 6 H LYS 6 23.952 2.108 2.134 58 HA LYS 6 HA LYS 6 21.907 3.926 1.199 59 HB2 LYS 6 1HB LYS 6 24.091 2.377 0.022 60 HB3 LYS 6 2HB LYS 6 22.632 2.363 -0.961 61 HG2 LYS 6 1HG LYS 6 23.779 4.921 0.099 62 HG3 LYS 6 2HG LYS 6 24.361 4.192 -1.399 63 HD2 LYS 6 1HD LYS 6 21.427 4.553 -1.039 64 HD3 LYS 6 2HD LYS 6 22.413 5.971 -1.403 65 HE2 LYS 6 1HE LYS 6 22.616 5.374 -3.539 66 HE3 LYS 6 2HE LYS 6 23.116 3.741 -3.099 67 HZ1 LYS 6 3HZ LYS 6 20.589 4.659 -4.038 68 HZ2 LYS 6 1HZ LYS 6 20.428 3.820 -2.578 69 HZ3 LYS 6 2HZ LYS 6 21.173 3.077 -3.902 70 H TRP 7 H TRP 7 22.359 0.438 1.510 71 HA TRP 7 HA TRP 7 20.043 -0.378 0.153 72 HB2 TRP 7 2HB TRP 7 21.940 -1.595 2.065 73 HB3 TRP 7 3HB TRP 7 20.341 -2.334 2.010 74 HD1 TRP 7 1HD TRP 7 23.411 -1.691 -0.208 75 HE1 TRP 7 1HE TRP 7 23.338 -3.330 -2.192 76 HE3 TRP 7 3HE TRP 7 18.803 -3.748 0.609 77 HZ2 TRP 7 2HZ TRP 7 21.561 -5.242 -3.268 78 HZ3 TRP 7 3HZ TRP 7 17.990 -5.475 -0.944 79 HH2 TRP 7 2HH TRP 7 19.342 -6.205 -2.842 80 H ALA 8 H ALA 8 20.513 0.933 3.331 81 HA ALA 8 HA ALA 8 18.154 0.035 4.568 82 HB1 ALA 8 3HB ALA 8 19.911 0.988 5.889 83 HB2 ALA 8 1HB ALA 8 19.785 2.526 5.035 84 HB3 ALA 8 2HB ALA 8 18.470 1.987 6.081 85 H SER 9 H SER 9 18.827 2.861 2.556 86 HA SER 9 HA SER 9 16.366 4.168 2.901 87 HB2 SER 9 1HB SER 9 18.358 5.233 1.890 88 HB3 SER 9 2HB SER 9 18.171 4.206 0.469 89 HG SER 9 HG SER 9 16.580 6.344 1.347 90 H LEU 10 H LEU 10 17.410 1.712 0.585 91 HA LEU 10 HA LEU 10 14.944 1.723 -0.870 92 HB2 LEU 10 1HB LEU 10 17.365 0.929 -1.544 93 HB3 LEU 10 2HB LEU 10 16.793 -0.611 -0.907 94 HG LEU 10 HG LEU 10 15.069 0.748 -2.899 95 HD11 LEU 10 1HD1 LEU 10 17.682 -0.572 -3.608 96 HD12 LEU 10 2HD1 LEU 10 17.229 1.106 -3.903 97 HD13 LEU 10 3HD1 LEU 10 16.397 -0.196 -4.755 98 HD21 LEU 10 3HD2 LEU 10 15.237 -1.762 -1.671 99 HD22 LEU 10 1HD2 LEU 10 15.697 -2.018 -3.354 100 HD23 LEU 10 2HD2 LEU 10 14.147 -1.270 -2.968 101 H TRP 11 H TRP 11 16.241 -0.031 1.855 102 HA TRP 11 HA TRP 11 14.563 -2.241 1.920 103 HB2 TRP 11 2HB TRP 11 16.512 -1.849 3.431 104 HB3 TRP 11 3HB TRP 11 15.541 -0.678 4.319 105 HD1 TRP 11 1HD TRP 11 15.635 -4.460 3.541 106 HE1 TRP 11 1HE TRP 11 14.417 -5.699 5.441 107 HE3 TRP 11 3HE TRP 11 13.926 -0.427 6.176 108 HZ2 TRP 11 2HZ TRP 11 12.929 -5.051 7.750 109 HZ3 TRP 11 3HZ TRP 11 12.612 -0.822 8.219 110 HH2 TRP 11 2HH TRP 11 12.125 -3.088 8.987 111 H ASN 12 H ASN 12 13.957 1.078 2.882 112 HA ASN 12 HA ASN 12 11.564 0.650 4.303 113 HB2 ASN 12 1HB ASN 12 13.140 2.823 3.793 114 HB3 ASN 12 2HB ASN 12 11.739 3.168 2.784 115 HD21 ASN 12 2HD2 ASN 12 10.405 4.480 3.775 116 HD22 ASN 12 1HD2 ASN 12 9.984 4.438 5.451 117 H TRP 13 H TRP 13 12.278 0.808 0.907 118 HA TRP 13 HA TRP 13 9.751 1.402 -0.122 119 HB2 TRP 13 2HB TRP 13 11.924 1.254 -1.406 120 HB3 TRP 13 3HB TRP 13 11.739 -0.498 -1.375 121 HD1 TRP 13 1HD TRP 13 10.100 2.648 -2.867 122 HE1 TRP 13 1HE TRP 13 8.701 1.942 -4.908 123 HE3 TRP 13 3HE TRP 13 10.544 -2.427 -2.438 124 HZ2 TRP 13 2HZ TRP 13 7.892 -0.449 -6.170 125 HZ3 TRP 13 3HZ TRP 13 9.426 -3.853 -4.104 126 HH2 TRP 13 2HH TRP 13 8.127 -2.883 -5.930 127 H PHE 14 H PHE 14 10.921 -1.433 1.431 128 HA PHE 14 HA PHE 14 9.376 -3.452 0.365 129 HB2 PHE 14 2HB PHE 14 11.036 -3.953 2.031 130 HB3 PHE 14 3HB PHE 14 10.202 -2.971 3.231 131 HD1 PHE 14 2HD PHE 14 9.058 -5.635 0.884 132 HD2 PHE 14 1HD PHE 14 9.402 -4.308 4.913 133 HE1 PHE 14 2HE PHE 14 7.819 -7.621 1.640 134 HE2 PHE 14 1HE PHE 14 8.166 -6.292 5.676 135 HZ PHE 14 HZ PHE 14 7.371 -7.952 4.039 136 H ASP 15 H ASP 15 8.506 -1.436 3.177 137 HA ASP 15 HA ASP 15 5.905 -2.379 3.490 138 HB2 ASP 15 1HB ASP 15 7.164 -0.935 5.111 139 HB3 ASP 15 2HB ASP 15 6.839 0.440 4.058 140 H ILE 16 H ILE 16 7.169 0.174 1.418 141 HA ILE 16 HA ILE 16 4.654 1.170 0.569 142 HB ILE 16 HB ILE 16 7.401 1.349 -0.655 143 HG12 ILE 16 1HG1 ILE 16 6.930 3.823 -0.024 144 HG13 ILE 16 2HG1 ILE 16 5.659 3.158 0.997 145 HG21 ILE 16 1HG2 ILE 16 6.261 1.694 -2.581 146 HG22 ILE 16 2HG2 ILE 16 4.773 2.137 -1.748 147 HG23 ILE 16 3HG2 ILE 16 6.077 3.312 -1.904 148 HD11 ILE 16 3HD1 ILE 16 7.861 3.610 2.117 149 HD12 ILE 16 1HD1 ILE 16 7.215 1.983 2.323 150 HD13 ILE 16 2HD1 ILE 16 8.522 2.274 1.174 151 H THR 17 H THR 17 6.649 -1.495 -0.441 152 HA THR 17 HA THR 17 5.734 -1.958 -3.014 153 HB THR 17 HB THR 17 6.133 -4.292 -1.186 154 HG1 THR 17 1HG THR 17 8.433 -3.903 -1.416 155 HG21 THR 17 3HG2 THR 17 6.739 -3.590 -4.035 156 HG22 THR 17 1HG2 THR 17 5.864 -4.979 -3.391 157 HG23 THR 17 2HG2 THR 17 7.618 -4.891 -3.232 158 H ASN 18 H ASN 18 4.382 -3.190 0.042 159 HA ASN 18 HA ASN 18 2.103 -4.332 -1.316 160 HB2 ASN 18 1HB ASN 18 3.386 -4.775 1.136 161 HB3 ASN 18 2HB ASN 18 1.801 -4.132 1.556 162 HD21 ASN 18 2HD2 ASN 18 0.812 -5.922 2.270 163 HD22 ASN 18 1HD2 ASN 18 0.542 -7.340 1.320 164 H TRP 19 H TRP 19 2.901 -1.388 0.326 165 HA TRP 19 HA TRP 19 0.437 -0.454 1.148 166 HB2 TRP 19 2HB TRP 19 2.601 0.697 1.543 167 HB3 TRP 19 3HB TRP 19 2.623 1.189 -0.148 168 HD1 TRP 19 1HD TRP 19 -0.359 1.386 2.321 169 HE1 TRP 19 1HE TRP 19 -1.138 3.836 2.429 170 HE3 TRP 19 3HE TRP 19 3.202 3.501 -0.674 171 HZ2 TRP 19 2HZ TRP 19 -0.348 6.336 1.382 172 HZ3 TRP 19 3HZ TRP 19 3.119 5.928 -1.071 173 HH2 TRP 19 2HH TRP 19 1.381 7.314 -0.064 174 H LEU 20 H LEU 20 1.912 -0.184 -2.073 175 HA LEU 20 HA LEU 20 -0.138 1.293 -3.282 176 HB2 LEU 20 1HB LEU 20 2.223 -0.137 -4.103 177 HB3 LEU 20 2HB LEU 20 0.910 -0.400 -5.248 178 HG LEU 20 HG LEU 20 0.836 2.314 -4.901 179 HD11 LEU 20 1HD1 LEU 20 3.084 1.850 -3.623 180 HD12 LEU 20 2HD1 LEU 20 2.921 3.235 -4.704 181 HD13 LEU 20 3HD1 LEU 20 3.741 1.774 -5.258 182 HD21 LEU 20 3HD2 LEU 20 0.628 1.380 -7.041 183 HD22 LEU 20 1HD2 LEU 20 2.187 0.564 -6.932 184 HD23 LEU 20 2HD2 LEU 20 2.120 2.318 -7.106 185 H TRP 21 H TRP 21 0.140 -2.097 -2.546 186 HA TRP 21 HA TRP 21 -2.068 -2.873 -4.235 187 HB2 TRP 21 2HB TRP 21 0.046 -4.214 -2.962 188 HB3 TRP 21 3HB TRP 21 -1.421 -4.809 -2.189 189 HD1 TRP 21 1HD TRP 21 0.448 -4.856 -5.506 190 HE1 TRP 21 1HE TRP 21 -0.642 -6.601 -7.052 191 HE3 TRP 21 3HE TRP 21 -3.683 -5.956 -2.702 192 HZ2 TRP 21 2HZ TRP 21 -2.949 -8.227 -7.080 193 HZ3 TRP 21 3HZ TRP 21 -5.283 -7.616 -3.560 194 HH2 TRP 21 2HH TRP 21 -4.922 -8.727 -5.705 195 H TYR 22 H TYR 22 -1.592 -1.840 -0.964 196 HA TYR 22 HA TYR 22 -4.119 -2.833 -0.002 197 HB2 TYR 22 2HB TYR 22 -2.322 -2.629 1.586 198 HB3 TYR 22 3HB TYR 22 -2.094 -0.930 1.188 199 HD1 TYR 22 1HD TYR 22 -4.591 -3.298 2.611 200 HD2 TYR 22 2HD TYR 22 -3.191 0.715 2.425 201 HE1 TYR 22 1HE TYR 22 -6.151 -2.677 4.409 202 HE2 TYR 22 2HE TYR 22 -4.747 1.347 4.222 203 HH TYR 22 HH TYR 22 -6.288 0.650 5.654 204 H ILE 23 H ILE 23 -2.819 0.251 -1.116 205 HA ILE 23 HA ILE 23 -5.014 1.869 -0.445 206 HB ILE 23 HB ILE 23 -4.174 3.438 -2.149 207 HG12 ILE 23 1HG1 ILE 23 -2.090 1.339 -2.767 208 HG13 ILE 23 2HG1 ILE 23 -3.504 1.626 -3.774 209 HG21 ILE 23 1HG2 ILE 23 -2.904 2.588 0.170 210 HG22 ILE 23 2HG2 ILE 23 -1.612 2.714 -1.023 211 HG23 ILE 23 3HG2 ILE 23 -2.639 4.108 -0.684 212 HD11 ILE 23 3HD1 ILE 23 -1.414 3.691 -3.131 213 HD12 ILE 23 1HD1 ILE 23 -1.462 2.724 -4.605 214 HD13 ILE 23 2HD1 ILE 23 -2.764 3.860 -4.252 215 H LYS 24 H LYS 24 -4.525 -0.398 -3.013 216 HA LYS 24 HA LYS 24 -6.579 0.610 -4.734 217 HB2 LYS 24 1HB LYS 24 -5.035 -1.974 -4.624 218 HB3 LYS 24 2HB LYS 24 -6.338 -1.723 -5.780 219 HG2 LYS 24 1HG LYS 24 -5.147 0.214 -6.691 220 HG3 LYS 24 2HG LYS 24 -3.834 -0.064 -5.545 221 HD2 LYS 24 1HD LYS 24 -3.871 -2.476 -6.607 222 HD3 LYS 24 2HD LYS 24 -4.615 -1.622 -7.961 223 HE2 LYS 24 1HE LYS 24 -2.288 -0.235 -6.910 224 HE3 LYS 24 2HE LYS 24 -1.907 -1.867 -7.460 225 HZ1 LYS 24 3HZ LYS 24 -3.554 -0.186 -9.199 226 HZ2 LYS 24 1HZ LYS 24 -2.405 -1.362 -9.603 227 HZ3 LYS 24 2HZ LYS 24 -1.904 0.172 -9.094 228 H LEU 25 H LEU 25 -6.366 -2.351 -2.751 229 HA LEU 25 HA LEU 25 -9.072 -3.056 -3.025 230 HB2 LEU 25 1HB LEU 25 -8.651 -4.455 -0.984 231 HB3 LEU 25 2HB LEU 25 -7.556 -4.727 -2.337 232 HG LEU 25 HG LEU 25 -6.166 -2.897 -0.872 233 HD11 LEU 25 1HD1 LEU 25 -6.246 -3.841 1.465 234 HD12 LEU 25 2HD1 LEU 25 -7.777 -4.592 1.018 235 HD13 LEU 25 3HD1 LEU 25 -7.616 -2.836 0.992 236 HD21 LEU 25 3HD2 LEU 25 -4.731 -4.715 -0.288 237 HD22 LEU 25 1HD2 LEU 25 -5.411 -5.055 -1.880 238 HD23 LEU 25 2HD2 LEU 25 -6.046 -5.880 -0.456 239 H PHE 26 H PHE 26 -7.386 -1.044 -0.682 240 HA PHE 26 HA PHE 26 -9.309 -0.781 1.280 241 HB2 PHE 26 2HB PHE 26 -7.142 0.201 1.592 242 HB3 PHE 26 3HB PHE 26 -7.358 1.256 0.199 243 HD1 PHE 26 1HD PHE 26 -8.870 0.501 3.518 244 HD2 PHE 26 2HD PHE 26 -8.072 3.423 0.526 245 HE1 PHE 26 1HE PHE 26 -9.773 2.252 4.993 246 HE2 PHE 26 2HE PHE 26 -8.971 5.179 1.997 247 HZ PHE 26 HZ PHE 26 -9.822 4.595 4.233 248 H ILE 27 H ILE 27 -8.861 1.444 -1.475 249 HA ILE 27 HA ILE 27 -11.170 2.947 -1.072 250 HB ILE 27 HB ILE 27 -9.818 2.326 -3.702 251 HG12 ILE 27 1HG1 ILE 27 -8.312 3.313 -2.007 252 HG13 ILE 27 2HG1 ILE 27 -8.602 4.410 -3.353 253 HG21 ILE 27 1HG2 ILE 27 -11.781 4.470 -2.917 254 HG22 ILE 27 2HG2 ILE 27 -10.824 4.506 -4.397 255 HG23 ILE 27 3HG2 ILE 27 -11.991 3.212 -4.134 256 HD11 ILE 27 3HD1 ILE 27 -10.287 5.578 -1.968 257 HD12 ILE 27 1HD1 ILE 27 -9.840 4.537 -0.616 258 HD13 ILE 27 2HD1 ILE 27 -8.654 5.645 -1.306 259 H MET 28 H MET 28 -10.723 -0.158 -2.610 260 HA MET 28 HA MET 28 -13.218 -0.261 -3.952 261 HB2 MET 28 1HB MET 28 -11.267 -1.718 -4.478 262 HB3 MET 28 2HB MET 28 -11.537 -2.570 -2.964 263 HG2 MET 28 1HG MET 28 -13.983 -2.778 -4.054 264 HG3 MET 28 2HG MET 28 -12.997 -2.722 -5.513 265 HE1 MET 28 3HE MET 28 -14.365 -5.972 -3.329 266 HE2 MET 28 1HE MET 28 -13.212 -5.484 -2.088 267 HE3 MET 28 2HE MET 28 -14.371 -4.316 -2.721 268 H ILE 29 H ILE 29 -12.165 -1.109 -0.715 269 HA ILE 29 HA ILE 29 -14.638 -2.407 -0.017 270 HB ILE 29 HB ILE 29 -12.384 -1.459 1.756 271 HG12 ILE 29 1HG1 ILE 29 -12.973 -4.301 0.964 272 HG13 ILE 29 2HG1 ILE 29 -11.956 -3.271 -0.037 273 HG21 ILE 29 1HG2 ILE 29 -13.390 -3.148 3.348 274 HG22 ILE 29 2HG2 ILE 29 -14.305 -1.659 3.113 275 HG23 ILE 29 3HG2 ILE 29 -14.812 -3.142 2.306 276 HD11 ILE 29 3HD1 ILE 29 -11.387 -3.675 2.873 277 HD12 ILE 29 1HD1 ILE 29 -10.821 -4.809 1.648 278 HD13 ILE 29 2HD1 ILE 29 -10.303 -3.124 1.596 279 H VAL 30 H VAL 30 -13.208 0.778 0.391 280 HA VAL 30 HA VAL 30 -15.061 1.807 2.245 281 HB VAL 30 HB VAL 30 -13.484 3.298 0.144 282 HG11 VAL 30 1HG1 VAL 30 -13.740 5.166 1.888 283 HG12 VAL 30 2HG1 VAL 30 -15.128 4.792 0.864 284 HG13 VAL 30 3HG1 VAL 30 -15.071 4.200 2.524 285 HG21 VAL 30 3HG2 VAL 30 -11.679 2.860 1.364 286 HG22 VAL 30 1HG2 VAL 30 -12.438 3.635 2.755 287 HG23 VAL 30 2HG2 VAL 30 -12.651 1.905 2.484 288 H GLY 31 H GLY 31 -14.985 1.890 -1.306 289 HA2 GLY 31 1HA GLY 31 -17.262 3.478 -1.693 290 HA3 GLY 31 2HA GLY 31 -16.632 2.312 -2.847 291 H LYS 32 H LYS 32 -16.952 -0.029 -1.321 292 HA LYS 32 HA LYS 32 -19.578 -0.738 -1.939 293 HB2 LYS 32 1HB LYS 32 -17.574 -1.999 -0.068 294 HB3 LYS 32 2HB LYS 32 -19.125 -2.735 -0.448 295 HG2 LYS 32 1HG LYS 32 -17.022 -2.036 -2.484 296 HG3 LYS 32 2HG LYS 32 -17.250 -3.637 -1.777 297 HD2 LYS 32 1HD LYS 32 -19.769 -3.081 -2.615 298 HD3 LYS 32 2HD LYS 32 -18.817 -2.231 -3.835 299 HE2 LYS 32 1HE LYS 32 -17.462 -4.477 -3.889 300 HE3 LYS 32 2HE LYS 32 -18.947 -5.146 -3.212 301 HZ1 LYS 32 3HZ LYS 32 -18.386 -4.346 -5.888 302 HZ2 LYS 32 1HZ LYS 32 -19.771 -3.574 -5.297 303 HZ3 LYS 32 2HZ LYS 32 -19.676 -5.262 -5.290 304 H LYS 33 H LYS 33 -18.148 -0.114 1.266 305 HA LYS 33 HA LYS 33 -20.600 -0.309 2.668 306 HB2 LYS 33 1HB LYS 33 -18.074 1.144 3.474 307 HB3 LYS 33 2HB LYS 33 -19.381 0.671 4.550 308 HG2 LYS 33 1HG LYS 33 -17.837 -1.336 2.940 309 HG3 LYS 33 2HG LYS 33 -17.306 -0.788 4.531 310 HD2 LYS 33 1HD LYS 33 -19.784 -1.397 5.193 311 HD3 LYS 33 2HD LYS 33 -19.667 -2.441 3.776 312 HE2 LYS 33 1HE LYS 33 -17.395 -3.150 4.895 313 HE3 LYS 33 2HE LYS 33 -18.181 -2.557 6.357 314 HZ1 LYS 33 3HZ LYS 33 -18.936 -4.826 4.641 315 HZ2 LYS 33 1HZ LYS 33 -20.114 -4.050 5.575 316 HZ3 LYS 33 2HZ LYS 33 -18.778 -4.765 6.324 317 H LYS 34 H LYS 34 -19.062 2.252 0.915 318 HA LYS 34 HA LYS 34 -20.310 4.476 2.081 319 HB2 LYS 34 1HB LYS 34 -18.626 3.970 -0.138 320 HB3 LYS 34 2HB LYS 34 -20.013 4.861 -0.748 321 HG2 LYS 34 1HG LYS 34 -18.788 5.890 1.730 322 HG3 LYS 34 2HG LYS 34 -17.829 6.034 0.255 323 HD2 LYS 34 1HD LYS 34 -19.342 7.451 -0.748 324 HD3 LYS 34 2HD LYS 34 -20.699 6.855 0.211 325 HE2 LYS 34 1HE LYS 34 -19.707 7.953 2.201 326 HE3 LYS 34 2HE LYS 34 -18.448 8.623 1.165 327 HZ1 LYS 34 3HZ LYS 34 -20.219 10.217 1.542 328 HZ2 LYS 34 1HZ LYS 34 -21.361 9.143 0.904 329 HZ3 LYS 34 2HZ LYS 34 -20.155 9.786 -0.092 330 H LYS 35 H LYS 35 -21.340 2.340 -0.546 331 HA LYS 35 HA LYS 35 -23.355 2.005 -1.546 332 HB2 LYS 35 1HB LYS 35 -23.858 2.252 1.179 333 HB3 LYS 35 2HB LYS 35 -25.032 3.329 0.432 334 HG2 LYS 35 1HG LYS 35 -26.223 1.637 -0.438 335 HG3 LYS 35 2HG LYS 35 -24.788 0.686 -0.827 336 HD2 LYS 35 1HD LYS 35 -25.926 -0.540 0.834 337 HD3 LYS 35 2HD LYS 35 -24.584 0.249 1.667 338 HE2 LYS 35 1HE LYS 35 -26.098 1.014 3.112 339 HE3 LYS 35 2HE LYS 35 -26.635 2.095 1.827 340 HZ1 LYS 35 3HZ LYS 35 -28.578 1.051 2.375 341 HZ2 LYS 35 1HZ LYS 35 -27.830 -0.417 2.762 342 HZ3 LYS 35 2HZ LYS 35 -28.036 0.026 1.143 343 H LYS 36 H LYS 36 -25.549 3.256 -2.067 344 HA LYS 36 HA LYS 36 -24.704 5.713 -3.336 345 HB2 LYS 36 1HB LYS 36 -27.194 4.032 -3.451 346 HB3 LYS 36 2HB LYS 36 -27.155 5.637 -4.169 347 HG2 LYS 36 1HG LYS 36 -24.851 4.210 -5.032 348 HG3 LYS 36 2HG LYS 36 -26.274 3.194 -5.277 349 HD2 LYS 36 1HD LYS 36 -26.186 4.399 -7.250 350 HD3 LYS 36 2HD LYS 36 -27.318 5.348 -6.285 351 HE2 LYS 36 1HE LYS 36 -25.036 6.529 -5.549 352 HE3 LYS 36 2HE LYS 36 -24.558 5.977 -7.154 353 HZ1 LYS 36 3HZ LYS 36 -25.756 8.285 -6.753 354 HZ2 LYS 36 1HZ LYS 36 -27.136 7.321 -6.927 355 HZ3 LYS 36 2HZ LYS 36 -25.988 7.386 -8.167 Start of MODEL 12 1 H1 LYS 1 H LYS 1 21.663 11.261 5.278 2 HA LYS 1 HA LYS 1 21.404 13.147 6.980 3 HB2 LYS 1 1HB LYS 1 20.163 10.772 8.322 4 HB3 LYS 1 2HB LYS 1 20.955 12.005 9.295 5 HG2 LYS 1 1HG LYS 1 19.465 13.698 8.444 6 HG3 LYS 1 2HG LYS 1 18.724 12.534 7.344 7 HD2 LYS 1 1HD LYS 1 17.265 12.749 9.208 8 HD3 LYS 1 2HD LYS 1 18.078 11.191 9.372 9 HE2 LYS 1 1HE LYS 1 19.765 12.463 10.837 10 HE3 LYS 1 2HE LYS 1 18.541 13.730 10.902 11 HZ1 LYS 1 3HZ LYS 1 18.479 12.094 12.768 12 HZ2 LYS 1 1HZ LYS 1 18.001 10.914 11.653 13 HZ3 LYS 1 2HZ LYS 1 17.018 12.263 11.932 14 H LYS 2 H LYS 2 22.306 9.795 7.814 15 HA LYS 2 HA LYS 2 25.080 10.720 8.138 16 HB2 LYS 2 1HB LYS 2 23.774 8.663 9.921 17 HB3 LYS 2 2HB LYS 2 25.369 9.382 10.107 18 HG2 LYS 2 1HG LYS 2 22.799 10.937 10.282 19 HG3 LYS 2 2HG LYS 2 23.640 10.252 11.675 20 HD2 LYS 2 1HD LYS 2 25.685 11.562 10.606 21 HD3 LYS 2 2HD LYS 2 24.381 12.549 9.941 22 HE2 LYS 2 1HE LYS 2 23.504 12.910 12.193 23 HE3 LYS 2 2HE LYS 2 24.792 11.908 12.861 24 HZ1 LYS 2 3HZ LYS 2 24.915 14.579 12.586 25 HZ2 LYS 2 1HZ LYS 2 25.717 14.067 11.188 26 HZ3 LYS 2 2HZ LYS 2 26.263 13.564 12.708 27 H LYS 3 H LYS 3 26.476 9.609 6.945 28 HA LYS 3 HA LYS 3 27.411 7.991 5.649 29 HB2 LYS 3 1HB LYS 3 26.111 6.587 7.820 30 HB3 LYS 3 2HB LYS 3 26.100 5.616 6.352 31 HG2 LYS 3 1HG LYS 3 28.541 5.927 6.166 32 HG3 LYS 3 2HG LYS 3 28.517 6.810 7.695 33 HD2 LYS 3 1HD LYS 3 27.688 4.848 8.851 34 HD3 LYS 3 2HD LYS 3 27.589 3.961 7.328 35 HE2 LYS 3 1HE LYS 3 29.599 3.201 8.124 36 HE3 LYS 3 2HE LYS 3 30.135 4.582 7.170 37 HZ1 LYS 3 3HZ LYS 3 30.025 5.896 9.282 38 HZ2 LYS 3 1HZ LYS 3 31.228 4.707 9.242 39 HZ3 LYS 3 2HZ LYS 3 29.802 4.438 10.111 40 H LYS 4 H LYS 4 26.875 6.238 4.005 41 HA LYS 4 HA LYS 4 24.938 7.206 2.220 42 HB2 LYS 4 1HB LYS 4 26.584 4.706 2.360 43 HB3 LYS 4 2HB LYS 4 25.324 4.853 1.142 44 HG2 LYS 4 1HG LYS 4 26.549 7.172 0.717 45 HG3 LYS 4 2HG LYS 4 27.912 6.270 1.382 46 HD2 LYS 4 1HD LYS 4 27.950 4.775 -0.366 47 HD3 LYS 4 2HD LYS 4 26.238 5.001 -0.734 48 HE2 LYS 4 1HE LYS 4 27.588 7.482 -1.104 49 HE3 LYS 4 2HE LYS 4 28.483 6.225 -1.956 50 HZ1 LYS 4 3HZ LYS 4 25.746 7.184 -2.402 51 HZ2 LYS 4 1HZ LYS 4 26.112 5.574 -2.775 52 HZ3 LYS 4 2HZ LYS 4 26.958 6.831 -3.526 53 H ASP 5 H ASP 5 22.856 6.679 1.822 54 HA ASP 5 HA ASP 5 21.650 4.583 3.507 55 HB2 ASP 5 1HB ASP 5 20.429 7.210 2.635 56 HB3 ASP 5 2HB ASP 5 19.579 5.944 3.518 57 H LYS 6 H LYS 6 22.662 3.901 1.061 58 HA LYS 6 HA LYS 6 20.706 4.075 -1.017 59 HB2 LYS 6 1HB LYS 6 23.374 2.956 -0.671 60 HB3 LYS 6 2HB LYS 6 22.334 1.911 -1.628 61 HG2 LYS 6 1HG LYS 6 22.625 4.837 -2.223 62 HG3 LYS 6 2HG LYS 6 23.736 3.627 -2.872 63 HD2 LYS 6 1HD LYS 6 20.747 3.458 -3.207 64 HD3 LYS 6 2HD LYS 6 21.799 4.276 -4.365 65 HE2 LYS 6 1HE LYS 6 22.655 2.335 -5.157 66 HE3 LYS 6 2HE LYS 6 22.593 1.540 -3.584 67 HZ1 LYS 6 3HZ LYS 6 20.286 2.009 -5.396 68 HZ2 LYS 6 1HZ LYS 6 20.193 1.295 -3.865 69 HZ3 LYS 6 2HZ LYS 6 21.042 0.524 -5.108 70 H TRP 7 H TRP 7 21.726 1.501 1.211 71 HA TRP 7 HA TRP 7 19.654 -0.280 0.280 72 HB2 TRP 7 2HB TRP 7 20.488 -1.770 2.104 73 HB3 TRP 7 3HB TRP 7 21.744 -1.262 0.978 74 HD1 TRP 7 1HD TRP 7 20.598 -0.793 4.599 75 HE1 TRP 7 1HE TRP 7 22.530 0.245 5.946 76 HE3 TRP 7 3HE TRP 7 23.822 0.198 0.758 77 HZ2 TRP 7 2HZ TRP 7 25.083 1.340 5.445 78 HZ3 TRP 7 3HZ TRP 7 25.989 1.242 1.276 79 HH2 TRP 7 2HH TRP 7 26.604 1.801 3.572 80 H ALA 8 H ALA 8 20.110 2.008 2.859 81 HA ALA 8 HA ALA 8 18.133 1.117 4.640 82 HB1 ALA 8 3HB ALA 8 19.961 3.080 4.723 83 HB2 ALA 8 1HB ALA 8 18.513 4.033 4.393 84 HB3 ALA 8 2HB ALA 8 18.580 2.993 5.817 85 H SER 9 H SER 9 17.952 3.084 1.737 86 HA SER 9 HA SER 9 15.165 3.737 2.154 87 HB2 SER 9 1HB SER 9 17.246 4.846 0.650 88 HB3 SER 9 2HB SER 9 16.124 4.198 -0.545 89 HG SER 9 HG SER 9 14.458 5.344 0.695 90 H LEU 10 H LEU 10 17.067 1.473 0.267 91 HA LEU 10 HA LEU 10 15.005 0.572 -1.439 92 HB2 LEU 10 1HB LEU 10 17.667 0.142 -1.282 93 HB3 LEU 10 2HB LEU 10 17.062 -1.376 -0.621 94 HG LEU 10 HG LEU 10 15.989 -0.390 -3.227 95 HD11 LEU 10 1HD1 LEU 10 17.882 -1.903 -4.196 96 HD12 LEU 10 2HD1 LEU 10 18.728 -1.453 -2.716 97 HD13 LEU 10 3HD1 LEU 10 18.195 -0.204 -3.841 98 HD21 LEU 10 3HD2 LEU 10 16.318 -3.004 -1.812 99 HD22 LEU 10 1HD2 LEU 10 16.133 -2.956 -3.565 100 HD23 LEU 10 2HD2 LEU 10 14.872 -2.291 -2.528 101 H TRP 11 H TRP 11 16.409 -1.045 1.419 102 HA TRP 11 HA TRP 11 14.571 -3.100 1.628 103 HB2 TRP 11 2HB TRP 11 16.152 -1.655 3.755 104 HB3 TRP 11 3HB TRP 11 15.174 -3.079 4.099 105 HD1 TRP 11 1HD TRP 11 18.611 -2.250 3.459 106 HE1 TRP 11 1HE TRP 11 19.937 -4.254 2.539 107 HE3 TRP 11 3HE TRP 11 14.703 -5.261 2.118 108 HZ2 TRP 11 2HZ TRP 11 19.398 -6.778 1.395 109 HZ3 TRP 11 3HZ TRP 11 15.194 -7.454 1.116 110 HH2 TRP 11 2HH TRP 11 17.495 -8.195 0.762 111 H ASN 12 H ASN 12 14.329 0.225 2.724 112 HA ASN 12 HA ASN 12 12.039 -0.085 4.348 113 HB2 ASN 12 1HB ASN 12 13.658 2.098 3.339 114 HB3 ASN 12 2HB ASN 12 11.946 2.510 3.303 115 HD21 ASN 12 2HD2 ASN 12 14.689 1.838 5.276 116 HD22 ASN 12 1HD2 ASN 12 13.965 2.238 6.793 117 H TRP 13 H TRP 13 12.486 0.381 0.909 118 HA TRP 13 HA TRP 13 9.903 1.163 0.193 119 HB2 TRP 13 2HB TRP 13 11.945 1.107 -1.295 120 HB3 TRP 13 3HB TRP 13 11.695 -0.630 -1.449 121 HD1 TRP 13 1HD TRP 13 10.054 2.714 -2.410 122 HE1 TRP 13 1HE TRP 13 8.452 2.293 -4.380 123 HE3 TRP 13 3HE TRP 13 10.338 -2.387 -2.611 124 HZ2 TRP 13 2HZ TRP 13 7.443 0.090 -5.829 125 HZ3 TRP 13 3HZ TRP 13 9.022 -3.574 -4.319 126 HH2 TRP 13 2HH TRP 13 7.606 -2.359 -5.892 127 H PHE 14 H PHE 14 11.095 -1.866 1.295 128 HA PHE 14 HA PHE 14 9.386 -3.703 0.153 129 HB2 PHE 14 2HB PHE 14 11.283 -4.161 1.762 130 HB3 PHE 14 3HB PHE 14 10.179 -3.736 3.066 131 HD1 PHE 14 1HD PHE 14 7.984 -5.065 3.213 132 HD2 PHE 14 2HD PHE 14 11.370 -6.334 0.967 133 HE1 PHE 14 1HE PHE 14 7.140 -7.376 3.253 134 HE2 PHE 14 2HE PHE 14 10.532 -8.646 1.004 135 HZ PHE 14 HZ PHE 14 8.415 -9.170 2.147 136 H ASP 15 H ASP 15 8.846 -2.008 3.245 137 HA ASP 15 HA ASP 15 6.249 -2.909 3.687 138 HB2 ASP 15 1HB ASP 15 7.719 -1.688 5.328 139 HB3 ASP 15 2HB ASP 15 7.312 -0.196 4.486 140 H ILE 16 H ILE 16 7.421 -0.165 1.814 141 HA ILE 16 HA ILE 16 4.880 0.994 1.322 142 HB ILE 16 HB ILE 16 7.514 1.239 -0.122 143 HG12 ILE 16 1HG1 ILE 16 7.195 3.633 0.830 144 HG13 ILE 16 2HG1 ILE 16 5.996 2.888 1.882 145 HG21 ILE 16 1HG2 ILE 16 6.161 3.373 -1.008 146 HG22 ILE 16 2HG2 ILE 16 6.224 1.842 -1.882 147 HG23 ILE 16 3HG2 ILE 16 4.830 2.224 -0.871 148 HD11 ILE 16 3HD1 ILE 16 8.305 3.143 2.836 149 HD12 ILE 16 1HD1 ILE 16 7.617 1.522 2.913 150 HD13 ILE 16 2HD1 ILE 16 8.827 1.910 1.690 151 H THR 17 H THR 17 6.674 -1.589 -0.168 152 HA THR 17 HA THR 17 5.519 -1.719 -2.681 153 HB THR 17 HB THR 17 5.987 -4.263 -1.179 154 HG1 THR 17 1HG THR 17 8.266 -3.923 -1.546 155 HG21 THR 17 3HG2 THR 17 6.365 -3.246 -3.971 156 HG22 THR 17 1HG2 THR 17 5.498 -4.677 -3.413 157 HG23 THR 17 2HG2 THR 17 7.261 -4.657 -3.408 158 H ASN 18 H ASN 18 4.430 -3.389 0.278 159 HA ASN 18 HA ASN 18 2.014 -4.313 -0.951 160 HB2 ASN 18 1HB ASN 18 3.188 -5.484 0.933 161 HB3 ASN 18 2HB ASN 18 2.664 -4.184 1.999 162 HD21 ASN 18 2HD2 ASN 18 2.002 -7.219 1.167 163 HD22 ASN 18 1HD2 ASN 18 0.298 -7.265 1.449 164 H TRP 19 H TRP 19 2.952 -1.544 0.954 165 HA TRP 19 HA TRP 19 0.523 -0.641 1.902 166 HB2 TRP 19 2HB TRP 19 2.630 0.441 2.475 167 HB3 TRP 19 3HB TRP 19 2.827 0.991 0.814 168 HD1 TRP 19 1HD TRP 19 0.264 1.469 3.697 169 HE1 TRP 19 1HE TRP 19 -0.607 3.888 3.581 170 HE3 TRP 19 3HE TRP 19 2.751 3.027 -0.490 171 HZ2 TRP 19 2HZ TRP 19 -0.284 6.157 1.933 172 HZ3 TRP 19 3HZ TRP 19 2.415 5.337 -1.270 173 HH2 TRP 19 2HH TRP 19 0.929 6.867 -0.083 174 H LEU 20 H LEU 20 2.036 0.269 -1.201 175 HA LEU 20 HA LEU 20 -0.066 1.781 -2.205 176 HB2 LEU 20 1HB LEU 20 2.316 0.481 -3.262 177 HB3 LEU 20 2HB LEU 20 1.006 0.567 -4.438 178 HG LEU 20 HG LEU 20 1.094 3.124 -3.413 179 HD11 LEU 20 1HD1 LEU 20 3.209 3.809 -2.995 180 HD12 LEU 20 2HD1 LEU 20 3.931 2.607 -4.063 181 HD13 LEU 20 3HD1 LEU 20 3.381 2.139 -2.455 182 HD21 LEU 20 3HD2 LEU 20 2.533 3.409 -5.640 183 HD22 LEU 20 1HD2 LEU 20 0.805 3.055 -5.661 184 HD23 LEU 20 2HD2 LEU 20 1.975 1.753 -5.885 185 H TRP 21 H TRP 21 0.283 -1.656 -1.945 186 HA TRP 21 HA TRP 21 -1.831 -2.257 -3.815 187 HB2 TRP 21 2HB TRP 21 0.242 -3.713 -2.529 188 HB3 TRP 21 3HB TRP 21 -1.288 -4.457 -2.068 189 HD1 TRP 21 1HD TRP 21 1.185 -4.352 -4.838 190 HE1 TRP 21 1HE TRP 21 0.299 -5.657 -6.873 191 HE3 TRP 21 3HE TRP 21 -3.682 -4.923 -3.381 192 HZ2 TRP 21 2HZ TRP 21 -2.140 -6.778 -7.745 193 HZ3 TRP 21 3HZ TRP 21 -5.227 -6.123 -4.873 194 HH2 TRP 21 2HH TRP 21 -4.470 -7.030 -7.009 195 H TYR 22 H TYR 22 -1.485 -1.798 -0.372 196 HA TYR 22 HA TYR 22 -4.044 -2.897 0.307 197 HB2 TYR 22 2HB TYR 22 -2.039 -2.711 1.856 198 HB3 TYR 22 3HB TYR 22 -2.402 -0.993 1.978 199 HD1 TYR 22 2HD TYR 22 -4.084 -4.306 2.372 200 HD2 TYR 22 1HD TYR 22 -3.765 -0.277 3.700 201 HE1 TYR 22 2HE TYR 22 -5.693 -4.778 4.171 202 HE2 TYR 22 1HE TYR 22 -5.373 -0.737 5.504 203 HH TYR 22 HH TYR 22 -6.053 -3.235 6.767 204 H ILE 23 H ILE 23 -2.752 0.332 -0.285 205 HA ILE 23 HA ILE 23 -5.037 1.784 0.501 206 HB ILE 23 HB ILE 23 -4.112 3.647 -0.773 207 HG12 ILE 23 1HG1 ILE 23 -2.047 1.676 -1.773 208 HG13 ILE 23 2HG1 ILE 23 -3.380 2.299 -2.738 209 HG21 ILE 23 1HG2 ILE 23 -2.852 2.271 1.326 210 HG22 ILE 23 2HG2 ILE 23 -1.569 2.798 0.237 211 HG23 ILE 23 3HG2 ILE 23 -2.698 3.977 0.905 212 HD11 ILE 23 3HD1 ILE 23 -1.635 3.642 -3.387 213 HD12 ILE 23 1HD1 ILE 23 -2.391 4.616 -2.127 214 HD13 ILE 23 2HD1 ILE 23 -0.931 3.692 -1.772 215 H LYS 24 H LYS 24 -4.256 0.024 -2.382 216 HA LYS 24 HA LYS 24 -6.202 1.267 -4.069 217 HB2 LYS 24 1HB LYS 24 -4.571 -1.253 -4.259 218 HB3 LYS 24 2HB LYS 24 -5.811 -0.879 -5.449 219 HG2 LYS 24 1HG LYS 24 -4.674 1.150 -6.067 220 HG3 LYS 24 2HG LYS 24 -3.486 0.914 -4.784 221 HD2 LYS 24 1HD LYS 24 -3.174 -1.409 -6.044 222 HD3 LYS 24 2HD LYS 24 -3.756 -0.450 -7.407 223 HE2 LYS 24 1HE LYS 24 -1.765 0.987 -5.885 224 HE3 LYS 24 2HE LYS 24 -1.150 -0.576 -6.420 225 HZ1 LYS 24 3HZ LYS 24 -0.706 0.557 -8.290 226 HZ2 LYS 24 1HZ LYS 24 -1.843 1.770 -7.974 227 HZ3 LYS 24 2HZ LYS 24 -2.341 0.297 -8.641 228 H LEU 25 H LEU 25 -6.064 -1.980 -2.591 229 HA LEU 25 HA LEU 25 -8.703 -2.693 -3.219 230 HB2 LEU 25 1HB LEU 25 -8.429 -4.378 -1.389 231 HB3 LEU 25 2HB LEU 25 -7.179 -4.403 -2.630 232 HG LEU 25 HG LEU 25 -6.018 -2.801 -0.782 233 HD11 LEU 25 1HD1 LEU 25 -6.771 -4.765 1.153 234 HD12 LEU 25 2HD1 LEU 25 -8.210 -3.927 0.571 235 HD13 LEU 25 3HD1 LEU 25 -6.868 -3.007 1.252 236 HD21 LEU 25 3HD2 LEU 25 -4.683 -4.735 -0.181 237 HD22 LEU 25 1HD2 LEU 25 -5.036 -4.751 -1.909 238 HD23 LEU 25 2HD2 LEU 25 -5.924 -5.815 -0.819 239 H PHE 26 H PHE 26 -7.328 -1.040 -0.430 240 HA PHE 26 HA PHE 26 -9.459 -1.111 1.325 241 HB2 PHE 26 2HB PHE 26 -7.364 -0.179 2.029 242 HB3 PHE 26 3HB PHE 26 -7.451 1.084 0.805 243 HD1 PHE 26 2HD PHE 26 -9.305 -0.200 3.770 244 HD2 PHE 26 1HD PHE 26 -8.241 3.167 1.393 245 HE1 PHE 26 2HE PHE 26 -10.404 1.288 5.392 246 HE2 PHE 26 1HE PHE 26 -9.338 4.660 3.011 247 HZ PHE 26 HZ PHE 26 -10.422 3.721 5.013 248 H ILE 27 H ILE 27 -8.758 1.574 -0.920 249 HA ILE 27 HA ILE 27 -11.141 2.955 -0.561 250 HB ILE 27 HB ILE 27 -9.483 2.799 -3.082 251 HG12 ILE 27 1HG1 ILE 27 -8.202 3.494 -1.086 252 HG13 ILE 27 2HG1 ILE 27 -8.373 4.805 -2.248 253 HG21 ILE 27 1HG2 ILE 27 -10.590 5.306 -2.957 254 HG22 ILE 27 2HG2 ILE 27 -11.165 3.977 -3.961 255 HG23 ILE 27 3HG2 ILE 27 -11.899 4.273 -2.385 256 HD11 ILE 27 3HD1 ILE 27 -8.976 4.847 0.474 257 HD12 ILE 27 1HD1 ILE 27 -9.315 6.097 -0.723 258 HD13 ILE 27 2HD1 ILE 27 -10.529 4.870 -0.360 259 H MET 28 H MET 28 -10.420 0.189 -2.583 260 HA MET 28 HA MET 28 -12.746 0.286 -4.191 261 HB2 MET 28 1HB MET 28 -10.639 -1.065 -4.617 262 HB3 MET 28 2HB MET 28 -11.232 -2.209 -3.420 263 HG2 MET 28 1HG MET 28 -13.393 -2.025 -5.013 264 HG3 MET 28 2HG MET 28 -12.111 -1.728 -6.184 265 HE1 MET 28 3HE MET 28 -14.066 -4.209 -4.136 266 HE2 MET 28 1HE MET 28 -13.024 -5.622 -3.964 267 HE3 MET 28 2HE MET 28 -12.685 -4.160 -3.040 268 H ILE 29 H ILE 29 -12.054 -1.094 -1.039 269 HA ILE 29 HA ILE 29 -14.592 -2.467 -0.881 270 HB ILE 29 HB ILE 29 -12.521 -1.965 1.260 271 HG12 ILE 29 1HG1 ILE 29 -13.060 -4.573 -0.140 272 HG13 ILE 29 2HG1 ILE 29 -11.936 -3.397 -0.812 273 HG21 ILE 29 1HG2 ILE 29 -15.151 -3.321 1.259 274 HG22 ILE 29 2HG2 ILE 29 -13.839 -4.121 2.123 275 HG23 ILE 29 3HG2 ILE 29 -14.308 -2.478 2.560 276 HD11 ILE 29 3HD1 ILE 29 -10.364 -3.812 0.747 277 HD12 ILE 29 1HD1 ILE 29 -11.546 -4.108 2.023 278 HD13 ILE 29 2HD1 ILE 29 -11.198 -5.363 0.832 279 H VAL 30 H VAL 30 -13.190 0.542 0.252 280 HA VAL 30 HA VAL 30 -15.185 1.242 2.115 281 HB VAL 30 HB VAL 30 -13.503 3.126 0.456 282 HG11 VAL 30 1HG1 VAL 30 -15.070 4.480 1.470 283 HG12 VAL 30 2HG1 VAL 30 -15.203 3.442 2.891 284 HG13 VAL 30 3HG1 VAL 30 -13.783 4.466 2.676 285 HG21 VAL 30 3HG2 VAL 30 -12.465 2.858 3.057 286 HG22 VAL 30 1HG2 VAL 30 -12.737 1.224 2.454 287 HG23 VAL 30 2HG2 VAL 30 -11.728 2.344 1.540 288 H GLY 31 H GLY 31 -14.762 2.203 -1.295 289 HA2 GLY 31 1HA GLY 31 -17.061 3.769 -1.525 290 HA3 GLY 31 2HA GLY 31 -16.277 2.933 -2.856 291 H LYS 32 H LYS 32 -16.684 0.293 -1.628 292 HA LYS 32 HA LYS 32 -19.160 -0.341 -2.817 293 HB2 LYS 32 1HB LYS 32 -17.266 -1.849 -1.037 294 HB3 LYS 32 2HB LYS 32 -18.804 -2.554 -1.517 295 HG2 LYS 32 1HG LYS 32 -17.029 -1.452 -3.632 296 HG3 LYS 32 2HG LYS 32 -16.605 -2.994 -2.886 297 HD2 LYS 32 1HD LYS 32 -19.341 -3.164 -3.421 298 HD3 LYS 32 2HD LYS 32 -18.639 -2.396 -4.847 299 HE2 LYS 32 1HE LYS 32 -18.342 -4.577 -5.428 300 HE3 LYS 32 2HE LYS 32 -16.843 -4.321 -4.535 301 HZ1 LYS 32 3HZ LYS 32 -17.510 -5.646 -2.857 302 HZ2 LYS 32 1HZ LYS 32 -18.498 -6.331 -4.048 303 HZ3 LYS 32 2HZ LYS 32 -19.136 -5.192 -2.974 304 H LYS 33 H LYS 33 -18.190 -0.115 0.597 305 HA LYS 33 HA LYS 33 -20.764 -0.707 1.631 306 HB2 LYS 33 1HB LYS 33 -18.486 0.785 2.946 307 HB3 LYS 33 2HB LYS 33 -19.870 0.078 3.771 308 HG2 LYS 33 1HG LYS 33 -17.784 -1.448 2.224 309 HG3 LYS 33 2HG LYS 33 -17.876 -1.313 3.982 310 HD2 LYS 33 1HD LYS 33 -20.151 -2.343 3.861 311 HD3 LYS 33 2HD LYS 33 -19.872 -2.625 2.141 312 HE2 LYS 33 1HE LYS 33 -18.504 -4.363 2.527 313 HE3 LYS 33 2HE LYS 33 -17.711 -3.562 3.883 314 HZ1 LYS 33 3HZ LYS 33 -18.900 -4.777 5.276 315 HZ2 LYS 33 1HZ LYS 33 -19.610 -5.594 3.975 316 HZ3 LYS 33 2HZ LYS 33 -20.349 -4.211 4.609 317 H LYS 34 H LYS 34 -19.218 2.212 0.537 318 HA LYS 34 HA LYS 34 -20.985 4.055 1.784 319 HB2 LYS 34 1HB LYS 34 -18.670 4.195 0.192 320 HB3 LYS 34 2HB LYS 34 -19.917 5.049 -0.707 321 HG2 LYS 34 1HG LYS 34 -20.351 6.162 1.650 322 HG3 LYS 34 2HG LYS 34 -18.665 5.706 1.902 323 HD2 LYS 34 1HD LYS 34 -18.782 6.831 -0.664 324 HD3 LYS 34 2HD LYS 34 -19.760 7.878 0.365 325 HE2 LYS 34 1HE LYS 34 -17.715 8.815 0.725 326 HE3 LYS 34 2HE LYS 34 -17.692 7.591 1.993 327 HZ1 LYS 34 3HZ LYS 34 -15.919 7.893 -0.149 328 HZ2 LYS 34 1HZ LYS 34 -16.739 6.429 -0.368 329 HZ3 LYS 34 2HZ LYS 34 -15.897 6.720 1.070 330 H LYS 35 H LYS 35 -21.163 2.113 -1.078 331 HA LYS 35 HA LYS 35 -22.739 1.866 -2.703 332 HB2 LYS 35 1HB LYS 35 -24.546 2.976 -0.547 333 HB3 LYS 35 2HB LYS 35 -25.080 2.114 -1.985 334 HG2 LYS 35 1HG LYS 35 -24.031 0.094 -1.236 335 HG3 LYS 35 2HG LYS 35 -23.290 0.933 0.129 336 HD2 LYS 35 1HD LYS 35 -25.073 0.265 1.302 337 HD3 LYS 35 2HD LYS 35 -25.964 1.512 0.425 338 HE2 LYS 35 1HE LYS 35 -27.043 0.010 -0.875 339 HE3 LYS 35 2HE LYS 35 -25.648 -1.065 -0.972 340 HZ1 LYS 35 3HZ LYS 35 -26.641 -1.022 1.669 341 HZ2 LYS 35 1HZ LYS 35 -26.517 -2.331 0.603 342 HZ3 LYS 35 2HZ LYS 35 -27.908 -1.369 0.604 343 H LYS 36 H LYS 36 -21.530 3.704 -3.744 344 HA LYS 36 HA LYS 36 -23.393 5.546 -4.836 345 HB2 LYS 36 1HB LYS 36 -22.558 6.475 -2.483 346 HB3 LYS 36 2HB LYS 36 -21.194 7.009 -3.456 347 HG2 LYS 36 1HG LYS 36 -23.902 7.614 -4.485 348 HG3 LYS 36 2HG LYS 36 -23.356 8.504 -3.062 349 HD2 LYS 36 1HD LYS 36 -21.161 8.649 -4.666 350 HD3 LYS 36 2HD LYS 36 -22.466 8.673 -5.856 351 HE2 LYS 36 1HE LYS 36 -21.966 10.933 -5.251 352 HE3 LYS 36 2HE LYS 36 -23.527 10.510 -4.548 353 HZ1 LYS 36 3HZ LYS 36 -22.743 10.751 -2.482 354 HZ2 LYS 36 1HZ LYS 36 -21.489 11.630 -3.198 355 HZ3 LYS 36 2HZ LYS 36 -21.270 9.995 -2.827 Start of MODEL 13 1 H1 LYS 1 H LYS 1 26.282 -2.503 10.776 2 HA LYS 1 HA LYS 1 25.270 -1.268 8.398 3 HB2 LYS 1 1HB LYS 1 23.878 -1.592 11.059 4 HB3 LYS 1 2HB LYS 1 23.120 -1.324 9.496 5 HG2 LYS 1 1HG LYS 1 24.669 -3.616 9.166 6 HG3 LYS 1 2HG LYS 1 23.915 -3.787 10.753 7 HD2 LYS 1 1HD LYS 1 22.252 -2.896 8.442 8 HD3 LYS 1 2HD LYS 1 22.679 -4.602 8.585 9 HE2 LYS 1 1HE LYS 1 21.651 -3.263 11.017 10 HE3 LYS 1 2HE LYS 1 20.498 -3.544 9.714 11 HZ1 LYS 1 3HZ LYS 1 21.423 -5.371 11.601 12 HZ2 LYS 1 1HZ LYS 1 22.029 -5.869 10.103 13 HZ3 LYS 1 2HZ LYS 1 20.363 -5.656 10.314 14 H LYS 2 H LYS 2 27.257 0.357 9.316 15 HA LYS 2 HA LYS 2 25.747 2.752 10.091 16 HB2 LYS 2 1HB LYS 2 28.488 2.123 11.188 17 HB3 LYS 2 2HB LYS 2 27.433 3.454 11.643 18 HG2 LYS 2 1HG LYS 2 26.798 0.548 12.109 19 HG3 LYS 2 2HG LYS 2 27.519 1.624 13.308 20 HD2 LYS 2 1HD LYS 2 25.138 2.767 12.107 21 HD3 LYS 2 2HD LYS 2 24.813 1.212 12.874 22 HE2 LYS 2 1HE LYS 2 25.508 1.965 14.969 23 HE3 LYS 2 2HE LYS 2 26.392 3.330 14.288 24 HZ1 LYS 2 3HZ LYS 2 24.138 3.745 15.424 25 HZ2 LYS 2 1HZ LYS 2 23.466 3.157 13.986 26 HZ3 LYS 2 2HZ LYS 2 24.461 4.525 13.958 27 H LYS 3 H LYS 3 26.206 2.332 7.520 28 HA LYS 3 HA LYS 3 28.236 4.332 6.881 29 HB2 LYS 3 1HB LYS 3 28.181 1.517 5.858 30 HB3 LYS 3 2HB LYS 3 28.789 2.805 4.827 31 HG2 LYS 3 1HG LYS 3 30.442 3.384 6.539 32 HG3 LYS 3 2HG LYS 3 29.841 2.069 7.552 33 HD2 LYS 3 1HD LYS 3 30.334 0.575 5.501 34 HD3 LYS 3 2HD LYS 3 31.331 1.925 4.954 35 HE2 LYS 3 1HE LYS 3 32.978 1.190 6.250 36 HE3 LYS 3 2HE LYS 3 31.968 1.495 7.664 37 HZ1 LYS 3 3HZ LYS 3 32.913 -0.876 7.174 38 HZ2 LYS 3 1HZ LYS 3 31.561 -0.991 6.163 39 HZ3 LYS 3 2HZ LYS 3 31.358 -0.684 7.814 40 H LYS 4 H LYS 4 27.924 5.350 4.825 41 HA LYS 4 HA LYS 4 25.201 5.790 4.191 42 HB2 LYS 4 1HB LYS 4 27.805 6.810 3.314 43 HB3 LYS 4 2HB LYS 4 26.594 6.789 2.039 44 HG2 LYS 4 1HG LYS 4 25.437 8.477 2.940 45 HG3 LYS 4 2HG LYS 4 25.637 7.869 4.585 46 HD2 LYS 4 1HD LYS 4 28.092 8.653 4.316 47 HD3 LYS 4 2HD LYS 4 27.462 9.621 2.979 48 HE2 LYS 4 1HE LYS 4 25.665 10.101 5.011 49 HE3 LYS 4 2HE LYS 4 27.209 10.007 5.856 50 HZ1 LYS 4 3HZ LYS 4 28.088 11.649 4.272 51 HZ2 LYS 4 1HZ LYS 4 26.796 12.258 5.179 52 HZ3 LYS 4 2HZ LYS 4 26.555 11.789 3.572 53 H ASP 5 H ASP 5 23.886 4.726 2.868 54 HA ASP 5 HA ASP 5 24.819 3.470 0.461 55 HB2 ASP 5 1HB ASP 5 24.776 1.903 2.815 56 HB3 ASP 5 2HB ASP 5 23.401 1.389 1.843 57 H LYS 6 H LYS 6 23.187 3.132 -1.003 58 HA LYS 6 HA LYS 6 20.718 4.481 -0.500 59 HB2 LYS 6 1HB LYS 6 22.176 3.547 -2.779 60 HB3 LYS 6 2HB LYS 6 20.529 2.941 -2.878 61 HG2 LYS 6 1HG LYS 6 21.230 5.831 -2.428 62 HG3 LYS 6 2HG LYS 6 20.898 5.123 -4.010 63 HD2 LYS 6 1HD LYS 6 18.853 4.505 -2.025 64 HD3 LYS 6 2HD LYS 6 19.037 6.238 -2.314 65 HE2 LYS 6 1HE LYS 6 18.536 6.022 -4.593 66 HE3 LYS 6 2HE LYS 6 18.815 4.281 -4.580 67 HZ1 LYS 6 3HZ LYS 6 16.702 5.265 -2.837 68 HZ2 LYS 6 1HZ LYS 6 16.759 3.868 -3.789 69 HZ3 LYS 6 2HZ LYS 6 16.400 5.360 -4.499 70 H TRP 7 H TRP 7 21.783 1.179 -0.415 71 HA TRP 7 HA TRP 7 19.383 -0.187 -0.739 72 HB2 TRP 7 2HB TRP 7 21.951 -0.752 0.657 73 HB3 TRP 7 3HB TRP 7 20.575 -1.783 1.041 74 HD1 TRP 7 1HD TRP 7 23.014 -0.967 -1.770 75 HE1 TRP 7 1HE TRP 7 22.780 -2.745 -3.616 76 HE3 TRP 7 3HE TRP 7 18.876 -3.410 -0.025 77 HZ2 TRP 7 2HZ TRP 7 21.067 -4.898 -4.249 78 HZ3 TRP 7 3HZ TRP 7 18.004 -5.319 -1.310 79 HH2 TRP 7 2HH TRP 7 19.078 -6.046 -3.378 80 H ALA 8 H ALA 8 20.519 1.733 1.913 81 HA ALA 8 HA ALA 8 18.991 0.725 4.014 82 HB1 ALA 8 3HB ALA 8 19.408 2.750 5.140 83 HB2 ALA 8 1HB ALA 8 20.809 2.493 4.100 84 HB3 ALA 8 2HB ALA 8 19.563 3.651 3.632 85 H SER 9 H SER 9 18.077 2.676 1.283 86 HA SER 9 HA SER 9 15.528 3.446 2.402 87 HB2 SER 9 1HB SER 9 17.136 4.424 0.353 88 HB3 SER 9 2HB SER 9 15.755 3.718 -0.490 89 HG SER 9 HG SER 9 15.308 5.859 0.055 90 H LEU 10 H LEU 10 16.734 1.121 0.034 91 HA LEU 10 HA LEU 10 14.320 0.194 -0.981 92 HB2 LEU 10 1HB LEU 10 16.752 -0.376 -1.631 93 HB3 LEU 10 2HB LEU 10 16.618 -1.646 -0.417 94 HG LEU 10 HG LEU 10 14.599 -1.462 -2.618 95 HD11 LEU 10 1HD1 LEU 10 16.294 -1.618 -4.092 96 HD12 LEU 10 2HD1 LEU 10 16.305 -3.305 -3.584 97 HD13 LEU 10 3HD1 LEU 10 17.448 -2.164 -2.876 98 HD21 LEU 10 3HD2 LEU 10 14.619 -3.934 -2.267 99 HD22 LEU 10 1HD2 LEU 10 14.102 -3.004 -0.861 100 HD23 LEU 10 2HD2 LEU 10 15.729 -3.680 -0.919 101 H TRP 11 H TRP 11 16.115 -0.899 1.879 102 HA TRP 11 HA TRP 11 14.509 -3.032 2.623 103 HB2 TRP 11 2HB TRP 11 16.031 -1.074 4.354 104 HB3 TRP 11 3HB TRP 11 15.311 -2.565 4.955 105 HD1 TRP 11 1HD TRP 11 18.548 -1.387 4.099 106 HE1 TRP 11 1HE TRP 11 20.108 -3.262 3.280 107 HE3 TRP 11 3HE TRP 11 15.048 -4.976 3.096 108 HZ2 TRP 11 2HZ TRP 11 19.886 -5.911 2.332 109 HZ3 TRP 11 3HZ TRP 11 15.804 -7.153 2.234 110 HH2 TRP 11 2HH TRP 11 18.173 -7.609 1.861 111 H ASN 12 H ASN 12 14.086 0.416 3.237 112 HA ASN 12 HA ASN 12 11.790 0.054 4.917 113 HB2 ASN 12 1HB ASN 12 13.442 2.265 4.012 114 HB3 ASN 12 2HB ASN 12 11.729 2.675 3.960 115 HD21 ASN 12 2HD2 ASN 12 10.498 2.453 5.907 116 HD22 ASN 12 1HD2 ASN 12 11.274 2.608 7.442 117 H TRP 13 H TRP 13 12.362 0.720 1.515 118 HA TRP 13 HA TRP 13 9.780 1.466 0.757 119 HB2 TRP 13 2HB TRP 13 11.873 1.576 -0.654 120 HB3 TRP 13 3HB TRP 13 11.690 -0.154 -0.933 121 HD1 TRP 13 1HD TRP 13 9.969 3.193 -1.730 122 HE1 TRP 13 1HE TRP 13 8.453 2.855 -3.782 123 HE3 TRP 13 3HE TRP 13 10.434 -1.871 -2.259 124 HZ2 TRP 13 2HZ TRP 13 7.571 0.725 -5.410 125 HZ3 TRP 13 3HZ TRP 13 9.222 -2.982 -4.089 126 HH2 TRP 13 2HH TRP 13 7.820 -1.710 -5.630 127 H PHE 14 H PHE 14 11.036 -1.592 1.699 128 HA PHE 14 HA PHE 14 9.433 -3.400 0.374 129 HB2 PHE 14 2HB PHE 14 11.267 -3.986 1.952 130 HB3 PHE 14 3HB PHE 14 10.213 -3.547 3.292 131 HD1 PHE 14 2HD PHE 14 10.296 -5.774 0.306 132 HD2 PHE 14 1HD PHE 14 8.952 -5.186 4.301 133 HE1 PHE 14 2HE PHE 14 9.387 -8.060 0.332 134 HE2 PHE 14 1HE PHE 14 8.042 -7.472 4.334 135 HZ PHE 14 HZ PHE 14 8.258 -8.911 2.348 136 H ASP 15 H ASP 15 8.727 -1.938 3.550 137 HA ASP 15 HA ASP 15 6.149 -2.950 3.834 138 HB2 ASP 15 1HB ASP 15 7.342 -1.911 5.687 139 HB3 ASP 15 2HB ASP 15 7.297 -0.350 4.872 140 H ILE 16 H ILE 16 7.290 -0.049 2.193 141 HA ILE 16 HA ILE 16 4.730 1.059 1.685 142 HB ILE 16 HB ILE 16 7.402 1.486 0.359 143 HG12 ILE 16 1HG1 ILE 16 6.969 3.799 1.456 144 HG13 ILE 16 2HG1 ILE 16 5.759 2.946 2.411 145 HG21 ILE 16 1HG2 ILE 16 6.152 2.162 -1.403 146 HG22 ILE 16 2HG2 ILE 16 4.713 2.432 -0.421 147 HG23 ILE 16 3HG2 ILE 16 6.009 3.629 -0.434 148 HD11 ILE 16 3HD1 ILE 16 8.023 3.210 3.466 149 HD12 ILE 16 1HD1 ILE 16 7.389 1.565 3.409 150 HD13 ILE 16 2HD1 ILE 16 8.627 2.074 2.259 151 H THR 17 H THR 17 6.662 -1.358 0.094 152 HA THR 17 HA THR 17 5.601 -1.355 -2.464 153 HB THR 17 HB THR 17 6.104 -3.978 -1.117 154 HG1 THR 17 1HG THR 17 8.441 -3.331 -1.712 155 HG21 THR 17 3HG2 THR 17 5.708 -4.256 -3.390 156 HG22 THR 17 1HG2 THR 17 7.468 -4.179 -3.319 157 HG23 THR 17 2HG2 THR 17 6.543 -2.763 -3.820 158 H ASN 18 H ASN 18 4.427 -3.135 0.390 159 HA ASN 18 HA ASN 18 2.103 -4.099 -1.001 160 HB2 ASN 18 1HB ASN 18 3.208 -5.371 0.835 161 HB3 ASN 18 2HB ASN 18 2.688 -4.127 1.969 162 HD21 ASN 18 2HD2 ASN 18 1.811 -6.917 0.212 163 HD22 ASN 18 1HD2 ASN 18 0.181 -7.039 0.773 164 H TRP 19 H TRP 19 2.900 -1.384 1.021 165 HA TRP 19 HA TRP 19 0.401 -0.614 1.944 166 HB2 TRP 19 2HB TRP 19 2.518 0.464 2.615 167 HB3 TRP 19 3HB TRP 19 2.645 1.194 1.017 168 HD1 TRP 19 1HD TRP 19 0.008 1.177 3.881 169 HE1 TRP 19 1HE TRP 19 -0.952 3.557 4.074 170 HE3 TRP 19 3HE TRP 19 2.592 3.406 0.074 171 HZ2 TRP 19 2HZ TRP 19 -0.654 6.049 2.783 172 HZ3 TRP 19 3HZ TRP 19 2.196 5.792 -0.381 173 HH2 TRP 19 2HH TRP 19 0.606 7.084 0.946 174 H LEU 20 H LEU 20 1.993 0.305 -1.106 175 HA LEU 20 HA LEU 20 -0.086 1.893 -2.106 176 HB2 LEU 20 1HB LEU 20 2.394 0.802 -3.053 177 HB3 LEU 20 2HB LEU 20 1.156 0.646 -4.298 178 HG LEU 20 HG LEU 20 0.826 3.239 -3.527 179 HD11 LEU 20 1HD1 LEU 20 2.656 3.455 -2.098 180 HD12 LEU 20 2HD1 LEU 20 3.233 4.112 -3.629 181 HD13 LEU 20 3HD1 LEU 20 3.702 2.485 -3.135 182 HD21 LEU 20 3HD2 LEU 20 2.565 2.049 -5.678 183 HD22 LEU 20 1HD2 LEU 20 2.158 3.763 -5.588 184 HD23 LEU 20 2HD2 LEU 20 0.883 2.564 -5.806 185 H TRP 21 H TRP 21 0.332 -1.553 -2.003 186 HA TRP 21 HA TRP 21 -1.727 -2.100 -3.948 187 HB2 TRP 21 2HB TRP 21 0.353 -3.572 -2.715 188 HB3 TRP 21 3HB TRP 21 -1.158 -4.365 -2.278 189 HD1 TRP 21 1HD TRP 21 1.262 -3.986 -5.106 190 HE1 TRP 21 1HE TRP 21 0.412 -5.279 -7.164 191 HE3 TRP 21 3HE TRP 21 -3.492 -4.998 -3.521 192 HZ2 TRP 21 2HZ TRP 21 -1.961 -6.557 -8.003 193 HZ3 TRP 21 3HZ TRP 21 -4.988 -6.261 -5.011 194 HH2 TRP 21 2HH TRP 21 -4.237 -7.022 -7.206 195 H TYR 22 H TYR 22 -1.477 -1.786 -0.484 196 HA TYR 22 HA TYR 22 -4.033 -2.970 0.070 197 HB2 TYR 22 2HB TYR 22 -2.318 -3.047 1.775 198 HB3 TYR 22 3HB TYR 22 -2.181 -1.294 1.773 199 HD1 TYR 22 2HD TYR 22 -4.358 -4.127 2.699 200 HD2 TYR 22 1HD TYR 22 -3.688 0.062 3.027 201 HE1 TYR 22 2HE TYR 22 -6.057 -4.000 4.473 202 HE2 TYR 22 1HE TYR 22 -5.384 0.200 4.802 203 HH TYR 22 HH TYR 22 -6.651 -2.546 6.352 204 H ILE 23 H ILE 23 -2.765 0.304 -0.280 205 HA ILE 23 HA ILE 23 -5.079 1.687 0.532 206 HB ILE 23 HB ILE 23 -4.151 3.625 -0.624 207 HG12 ILE 23 1HG1 ILE 23 -2.036 1.741 -1.683 208 HG13 ILE 23 2HG1 ILE 23 -3.369 2.376 -2.641 209 HG21 ILE 23 1HG2 ILE 23 -2.999 2.242 1.471 210 HG22 ILE 23 2HG2 ILE 23 -1.637 2.618 0.416 211 HG23 ILE 23 3HG2 ILE 23 -2.671 3.914 1.018 212 HD11 ILE 23 3HD1 ILE 23 -1.200 3.555 -2.948 213 HD12 ILE 23 1HD1 ILE 23 -2.538 4.595 -2.460 214 HD13 ILE 23 2HD1 ILE 23 -1.325 4.104 -1.277 215 H LYS 24 H LYS 24 -4.240 0.087 -2.425 216 HA LYS 24 HA LYS 24 -6.165 1.407 -4.076 217 HB2 LYS 24 1HB LYS 24 -4.503 -1.081 -4.370 218 HB3 LYS 24 2HB LYS 24 -5.737 -0.672 -5.555 219 HG2 LYS 24 1HG LYS 24 -4.623 1.455 -5.990 220 HG3 LYS 24 2HG LYS 24 -3.388 1.053 -4.794 221 HD2 LYS 24 1HD LYS 24 -2.919 -1.018 -6.173 222 HD3 LYS 24 2HD LYS 24 -3.939 -0.304 -7.424 223 HE2 LYS 24 1HE LYS 24 -2.414 1.759 -7.176 224 HE3 LYS 24 2HE LYS 24 -1.308 0.659 -6.352 225 HZ1 LYS 24 3HZ LYS 24 -1.021 0.983 -8.847 226 HZ2 LYS 24 1HZ LYS 24 -2.402 0.021 -9.021 227 HZ3 LYS 24 2HZ LYS 24 -1.024 -0.607 -8.266 228 H LEU 25 H LEU 25 -6.028 -1.907 -2.754 229 HA LEU 25 HA LEU 25 -8.663 -2.590 -3.463 230 HB2 LEU 25 1HB LEU 25 -8.392 -4.389 -1.737 231 HB3 LEU 25 2HB LEU 25 -7.149 -4.337 -2.985 232 HG LEU 25 HG LEU 25 -5.969 -2.858 -1.051 233 HD11 LEU 25 1HD1 LEU 25 -6.432 -4.611 0.947 234 HD12 LEU 25 2HD1 LEU 25 -8.042 -4.498 0.239 235 HD13 LEU 25 3HD1 LEU 25 -7.225 -3.042 0.805 236 HD21 LEU 25 3HD2 LEU 25 -5.864 -5.867 -1.134 237 HD22 LEU 25 1HD2 LEU 25 -4.584 -4.753 -0.655 238 HD23 LEU 25 2HD2 LEU 25 -5.102 -4.828 -2.339 239 H PHE 26 H PHE 26 -7.302 -1.157 -0.542 240 HA PHE 26 HA PHE 26 -9.450 -1.340 1.179 241 HB2 PHE 26 2HB PHE 26 -7.295 -0.466 1.894 242 HB3 PHE 26 3HB PHE 26 -7.494 0.944 0.858 243 HD1 PHE 26 1HD PHE 26 -9.434 -0.818 3.520 244 HD2 PHE 26 2HD PHE 26 -8.069 2.885 1.922 245 HE1 PHE 26 1HE PHE 26 -10.524 0.381 5.372 246 HE2 PHE 26 2HE PHE 26 -9.157 4.088 3.772 247 HZ PHE 26 HZ PHE 26 -10.386 2.837 5.500 248 H ILE 27 H ILE 27 -8.711 1.508 -0.843 249 HA ILE 27 HA ILE 27 -11.104 2.856 -0.408 250 HB ILE 27 HB ILE 27 -9.388 2.926 -2.893 251 HG12 ILE 27 1HG1 ILE 27 -8.156 3.445 -0.815 252 HG13 ILE 27 2HG1 ILE 27 -8.308 4.855 -1.858 253 HG21 ILE 27 1HG2 ILE 27 -10.573 5.416 -2.453 254 HG22 ILE 27 2HG2 ILE 27 -10.952 4.262 -3.731 255 HG23 ILE 27 3HG2 ILE 27 -11.861 4.234 -2.221 256 HD11 ILE 27 3HD1 ILE 27 -10.521 4.823 -0.087 257 HD12 ILE 27 1HD1 ILE 27 -9.050 4.576 0.852 258 HD13 ILE 27 2HD1 ILE 27 -9.204 5.989 -0.191 259 H MET 28 H MET 28 -10.309 0.326 -2.710 260 HA MET 28 HA MET 28 -12.589 0.546 -4.346 261 HB2 MET 28 1HB MET 28 -10.494 -0.775 -4.839 262 HB3 MET 28 2HB MET 28 -11.087 -1.999 -3.725 263 HG2 MET 28 1HG MET 28 -13.234 -1.791 -5.291 264 HG3 MET 28 2HG MET 28 -11.996 -1.304 -6.447 265 HE1 MET 28 3HE MET 28 -12.220 -4.765 -3.791 266 HE2 MET 28 1HE MET 28 -13.534 -3.672 -4.225 267 HE3 MET 28 2HE MET 28 -13.343 -5.202 -5.080 268 H ILE 29 H ILE 29 -11.998 -1.155 -1.324 269 HA ILE 29 HA ILE 29 -14.547 -2.498 -1.357 270 HB ILE 29 HB ILE 29 -12.558 -2.175 0.894 271 HG12 ILE 29 1HG1 ILE 29 -13.041 -4.658 -0.735 272 HG13 ILE 29 2HG1 ILE 29 -11.889 -3.435 -1.262 273 HG21 ILE 29 1HG2 ILE 29 -14.578 -2.686 1.938 274 HG22 ILE 29 2HG2 ILE 29 -15.092 -3.750 0.631 275 HG23 ILE 29 3HG2 ILE 29 -13.809 -4.259 1.728 276 HD11 ILE 29 3HD1 ILE 29 -11.800 -4.967 1.327 277 HD12 ILE 29 1HD1 ILE 29 -10.769 -5.220 -0.081 278 HD13 ILE 29 2HD1 ILE 29 -10.658 -3.717 0.835 279 H VAL 30 H VAL 30 -13.167 0.372 0.142 280 HA VAL 30 HA VAL 30 -15.242 0.932 1.950 281 HB VAL 30 HB VAL 30 -13.503 2.954 0.533 282 HG11 VAL 30 1HG1 VAL 30 -15.164 3.028 3.033 283 HG12 VAL 30 2HG1 VAL 30 -13.838 4.160 2.757 284 HG13 VAL 30 3HG1 VAL 30 -15.208 4.116 1.647 285 HG21 VAL 30 3HG2 VAL 30 -11.756 2.070 1.584 286 HG22 VAL 30 1HG2 VAL 30 -12.539 2.426 3.124 287 HG23 VAL 30 2HG2 VAL 30 -12.786 0.861 2.349 288 H GLY 31 H GLY 31 -14.737 1.965 -1.412 289 HA2 GLY 31 1HA GLY 31 -16.899 3.702 -1.656 290 HA3 GLY 31 2HA GLY 31 -16.207 2.772 -2.978 291 H LYS 32 H LYS 32 -16.817 0.190 -1.818 292 HA LYS 32 HA LYS 32 -19.408 -0.174 -2.884 293 HB2 LYS 32 1HB LYS 32 -17.775 -2.011 -1.123 294 HB3 LYS 32 2HB LYS 32 -19.206 -2.483 -2.031 295 HG2 LYS 32 1HG LYS 32 -17.032 -1.222 -3.578 296 HG3 LYS 32 2HG LYS 32 -16.710 -2.830 -2.924 297 HD2 LYS 32 1HD LYS 32 -18.448 -3.802 -4.136 298 HD3 LYS 32 2HD LYS 32 -19.252 -2.254 -4.406 299 HE2 LYS 32 1HE LYS 32 -18.282 -2.236 -6.412 300 HE3 LYS 32 2HE LYS 32 -16.762 -1.933 -5.574 301 HZ1 LYS 32 3HZ LYS 32 -16.084 -3.819 -6.512 302 HZ2 LYS 32 1HZ LYS 32 -17.651 -4.290 -6.941 303 HZ3 LYS 32 2HZ LYS 32 -17.062 -4.624 -5.390 304 H LYS 33 H LYS 33 -18.244 -0.477 0.475 305 HA LYS 33 HA LYS 33 -20.693 -0.899 1.700 306 HB2 LYS 33 1HB LYS 33 -18.340 0.639 2.817 307 HB3 LYS 33 2HB LYS 33 -19.641 -0.080 3.757 308 HG2 LYS 33 1HG LYS 33 -17.842 -1.701 1.980 309 HG3 LYS 33 2HG LYS 33 -17.466 -1.359 3.670 310 HD2 LYS 33 1HD LYS 33 -20.157 -2.272 3.515 311 HD3 LYS 33 2HD LYS 33 -19.137 -3.391 2.608 312 HE2 LYS 33 1HE LYS 33 -17.813 -3.874 4.479 313 HE3 LYS 33 2HE LYS 33 -18.381 -2.456 5.358 314 HZ1 LYS 33 3HZ LYS 33 -19.433 -4.343 6.292 315 HZ2 LYS 33 1HZ LYS 33 -19.895 -4.937 4.777 316 HZ3 LYS 33 2HZ LYS 33 -20.614 -3.535 5.391 317 H LYS 34 H LYS 34 -19.127 2.141 0.817 318 HA LYS 34 HA LYS 34 -20.865 3.913 2.088 319 HB2 LYS 34 1HB LYS 34 -18.667 4.141 0.442 320 HB3 LYS 34 2HB LYS 34 -19.957 4.815 -0.546 321 HG2 LYS 34 1HG LYS 34 -20.332 6.567 0.895 322 HG3 LYS 34 2HG LYS 34 -19.664 5.707 2.284 323 HD2 LYS 34 1HD LYS 34 -17.461 5.826 0.792 324 HD3 LYS 34 2HD LYS 34 -18.288 7.252 0.156 325 HE2 LYS 34 1HE LYS 34 -16.926 7.995 1.950 326 HE3 LYS 34 2HE LYS 34 -18.588 8.004 2.539 327 HZ1 LYS 34 3HZ LYS 34 -16.364 6.621 3.571 328 HZ2 LYS 34 1HZ LYS 34 -17.531 5.494 3.093 329 HZ3 LYS 34 2HZ LYS 34 -17.934 6.711 4.194 330 H LYS 35 H LYS 35 -21.263 2.027 -0.800 331 HA LYS 35 HA LYS 35 -22.995 1.750 -2.251 332 HB2 LYS 35 1HB LYS 35 -24.371 2.637 0.261 333 HB3 LYS 35 2HB LYS 35 -25.304 2.387 -1.208 334 HG2 LYS 35 1HG LYS 35 -23.463 0.249 -0.236 335 HG3 LYS 35 2HG LYS 35 -25.051 0.460 0.506 336 HD2 LYS 35 1HD LYS 35 -25.769 0.511 -2.073 337 HD3 LYS 35 2HD LYS 35 -24.324 -0.494 -2.202 338 HE2 LYS 35 1HE LYS 35 -25.990 -1.274 0.037 339 HE3 LYS 35 2HE LYS 35 -26.876 -1.326 -1.486 340 HZ1 LYS 35 3HZ LYS 35 -25.568 -2.976 -2.299 341 HZ2 LYS 35 1HZ LYS 35 -25.443 -3.348 -0.653 342 HZ3 LYS 35 2HZ LYS 35 -24.199 -2.501 -1.426 343 H LYS 36 H LYS 36 -21.865 3.586 -3.394 344 HA LYS 36 HA LYS 36 -21.959 5.478 -4.652 345 HB2 LYS 36 1HB LYS 36 -24.124 4.399 -5.324 346 HB3 LYS 36 2HB LYS 36 -24.930 5.384 -4.111 347 HG2 LYS 36 1HG LYS 36 -24.353 7.397 -5.266 348 HG3 LYS 36 2HG LYS 36 -23.332 6.509 -6.398 349 HD2 LYS 36 1HD LYS 36 -25.190 5.480 -7.424 350 HD3 LYS 36 2HD LYS 36 -26.273 5.953 -6.113 351 HE2 LYS 36 1HE LYS 36 -26.803 7.459 -7.798 352 HE3 LYS 36 2HE LYS 36 -25.673 8.368 -6.796 353 HZ1 LYS 36 3HZ LYS 36 -24.427 8.659 -8.585 354 HZ2 LYS 36 1HZ LYS 36 -25.461 7.701 -9.521 355 HZ3 LYS 36 2HZ LYS 36 -24.173 6.990 -8.688 Start of MODEL 14 1 H1 LYS 1 H LYS 1 31.537 10.202 11.790 2 HA LYS 1 HA LYS 1 29.656 10.706 13.037 3 HB2 LYS 1 1HB LYS 1 29.625 12.931 11.085 4 HB3 LYS 1 2HB LYS 1 28.065 12.482 11.762 5 HG2 LYS 1 1HG LYS 1 30.479 13.101 13.443 6 HG3 LYS 1 2HG LYS 1 29.280 14.307 12.970 7 HD2 LYS 1 1HD LYS 1 27.757 12.226 13.967 8 HD3 LYS 1 2HD LYS 1 29.159 12.267 15.040 9 HE2 LYS 1 1HE LYS 1 27.510 14.688 14.328 10 HE3 LYS 1 2HE LYS 1 27.233 13.699 15.761 11 HZ1 LYS 1 3HZ LYS 1 29.093 15.775 15.399 12 HZ2 LYS 1 1HZ LYS 1 29.940 14.342 15.703 13 HZ3 LYS 1 2HZ LYS 1 28.770 14.880 16.798 14 H LYS 2 H LYS 2 28.479 8.907 12.903 15 HA LYS 2 HA LYS 2 26.943 7.384 12.205 16 HB2 LYS 2 1HB LYS 2 26.047 9.452 10.197 17 HB3 LYS 2 2HB LYS 2 25.103 8.126 10.864 18 HG2 LYS 2 1HG LYS 2 26.117 10.509 12.403 19 HG3 LYS 2 2HG LYS 2 24.463 10.268 11.834 20 HD2 LYS 2 1HD LYS 2 24.527 8.085 13.181 21 HD3 LYS 2 2HD LYS 2 25.962 8.760 13.956 22 HE2 LYS 2 1HE LYS 2 24.748 10.571 14.852 23 HE3 LYS 2 2HE LYS 2 23.364 10.263 13.804 24 HZ1 LYS 2 3HZ LYS 2 24.152 8.932 16.281 25 HZ2 LYS 2 1HZ LYS 2 23.421 7.978 15.089 26 HZ3 LYS 2 2HZ LYS 2 22.610 9.326 15.708 27 H LYS 3 H LYS 3 26.301 6.010 10.342 28 HA LYS 3 HA LYS 3 28.310 6.089 8.189 29 HB2 LYS 3 1HB LYS 3 27.527 3.871 10.007 30 HB3 LYS 3 2HB LYS 3 27.842 3.456 8.327 31 HG2 LYS 3 1HG LYS 3 29.898 3.148 9.328 32 HG3 LYS 3 2HG LYS 3 30.038 4.773 8.654 33 HD2 LYS 3 1HD LYS 3 29.856 5.788 10.734 34 HD3 LYS 3 2HD LYS 3 29.080 4.379 11.463 35 HE2 LYS 3 1HE LYS 3 31.737 3.786 10.450 36 HE3 LYS 3 2HE LYS 3 31.752 5.072 11.655 37 HZ1 LYS 3 3HZ LYS 3 31.719 3.426 13.135 38 HZ2 LYS 3 1HZ LYS 3 31.274 2.263 11.989 39 HZ3 LYS 3 2HZ LYS 3 30.089 3.217 12.731 40 H LYS 4 H LYS 4 25.478 4.053 8.904 41 HA LYS 4 HA LYS 4 23.647 3.507 7.670 42 HB2 LYS 4 1HB LYS 4 24.063 6.298 6.582 43 HB3 LYS 4 2HB LYS 4 22.619 5.327 6.324 44 HG2 LYS 4 1HG LYS 4 22.983 5.326 9.080 45 HG3 LYS 4 2HG LYS 4 23.353 6.975 8.572 46 HD2 LYS 4 1HD LYS 4 21.203 6.995 7.310 47 HD3 LYS 4 2HD LYS 4 20.831 5.419 8.010 48 HE2 LYS 4 1HE LYS 4 19.729 7.089 9.318 49 HE3 LYS 4 2HE LYS 4 21.066 6.447 10.270 50 HZ1 LYS 4 3HZ LYS 4 22.386 8.383 9.599 51 HZ2 LYS 4 1HZ LYS 4 20.995 8.832 10.450 52 HZ3 LYS 4 2HZ LYS 4 21.052 9.009 8.769 53 H ASP 5 H ASP 5 22.800 3.667 5.200 54 HA ASP 5 HA ASP 5 24.961 3.411 3.291 55 HB2 ASP 5 1HB ASP 5 23.261 1.049 4.104 56 HB3 ASP 5 2HB ASP 5 24.200 1.101 2.614 57 H LYS 6 H LYS 6 23.968 2.622 1.103 58 HA LYS 6 HA LYS 6 21.787 4.424 0.535 59 HB2 LYS 6 1HB LYS 6 23.940 3.323 -0.917 60 HB3 LYS 6 2HB LYS 6 22.476 2.732 -1.690 61 HG2 LYS 6 1HG LYS 6 23.069 4.739 -2.786 62 HG3 LYS 6 2HG LYS 6 21.675 5.109 -1.770 63 HD2 LYS 6 1HD LYS 6 23.141 6.896 -1.409 64 HD3 LYS 6 2HD LYS 6 23.391 5.845 -0.013 65 HE2 LYS 6 1HE LYS 6 25.414 4.991 -0.916 66 HE3 LYS 6 2HE LYS 6 25.102 5.728 -2.487 67 HZ1 LYS 6 3HZ LYS 6 25.066 7.801 -0.680 68 HZ2 LYS 6 1HZ LYS 6 26.295 7.442 -1.787 69 HZ3 LYS 6 2HZ LYS 6 26.378 6.842 -0.208 70 H TRP 7 H TRP 7 22.339 0.920 0.308 71 HA TRP 7 HA TRP 7 19.778 0.251 -0.643 72 HB2 TRP 7 2HB TRP 7 20.318 -2.042 0.208 73 HB3 TRP 7 3HB TRP 7 21.570 -1.344 -0.816 74 HD1 TRP 7 1HD TRP 7 23.925 -0.861 0.279 75 HE1 TRP 7 1HE TRP 7 24.983 -1.529 2.529 76 HE3 TRP 7 3HE TRP 7 19.719 -2.447 2.715 77 HZ2 TRP 7 2HZ TRP 7 24.145 -2.589 5.007 78 HZ3 TRP 7 3HZ TRP 7 19.933 -3.273 5.022 79 HH2 TRP 7 2HH TRP 7 22.101 -3.342 6.142 80 H ALA 8 H ALA 8 20.946 1.036 2.522 81 HA ALA 8 HA ALA 8 19.107 -0.192 4.179 82 HB1 ALA 8 3HB ALA 8 20.907 0.962 5.178 83 HB2 ALA 8 1HB ALA 8 20.468 2.481 4.397 84 HB3 ALA 8 2HB ALA 8 19.450 1.821 5.677 85 H SER 9 H SER 9 18.814 2.981 2.586 86 HA SER 9 HA SER 9 16.265 3.613 3.561 87 HB2 SER 9 1HB SER 9 18.122 4.701 1.657 88 HB3 SER 9 2HB SER 9 16.498 4.731 0.971 89 HG SER 9 HG SER 9 17.283 6.557 2.407 90 H LEU 10 H LEU 10 17.281 1.841 0.681 91 HA LEU 10 HA LEU 10 14.847 1.620 -0.629 92 HB2 LEU 10 1HB LEU 10 17.334 0.710 -1.095 93 HB3 LEU 10 2HB LEU 10 16.553 -0.790 -0.600 94 HG LEU 10 HG LEU 10 15.451 0.949 -2.793 95 HD11 LEU 10 1HD1 LEU 10 17.595 0.431 -3.599 96 HD12 LEU 10 2HD1 LEU 10 16.531 -0.783 -4.308 97 HD13 LEU 10 3HD1 LEU 10 17.546 -1.199 -2.927 98 HD21 LEU 10 3HD2 LEU 10 15.048 -1.919 -1.963 99 HD22 LEU 10 1HD2 LEU 10 14.445 -1.235 -3.473 100 HD23 LEU 10 2HD2 LEU 10 13.865 -0.610 -1.929 101 H TRP 11 H TRP 11 16.065 -0.115 2.156 102 HA TRP 11 HA TRP 11 14.334 -2.279 2.236 103 HB2 TRP 11 2HB TRP 11 16.296 -1.765 3.782 104 HB3 TRP 11 3HB TRP 11 15.186 -0.740 4.687 105 HD1 TRP 11 1HD TRP 11 15.875 -4.423 3.880 106 HE1 TRP 11 1HE TRP 11 14.623 -5.884 5.590 107 HE3 TRP 11 3HE TRP 11 13.190 -0.776 6.252 108 HZ2 TRP 11 2HZ TRP 11 12.747 -5.536 7.669 109 HZ3 TRP 11 3HZ TRP 11 11.689 -1.424 8.091 110 HH2 TRP 11 2HH TRP 11 11.473 -3.756 8.783 111 H ASN 12 H ASN 12 13.819 1.047 3.302 112 HA ASN 12 HA ASN 12 11.381 0.694 4.623 113 HB2 ASN 12 1HB ASN 12 12.939 2.790 4.405 114 HB3 ASN 12 2HB ASN 12 11.920 3.168 3.019 115 HD21 ASN 12 2HD2 ASN 12 12.249 4.542 5.586 116 HD22 ASN 12 1HD2 ASN 12 10.667 4.642 6.271 117 H TRP 13 H TRP 13 12.135 1.020 1.215 118 HA TRP 13 HA TRP 13 9.581 1.554 0.219 119 HB2 TRP 13 2HB TRP 13 11.759 1.598 -1.065 120 HB3 TRP 13 3HB TRP 13 11.660 -0.159 -1.150 121 HD1 TRP 13 1HD TRP 13 9.867 2.992 -2.436 122 HE1 TRP 13 1HE TRP 13 8.504 2.353 -4.524 123 HE3 TRP 13 3HE TRP 13 10.562 -2.072 -2.341 124 HZ2 TRP 13 2HZ TRP 13 7.814 0.012 -5.942 125 HZ3 TRP 13 3HZ TRP 13 9.517 -3.439 -4.098 126 HH2 TRP 13 2HH TRP 13 8.171 -2.417 -5.860 127 H PHE 14 H PHE 14 10.892 -1.315 1.587 128 HA PHE 14 HA PHE 14 9.449 -3.334 0.388 129 HB2 PHE 14 2HB PHE 14 11.212 -3.538 2.207 130 HB3 PHE 14 3HB PHE 14 9.930 -3.189 3.363 131 HD1 PHE 14 2HD PHE 14 8.099 -4.780 3.704 132 HD2 PHE 14 1HD PHE 14 11.373 -5.660 1.129 133 HE1 PHE 14 2HE PHE 14 7.486 -7.163 3.743 134 HE2 PHE 14 1HE PHE 14 10.764 -8.043 1.165 135 HZ PHE 14 HZ PHE 14 8.819 -8.799 2.474 136 H ASP 15 H ASP 15 8.481 -1.552 3.322 137 HA ASP 15 HA ASP 15 5.930 -2.642 3.565 138 HB2 ASP 15 1HB ASP 15 6.988 -1.329 5.341 139 HB3 ASP 15 2HB ASP 15 6.872 0.124 4.351 140 H ILE 16 H ILE 16 7.064 0.102 1.669 141 HA ILE 16 HA ILE 16 4.502 1.024 0.879 142 HB ILE 16 HB ILE 16 7.237 1.419 -0.324 143 HG12 ILE 16 1HG1 ILE 16 6.643 3.820 0.468 144 HG13 ILE 16 2HG1 ILE 16 5.407 3.027 1.440 145 HG21 ILE 16 1HG2 ILE 16 6.080 1.832 -2.225 146 HG22 ILE 16 2HG2 ILE 16 4.571 2.145 -1.370 147 HG23 ILE 16 3HG2 ILE 16 5.817 3.391 -1.444 148 HD11 ILE 16 3HD1 ILE 16 7.585 3.514 2.592 149 HD12 ILE 16 1HD1 ILE 16 7.021 1.846 2.689 150 HD13 ILE 16 2HD1 ILE 16 8.310 2.277 1.567 151 H THR 17 H THR 17 6.627 -1.467 -0.297 152 HA THR 17 HA THR 17 5.736 -1.807 -2.897 153 HB THR 17 HB THR 17 6.251 -4.232 -1.225 154 HG1 THR 17 1HG THR 17 8.588 -3.592 -1.689 155 HG21 THR 17 3HG2 THR 17 6.016 -4.785 -3.469 156 HG22 THR 17 1HG2 THR 17 7.764 -4.620 -3.301 157 HG23 THR 17 2HG2 THR 17 6.821 -3.315 -4.020 158 H ASN 18 H ASN 18 4.439 -3.278 0.073 159 HA ASN 18 HA ASN 18 2.222 -4.447 -1.367 160 HB2 ASN 18 1HB ASN 18 3.528 -4.995 1.050 161 HB3 ASN 18 2HB ASN 18 1.917 -4.454 1.514 162 HD21 ASN 18 2HD2 ASN 18 3.509 -6.590 -0.825 163 HD22 ASN 18 1HD2 ASN 18 2.331 -7.850 -0.733 164 H TRP 19 H TRP 19 2.877 -1.587 0.476 165 HA TRP 19 HA TRP 19 0.361 -0.835 1.342 166 HB2 TRP 19 2HB TRP 19 2.431 0.391 1.884 167 HB3 TRP 19 3HB TRP 19 2.516 0.972 0.223 168 HD1 TRP 19 1HD TRP 19 -0.179 1.081 3.034 169 HE1 TRP 19 1HE TRP 19 -1.205 3.442 3.040 170 HE3 TRP 19 3HE TRP 19 2.474 3.130 -0.827 171 HZ2 TRP 19 2HZ TRP 19 -0.927 5.852 1.599 172 HZ3 TRP 19 3HZ TRP 19 2.034 5.469 -1.450 173 HH2 TRP 19 2HH TRP 19 0.367 6.801 -0.261 174 H LEU 20 H LEU 20 1.848 -0.304 -1.836 175 HA LEU 20 HA LEU 20 -0.214 1.205 -2.973 176 HB2 LEU 20 1HB LEU 20 2.120 -0.271 -3.903 177 HB3 LEU 20 2HB LEU 20 0.799 -0.269 -5.070 178 HG LEU 20 HG LEU 20 1.163 2.391 -4.115 179 HD11 LEU 20 1HD1 LEU 20 3.674 0.921 -4.823 180 HD12 LEU 20 2HD1 LEU 20 3.380 2.047 -3.499 181 HD13 LEU 20 3HD1 LEU 20 3.499 2.644 -5.154 182 HD21 LEU 20 3HD2 LEU 20 1.377 0.919 -6.703 183 HD22 LEU 20 1HD2 LEU 20 1.901 2.601 -6.607 184 HD23 LEU 20 2HD2 LEU 20 0.236 2.173 -6.212 185 H TRP 21 H TRP 21 0.062 -2.202 -2.373 186 HA TRP 21 HA TRP 21 -2.103 -2.929 -4.135 187 HB2 TRP 21 2HB TRP 21 -0.016 -4.306 -2.866 188 HB3 TRP 21 3HB TRP 21 -1.493 -4.922 -2.128 189 HD1 TRP 21 1HD TRP 21 0.287 -4.706 -5.524 190 HE1 TRP 21 1HE TRP 21 -0.729 -6.478 -7.090 191 HE3 TRP 21 3HE TRP 21 -3.561 -6.298 -2.559 192 HZ2 TRP 21 2HZ TRP 21 -2.877 -8.308 -7.071 193 HZ3 TRP 21 3HZ TRP 21 -5.051 -8.062 -3.407 194 HH2 TRP 21 2HH TRP 21 -4.716 -9.045 -5.617 195 H TYR 22 H TYR 22 -1.686 -2.088 -0.784 196 HA TYR 22 HA TYR 22 -4.247 -3.079 0.061 197 HB2 TYR 22 2HB TYR 22 -2.249 -2.819 1.569 198 HB3 TYR 22 3HB TYR 22 -2.480 -1.076 1.475 199 HD1 TYR 22 2HD TYR 22 -4.492 -0.039 2.472 200 HD2 TYR 22 1HD TYR 22 -3.656 -4.185 2.940 201 HE1 TYR 22 2HE TYR 22 -6.093 -0.145 4.337 202 HE2 TYR 22 1HE TYR 22 -5.255 -4.302 4.805 203 HH TYR 22 HH TYR 22 -7.503 -1.910 5.453 204 H ILE 23 H ILE 23 -2.904 0.047 -0.873 205 HA ILE 23 HA ILE 23 -5.127 1.631 -0.193 206 HB ILE 23 HB ILE 23 -4.210 3.311 -1.717 207 HG12 ILE 23 1HG1 ILE 23 -2.175 1.215 -2.502 208 HG13 ILE 23 2HG1 ILE 23 -3.549 1.675 -3.501 209 HG21 ILE 23 1HG2 ILE 23 -3.075 2.392 0.568 210 HG22 ILE 23 2HG2 ILE 23 -1.715 2.298 -0.549 211 HG23 ILE 23 3HG2 ILE 23 -2.546 3.833 -0.299 212 HD11 ILE 23 3HD1 ILE 23 -1.690 3.796 -2.566 213 HD12 ILE 23 1HD1 ILE 23 -1.186 2.730 -3.877 214 HD13 ILE 23 2HD1 ILE 23 -2.649 3.702 -4.042 215 H LYS 24 H LYS 24 -4.516 -0.481 -2.865 216 HA LYS 24 HA LYS 24 -6.465 0.623 -4.636 217 HB2 LYS 24 1HB LYS 24 -4.950 -1.972 -4.542 218 HB3 LYS 24 2HB LYS 24 -6.224 -1.710 -5.726 219 HG2 LYS 24 1HG LYS 24 -5.034 0.203 -6.622 220 HG3 LYS 24 2HG LYS 24 -3.777 0.015 -5.397 221 HD2 LYS 24 1HD LYS 24 -3.100 -2.086 -6.315 222 HD3 LYS 24 2HD LYS 24 -4.487 -2.118 -7.405 223 HE2 LYS 24 1HE LYS 24 -3.217 0.291 -7.960 224 HE3 LYS 24 2HE LYS 24 -1.900 -0.858 -7.733 225 HZ1 LYS 24 3HZ LYS 24 -3.909 -0.733 -9.826 226 HZ2 LYS 24 1HZ LYS 24 -3.526 -2.284 -9.270 227 HZ3 LYS 24 2HZ LYS 24 -2.311 -1.284 -9.889 228 H LEU 25 H LEU 25 -6.424 -2.382 -2.710 229 HA LEU 25 HA LEU 25 -9.151 -2.982 -3.164 230 HB2 LEU 25 1HB LEU 25 -8.854 -4.537 -1.217 231 HB3 LEU 25 2HB LEU 25 -7.724 -4.760 -2.552 232 HG LEU 25 HG LEU 25 -6.341 -3.076 -0.885 233 HD11 LEU 25 1HD1 LEU 25 -7.786 -5.079 0.843 234 HD12 LEU 25 2HD1 LEU 25 -8.074 -3.340 0.845 235 HD13 LEU 25 3HD1 LEU 25 -6.508 -3.974 1.350 236 HD21 LEU 25 3HD2 LEU 25 -4.918 -4.928 -0.511 237 HD22 LEU 25 1HD2 LEU 25 -5.632 -5.169 -2.105 238 HD23 LEU 25 2HD2 LEU 25 -6.238 -6.079 -0.721 239 H PHE 26 H PHE 26 -7.458 -1.233 -0.619 240 HA PHE 26 HA PHE 26 -9.447 -1.017 1.283 241 HB2 PHE 26 2HB PHE 26 -7.205 -0.191 1.696 242 HB3 PHE 26 3HB PHE 26 -7.392 1.040 0.452 243 HD1 PHE 26 2HD PHE 26 -8.570 -0.043 3.780 244 HD2 PHE 26 1HD PHE 26 -8.404 3.111 0.926 245 HE1 PHE 26 2HE PHE 26 -9.426 1.527 5.470 246 HE2 PHE 26 1HE PHE 26 -9.258 4.686 2.612 247 HZ PHE 26 HZ PHE 26 -9.771 3.895 4.887 248 H ILE 27 H ILE 27 -8.752 1.414 -1.236 249 HA ILE 27 HA ILE 27 -11.033 2.968 -0.808 250 HB ILE 27 HB ILE 27 -9.518 2.590 -3.394 251 HG12 ILE 27 1HG1 ILE 27 -8.100 3.319 -1.505 252 HG13 ILE 27 2HG1 ILE 27 -8.265 4.574 -2.728 253 HG21 ILE 27 1HG2 ILE 27 -11.557 3.621 -3.948 254 HG22 ILE 27 2HG2 ILE 27 -11.535 4.629 -2.503 255 HG23 ILE 27 3HG2 ILE 27 -10.395 4.941 -3.813 256 HD11 ILE 27 3HD1 ILE 27 -8.399 5.487 -0.480 257 HD12 ILE 27 1HD1 ILE 27 -9.917 5.709 -1.350 258 HD13 ILE 27 2HD1 ILE 27 -9.776 4.443 -0.130 259 H MET 28 H MET 28 -10.578 0.026 -2.629 260 HA MET 28 HA MET 28 -12.969 0.171 -4.153 261 HB2 MET 28 1HB MET 28 -11.011 -1.302 -4.671 262 HB3 MET 28 2HB MET 28 -11.470 -2.313 -3.308 263 HG2 MET 28 1HG MET 28 -13.777 -2.011 -4.876 264 HG3 MET 28 2HG MET 28 -12.452 -2.329 -5.991 265 HE1 MET 28 3HE MET 28 -15.069 -3.812 -3.760 266 HE2 MET 28 1HE MET 28 -14.309 -5.187 -2.959 267 HE3 MET 28 2HE MET 28 -13.871 -3.544 -2.493 268 H ILE 29 H ILE 29 -12.165 -1.178 -0.997 269 HA ILE 29 HA ILE 29 -14.752 -2.371 -0.619 270 HB ILE 29 HB ILE 29 -12.564 -1.827 1.390 271 HG12 ILE 29 1HG1 ILE 29 -13.270 -4.490 0.178 272 HG13 ILE 29 2HG1 ILE 29 -12.131 -3.405 -0.612 273 HG21 ILE 29 1HG2 ILE 29 -14.438 -2.118 2.705 274 HG22 ILE 29 2HG2 ILE 29 -15.190 -3.236 1.568 275 HG23 ILE 29 3HG2 ILE 29 -13.835 -3.770 2.562 276 HD11 ILE 29 3HD1 ILE 29 -11.324 -5.284 1.029 277 HD12 ILE 29 1HD1 ILE 29 -10.528 -3.711 0.975 278 HD13 ILE 29 2HD1 ILE 29 -11.695 -4.065 2.248 279 H VAL 30 H VAL 30 -13.164 0.624 0.306 280 HA VAL 30 HA VAL 30 -15.013 1.531 2.206 281 HB VAL 30 HB VAL 30 -13.362 3.192 0.296 282 HG11 VAL 30 1HG1 VAL 30 -15.085 3.850 2.617 283 HG12 VAL 30 2HG1 VAL 30 -13.561 4.725 2.461 284 HG13 VAL 30 3HG1 VAL 30 -14.746 4.778 1.156 285 HG21 VAL 30 3HG2 VAL 30 -12.584 1.487 2.435 286 HG22 VAL 30 1HG2 VAL 30 -11.577 2.541 1.443 287 HG23 VAL 30 2HG2 VAL 30 -12.305 3.156 2.927 288 H GLY 31 H GLY 31 -14.864 2.093 -1.306 289 HA2 GLY 31 1HA GLY 31 -17.064 3.785 -1.539 290 HA3 GLY 31 2HA GLY 31 -16.486 2.712 -2.805 291 H LYS 32 H LYS 32 -16.986 0.240 -1.893 292 HA LYS 32 HA LYS 32 -19.675 -0.166 -2.420 293 HB2 LYS 32 1HB LYS 32 -17.650 -1.883 -0.990 294 HB3 LYS 32 2HB LYS 32 -19.285 -2.440 -1.320 295 HG2 LYS 32 1HG LYS 32 -17.697 -1.359 -3.584 296 HG3 LYS 32 2HG LYS 32 -17.281 -2.955 -2.953 297 HD2 LYS 32 1HD LYS 32 -20.058 -2.975 -3.149 298 HD3 LYS 32 2HD LYS 32 -19.513 -2.144 -4.609 299 HE2 LYS 32 1HE LYS 32 -19.221 -4.199 -5.446 300 HE3 LYS 32 2HE LYS 32 -17.766 -4.243 -4.451 301 HZ1 LYS 32 3HZ LYS 32 -18.656 -5.760 -3.103 302 HZ2 LYS 32 1HZ LYS 32 -19.808 -6.010 -4.317 303 HZ3 LYS 32 2HZ LYS 32 -20.152 -4.974 -3.025 304 H LYS 33 H LYS 33 -18.030 0.025 0.717 305 HA LYS 33 HA LYS 33 -20.355 -0.463 2.270 306 HB2 LYS 33 1HB LYS 33 -17.728 0.854 2.973 307 HB3 LYS 33 2HB LYS 33 -18.979 0.466 4.148 308 HG2 LYS 33 1HG LYS 33 -17.531 -1.523 2.410 309 HG3 LYS 33 2HG LYS 33 -17.202 -1.208 4.115 310 HD2 LYS 33 1HD LYS 33 -19.986 -1.713 3.819 311 HD3 LYS 33 2HD LYS 33 -19.100 -2.987 2.979 312 HE2 LYS 33 1HE LYS 33 -17.702 -3.227 5.062 313 HE3 LYS 33 2HE LYS 33 -18.848 -2.151 5.861 314 HZ1 LYS 33 3HZ LYS 33 -19.077 -4.829 5.752 315 HZ2 LYS 33 1HZ LYS 33 -20.069 -4.360 4.464 316 HZ3 LYS 33 2HZ LYS 33 -20.367 -3.766 6.019 317 H LYS 34 H LYS 34 -18.890 2.415 0.924 318 HA LYS 34 HA LYS 34 -20.285 4.338 2.436 319 HB2 LYS 34 1HB LYS 34 -18.338 4.414 0.511 320 HB3 LYS 34 2HB LYS 34 -19.722 5.063 -0.357 321 HG2 LYS 34 1HG LYS 34 -19.419 7.027 0.606 322 HG3 LYS 34 2HG LYS 34 -19.634 6.295 2.197 323 HD2 LYS 34 1HD LYS 34 -17.372 6.066 2.547 324 HD3 LYS 34 2HD LYS 34 -17.005 6.006 0.821 325 HE2 LYS 34 1HE LYS 34 -17.880 8.477 0.869 326 HE3 LYS 34 2HE LYS 34 -17.492 8.364 2.585 327 HZ1 LYS 34 3HZ LYS 34 -15.639 9.245 1.314 328 HZ2 LYS 34 1HZ LYS 34 -15.603 7.854 0.350 329 HZ3 LYS 34 2HZ LYS 34 -15.231 7.752 1.998 330 H LYS 35 H LYS 35 -21.189 2.402 -0.313 331 HA LYS 35 HA LYS 35 -23.118 2.200 -1.505 332 HB2 LYS 35 1HB LYS 35 -23.807 1.975 1.048 333 HB3 LYS 35 2HB LYS 35 -24.679 3.462 0.701 334 HG2 LYS 35 1HG LYS 35 -26.261 2.395 -0.453 335 HG3 LYS 35 2HG LYS 35 -25.089 1.392 -1.308 336 HD2 LYS 35 1HD LYS 35 -25.278 -0.310 0.165 337 HD3 LYS 35 2HD LYS 35 -25.443 0.771 1.549 338 HE2 LYS 35 1HE LYS 35 -27.558 -0.067 1.502 339 HE3 LYS 35 2HE LYS 35 -27.774 1.279 0.384 340 HZ1 LYS 35 3HZ LYS 35 -26.849 -0.970 -1.033 341 HZ2 LYS 35 1HZ LYS 35 -28.315 -0.142 -1.205 342 HZ3 LYS 35 2HZ LYS 35 -28.191 -1.424 -0.108 343 H LYS 36 H LYS 36 -21.635 4.651 -1.823 344 HA LYS 36 HA LYS 36 -23.208 6.952 -1.841 345 HB2 LYS 36 1HB LYS 36 -21.605 7.875 -3.380 346 HB3 LYS 36 2HB LYS 36 -20.745 6.873 -2.219 347 HG2 LYS 36 1HG LYS 36 -19.769 5.911 -3.965 348 HG3 LYS 36 2HG LYS 36 -21.320 5.129 -4.282 349 HD2 LYS 36 1HD LYS 36 -21.790 7.468 -5.474 350 HD3 LYS 36 2HD LYS 36 -20.033 7.433 -5.638 351 HE2 LYS 36 1HE LYS 36 -21.680 5.047 -6.388 352 HE3 LYS 36 2HE LYS 36 -21.510 6.401 -7.505 353 HZ1 LYS 36 3HZ LYS 36 -19.807 4.340 -7.359 354 HZ2 LYS 36 1HZ LYS 36 -19.031 5.458 -6.355 355 HZ3 LYS 36 2HZ LYS 36 -19.396 5.868 -7.954 Start of MODEL 15 1 H1 LYS 1 H LYS 1 21.221 13.563 9.233 2 HA LYS 1 HA LYS 1 19.423 11.675 9.022 3 HB2 LYS 1 1HB LYS 1 18.728 13.744 7.037 4 HB3 LYS 1 2HB LYS 1 18.710 12.093 6.430 5 HG2 LYS 1 1HG LYS 1 16.511 12.794 7.215 6 HG3 LYS 1 2HG LYS 1 17.140 11.448 8.168 7 HD2 LYS 1 1HD LYS 1 17.286 12.682 10.053 8 HD3 LYS 1 2HD LYS 1 17.786 14.136 9.186 9 HE2 LYS 1 1HE LYS 1 15.105 13.545 8.456 10 HE3 LYS 1 2HE LYS 1 15.221 13.472 10.214 11 HZ1 LYS 1 3HZ LYS 1 16.637 15.715 9.426 12 HZ2 LYS 1 1HZ LYS 1 15.144 15.671 10.220 13 HZ3 LYS 1 2HZ LYS 1 15.203 15.742 8.530 14 H LYS 2 H LYS 2 21.136 13.259 6.319 15 HA LYS 2 HA LYS 2 22.790 12.536 4.936 16 HB2 LYS 2 1HB LYS 2 23.554 10.627 7.145 17 HB3 LYS 2 2HB LYS 2 24.596 11.294 5.894 18 HG2 LYS 2 1HG LYS 2 23.320 12.834 8.146 19 HG3 LYS 2 2HG LYS 2 25.016 12.357 8.033 20 HD2 LYS 2 1HD LYS 2 24.414 13.693 5.635 21 HD3 LYS 2 2HD LYS 2 23.693 14.655 6.927 22 HE2 LYS 2 1HE LYS 2 25.696 15.246 7.780 23 HE3 LYS 2 2HE LYS 2 26.415 13.669 7.457 24 HZ1 LYS 2 3HZ LYS 2 27.436 14.572 5.730 25 HZ2 LYS 2 1HZ LYS 2 26.649 16.050 5.968 26 HZ3 LYS 2 2HZ LYS 2 25.940 14.861 4.996 27 H LYS 3 H LYS 3 23.916 10.233 4.250 28 HA LYS 3 HA LYS 3 21.845 8.186 4.028 29 HB2 LYS 3 1HB LYS 3 22.365 8.041 1.530 30 HB3 LYS 3 2HB LYS 3 21.356 9.380 2.059 31 HG2 LYS 3 1HG LYS 3 24.196 10.025 2.047 32 HG3 LYS 3 2HG LYS 3 23.572 9.568 0.459 33 HD2 LYS 3 1HD LYS 3 21.617 11.205 1.144 34 HD3 LYS 3 2HD LYS 3 22.865 11.884 2.193 35 HE2 LYS 3 1HE LYS 3 23.633 11.353 -0.613 36 HE3 LYS 3 2HE LYS 3 22.483 12.663 -0.347 37 HZ1 LYS 3 3HZ LYS 3 24.052 13.953 0.545 38 HZ2 LYS 3 1HZ LYS 3 25.163 12.896 -0.169 39 HZ3 LYS 3 2HZ LYS 3 24.730 12.698 1.454 40 H LYS 4 H LYS 4 23.699 7.533 5.595 41 HA LYS 4 HA LYS 4 26.228 6.807 4.743 42 HB2 LYS 4 1HB LYS 4 24.437 6.047 6.939 43 HB3 LYS 4 2HB LYS 4 25.595 4.797 6.504 44 HG2 LYS 4 1HG LYS 4 26.963 7.286 6.620 45 HG3 LYS 4 2HG LYS 4 26.002 7.099 8.088 46 HD2 LYS 4 1HD LYS 4 27.928 5.049 6.994 47 HD3 LYS 4 2HD LYS 4 28.272 6.163 8.319 48 HE2 LYS 4 1HE LYS 4 26.016 5.096 9.256 49 HE3 LYS 4 2HE LYS 4 26.554 3.747 8.256 50 HZ1 LYS 4 3HZ LYS 4 28.688 3.814 9.435 51 HZ2 LYS 4 1HZ LYS 4 27.395 3.510 10.484 52 HZ3 LYS 4 2HZ LYS 4 28.100 5.047 10.433 53 H ASP 5 H ASP 5 23.472 4.559 5.049 54 HA ASP 5 HA ASP 5 24.727 2.872 2.997 55 HB2 ASP 5 1HB ASP 5 22.415 2.022 4.720 56 HB3 ASP 5 2HB ASP 5 23.622 1.021 3.919 57 H LYS 6 H LYS 6 23.813 2.606 1.059 58 HA LYS 6 HA LYS 6 21.450 4.131 0.408 59 HB2 LYS 6 1HB LYS 6 23.714 3.200 -0.995 60 HB3 LYS 6 2HB LYS 6 22.322 2.416 -1.732 61 HG2 LYS 6 1HG LYS 6 22.453 5.379 -1.256 62 HG3 LYS 6 2HG LYS 6 23.036 4.615 -2.737 63 HD2 LYS 6 1HD LYS 6 20.260 4.108 -1.721 64 HD3 LYS 6 2HD LYS 6 20.628 5.536 -2.692 65 HE2 LYS 6 1HE LYS 6 21.813 3.564 -4.148 66 HE3 LYS 6 2HE LYS 6 20.422 2.715 -3.475 67 HZ1 LYS 6 3HZ LYS 6 20.255 5.294 -4.934 68 HZ2 LYS 6 1HZ LYS 6 18.961 4.340 -4.409 69 HZ3 LYS 6 2HZ LYS 6 19.978 3.782 -5.639 70 H TRP 7 H TRP 7 22.279 0.807 1.005 71 HA TRP 7 HA TRP 7 20.094 -0.448 -0.232 72 HB2 TRP 7 2HB TRP 7 21.717 -1.263 2.187 73 HB3 TRP 7 3HB TRP 7 20.544 -2.308 1.388 74 HD1 TRP 7 1HD TRP 7 24.015 -0.778 0.895 75 HE1 TRP 7 1HE TRP 7 25.198 -2.021 -1.024 76 HE3 TRP 7 3HE TRP 7 20.111 -3.643 -0.742 77 HZ2 TRP 7 2HZ TRP 7 24.559 -3.960 -2.973 78 HZ3 TRP 7 3HZ TRP 7 20.480 -5.166 -2.640 79 HH2 TRP 7 2HH TRP 7 22.659 -5.319 -3.731 80 H ALA 8 H ALA 8 20.396 1.240 2.804 81 HA ALA 8 HA ALA 8 18.218 0.295 4.216 82 HB1 ALA 8 3HB ALA 8 19.192 3.147 4.088 83 HB2 ALA 8 1HB ALA 8 18.187 2.448 5.358 84 HB3 ALA 8 2HB ALA 8 19.842 1.880 5.128 85 H SER 9 H SER 9 18.307 2.764 1.677 86 HA SER 9 HA SER 9 15.638 3.587 1.839 87 HB2 SER 9 1HB SER 9 17.858 4.079 0.142 88 HB3 SER 9 2HB SER 9 16.501 3.637 -0.894 89 HG SER 9 HG SER 9 16.259 5.542 1.182 90 H LEU 10 H LEU 10 17.142 0.934 0.061 91 HA LEU 10 HA LEU 10 14.853 0.171 -1.407 92 HB2 LEU 10 1HB LEU 10 17.290 -0.496 -1.773 93 HB3 LEU 10 2HB LEU 10 17.027 -1.701 -0.516 94 HG LEU 10 HG LEU 10 15.156 -1.674 -2.827 95 HD11 LEU 10 1HD1 LEU 10 18.031 -2.535 -2.954 96 HD12 LEU 10 2HD1 LEU 10 17.149 -1.485 -4.061 97 HD13 LEU 10 3HD1 LEU 10 16.792 -3.212 -4.010 98 HD21 LEU 10 3HD2 LEU 10 15.289 -4.108 -2.457 99 HD22 LEU 10 1HD2 LEU 10 14.792 -3.228 -1.012 100 HD23 LEU 10 2HD2 LEU 10 16.445 -3.828 -1.154 101 H TRP 11 H TRP 11 16.220 -1.048 1.641 102 HA TRP 11 HA TRP 11 14.351 -3.054 2.134 103 HB2 TRP 11 2HB TRP 11 16.088 -1.376 3.920 104 HB3 TRP 11 3HB TRP 11 14.941 -2.518 4.614 105 HD1 TRP 11 1HD TRP 11 18.415 -2.420 3.965 106 HE1 TRP 11 1HE TRP 11 19.413 -4.740 3.468 107 HE3 TRP 11 3HE TRP 11 14.097 -4.959 2.942 108 HZ2 TRP 11 2HZ TRP 11 18.492 -7.306 2.740 109 HZ3 TRP 11 3HZ TRP 11 14.243 -7.344 2.353 110 HH2 TRP 11 2HH TRP 11 16.396 -8.491 2.254 111 H ASN 12 H ASN 12 14.281 0.380 3.016 112 HA ASN 12 HA ASN 12 11.910 0.314 4.519 113 HB2 ASN 12 1HB ASN 12 13.278 2.513 2.973 114 HB3 ASN 12 2HB ASN 12 11.797 2.793 3.884 115 HD21 ASN 12 2HD2 ASN 12 13.199 4.328 5.017 116 HD22 ASN 12 1HD2 ASN 12 14.152 3.753 6.339 117 H TRP 13 H TRP 13 12.494 0.576 1.070 118 HA TRP 13 HA TRP 13 9.960 1.401 0.232 119 HB2 TRP 13 2HB TRP 13 12.047 1.214 -1.182 120 HB3 TRP 13 3HB TRP 13 11.748 -0.520 -1.266 121 HD1 TRP 13 1HD TRP 13 10.244 2.824 -2.432 122 HE1 TRP 13 1HE TRP 13 8.695 2.361 -4.434 123 HE3 TRP 13 3HE TRP 13 10.373 -2.286 -2.393 124 HZ2 TRP 13 2HZ TRP 13 7.663 0.125 -5.814 125 HZ3 TRP 13 3HZ TRP 13 9.077 -3.512 -4.087 126 HH2 TRP 13 2HH TRP 13 7.750 -2.329 -5.761 127 H PHE 14 H PHE 14 11.020 -1.609 1.509 128 HA PHE 14 HA PHE 14 9.291 -3.444 0.394 129 HB2 PHE 14 2HB PHE 14 11.123 -3.879 2.090 130 HB3 PHE 14 3HB PHE 14 9.985 -3.369 3.333 131 HD1 PHE 14 1HD PHE 14 9.538 -5.486 0.300 132 HD2 PHE 14 2HD PHE 14 9.389 -5.231 4.546 133 HE1 PHE 14 1HE PHE 14 8.632 -7.772 0.402 134 HE2 PHE 14 2HE PHE 14 8.485 -7.517 4.655 135 HZ PHE 14 HZ PHE 14 8.105 -8.790 2.581 136 H ASP 15 H ASP 15 8.708 -1.592 3.388 137 HA ASP 15 HA ASP 15 6.070 -2.393 3.783 138 HB2 ASP 15 1HB ASP 15 7.367 -1.226 5.497 139 HB3 ASP 15 2HB ASP 15 7.368 0.238 4.519 140 H ILE 16 H ILE 16 7.387 0.224 1.827 141 HA ILE 16 HA ILE 16 4.901 1.435 1.199 142 HB ILE 16 HB ILE 16 7.586 1.534 -0.167 143 HG12 ILE 16 1HG1 ILE 16 7.313 3.978 0.666 144 HG13 ILE 16 2HG1 ILE 16 6.059 3.319 1.709 145 HG21 ILE 16 1HG2 ILE 16 6.331 3.663 -1.193 146 HG22 ILE 16 2HG2 ILE 16 6.373 2.093 -1.993 147 HG23 ILE 16 3HG2 ILE 16 4.961 2.562 -1.047 148 HD11 ILE 16 3HD1 ILE 16 8.341 3.548 2.728 149 HD12 ILE 16 1HD1 ILE 16 7.601 1.953 2.855 150 HD13 ILE 16 2HD1 ILE 16 8.861 2.248 1.657 151 H THR 17 H THR 17 6.660 -1.267 -0.112 152 HA THR 17 HA THR 17 5.582 -1.479 -2.654 153 HB THR 17 HB THR 17 5.921 -3.964 -1.023 154 HG1 THR 17 1HG THR 17 8.240 -3.688 -1.404 155 HG21 THR 17 3HG2 THR 17 5.492 -4.465 -3.250 156 HG22 THR 17 1HG2 THR 17 7.254 -4.498 -3.189 157 HG23 THR 17 2HG2 THR 17 6.421 -3.089 -3.845 158 H ASN 18 H ASN 18 4.329 -2.906 0.364 159 HA ASN 18 HA ASN 18 1.912 -3.788 -0.931 160 HB2 ASN 18 1HB ASN 18 3.250 -4.258 1.586 161 HB3 ASN 18 2HB ASN 18 1.547 -3.895 1.854 162 HD21 ASN 18 2HD2 ASN 18 -0.003 -5.135 0.533 163 HD22 ASN 18 1HD2 ASN 18 0.364 -6.788 0.188 164 H TRP 19 H TRP 19 2.971 -1.015 0.855 165 HA TRP 19 HA TRP 19 0.614 0.003 1.869 166 HB2 TRP 19 2HB TRP 19 2.772 1.044 2.305 167 HB3 TRP 19 3HB TRP 19 2.917 1.511 0.613 168 HD1 TRP 19 1HD TRP 19 0.223 2.105 3.363 169 HE1 TRP 19 1HE TRP 19 -0.474 4.581 3.253 170 HE3 TRP 19 3HE TRP 19 3.220 3.620 -0.491 171 HZ2 TRP 19 2HZ TRP 19 0.164 6.872 1.732 172 HZ3 TRP 19 3HZ TRP 19 3.116 5.970 -1.213 173 HH2 TRP 19 2HH TRP 19 1.618 7.561 -0.124 174 H LEU 20 H LEU 20 1.938 0.397 -1.404 175 HA LEU 20 HA LEU 20 -0.200 2.010 -2.348 176 HB2 LEU 20 1HB LEU 20 2.205 0.789 -3.420 177 HB3 LEU 20 2HB LEU 20 0.867 0.742 -4.566 178 HG LEU 20 HG LEU 20 0.786 3.338 -3.731 179 HD11 LEU 20 1HD1 LEU 20 3.362 3.861 -4.173 180 HD12 LEU 20 2HD1 LEU 20 3.535 2.308 -3.357 181 HD13 LEU 20 3HD1 LEU 20 2.698 3.636 -2.554 182 HD21 LEU 20 3HD2 LEU 20 0.710 2.385 -6.043 183 HD22 LEU 20 1HD2 LEU 20 2.472 2.324 -6.013 184 HD23 LEU 20 2HD2 LEU 20 1.642 3.875 -5.892 185 H TRP 21 H TRP 21 0.263 -1.404 -2.000 186 HA TRP 21 HA TRP 21 -1.846 -2.145 -3.815 187 HB2 TRP 21 2HB TRP 21 0.253 -3.484 -2.441 188 HB3 TRP 21 3HB TRP 21 -1.263 -4.241 -1.961 189 HD1 TRP 21 1HD TRP 21 1.204 -4.109 -4.766 190 HE1 TRP 21 1HE TRP 21 0.385 -5.569 -6.722 191 HE3 TRP 21 3HE TRP 21 -3.583 -4.967 -3.191 192 HZ2 TRP 21 2HZ TRP 21 -1.978 -6.906 -7.495 193 HZ3 TRP 21 3HZ TRP 21 -5.059 -6.346 -4.597 194 HH2 TRP 21 2HH TRP 21 -4.271 -7.295 -6.704 195 H TYR 22 H TYR 22 -1.562 -1.344 -0.457 196 HA TYR 22 HA TYR 22 -4.072 -2.526 0.313 197 HB2 TYR 22 2HB TYR 22 -2.335 -2.340 1.982 198 HB3 TYR 22 3HB TYR 22 -2.224 -0.600 1.735 199 HD1 TYR 22 2HD TYR 22 -4.182 -3.307 3.238 200 HD2 TYR 22 1HD TYR 22 -3.888 0.899 2.667 201 HE1 TYR 22 2HE TYR 22 -5.850 -2.954 5.010 202 HE2 TYR 22 1HE TYR 22 -5.555 1.263 4.438 203 HH TYR 22 HH TYR 22 -6.562 0.211 6.263 204 H ILE 23 H ILE 23 -2.880 0.738 -0.373 205 HA ILE 23 HA ILE 23 -5.219 2.145 0.252 206 HB ILE 23 HB ILE 23 -4.354 3.944 -1.151 207 HG12 ILE 23 1HG1 ILE 23 -2.207 1.989 -1.998 208 HG13 ILE 23 2HG1 ILE 23 -3.565 2.475 -3.008 209 HG21 ILE 23 1HG2 ILE 23 -1.788 3.264 -0.077 210 HG22 ILE 23 2HG2 ILE 23 -2.965 4.440 0.507 211 HG23 ILE 23 3HG2 ILE 23 -3.055 2.762 1.043 212 HD11 ILE 23 3HD1 ILE 23 -2.660 4.882 -2.527 213 HD12 ILE 23 1HD1 ILE 23 -1.161 4.017 -2.190 214 HD13 ILE 23 2HD1 ILE 23 -1.928 3.869 -3.772 215 H LYS 24 H LYS 24 -4.392 0.191 -2.482 216 HA LYS 24 HA LYS 24 -6.392 1.257 -4.241 217 HB2 LYS 24 1HB LYS 24 -4.640 -1.190 -4.307 218 HB3 LYS 24 2HB LYS 24 -5.887 -0.919 -5.518 219 HG2 LYS 24 1HG LYS 24 -4.827 1.187 -6.147 220 HG3 LYS 24 2HG LYS 24 -3.580 0.925 -4.927 221 HD2 LYS 24 1HD LYS 24 -3.002 -1.211 -6.100 222 HD3 LYS 24 2HD LYS 24 -4.119 -0.739 -7.384 223 HE2 LYS 24 1HE LYS 24 -2.453 1.478 -6.916 224 HE3 LYS 24 2HE LYS 24 -1.400 0.065 -6.952 225 HZ1 LYS 24 3HZ LYS 24 -1.663 0.986 -9.154 226 HZ2 LYS 24 1HZ LYS 24 -3.346 0.841 -9.055 227 HZ3 LYS 24 2HZ LYS 24 -2.379 -0.546 -9.087 228 H LEU 25 H LEU 25 -6.068 -1.897 -2.599 229 HA LEU 25 HA LEU 25 -8.678 -2.769 -3.162 230 HB2 LEU 25 1HB LEU 25 -8.291 -4.369 -1.280 231 HB3 LEU 25 2HB LEU 25 -7.056 -4.375 -2.538 232 HG LEU 25 HG LEU 25 -5.892 -2.689 -0.824 233 HD11 LEU 25 1HD1 LEU 25 -6.672 -2.709 1.254 234 HD12 LEU 25 2HD1 LEU 25 -6.726 -4.472 1.280 235 HD13 LEU 25 3HD1 LEU 25 -8.094 -3.558 0.645 236 HD21 LEU 25 3HD2 LEU 25 -4.961 -4.773 -1.752 237 HD22 LEU 25 1HD2 LEU 25 -5.841 -5.690 -0.529 238 HD23 LEU 25 2HD2 LEU 25 -4.574 -4.562 -0.043 239 H PHE 26 H PHE 26 -7.339 -0.947 -0.461 240 HA PHE 26 HA PHE 26 -9.432 -1.054 1.335 241 HB2 PHE 26 2HB PHE 26 -7.374 0.011 1.959 242 HB3 PHE 26 3HB PHE 26 -7.552 1.221 0.691 243 HD1 PHE 26 1HD PHE 26 -9.950 -0.041 3.248 244 HD2 PHE 26 2HD PHE 26 -7.766 3.274 1.710 245 HE1 PHE 26 1HE PHE 26 -11.096 1.448 4.837 246 HE2 PHE 26 2HE PHE 26 -8.908 4.767 3.298 247 HZ PHE 26 HZ PHE 26 -10.575 3.854 4.865 248 H ILE 27 H ILE 27 -8.911 1.570 -1.028 249 HA ILE 27 HA ILE 27 -11.363 2.835 -0.674 250 HB ILE 27 HB ILE 27 -9.732 2.690 -3.211 251 HG12 ILE 27 1HG1 ILE 27 -8.458 3.514 -1.261 252 HG13 ILE 27 2HG1 ILE 27 -8.724 4.781 -2.453 253 HG21 ILE 27 1HG2 ILE 27 -11.751 3.561 -3.912 254 HG22 ILE 27 2HG2 ILE 27 -12.062 4.358 -2.371 255 HG23 ILE 27 3HG2 ILE 27 -10.859 5.019 -3.479 256 HD11 ILE 27 3HD1 ILE 27 -9.332 4.806 0.294 257 HD12 ILE 27 1HD1 ILE 27 -9.644 6.058 -0.907 258 HD13 ILE 27 2HD1 ILE 27 -10.863 4.826 -0.581 259 H MET 28 H MET 28 -10.485 0.120 -2.735 260 HA MET 28 HA MET 28 -12.830 0.014 -4.279 261 HB2 MET 28 1HB MET 28 -10.697 -1.230 -4.732 262 HB3 MET 28 2HB MET 28 -11.129 -2.335 -3.433 263 HG2 MET 28 1HG MET 28 -13.379 -2.420 -4.920 264 HG3 MET 28 2HG MET 28 -12.172 -2.126 -6.170 265 HE1 MET 28 3HE MET 28 -14.080 -4.530 -4.279 266 HE2 MET 28 1HE MET 28 -13.104 -5.980 -4.053 267 HE3 MET 28 2HE MET 28 -12.864 -4.585 -3.002 268 H ILE 29 H ILE 29 -12.020 -1.365 -1.135 269 HA ILE 29 HA ILE 29 -14.493 -2.813 -0.912 270 HB ILE 29 HB ILE 29 -12.443 -2.152 1.206 271 HG12 ILE 29 1HG1 ILE 29 -12.847 -4.815 -0.135 272 HG13 ILE 29 2HG1 ILE 29 -11.787 -3.595 -0.835 273 HG21 ILE 29 1HG2 ILE 29 -14.541 -2.636 2.252 274 HG22 ILE 29 2HG2 ILE 29 -14.786 -4.045 1.221 275 HG23 ILE 29 3HG2 ILE 29 -13.500 -4.049 2.427 276 HD11 ILE 29 3HD1 ILE 29 -10.317 -4.867 0.380 277 HD12 ILE 29 1HD1 ILE 29 -10.701 -3.582 1.525 278 HD13 ILE 29 2HD1 ILE 29 -11.474 -5.160 1.678 279 H VAL 30 H VAL 30 -13.255 0.296 0.134 280 HA VAL 30 HA VAL 30 -15.268 0.932 1.997 281 HB VAL 30 HB VAL 30 -13.657 2.821 0.275 282 HG11 VAL 30 1HG1 VAL 30 -15.182 4.267 1.119 283 HG12 VAL 30 2HG1 VAL 30 -15.591 3.215 2.476 284 HG13 VAL 30 3HG1 VAL 30 -14.121 4.191 2.527 285 HG21 VAL 30 3HG2 VAL 30 -12.750 2.746 2.954 286 HG22 VAL 30 1HG2 VAL 30 -12.869 1.081 2.385 287 HG23 VAL 30 2HG2 VAL 30 -11.892 2.248 1.496 288 H GLY 31 H GLY 31 -14.981 1.603 -1.480 289 HA2 GLY 31 1HA GLY 31 -17.266 3.162 -1.800 290 HA3 GLY 31 2HA GLY 31 -16.565 2.143 -3.049 291 H LYS 32 H LYS 32 -16.940 -0.342 -1.649 292 HA LYS 32 HA LYS 32 -19.521 -1.004 -2.541 293 HB2 LYS 32 1HB LYS 32 -17.565 -2.430 -0.744 294 HB3 LYS 32 2HB LYS 32 -19.114 -3.134 -1.187 295 HG2 LYS 32 1HG LYS 32 -17.881 -2.255 -3.572 296 HG3 LYS 32 2HG LYS 32 -16.668 -3.134 -2.638 297 HD2 LYS 32 1HD LYS 32 -18.784 -4.776 -2.332 298 HD3 LYS 32 2HD LYS 32 -19.145 -4.098 -3.922 299 HE2 LYS 32 1HE LYS 32 -17.866 -5.995 -4.388 300 HE3 LYS 32 2HE LYS 32 -16.715 -4.665 -4.502 301 HZ1 LYS 32 3HZ LYS 32 -16.993 -5.950 -1.900 302 HZ2 LYS 32 1HZ LYS 32 -15.612 -5.338 -2.664 303 HZ3 LYS 32 2HZ LYS 32 -16.227 -6.849 -3.112 304 H LYS 33 H LYS 33 -18.309 0.031 0.568 305 HA LYS 33 HA LYS 33 -20.766 -0.609 1.953 306 HB2 LYS 33 1HB LYS 33 -18.514 1.111 2.982 307 HB3 LYS 33 2HB LYS 33 -19.701 0.210 3.916 308 HG2 LYS 33 1HG LYS 33 -17.513 -0.978 2.221 309 HG3 LYS 33 2HG LYS 33 -17.528 -0.872 3.982 310 HD2 LYS 33 1HD LYS 33 -19.608 -2.251 3.974 311 HD3 LYS 33 2HD LYS 33 -19.404 -2.459 2.233 312 HE2 LYS 33 1HE LYS 33 -17.467 -3.728 2.492 313 HE3 LYS 33 2HE LYS 33 -17.193 -3.148 4.134 314 HZ1 LYS 33 3HZ LYS 33 -18.005 -5.240 4.514 315 HZ2 LYS 33 1HZ LYS 33 -19.046 -5.218 3.181 316 HZ3 LYS 33 2HZ LYS 33 -19.441 -4.347 4.576 317 H LYS 34 H LYS 34 -19.038 2.351 1.001 318 HA LYS 34 HA LYS 34 -20.919 4.190 1.948 319 HB2 LYS 34 1HB LYS 34 -18.545 4.243 0.344 320 HB3 LYS 34 2HB LYS 34 -19.769 5.248 -0.417 321 HG2 LYS 34 1HG LYS 34 -19.906 5.931 2.264 322 HG3 LYS 34 2HG LYS 34 -18.180 5.737 1.947 323 HD2 LYS 34 1HD LYS 34 -18.337 7.280 0.070 324 HD3 LYS 34 2HD LYS 34 -20.075 7.442 0.329 325 HE2 LYS 34 1HE LYS 34 -19.462 9.253 1.522 326 HE3 LYS 34 2HE LYS 34 -19.160 8.065 2.789 327 HZ1 LYS 34 3HZ LYS 34 -17.230 9.342 2.697 328 HZ2 LYS 34 1HZ LYS 34 -17.205 9.382 1.005 329 HZ3 LYS 34 2HZ LYS 34 -16.826 7.951 1.823 330 H LYS 35 H LYS 35 -20.676 2.529 -1.164 331 HA LYS 35 HA LYS 35 -22.135 2.288 -2.892 332 HB2 LYS 35 1HB LYS 35 -23.507 1.633 -0.694 333 HB3 LYS 35 2HB LYS 35 -24.464 3.021 -1.193 334 HG2 LYS 35 1HG LYS 35 -25.476 1.841 -2.771 335 HG3 LYS 35 2HG LYS 35 -23.933 1.298 -3.436 336 HD2 LYS 35 1HD LYS 35 -23.843 -0.446 -1.678 337 HD3 LYS 35 2HD LYS 35 -25.444 0.061 -1.135 338 HE2 LYS 35 1HE LYS 35 -25.014 -0.670 -3.999 339 HE3 LYS 35 2HE LYS 35 -25.183 -1.944 -2.791 340 HZ1 LYS 35 3HZ LYS 35 -27.264 -0.558 -2.117 341 HZ2 LYS 35 1HZ LYS 35 -27.343 -1.634 -3.421 342 HZ3 LYS 35 2HZ LYS 35 -27.159 0.024 -3.702 343 H LYS 36 H LYS 36 -20.969 4.840 -2.598 344 HA LYS 36 HA LYS 36 -23.098 6.528 -3.738 345 HB2 LYS 36 1HB LYS 36 -22.230 7.160 -1.388 346 HB3 LYS 36 2HB LYS 36 -20.763 7.663 -2.218 347 HG2 LYS 36 1HG LYS 36 -23.426 8.694 -3.103 348 HG3 LYS 36 2HG LYS 36 -22.601 9.406 -1.715 349 HD2 LYS 36 1HD LYS 36 -21.280 10.579 -3.066 350 HD3 LYS 36 2HD LYS 36 -20.734 9.099 -3.859 351 HE2 LYS 36 1HE LYS 36 -22.692 9.182 -5.334 352 HE3 LYS 36 2HE LYS 36 -23.218 10.669 -4.547 353 HZ1 LYS 36 3HZ LYS 36 -21.045 10.242 -6.447 354 HZ2 LYS 36 1HZ LYS 36 -20.788 11.394 -5.234 355 HZ3 LYS 36 2HZ LYS 36 -22.101 11.553 -6.289 Start of MODEL 16 1 H1 LYS 1 H LYS 1 34.312 9.961 2.620 2 HA LYS 1 HA LYS 1 31.776 10.754 3.455 3 HB2 LYS 1 1HB LYS 1 33.995 12.084 2.748 4 HB3 LYS 1 2HB LYS 1 33.062 12.311 1.275 5 HG2 LYS 1 1HG LYS 1 32.680 14.186 2.687 6 HG3 LYS 1 2HG LYS 1 31.207 13.214 2.670 7 HD2 LYS 1 1HD LYS 1 31.286 13.258 4.898 8 HD3 LYS 1 2HD LYS 1 32.683 12.184 4.784 9 HE2 LYS 1 1HE LYS 1 34.183 14.081 4.779 10 HE3 LYS 1 2HE LYS 1 32.819 15.197 4.759 11 HZ1 LYS 1 3HZ LYS 1 34.089 14.348 6.979 12 HZ2 LYS 1 1HZ LYS 1 32.754 13.310 6.934 13 HZ3 LYS 1 2HZ LYS 1 32.522 14.985 6.948 14 H LYS 2 H LYS 2 29.865 11.232 2.384 15 HA LYS 2 HA LYS 2 28.195 10.983 0.861 16 HB2 LYS 2 1HB LYS 2 30.331 10.720 -1.251 17 HB3 LYS 2 2HB LYS 2 28.681 11.296 -1.450 18 HG2 LYS 2 1HG LYS 2 30.824 12.707 0.128 19 HG3 LYS 2 2HG LYS 2 30.343 13.105 -1.523 20 HD2 LYS 2 1HD LYS 2 27.973 13.350 -0.551 21 HD3 LYS 2 2HD LYS 2 28.776 13.400 1.020 22 HE2 LYS 2 1HE LYS 2 29.529 15.211 -1.262 23 HE3 LYS 2 2HE LYS 2 28.301 15.635 -0.070 24 HZ1 LYS 2 3HZ LYS 2 29.990 15.364 1.667 25 HZ2 LYS 2 1HZ LYS 2 30.417 16.565 0.554 26 HZ3 LYS 2 2HZ LYS 2 31.158 15.046 0.487 27 H LYS 3 H LYS 3 27.965 8.871 1.984 28 HA LYS 3 HA LYS 3 28.423 6.649 0.102 29 HB2 LYS 3 1HB LYS 3 29.836 6.408 2.086 30 HB3 LYS 3 2HB LYS 3 28.424 6.550 3.125 31 HG2 LYS 3 1HG LYS 3 28.015 4.381 2.964 32 HG3 LYS 3 2HG LYS 3 28.031 4.456 1.200 33 HD2 LYS 3 1HD LYS 3 30.613 4.491 2.702 34 HD3 LYS 3 2HD LYS 3 29.759 2.963 2.474 35 HE2 LYS 3 1HE LYS 3 29.677 3.556 0.004 36 HE3 LYS 3 2HE LYS 3 30.839 4.829 0.376 37 HZ1 LYS 3 3HZ LYS 3 31.515 2.335 -0.302 38 HZ2 LYS 3 1HZ LYS 3 31.525 2.203 1.384 39 HZ3 LYS 3 2HZ LYS 3 32.496 3.357 0.621 40 H LYS 4 H LYS 4 26.374 6.963 -0.842 41 HA LYS 4 HA LYS 4 23.953 7.164 0.544 42 HB2 LYS 4 1HB LYS 4 24.748 6.374 -2.216 43 HB3 LYS 4 2HB LYS 4 23.113 5.992 -1.696 44 HG2 LYS 4 1HG LYS 4 22.637 8.038 -2.460 45 HG3 LYS 4 2HG LYS 4 23.307 8.580 -0.919 46 HD2 LYS 4 1HD LYS 4 25.450 8.172 -2.756 47 HD3 LYS 4 2HD LYS 4 24.217 9.168 -3.536 48 HE2 LYS 4 1HE LYS 4 25.765 10.610 -2.403 49 HE3 LYS 4 2HE LYS 4 24.230 10.645 -1.539 50 HZ1 LYS 4 3HZ LYS 4 25.125 9.125 0.087 51 HZ2 LYS 4 1HZ LYS 4 26.134 10.479 -0.040 52 HZ3 LYS 4 2HZ LYS 4 26.586 9.016 -0.758 53 H ASP 5 H ASP 5 22.886 5.756 1.759 54 HA ASP 5 HA ASP 5 23.736 2.979 1.828 55 HB2 ASP 5 1HB ASP 5 21.576 4.269 3.498 56 HB3 ASP 5 2HB ASP 5 22.475 2.795 3.848 57 H LYS 6 H LYS 6 22.828 2.902 -0.493 58 HA LYS 6 HA LYS 6 20.136 2.937 -1.104 59 HB2 LYS 6 1HB LYS 6 22.486 1.451 -2.185 60 HB3 LYS 6 2HB LYS 6 20.881 0.976 -2.727 61 HG2 LYS 6 1HG LYS 6 21.675 3.850 -2.816 62 HG3 LYS 6 2HG LYS 6 22.249 2.739 -4.062 63 HD2 LYS 6 1HD LYS 6 19.344 2.832 -3.344 64 HD3 LYS 6 2HD LYS 6 20.031 4.042 -4.430 65 HE2 LYS 6 1HE LYS 6 20.932 1.448 -5.220 66 HE3 LYS 6 2HE LYS 6 19.177 1.419 -5.044 67 HZ1 LYS 6 3HZ LYS 6 20.566 2.352 -7.200 68 HZ2 LYS 6 1HZ LYS 6 20.088 3.763 -6.400 69 HZ3 LYS 6 2HZ LYS 6 18.929 2.628 -6.875 70 H TRP 7 H TRP 7 22.058 0.194 0.096 71 HA TRP 7 HA TRP 7 20.035 -1.719 0.124 72 HB2 TRP 7 2HB TRP 7 21.412 -2.831 1.910 73 HB3 TRP 7 3HB TRP 7 22.311 -2.395 0.459 74 HD1 TRP 7 1HD TRP 7 21.890 -1.360 4.135 75 HE1 TRP 7 1HE TRP 7 23.952 0.014 4.833 76 HE3 TRP 7 3HE TRP 7 24.172 -0.946 -0.421 77 HZ2 TRP 7 2HZ TRP 7 26.242 1.126 3.614 78 HZ3 TRP 7 3HZ TRP 7 26.296 0.288 -0.570 79 HH2 TRP 7 2HH TRP 7 27.307 1.303 1.408 80 H ALA 8 H ALA 8 20.677 0.921 2.297 81 HA ALA 8 HA ALA 8 18.922 -0.062 4.370 82 HB1 ALA 8 3HB ALA 8 19.539 1.815 5.612 83 HB2 ALA 8 1HB ALA 8 20.987 1.427 4.683 84 HB3 ALA 8 2HB ALA 8 19.941 2.752 4.173 85 H SER 9 H SER 9 18.817 2.390 1.823 86 HA SER 9 HA SER 9 16.324 3.505 2.522 87 HB2 SER 9 1HB SER 9 18.232 3.757 0.367 88 HB3 SER 9 2HB SER 9 16.586 3.738 -0.267 89 HG SER 9 HG SER 9 16.689 5.780 0.282 90 H LEU 10 H LEU 10 17.207 0.914 0.268 91 HA LEU 10 HA LEU 10 14.668 0.431 -0.792 92 HB2 LEU 10 1HB LEU 10 17.123 -0.571 -1.236 93 HB3 LEU 10 2HB LEU 10 16.412 -1.907 -0.335 94 HG LEU 10 HG LEU 10 14.746 -0.898 -2.532 95 HD11 LEU 10 1HD1 LEU 10 17.005 -2.586 -3.432 96 HD12 LEU 10 2HD1 LEU 10 17.320 -0.866 -3.209 97 HD13 LEU 10 3HD1 LEU 10 16.053 -1.394 -4.316 98 HD21 LEU 10 3HD2 LEU 10 14.092 -2.867 -1.360 99 HD22 LEU 10 1HD2 LEU 10 15.683 -3.597 -1.577 100 HD23 LEU 10 2HD2 LEU 10 14.624 -3.362 -2.968 101 H TRP 11 H TRP 11 16.149 -0.614 2.205 102 HA TRP 11 HA TRP 11 14.371 -2.656 2.907 103 HB2 TRP 11 2HB TRP 11 16.593 -1.811 4.033 104 HB3 TRP 11 3HB TRP 11 15.494 -0.830 4.999 105 HD1 TRP 11 1HD TRP 11 16.424 -4.495 4.330 106 HE1 TRP 11 1HE TRP 11 15.555 -5.926 6.286 107 HE3 TRP 11 3HE TRP 11 13.768 -0.917 6.836 108 HZ2 TRP 11 2HZ TRP 11 13.955 -5.582 8.586 109 HZ3 TRP 11 3HZ TRP 11 12.597 -1.550 8.905 110 HH2 TRP 11 2HH TRP 11 12.689 -3.835 9.760 111 H ASN 12 H ASN 12 14.057 0.811 3.037 112 HA ASN 12 HA ASN 12 11.724 0.763 4.733 113 HB2 ASN 12 1HB ASN 12 13.586 2.696 4.043 114 HB3 ASN 12 2HB ASN 12 12.132 3.208 3.192 115 HD21 ASN 12 2HD2 ASN 12 10.219 3.580 4.417 116 HD22 ASN 12 1HD2 ASN 12 10.322 4.014 6.086 117 H TRP 13 H TRP 13 12.426 1.031 1.297 118 HA TRP 13 HA TRP 13 9.896 1.775 0.380 119 HB2 TRP 13 2HB TRP 13 12.034 1.669 -0.965 120 HB3 TRP 13 3HB TRP 13 11.797 -0.074 -1.068 121 HD1 TRP 13 1HD TRP 13 10.220 3.224 -2.265 122 HE1 TRP 13 1HE TRP 13 8.755 2.722 -4.321 123 HE3 TRP 13 3HE TRP 13 10.522 -1.879 -2.249 124 HZ2 TRP 13 2HZ TRP 13 7.848 0.461 -5.747 125 HZ3 TRP 13 3HZ TRP 13 9.326 -3.137 -3.993 126 HH2 TRP 13 2HH TRP 13 8.016 -1.990 -5.704 127 H PHE 14 H PHE 14 11.016 -1.206 1.675 128 HA PHE 14 HA PHE 14 9.388 -3.091 0.493 129 HB2 PHE 14 2HB PHE 14 11.183 -3.263 2.419 130 HB3 PHE 14 3HB PHE 14 9.764 -3.180 3.458 131 HD1 PHE 14 1HD PHE 14 10.927 -4.991 0.410 132 HD2 PHE 14 2HD PHE 14 8.802 -5.160 4.094 133 HE1 PHE 14 1HE PHE 14 10.553 -7.401 0.079 134 HE2 PHE 14 2HE PHE 14 8.424 -7.569 3.770 135 HZ PHE 14 HZ PHE 14 9.301 -8.693 1.761 136 H ASP 15 H ASP 15 8.641 -1.280 3.476 137 HA ASP 15 HA ASP 15 6.021 -2.173 3.777 138 HB2 ASP 15 1HB ASP 15 7.374 -0.886 5.465 139 HB3 ASP 15 2HB ASP 15 7.028 0.573 4.539 140 H ILE 16 H ILE 16 7.312 0.501 1.880 141 HA ILE 16 HA ILE 16 4.809 1.631 1.174 142 HB ILE 16 HB ILE 16 7.533 1.829 -0.099 143 HG12 ILE 16 1HG1 ILE 16 7.149 4.258 0.737 144 HG13 ILE 16 2HG1 ILE 16 5.883 3.549 1.734 145 HG21 ILE 16 1HG2 ILE 16 6.242 3.922 -1.155 146 HG22 ILE 16 2HG2 ILE 16 6.364 2.359 -1.962 147 HG23 ILE 16 3HG2 ILE 16 4.906 2.776 -1.062 148 HD11 ILE 16 3HD1 ILE 16 8.122 3.850 2.831 149 HD12 ILE 16 1HD1 ILE 16 7.433 2.229 2.924 150 HD13 ILE 16 2HD1 ILE 16 8.721 2.576 1.771 151 H THR 17 H THR 17 6.702 -1.001 -0.090 152 HA THR 17 HA THR 17 5.718 -1.233 -2.668 153 HB THR 17 HB THR 17 6.088 -3.715 -1.040 154 HG1 THR 17 1HG THR 17 8.406 -3.359 -1.339 155 HG21 THR 17 3HG2 THR 17 6.650 -2.806 -3.838 156 HG22 THR 17 1HG2 THR 17 5.751 -4.217 -3.285 157 HG23 THR 17 2HG2 THR 17 7.510 -4.189 -3.163 158 H ASN 18 H ASN 18 4.418 -2.736 0.293 159 HA ASN 18 HA ASN 18 2.075 -3.684 -1.087 160 HB2 ASN 18 1HB ASN 18 3.363 -4.577 1.100 161 HB3 ASN 18 2HB ASN 18 2.119 -3.605 1.879 162 HD21 ASN 18 2HD2 ASN 18 2.860 -6.590 0.651 163 HD22 ASN 18 1HD2 ASN 18 1.262 -7.230 0.498 164 H TRP 19 H TRP 19 2.978 -0.895 0.757 165 HA TRP 19 HA TRP 19 0.552 0.032 1.696 166 HB2 TRP 19 2HB TRP 19 2.706 1.114 2.185 167 HB3 TRP 19 3HB TRP 19 2.805 1.674 0.518 168 HD1 TRP 19 1HD TRP 19 -0.044 1.941 3.158 169 HE1 TRP 19 1HE TRP 19 -0.802 4.398 3.244 170 HE3 TRP 19 3HE TRP 19 3.212 3.916 -0.253 171 HZ2 TRP 19 2HZ TRP 19 -0.113 6.850 2.027 172 HZ3 TRP 19 3HZ TRP 19 3.096 6.326 -0.735 173 HH2 TRP 19 2HH TRP 19 1.467 7.761 0.382 174 H LEU 20 H LEU 20 1.970 0.466 -1.528 175 HA LEU 20 HA LEU 20 -0.136 2.060 -2.549 176 HB2 LEU 20 1HB LEU 20 2.304 0.874 -3.515 177 HB3 LEU 20 2HB LEU 20 1.009 0.674 -4.694 178 HG LEU 20 HG LEU 20 0.855 3.346 -3.918 179 HD11 LEU 20 1HD1 LEU 20 3.028 3.206 -2.857 180 HD12 LEU 20 2HD1 LEU 20 3.130 4.178 -4.324 181 HD13 LEU 20 3HD1 LEU 20 3.725 2.519 -4.325 182 HD21 LEU 20 3HD2 LEU 20 1.491 3.788 -6.192 183 HD22 LEU 20 1HD2 LEU 20 0.491 2.336 -6.156 184 HD23 LEU 20 2HD2 LEU 20 2.240 2.198 -6.337 185 H TRP 21 H TRP 21 0.284 -1.353 -2.137 186 HA TRP 21 HA TRP 21 -1.809 -2.090 -3.979 187 HB2 TRP 21 2HB TRP 21 0.288 -3.434 -2.649 188 HB3 TRP 21 3HB TRP 21 -1.210 -4.160 -2.073 189 HD1 TRP 21 1HD TRP 21 0.904 -3.756 -5.228 190 HE1 TRP 21 1HE TRP 21 0.062 -5.416 -7.006 191 HE3 TRP 21 3HE TRP 21 -3.297 -5.433 -2.846 192 HZ2 TRP 21 2HZ TRP 21 -2.099 -7.200 -7.353 193 HZ3 TRP 21 3HZ TRP 21 -4.698 -7.116 -3.969 194 HH2 TRP 21 2HH TRP 21 -4.109 -7.979 -6.176 195 H TYR 22 H TYR 22 -1.542 -1.283 -0.621 196 HA TYR 22 HA TYR 22 -4.056 -2.453 0.145 197 HB2 TYR 22 2HB TYR 22 -2.143 -2.117 1.725 198 HB3 TYR 22 3HB TYR 22 -2.422 -0.382 1.623 199 HD1 TYR 22 2HD TYR 22 -4.421 -3.483 2.262 200 HD2 TYR 22 1HD TYR 22 -3.619 0.552 3.351 201 HE1 TYR 22 2HE TYR 22 -6.075 -3.650 4.074 202 HE2 TYR 22 1HE TYR 22 -5.271 0.396 5.167 203 HH TYR 22 HH TYR 22 -7.568 -1.507 5.407 204 H ILE 23 H ILE 23 -2.877 0.776 -0.669 205 HA ILE 23 HA ILE 23 -5.214 2.203 -0.041 206 HB ILE 23 HB ILE 23 -4.358 3.960 -1.529 207 HG12 ILE 23 1HG1 ILE 23 -2.133 2.030 -2.212 208 HG13 ILE 23 2HG1 ILE 23 -3.497 2.359 -3.274 209 HG21 ILE 23 1HG2 ILE 23 -3.169 2.962 0.775 210 HG22 ILE 23 2HG2 ILE 23 -1.824 3.272 -0.322 211 HG23 ILE 23 3HG2 ILE 23 -2.949 4.568 0.082 212 HD11 ILE 23 3HD1 ILE 23 -2.810 4.554 -3.660 213 HD12 ILE 23 1HD1 ILE 23 -1.720 4.551 -2.274 214 HD13 ILE 23 2HD1 ILE 23 -1.325 3.606 -3.710 215 H LYS 24 H LYS 24 -4.395 0.185 -2.731 216 HA LYS 24 HA LYS 24 -6.395 1.207 -4.513 217 HB2 LYS 24 1HB LYS 24 -4.688 -1.277 -4.515 218 HB3 LYS 24 2HB LYS 24 -5.903 -0.977 -5.750 219 HG2 LYS 24 1HG LYS 24 -4.765 1.091 -6.373 220 HG3 LYS 24 2HG LYS 24 -3.547 0.796 -5.131 221 HD2 LYS 24 1HD LYS 24 -2.861 -1.246 -6.256 222 HD3 LYS 24 2HD LYS 24 -4.126 -1.026 -7.467 223 HE2 LYS 24 1HE LYS 24 -2.092 1.119 -7.014 224 HE3 LYS 24 2HE LYS 24 -1.682 -0.292 -7.988 225 HZ1 LYS 24 3HZ LYS 24 -4.106 0.501 -8.950 226 HZ2 LYS 24 1HZ LYS 24 -2.605 0.806 -9.668 227 HZ3 LYS 24 2HZ LYS 24 -3.309 1.962 -8.655 228 H LEU 25 H LEU 25 -6.087 -1.878 -2.743 229 HA LEU 25 HA LEU 25 -8.707 -2.755 -3.286 230 HB2 LEU 25 1HB LEU 25 -8.320 -4.306 -1.362 231 HB3 LEU 25 2HB LEU 25 -7.097 -4.359 -2.630 232 HG LEU 25 HG LEU 25 -5.937 -2.611 -0.941 233 HD11 LEU 25 1HD1 LEU 25 -6.685 -4.438 1.157 234 HD12 LEU 25 2HD1 LEU 25 -8.089 -3.561 0.553 235 HD13 LEU 25 3HD1 LEU 25 -6.686 -2.674 1.147 236 HD21 LEU 25 3HD2 LEU 25 -4.456 -4.336 -0.395 237 HD22 LEU 25 1HD2 LEU 25 -5.139 -4.826 -1.946 238 HD23 LEU 25 2HD2 LEU 25 -5.721 -5.565 -0.453 239 H PHE 26 H PHE 26 -7.337 -0.863 -0.650 240 HA PHE 26 HA PHE 26 -9.413 -0.908 1.168 241 HB2 PHE 26 2HB PHE 26 -7.330 0.167 1.719 242 HB3 PHE 26 3HB PHE 26 -7.550 1.356 0.439 243 HD1 PHE 26 2HD PHE 26 -9.204 0.118 3.538 244 HD2 PHE 26 1HD PHE 26 -8.424 3.418 0.966 245 HE1 PHE 26 2HE PHE 26 -10.321 1.621 5.134 246 HE2 PHE 26 1HE PHE 26 -9.540 4.927 2.559 247 HZ PHE 26 HZ PHE 26 -10.492 4.028 4.644 248 H ILE 27 H ILE 27 -8.906 1.653 -1.264 249 HA ILE 27 HA ILE 27 -11.337 2.945 -0.932 250 HB ILE 27 HB ILE 27 -9.755 2.676 -3.490 251 HG12 ILE 27 1HG1 ILE 27 -8.440 3.573 -1.605 252 HG13 ILE 27 2HG1 ILE 27 -8.721 4.793 -2.843 253 HG21 ILE 27 1HG2 ILE 27 -12.059 4.398 -2.686 254 HG22 ILE 27 2HG2 ILE 27 -10.869 5.001 -3.838 255 HG23 ILE 27 3HG2 ILE 27 -11.777 3.533 -4.198 256 HD11 ILE 27 3HD1 ILE 27 -8.998 5.798 -0.700 257 HD12 ILE 27 1HD1 ILE 27 -10.585 5.673 -1.459 258 HD13 ILE 27 2HD1 ILE 27 -10.119 4.534 -0.195 259 H MET 28 H MET 28 -10.561 0.060 -2.751 260 HA MET 28 HA MET 28 -12.931 -0.062 -4.292 261 HB2 MET 28 1HB MET 28 -10.816 -1.357 -4.720 262 HB3 MET 28 2HB MET 28 -11.249 -2.395 -3.368 263 HG2 MET 28 1HG MET 28 -13.523 -2.471 -4.848 264 HG3 MET 28 2HG MET 28 -12.293 -2.319 -6.100 265 HE1 MET 28 3HE MET 28 -12.396 -4.812 -2.603 266 HE2 MET 28 1HE MET 28 -13.828 -4.065 -3.312 267 HE3 MET 28 2HE MET 28 -13.497 -5.774 -3.589 268 H ILE 29 H ILE 29 -12.041 -1.410 -1.142 269 HA ILE 29 HA ILE 29 -14.492 -2.815 -0.769 270 HB ILE 29 HB ILE 29 -12.465 -1.923 1.287 271 HG12 ILE 29 1HG1 ILE 29 -12.785 -4.693 0.156 272 HG13 ILE 29 2HG1 ILE 29 -11.756 -3.501 -0.630 273 HG21 ILE 29 1HG2 ILE 29 -13.562 -4.038 2.427 274 HG22 ILE 29 2HG2 ILE 29 -14.253 -2.427 2.612 275 HG23 ILE 29 3HG2 ILE 29 -14.944 -3.553 1.445 276 HD11 ILE 29 3HD1 ILE 29 -11.365 -4.986 1.885 277 HD12 ILE 29 1HD1 ILE 29 -10.195 -4.472 0.671 278 HD13 ILE 29 2HD1 ILE 29 -10.804 -3.315 1.855 279 H VAL 30 H VAL 30 -13.333 0.395 0.063 280 HA VAL 30 HA VAL 30 -15.393 1.110 1.848 281 HB VAL 30 HB VAL 30 -13.792 2.919 0.032 282 HG11 VAL 30 1HG1 VAL 30 -15.532 4.249 0.791 283 HG12 VAL 30 2HG1 VAL 30 -15.616 3.425 2.350 284 HG13 VAL 30 3HG1 VAL 30 -14.283 4.527 2.003 285 HG21 VAL 30 3HG2 VAL 30 -12.890 3.057 2.694 286 HG22 VAL 30 1HG2 VAL 30 -13.019 1.345 2.292 287 HG23 VAL 30 2HG2 VAL 30 -12.034 2.414 1.293 288 H GLY 31 H GLY 31 -15.051 1.564 -1.660 289 HA2 GLY 31 1HA GLY 31 -17.315 3.070 -2.166 290 HA3 GLY 31 2HA GLY 31 -16.634 1.903 -3.289 291 H LYS 32 H LYS 32 -17.071 -0.371 -1.521 292 HA LYS 32 HA LYS 32 -19.761 -0.963 -2.305 293 HB2 LYS 32 1HB LYS 32 -17.765 -2.515 -0.648 294 HB3 LYS 32 2HB LYS 32 -19.329 -3.142 -1.151 295 HG2 LYS 32 1HG LYS 32 -18.305 -2.334 -3.528 296 HG3 LYS 32 2HG LYS 32 -16.843 -2.828 -2.669 297 HD2 LYS 32 1HD LYS 32 -19.161 -4.653 -2.481 298 HD3 LYS 32 2HD LYS 32 -18.388 -4.529 -4.062 299 HE2 LYS 32 1HE LYS 32 -16.463 -5.502 -3.349 300 HE3 LYS 32 2HE LYS 32 -16.602 -4.836 -1.722 301 HZ1 LYS 32 3HZ LYS 32 -18.266 -6.475 -1.200 302 HZ2 LYS 32 1HZ LYS 32 -16.884 -7.256 -1.785 303 HZ3 LYS 32 2HZ LYS 32 -18.240 -7.076 -2.781 304 H LYS 33 H LYS 33 -18.119 -0.656 0.840 305 HA LYS 33 HA LYS 33 -20.373 -1.055 2.450 306 HB2 LYS 33 1HB LYS 33 -17.941 0.648 3.031 307 HB3 LYS 33 2HB LYS 33 -19.082 0.045 4.227 308 HG2 LYS 33 1HG LYS 33 -17.292 -1.639 2.486 309 HG3 LYS 33 2HG LYS 33 -17.050 -1.286 4.198 310 HD2 LYS 33 1HD LYS 33 -19.555 -2.266 4.276 311 HD3 LYS 33 2HD LYS 33 -18.926 -3.155 2.886 312 HE2 LYS 33 1HE LYS 33 -18.117 -4.587 4.404 313 HE3 LYS 33 2HE LYS 33 -16.877 -3.366 4.686 314 HZ1 LYS 33 3HZ LYS 33 -19.275 -2.863 6.166 315 HZ2 LYS 33 1HZ LYS 33 -17.673 -2.948 6.704 316 HZ3 LYS 33 2HZ LYS 33 -18.590 -4.361 6.550 317 H LYS 34 H LYS 34 -18.999 1.921 1.105 318 HA LYS 34 HA LYS 34 -20.612 3.792 2.351 319 HB2 LYS 34 1HB LYS 34 -18.948 3.688 -0.038 320 HB3 LYS 34 2HB LYS 34 -20.324 4.766 -0.235 321 HG2 LYS 34 1HG LYS 34 -18.700 4.980 2.245 322 HG3 LYS 34 2HG LYS 34 -18.043 5.623 0.738 323 HD2 LYS 34 1HD LYS 34 -20.317 6.807 0.500 324 HD3 LYS 34 2HD LYS 34 -20.526 6.440 2.214 325 HE2 LYS 34 1HE LYS 34 -18.276 7.546 2.580 326 HE3 LYS 34 2HE LYS 34 -18.392 8.120 0.917 327 HZ1 LYS 34 3HZ LYS 34 -19.938 9.635 1.459 328 HZ2 LYS 34 1HZ LYS 34 -19.321 9.463 3.025 329 HZ3 LYS 34 2HZ LYS 34 -20.717 8.625 2.570 330 H LYS 35 H LYS 35 -21.368 1.586 -0.234 331 HA LYS 35 HA LYS 35 -23.692 2.838 -1.215 332 HB2 LYS 35 1HB LYS 35 -22.252 0.559 -1.831 333 HB3 LYS 35 2HB LYS 35 -23.784 -0.082 -1.251 334 HG2 LYS 35 1HG LYS 35 -24.164 0.142 -3.511 335 HG3 LYS 35 2HG LYS 35 -24.836 1.644 -2.870 336 HD2 LYS 35 1HD LYS 35 -23.557 2.648 -4.416 337 HD3 LYS 35 2HD LYS 35 -22.224 2.325 -3.306 338 HE2 LYS 35 1HE LYS 35 -21.771 0.220 -4.466 339 HE3 LYS 35 2HE LYS 35 -23.109 0.536 -5.570 340 HZ1 LYS 35 3HZ LYS 35 -21.699 2.768 -5.860 341 HZ2 LYS 35 1HZ LYS 35 -21.469 1.396 -6.823 342 HZ3 LYS 35 2HZ LYS 35 -20.445 1.689 -5.510 343 H LYS 36 H LYS 36 -25.916 1.836 -1.005 344 HA LYS 36 HA LYS 36 -26.581 1.720 1.816 345 HB2 LYS 36 1HB LYS 36 -28.145 2.031 -0.721 346 HB3 LYS 36 2HB LYS 36 -28.971 1.561 0.758 347 HG2 LYS 36 1HG LYS 36 -29.016 3.662 1.448 348 HG3 LYS 36 2HG LYS 36 -27.262 3.789 1.296 349 HD2 LYS 36 1HD LYS 36 -28.113 5.462 -0.117 350 HD3 LYS 36 2HD LYS 36 -27.673 4.138 -1.199 351 HE2 LYS 36 1HE LYS 36 -29.934 3.474 -1.448 352 HE3 LYS 36 2HE LYS 36 -30.455 4.499 -0.112 353 HZ1 LYS 36 3HZ LYS 36 -30.176 5.149 -2.859 354 HZ2 LYS 36 1HZ LYS 36 -29.233 6.186 -1.912 355 HZ3 LYS 36 2HZ LYS 36 -30.892 6.046 -1.617 Start of MODEL 17 1 H1 LYS 1 H LYS 1 26.346 7.288 14.873 2 HA LYS 1 HA LYS 1 26.756 8.525 12.248 3 HB2 LYS 1 1HB LYS 1 28.971 7.240 13.855 4 HB3 LYS 1 2HB LYS 1 29.116 7.910 12.235 5 HG2 LYS 1 1HG LYS 1 29.801 9.771 13.241 6 HG3 LYS 1 2HG LYS 1 28.107 10.019 13.667 7 HD2 LYS 1 1HD LYS 1 28.982 8.294 15.620 8 HD3 LYS 1 2HD LYS 1 30.386 9.332 15.357 9 HE2 LYS 1 1HE LYS 1 27.758 10.675 15.550 10 HE3 LYS 1 2HE LYS 1 28.383 9.952 17.032 11 HZ1 LYS 1 3HZ LYS 1 29.924 11.840 15.338 12 HZ2 LYS 1 1HZ LYS 1 30.349 11.259 16.870 13 HZ3 LYS 1 2HZ LYS 1 29.031 12.305 16.699 14 H LYS 2 H LYS 2 25.023 6.938 11.814 15 HA LYS 2 HA LYS 2 26.201 4.333 11.150 16 HB2 LYS 2 1HB LYS 2 24.925 3.890 13.131 17 HB3 LYS 2 2HB LYS 2 23.552 4.806 12.521 18 HG2 LYS 2 1HG LYS 2 23.085 2.458 12.354 19 HG3 LYS 2 2HG LYS 2 23.271 3.128 10.732 20 HD2 LYS 2 1HD LYS 2 24.740 1.497 10.344 21 HD3 LYS 2 2HD LYS 2 25.834 2.330 11.450 22 HE2 LYS 2 1HE LYS 2 24.435 1.028 13.266 23 HE3 LYS 2 2HE LYS 2 24.103 -0.050 11.911 24 HZ1 LYS 2 3HZ LYS 2 26.659 0.052 11.606 25 HZ2 LYS 2 1HZ LYS 2 26.002 -0.955 12.797 26 HZ3 LYS 2 2HZ LYS 2 26.666 0.539 13.226 27 H LYS 3 H LYS 3 25.973 3.896 9.064 28 HA LYS 3 HA LYS 3 23.990 5.396 7.515 29 HB2 LYS 3 1HB LYS 3 26.525 3.951 6.786 30 HB3 LYS 3 2HB LYS 3 25.348 4.398 5.558 31 HG2 LYS 3 1HG LYS 3 26.194 6.536 7.411 32 HG3 LYS 3 2HG LYS 3 27.399 5.956 6.259 33 HD2 LYS 3 1HD LYS 3 26.309 6.829 4.483 34 HD3 LYS 3 2HD LYS 3 24.717 6.468 5.150 35 HE2 LYS 3 1HE LYS 3 24.803 8.796 5.161 36 HE3 LYS 3 2HE LYS 3 25.213 8.358 6.818 37 HZ1 LYS 3 3HZ LYS 3 27.566 8.455 5.286 38 HZ2 LYS 3 1HZ LYS 3 27.125 9.422 6.603 39 HZ3 LYS 3 2HZ LYS 3 26.705 9.889 5.033 40 H LYS 4 H LYS 4 24.874 2.173 8.482 41 HA LYS 4 HA LYS 4 23.875 0.146 8.219 42 HB2 LYS 4 1HB LYS 4 21.577 2.048 7.929 43 HB3 LYS 4 2HB LYS 4 21.322 0.326 7.678 44 HG2 LYS 4 1HG LYS 4 22.708 0.395 10.046 45 HG3 LYS 4 2HG LYS 4 21.679 1.825 10.145 46 HD2 LYS 4 1HD LYS 4 19.708 0.512 9.781 47 HD3 LYS 4 2HD LYS 4 20.672 -0.924 9.429 48 HE2 LYS 4 1HE LYS 4 21.147 0.366 12.043 49 HE3 LYS 4 2HE LYS 4 19.581 -0.417 11.833 50 HZ1 LYS 4 3HZ LYS 4 20.504 -2.444 11.845 51 HZ2 LYS 4 1HZ LYS 4 21.808 -1.681 12.607 52 HZ3 LYS 4 2HZ LYS 4 21.853 -1.970 10.941 53 H ASP 5 H ASP 5 25.125 1.444 5.904 54 HA ASP 5 HA ASP 5 25.465 1.023 3.695 55 HB2 ASP 5 1HB ASP 5 24.456 -1.380 4.781 56 HB3 ASP 5 2HB ASP 5 23.625 -1.143 3.246 57 H LYS 6 H LYS 6 24.359 0.955 1.540 58 HA LYS 6 HA LYS 6 22.347 2.936 1.434 59 HB2 LYS 6 1HB LYS 6 24.102 1.722 -0.377 60 HB3 LYS 6 2HB LYS 6 22.494 1.345 -0.982 61 HG2 LYS 6 1HG LYS 6 23.183 3.357 -2.023 62 HG3 LYS 6 2HG LYS 6 21.960 3.787 -0.824 63 HD2 LYS 6 1HD LYS 6 23.555 5.381 -0.391 64 HD3 LYS 6 2HD LYS 6 24.057 4.110 0.727 65 HE2 LYS 6 1HE LYS 6 25.578 3.293 -1.145 66 HE3 LYS 6 2HE LYS 6 25.242 4.830 -1.940 67 HZ1 LYS 6 3HZ LYS 6 26.293 6.015 -0.254 68 HZ2 LYS 6 1HZ LYS 6 27.302 4.675 -0.475 69 HZ3 LYS 6 2HZ LYS 6 26.240 4.725 0.839 70 H TRP 7 H TRP 7 22.249 -0.529 1.565 71 HA TRP 7 HA TRP 7 19.771 -1.090 0.466 72 HB2 TRP 7 2HB TRP 7 21.353 -2.345 2.686 73 HB3 TRP 7 3HB TRP 7 19.740 -2.942 2.304 74 HD1 TRP 7 1HD TRP 7 23.267 -2.692 0.815 75 HE1 TRP 7 1HE TRP 7 23.457 -4.378 -1.120 76 HE3 TRP 7 3HE TRP 7 18.393 -4.217 0.586 77 HZ2 TRP 7 2HZ TRP 7 21.765 -6.123 -2.555 78 HZ3 TRP 7 3HZ TRP 7 17.761 -5.898 -1.096 79 HH2 TRP 7 2HH TRP 7 19.413 -6.828 -2.634 80 H ALA 8 H ALA 8 20.557 0.454 3.480 81 HA ALA 8 HA ALA 8 18.162 0.099 4.876 82 HB1 ALA 8 3HB ALA 8 18.797 2.156 6.099 83 HB2 ALA 8 1HB ALA 8 20.114 0.991 5.967 84 HB3 ALA 8 2HB ALA 8 20.089 2.416 4.929 85 H SER 9 H SER 9 18.987 2.233 2.244 86 HA SER 9 HA SER 9 16.704 3.940 2.538 87 HB2 SER 9 1HB SER 9 18.415 5.021 1.407 88 HB3 SER 9 2HB SER 9 18.849 3.586 0.479 89 HG SER 9 HG SER 9 17.657 4.393 -1.038 90 H LEU 10 H LEU 10 17.550 1.220 0.425 91 HA LEU 10 HA LEU 10 15.103 1.262 -1.027 92 HB2 LEU 10 1HB LEU 10 17.391 0.188 -1.617 93 HB3 LEU 10 2HB LEU 10 16.787 -1.189 -0.697 94 HG LEU 10 HG LEU 10 15.004 -0.157 -2.815 95 HD11 LEU 10 1HD1 LEU 10 16.215 -1.241 -4.601 96 HD12 LEU 10 2HD1 LEU 10 17.511 -1.688 -3.492 97 HD13 LEU 10 3HD1 LEU 10 17.222 0.010 -3.873 98 HD21 LEU 10 3HD2 LEU 10 15.796 -2.991 -2.611 99 HD22 LEU 10 1HD2 LEU 10 14.198 -2.264 -2.786 100 HD23 LEU 10 2HD2 LEU 10 14.976 -2.312 -1.204 101 H TRP 11 H TRP 11 16.151 -0.217 1.946 102 HA TRP 11 HA TRP 11 14.260 -2.236 2.231 103 HB2 TRP 11 2HB TRP 11 16.164 -1.962 3.752 104 HB3 TRP 11 3HB TRP 11 15.457 -0.478 4.383 105 HD1 TRP 11 1HD TRP 11 15.367 -4.215 4.789 106 HE1 TRP 11 1HE TRP 11 13.728 -4.838 6.673 107 HE3 TRP 11 3HE TRP 11 13.147 0.340 5.474 108 HZ2 TRP 11 2HZ TRP 11 11.755 -3.567 8.242 109 HZ3 TRP 11 3HZ TRP 11 11.392 0.551 7.186 110 HH2 TRP 11 2HH TRP 11 10.711 -1.364 8.540 111 H ASN 12 H ASN 12 14.001 1.222 2.819 112 HA ASN 12 HA ASN 12 11.556 1.230 4.194 113 HB2 ASN 12 1HB ASN 12 13.180 3.210 2.713 114 HB3 ASN 12 2HB ASN 12 11.467 3.591 2.866 115 HD21 ASN 12 2HD2 ASN 12 10.845 4.582 4.646 116 HD22 ASN 12 1HD2 ASN 12 11.738 4.671 6.121 117 H TRP 13 H TRP 13 12.312 1.019 0.784 118 HA TRP 13 HA TRP 13 9.813 1.639 -0.298 119 HB2 TRP 13 2HB TRP 13 11.978 1.301 -1.558 120 HB3 TRP 13 3HB TRP 13 11.719 -0.433 -1.394 121 HD1 TRP 13 1HD TRP 13 10.215 2.655 -3.128 122 HE1 TRP 13 1HE TRP 13 8.788 1.855 -5.114 123 HE3 TRP 13 3HE TRP 13 10.444 -2.387 -2.311 124 HZ2 TRP 13 2HZ TRP 13 7.879 -0.591 -6.193 125 HZ3 TRP 13 3HZ TRP 13 9.268 -3.887 -3.867 126 HH2 TRP 13 2HH TRP 13 8.013 -3.006 -5.766 127 H PHE 14 H PHE 14 10.862 -1.116 1.473 128 HA PHE 14 HA PHE 14 9.233 -3.144 0.559 129 HB2 PHE 14 2HB PHE 14 10.868 -3.588 2.262 130 HB3 PHE 14 3HB PHE 14 10.081 -2.479 3.380 131 HD1 PHE 14 1HD PHE 14 9.590 -5.668 1.550 132 HD2 PHE 14 2HD PHE 14 8.449 -3.241 4.856 133 HE1 PHE 14 1HE PHE 14 8.266 -7.532 2.458 134 HE2 PHE 14 2HE PHE 14 7.124 -5.102 5.769 135 HZ PHE 14 HZ PHE 14 7.031 -7.252 4.570 136 H ASP 15 H ASP 15 8.448 -0.884 3.205 137 HA ASP 15 HA ASP 15 5.810 -1.690 3.581 138 HB2 ASP 15 1HB ASP 15 7.047 -0.220 5.136 139 HB3 ASP 15 2HB ASP 15 6.953 1.086 3.957 140 H ILE 16 H ILE 16 7.180 0.642 1.323 141 HA ILE 16 HA ILE 16 4.708 1.673 0.392 142 HB ILE 16 HB ILE 16 7.462 1.643 -0.833 143 HG12 ILE 16 1HG1 ILE 16 7.093 4.177 -0.394 144 HG13 ILE 16 2HG1 ILE 16 5.796 3.644 0.671 145 HG21 ILE 16 1HG2 ILE 16 6.222 3.559 -2.231 146 HG22 ILE 16 2HG2 ILE 16 6.340 1.889 -2.783 147 HG23 ILE 16 3HG2 ILE 16 4.868 2.454 -1.993 148 HD11 ILE 16 3HD1 ILE 16 7.301 2.510 2.087 149 HD12 ILE 16 1HD1 ILE 16 8.619 2.656 0.924 150 HD13 ILE 16 2HD1 ILE 16 8.016 4.088 1.759 151 H THR 17 H THR 17 6.591 -1.142 -0.404 152 HA THR 17 HA THR 17 5.660 -1.763 -2.938 153 HB THR 17 HB THR 17 5.959 -3.965 -0.935 154 HG1 THR 17 1HG THR 17 8.343 -3.611 -1.471 155 HG21 THR 17 3HG2 THR 17 6.596 -3.508 -3.826 156 HG22 THR 17 1HG2 THR 17 5.662 -4.805 -3.082 157 HG23 THR 17 2HG2 THR 17 7.420 -4.780 -2.924 158 H ASN 18 H ASN 18 4.322 -2.944 0.156 159 HA ASN 18 HA ASN 18 1.974 -3.988 -1.121 160 HB2 ASN 18 1HB ASN 18 3.252 -4.475 1.269 161 HB3 ASN 18 2HB ASN 18 1.818 -3.588 1.779 162 HD21 ASN 18 2HD2 ASN 18 -0.101 -4.590 1.799 163 HD22 ASN 18 1HD2 ASN 18 -0.366 -6.216 1.277 164 H TRP 19 H TRP 19 2.884 -0.999 0.375 165 HA TRP 19 HA TRP 19 0.460 0.061 1.164 166 HB2 TRP 19 2HB TRP 19 2.555 1.217 1.576 167 HB3 TRP 19 3HB TRP 19 2.794 1.467 -0.152 168 HD1 TRP 19 1HD TRP 19 0.180 2.467 2.547 169 HE1 TRP 19 1HE TRP 19 -0.650 4.840 1.995 170 HE3 TRP 19 3HE TRP 19 2.777 3.249 -1.787 171 HZ2 TRP 19 2HZ TRP 19 -0.257 6.785 -0.012 172 HZ3 TRP 19 3HZ TRP 19 2.494 5.392 -2.962 173 HH2 TRP 19 2HH TRP 19 1.007 7.121 -2.092 174 H LEU 20 H LEU 20 1.909 0.075 -2.076 175 HA LEU 20 HA LEU 20 -0.146 1.556 -3.322 176 HB2 LEU 20 1HB LEU 20 2.260 0.203 -4.091 177 HB3 LEU 20 2HB LEU 20 0.968 -0.199 -5.221 178 HG LEU 20 HG LEU 20 0.984 2.628 -4.761 179 HD11 LEU 20 1HD1 LEU 20 3.141 3.248 -5.523 180 HD12 LEU 20 2HD1 LEU 20 3.595 1.570 -5.817 181 HD13 LEU 20 3HD1 LEU 20 3.377 2.148 -4.164 182 HD21 LEU 20 3HD2 LEU 20 0.016 1.592 -6.706 183 HD22 LEU 20 1HD2 LEU 20 1.573 0.897 -7.158 184 HD23 LEU 20 2HD2 LEU 20 1.338 2.644 -7.214 185 H TRP 21 H TRP 21 0.169 -1.794 -2.471 186 HA TRP 21 HA TRP 21 -1.993 -2.670 -4.170 187 HB2 TRP 21 2HB TRP 21 0.103 -3.922 -2.743 188 HB3 TRP 21 3HB TRP 21 -1.404 -4.541 -2.073 189 HD1 TRP 21 1HD TRP 21 0.724 -4.608 -5.225 190 HE1 TRP 21 1HE TRP 21 -0.215 -6.387 -6.830 191 HE3 TRP 21 3HE TRP 21 -3.617 -5.714 -2.762 192 HZ2 TRP 21 2HZ TRP 21 -2.494 -8.040 -7.028 193 HZ3 TRP 21 3HZ TRP 21 -5.122 -7.405 -3.727 194 HH2 TRP 21 2HH TRP 21 -4.571 -8.542 -5.815 195 H TYR 22 H TYR 22 -1.574 -1.585 -0.891 196 HA TYR 22 HA TYR 22 -4.107 -2.553 0.049 197 HB2 TYR 22 2HB TYR 22 -2.354 -2.252 1.663 198 HB3 TYR 22 3HB TYR 22 -2.133 -0.572 1.192 199 HD1 TYR 22 2HD TYR 22 -4.340 -2.926 2.965 200 HD2 TYR 22 1HD TYR 22 -3.561 1.155 2.043 201 HE1 TYR 22 2HE TYR 22 -5.939 -2.235 4.701 202 HE2 TYR 22 1HE TYR 22 -5.157 1.857 3.778 203 HH TYR 22 HH TYR 22 -6.821 -0.526 5.816 204 H ILE 23 H ILE 23 -2.846 0.528 -1.129 205 HA ILE 23 HA ILE 23 -5.088 2.117 -0.570 206 HB ILE 23 HB ILE 23 -4.249 3.642 -2.310 207 HG12 ILE 23 1HG1 ILE 23 -2.122 1.560 -2.833 208 HG13 ILE 23 2HG1 ILE 23 -3.526 1.797 -3.868 209 HG21 ILE 23 1HG2 ILE 23 -2.731 4.390 -0.863 210 HG22 ILE 23 2HG2 ILE 23 -3.008 2.910 0.054 211 HG23 ILE 23 3HG2 ILE 23 -1.692 2.988 -1.118 212 HD11 ILE 23 3HD1 ILE 23 -2.810 4.065 -4.347 213 HD12 ILE 23 1HD1 ILE 23 -1.426 3.866 -3.273 214 HD13 ILE 23 2HD1 ILE 23 -1.544 2.906 -4.748 215 H LYS 24 H LYS 24 -4.506 -0.233 -3.043 216 HA LYS 24 HA LYS 24 -6.571 0.671 -4.819 217 HB2 LYS 24 1HB LYS 24 -4.963 -1.874 -4.643 218 HB3 LYS 24 2HB LYS 24 -6.222 -1.636 -5.848 219 HG2 LYS 24 1HG LYS 24 -5.026 0.290 -6.737 220 HG3 LYS 24 2HG LYS 24 -3.770 0.082 -5.513 221 HD2 LYS 24 1HD LYS 24 -3.331 -2.186 -6.432 222 HD3 LYS 24 2HD LYS 24 -4.492 -1.848 -7.717 223 HE2 LYS 24 1HE LYS 24 -3.003 0.281 -8.074 224 HE3 LYS 24 2HE LYS 24 -1.785 -0.684 -7.241 225 HZ1 LYS 24 3HZ LYS 24 -2.110 -2.428 -8.903 226 HZ2 LYS 24 1HZ LYS 24 -1.615 -0.975 -9.617 227 HZ3 LYS 24 2HZ LYS 24 -3.232 -1.458 -9.716 228 H LEU 25 H LEU 25 -6.258 -2.239 -2.774 229 HA LEU 25 HA LEU 25 -8.929 -3.062 -3.060 230 HB2 LEU 25 1HB LEU 25 -8.480 -4.408 -1.001 231 HB3 LEU 25 2HB LEU 25 -7.330 -4.641 -2.317 232 HG LEU 25 HG LEU 25 -6.032 -2.761 -0.890 233 HD11 LEU 25 1HD1 LEU 25 -6.646 -2.592 1.237 234 HD12 LEU 25 2HD1 LEU 25 -6.729 -4.343 1.422 235 HD13 LEU 25 3HD1 LEU 25 -8.122 -3.455 0.804 236 HD21 LEU 25 3HD2 LEU 25 -5.259 -5.010 -1.695 237 HD22 LEU 25 1HD2 LEU 25 -5.917 -5.691 -0.207 238 HD23 LEU 25 2HD2 LEU 25 -4.610 -4.509 -0.132 239 H PHE 26 H PHE 26 -7.354 -0.954 -0.718 240 HA PHE 26 HA PHE 26 -9.329 -0.723 1.195 241 HB2 PHE 26 2HB PHE 26 -7.194 0.323 1.538 242 HB3 PHE 26 3HB PHE 26 -7.417 1.361 0.134 243 HD1 PHE 26 1HD PHE 26 -8.918 3.274 0.226 244 HD2 PHE 26 2HD PHE 26 -8.252 0.817 3.636 245 HE1 PHE 26 1HE PHE 26 -9.901 5.011 1.664 246 HE2 PHE 26 2HE PHE 26 -9.233 2.549 5.080 247 HZ PHE 26 HZ PHE 26 -10.060 4.649 4.095 248 H ILE 27 H ILE 27 -8.864 1.551 -1.516 249 HA ILE 27 HA ILE 27 -11.230 2.963 -1.203 250 HB ILE 27 HB ILE 27 -9.794 2.368 -3.794 251 HG12 ILE 27 1HG1 ILE 27 -8.360 3.406 -2.068 252 HG13 ILE 27 2HG1 ILE 27 -8.647 4.488 -3.425 253 HG21 ILE 27 1HG2 ILE 27 -12.160 3.951 -3.149 254 HG22 ILE 27 2HG2 ILE 27 -10.923 4.853 -4.024 255 HG23 ILE 27 3HG2 ILE 27 -11.578 3.363 -4.707 256 HD11 ILE 27 3HD1 ILE 27 -10.631 4.870 -1.379 257 HD12 ILE 27 1HD1 ILE 27 -9.002 5.034 -0.723 258 HD13 ILE 27 2HD1 ILE 27 -9.507 6.027 -2.091 259 H MET 28 H MET 28 -10.638 -0.102 -2.802 260 HA MET 28 HA MET 28 -13.097 -0.292 -4.177 261 HB2 MET 28 1HB MET 28 -11.123 -1.697 -4.678 262 HB3 MET 28 2HB MET 28 -11.340 -2.525 -3.141 263 HG2 MET 28 1HG MET 28 -13.805 -2.780 -4.305 264 HG3 MET 28 2HG MET 28 -12.710 -2.896 -5.682 265 HE1 MET 28 3HE MET 28 -14.122 -5.931 -3.028 266 HE2 MET 28 1HE MET 28 -13.101 -5.023 -1.911 267 HE3 MET 28 2HE MET 28 -14.336 -4.188 -2.854 268 H ILE 29 H ILE 29 -12.089 -1.226 -0.931 269 HA ILE 29 HA ILE 29 -14.561 -2.539 -0.303 270 HB ILE 29 HB ILE 29 -12.367 -1.575 1.536 271 HG12 ILE 29 1HG1 ILE 29 -12.887 -4.416 0.693 272 HG13 ILE 29 2HG1 ILE 29 -11.863 -3.355 -0.269 273 HG21 ILE 29 1HG2 ILE 29 -13.652 -3.690 2.747 274 HG22 ILE 29 2HG2 ILE 29 -13.850 -1.986 3.150 275 HG23 ILE 29 3HG2 ILE 29 -14.972 -2.763 2.035 276 HD11 ILE 29 3HD1 ILE 29 -11.111 -3.280 2.509 277 HD12 ILE 29 1HD1 ILE 29 -11.100 -4.928 1.884 278 HD13 ILE 29 2HD1 ILE 29 -10.145 -3.677 1.087 279 H VAL 30 H VAL 30 -13.157 0.644 0.292 280 HA VAL 30 HA VAL 30 -14.987 1.659 2.109 281 HB VAL 30 HB VAL 30 -13.644 3.168 -0.138 282 HG11 VAL 30 1HG1 VAL 30 -15.109 4.039 2.326 283 HG12 VAL 30 2HG1 VAL 30 -13.854 5.052 1.611 284 HG13 VAL 30 3HG1 VAL 30 -15.279 4.613 0.668 285 HG21 VAL 30 3HG2 VAL 30 -12.618 1.951 2.277 286 HG22 VAL 30 1HG2 VAL 30 -11.750 2.691 0.931 287 HG23 VAL 30 2HG2 VAL 30 -12.338 3.692 2.260 288 H GLY 31 H GLY 31 -15.163 1.590 -1.435 289 HA2 GLY 31 1HA GLY 31 -17.497 3.082 -1.767 290 HA3 GLY 31 2HA GLY 31 -16.941 1.829 -2.866 291 H LYS 32 H LYS 32 -17.154 -0.440 -1.393 292 HA LYS 32 HA LYS 32 -19.830 -1.131 -1.624 293 HB2 LYS 32 1HB LYS 32 -17.634 -2.378 0.030 294 HB3 LYS 32 2HB LYS 32 -19.216 -3.112 -0.187 295 HG2 LYS 32 1HG LYS 32 -18.660 -2.813 -2.731 296 HG3 LYS 32 2HG LYS 32 -16.998 -2.773 -2.139 297 HD2 LYS 32 1HD LYS 32 -17.027 -4.958 -1.503 298 HD3 LYS 32 2HD LYS 32 -18.747 -4.930 -1.103 299 HE2 LYS 32 1HE LYS 32 -18.574 -6.310 -2.998 300 HE3 LYS 32 2HE LYS 32 -19.168 -4.765 -3.603 301 HZ1 LYS 32 3HZ LYS 32 -17.156 -6.040 -4.719 302 HZ2 LYS 32 1HZ LYS 32 -16.278 -5.155 -3.574 303 HZ3 LYS 32 2HZ LYS 32 -17.250 -4.351 -4.701 304 H LYS 33 H LYS 33 -18.010 -0.383 1.345 305 HA LYS 33 HA LYS 33 -20.131 -0.652 3.141 306 HB2 LYS 33 1HB LYS 33 -17.650 1.065 3.250 307 HB3 LYS 33 2HB LYS 33 -18.767 0.902 4.599 308 HG2 LYS 33 1HG LYS 33 -17.296 -1.384 3.303 309 HG3 LYS 33 2HG LYS 33 -16.790 -0.561 4.781 310 HD2 LYS 33 1HD LYS 33 -19.120 -1.150 5.676 311 HD3 LYS 33 2HD LYS 33 -19.212 -2.277 4.319 312 HE2 LYS 33 1HE LYS 33 -17.257 -3.445 5.096 313 HE3 LYS 33 2HE LYS 33 -16.996 -2.250 6.365 314 HZ1 LYS 33 3HZ LYS 33 -18.022 -4.171 7.310 315 HZ2 LYS 33 1HZ LYS 33 -19.262 -4.157 6.158 316 HZ3 LYS 33 2HZ LYS 33 -19.163 -2.922 7.310 317 H LYS 34 H LYS 34 -19.113 2.076 1.165 318 HA LYS 34 HA LYS 34 -20.818 4.003 2.352 319 HB2 LYS 34 1HB LYS 34 -18.861 4.590 0.968 320 HB3 LYS 34 2HB LYS 34 -19.674 3.935 -0.446 321 HG2 LYS 34 1HG LYS 34 -21.506 5.730 0.542 322 HG3 LYS 34 2HG LYS 34 -19.959 6.525 0.840 323 HD2 LYS 34 1HD LYS 34 -19.441 6.650 -1.401 324 HD3 LYS 34 2HD LYS 34 -20.459 5.271 -1.822 325 HE2 LYS 34 1HE LYS 34 -21.870 7.607 -0.714 326 HE3 LYS 34 2HE LYS 34 -21.118 7.853 -2.290 327 HZ1 LYS 34 3HZ LYS 34 -22.917 6.889 -3.132 328 HZ2 LYS 34 1HZ LYS 34 -23.461 6.372 -1.616 329 HZ3 LYS 34 2HZ LYS 34 -22.363 5.426 -2.488 330 H LYS 35 H LYS 35 -21.274 1.581 -0.112 331 HA LYS 35 HA LYS 35 -23.757 2.650 -1.081 332 HB2 LYS 35 1HB LYS 35 -22.011 0.390 -1.692 333 HB3 LYS 35 2HB LYS 35 -23.718 -0.021 -1.797 334 HG2 LYS 35 1HG LYS 35 -23.949 2.070 -3.245 335 HG3 LYS 35 2HG LYS 35 -22.187 2.033 -3.353 336 HD2 LYS 35 1HD LYS 35 -22.239 -0.155 -4.344 337 HD3 LYS 35 2HD LYS 35 -23.979 -0.282 -4.079 338 HE2 LYS 35 1HE LYS 35 -23.118 2.074 -5.611 339 HE3 LYS 35 2HE LYS 35 -22.823 0.526 -6.400 340 HZ1 LYS 35 3HZ LYS 35 -25.453 0.930 -5.202 341 HZ2 LYS 35 1HZ LYS 35 -25.023 0.112 -6.620 342 HZ3 LYS 35 2HZ LYS 35 -25.112 1.801 -6.611 343 H LYS 36 H LYS 36 -25.791 1.372 -0.988 344 HA LYS 36 HA LYS 36 -26.151 0.243 1.708 345 HB2 LYS 36 1HB LYS 36 -27.862 1.959 -0.027 346 HB3 LYS 36 2HB LYS 36 -28.663 0.805 1.030 347 HG2 LYS 36 1HG LYS 36 -26.968 1.916 2.785 348 HG3 LYS 36 2HG LYS 36 -27.194 3.275 1.682 349 HD2 LYS 36 1HD LYS 36 -29.750 2.443 1.976 350 HD3 LYS 36 2HD LYS 36 -29.087 2.014 3.555 351 HE2 LYS 36 1HE LYS 36 -29.156 4.139 4.197 352 HE3 LYS 36 2HE LYS 36 -28.165 4.618 2.820 353 HZ1 LYS 36 3HZ LYS 36 -30.218 5.801 2.733 354 HZ2 LYS 36 1HZ LYS 36 -31.122 4.379 2.890 355 HZ3 LYS 36 2HZ LYS 36 -30.230 4.663 1.482 Start of MODEL 18 1 H1 LYS 1 H LYS 1 35.463 1.701 12.571 2 HA LYS 1 HA LYS 1 34.580 2.726 10.587 3 HB2 LYS 1 1HB LYS 1 36.581 0.668 10.435 4 HB3 LYS 1 2HB LYS 1 35.639 0.681 8.949 5 HG2 LYS 1 1HG LYS 1 37.241 2.191 8.394 6 HG3 LYS 1 2HG LYS 1 36.059 3.282 9.122 7 HD2 LYS 1 1HD LYS 1 37.824 3.981 10.337 8 HD3 LYS 1 2HD LYS 1 37.476 2.547 11.308 9 HE2 LYS 1 1HE LYS 1 39.049 1.313 9.716 10 HE3 LYS 1 2HE LYS 1 39.561 2.909 9.174 11 HZ1 LYS 1 3HZ LYS 1 40.712 1.618 11.181 12 HZ2 LYS 1 1HZ LYS 1 39.539 2.475 12.048 13 HZ3 LYS 1 2HZ LYS 1 40.654 3.306 11.088 14 H LYS 2 H LYS 2 32.649 2.832 9.672 15 HA LYS 2 HA LYS 2 31.480 0.419 8.504 16 HB2 LYS 2 1HB LYS 2 30.411 0.493 10.649 17 HB3 LYS 2 2HB LYS 2 30.101 2.217 10.499 18 HG2 LYS 2 1HG LYS 2 28.076 0.923 10.147 19 HG3 LYS 2 2HG LYS 2 28.537 1.790 8.680 20 HD2 LYS 2 1HD LYS 2 28.890 -0.107 7.527 21 HD3 LYS 2 2HD LYS 2 29.661 -0.911 8.896 22 HE2 LYS 2 1HE LYS 2 26.847 -0.505 9.384 23 HE3 LYS 2 2HE LYS 2 27.102 -1.377 7.874 24 HZ1 LYS 2 3HZ LYS 2 27.829 -2.163 10.613 25 HZ2 LYS 2 1HZ LYS 2 28.721 -2.771 9.310 26 HZ3 LYS 2 2HZ LYS 2 27.059 -3.066 9.407 27 H LYS 3 H LYS 3 31.221 0.913 6.434 28 HA LYS 3 HA LYS 3 30.747 3.661 5.615 29 HB2 LYS 3 1HB LYS 3 32.366 2.043 4.469 30 HB3 LYS 3 2HB LYS 3 30.939 1.258 3.807 31 HG2 LYS 3 1HG LYS 3 30.360 3.131 2.530 32 HG3 LYS 3 2HG LYS 3 31.427 4.195 3.449 33 HD2 LYS 3 1HD LYS 3 32.679 1.897 2.057 34 HD3 LYS 3 2HD LYS 3 32.076 3.216 1.050 35 HE2 LYS 3 1HE LYS 3 33.454 4.388 3.217 36 HE3 LYS 3 2HE LYS 3 34.470 3.083 2.609 37 HZ1 LYS 3 3HZ LYS 3 33.570 5.524 1.247 38 HZ2 LYS 3 1HZ LYS 3 33.877 4.140 0.323 39 HZ3 LYS 3 2HZ LYS 3 35.105 4.809 1.274 40 H LYS 4 H LYS 4 28.725 4.384 5.658 41 HA LYS 4 HA LYS 4 26.413 2.832 5.755 42 HB2 LYS 4 1HB LYS 4 27.034 5.687 5.270 43 HB3 LYS 4 2HB LYS 4 25.458 5.137 4.718 44 HG2 LYS 4 1HG LYS 4 25.224 4.146 7.088 45 HG3 LYS 4 2HG LYS 4 26.552 5.233 7.499 46 HD2 LYS 4 1HD LYS 4 24.694 6.739 6.001 47 HD3 LYS 4 2HD LYS 4 23.768 5.820 7.190 48 HE2 LYS 4 1HE LYS 4 26.180 7.510 7.836 49 HE3 LYS 4 2HE LYS 4 24.512 8.055 7.993 50 HZ1 LYS 4 3HZ LYS 4 24.106 6.534 9.702 51 HZ2 LYS 4 1HZ LYS 4 25.633 7.165 10.063 52 HZ3 LYS 4 2HZ LYS 4 25.496 5.630 9.369 53 H ASP 5 H ASP 5 24.635 2.821 4.131 54 HA ASP 5 HA ASP 5 25.531 2.892 1.352 55 HB2 ASP 5 1HB ASP 5 25.003 0.460 2.878 56 HB3 ASP 5 2HB ASP 5 24.018 0.572 1.422 57 H LYS 6 H LYS 6 23.905 3.265 -0.133 58 HA LYS 6 HA LYS 6 21.588 4.582 0.829 59 HB2 LYS 6 1HB LYS 6 22.726 3.901 -1.823 60 HB3 LYS 6 2HB LYS 6 20.994 4.205 -1.771 61 HG2 LYS 6 1HG LYS 6 23.005 6.116 -0.620 62 HG3 LYS 6 2HG LYS 6 22.478 6.180 -2.303 63 HD2 LYS 6 1HD LYS 6 20.288 6.020 -0.363 64 HD3 LYS 6 2HD LYS 6 21.271 7.480 -0.227 65 HE2 LYS 6 1HE LYS 6 20.475 8.324 -2.141 66 HE3 LYS 6 2HE LYS 6 20.611 6.781 -2.982 67 HZ1 LYS 6 3HZ LYS 6 18.551 6.126 -1.684 68 HZ2 LYS 6 1HZ LYS 6 18.340 7.250 -2.930 69 HZ3 LYS 6 2HZ LYS 6 18.374 7.769 -1.321 70 H TRP 7 H TRP 7 22.253 1.316 -0.130 71 HA TRP 7 HA TRP 7 19.749 0.364 -0.805 72 HB2 TRP 7 2HB TRP 7 22.266 -0.758 -0.016 73 HB3 TRP 7 3HB TRP 7 20.971 -1.620 0.812 74 HD1 TRP 7 1HD TRP 7 22.523 -1.129 -2.608 75 HE1 TRP 7 1HE TRP 7 21.431 -2.758 -4.274 76 HE3 TRP 7 3HE TRP 7 18.693 -2.835 0.317 77 HZ2 TRP 7 2HZ TRP 7 19.236 -4.531 -4.340 78 HZ3 TRP 7 3HZ TRP 7 17.142 -4.497 -0.623 79 HH2 TRP 7 2HH TRP 7 17.409 -5.326 -2.903 80 H ALA 8 H ALA 8 21.021 1.203 2.336 81 HA ALA 8 HA ALA 8 19.291 -0.108 4.039 82 HB1 ALA 8 3HB ALA 8 20.274 1.129 5.613 83 HB2 ALA 8 1HB ALA 8 21.222 1.839 4.307 84 HB3 ALA 8 2HB ALA 8 19.754 2.640 4.869 85 H SER 9 H SER 9 18.784 2.950 2.319 86 HA SER 9 HA SER 9 16.210 3.432 3.448 87 HB2 SER 9 1HB SER 9 16.113 5.322 2.062 88 HB3 SER 9 2HB SER 9 17.841 5.119 2.347 89 HG SER 9 HG SER 9 17.666 5.364 0.186 90 H LEU 10 H LEU 10 17.390 1.610 0.745 91 HA LEU 10 HA LEU 10 14.977 1.466 -0.733 92 HB2 LEU 10 1HB LEU 10 17.477 0.809 -1.304 93 HB3 LEU 10 2HB LEU 10 16.923 -0.780 -0.781 94 HG LEU 10 HG LEU 10 15.318 0.673 -2.825 95 HD11 LEU 10 1HD1 LEU 10 18.096 -0.263 -3.178 96 HD12 LEU 10 2HD1 LEU 10 17.190 0.971 -4.054 97 HD13 LEU 10 3HD1 LEU 10 16.941 -0.735 -4.425 98 HD21 LEU 10 3HD2 LEU 10 15.973 -2.157 -3.150 99 HD22 LEU 10 1HD2 LEU 10 14.409 -1.342 -3.167 100 HD23 LEU 10 2HD2 LEU 10 15.155 -1.784 -1.631 101 H TRP 11 H TRP 11 16.395 -0.554 1.795 102 HA TRP 11 HA TRP 11 14.648 -2.706 1.715 103 HB2 TRP 11 2HB TRP 11 16.234 -1.427 3.917 104 HB3 TRP 11 3HB TRP 11 15.126 -2.747 4.287 105 HD1 TRP 11 1HD TRP 11 18.568 -2.069 3.011 106 HE1 TRP 11 1HE TRP 11 19.706 -4.276 2.332 107 HE3 TRP 11 3HE TRP 11 14.498 -5.159 3.158 108 HZ2 TRP 11 2HZ TRP 11 18.974 -6.970 1.913 109 HZ3 TRP 11 3HZ TRP 11 14.801 -7.536 2.604 110 HH2 TRP 11 2HH TRP 11 16.993 -8.422 1.994 111 H ASN 12 H ASN 12 14.164 0.518 2.939 112 HA ASN 12 HA ASN 12 11.883 -0.008 4.533 113 HB2 ASN 12 1HB ASN 12 12.815 2.527 3.171 114 HB3 ASN 12 2HB ASN 12 11.475 2.455 4.312 115 HD21 ASN 12 2HD2 ASN 12 11.881 2.252 6.472 116 HD22 ASN 12 1HD2 ASN 12 13.465 2.362 7.154 117 H TRP 13 H TRP 13 12.362 0.479 1.124 118 HA TRP 13 HA TRP 13 9.781 1.206 0.346 119 HB2 TRP 13 2HB TRP 13 11.853 1.162 -1.100 120 HB3 TRP 13 3HB TRP 13 11.635 -0.580 -1.234 121 HD1 TRP 13 1HD TRP 13 9.959 2.722 -2.276 122 HE1 TRP 13 1HE TRP 13 8.404 2.245 -4.271 123 HE3 TRP 13 3HE TRP 13 10.329 -2.376 -2.396 124 HZ2 TRP 13 2HZ TRP 13 7.459 0.005 -5.706 125 HZ3 TRP 13 3HZ TRP 13 9.069 -3.610 -4.111 126 HH2 TRP 13 2HH TRP 13 7.663 -2.442 -5.731 127 H PHE 14 H PHE 14 11.001 -1.787 1.516 128 HA PHE 14 HA PHE 14 9.344 -3.667 0.367 129 HB2 PHE 14 2HB PHE 14 11.151 -4.268 1.894 130 HB3 PHE 14 3HB PHE 14 10.288 -3.530 3.239 131 HD1 PHE 14 2HD PHE 14 9.575 -6.031 0.557 132 HD2 PHE 14 1HD PHE 14 9.267 -4.987 4.672 133 HE1 PHE 14 2HE PHE 14 8.463 -8.177 1.015 134 HE2 PHE 14 1HE PHE 14 8.155 -7.132 5.137 135 HZ PHE 14 HZ PHE 14 7.750 -8.729 3.306 136 H ASP 15 H ASP 15 8.717 -1.937 3.425 137 HA ASP 15 HA ASP 15 6.126 -2.875 3.829 138 HB2 ASP 15 1HB ASP 15 7.552 -1.599 5.474 139 HB3 ASP 15 2HB ASP 15 7.117 -0.129 4.607 140 H ILE 16 H ILE 16 7.289 -0.139 1.938 141 HA ILE 16 HA ILE 16 4.740 0.970 1.380 142 HB ILE 16 HB ILE 16 7.397 1.238 -0.016 143 HG12 ILE 16 1HG1 ILE 16 7.019 3.641 0.895 144 HG13 ILE 16 2HG1 ILE 16 5.813 2.890 1.933 145 HG21 ILE 16 1HG2 ILE 16 6.027 3.335 -0.960 146 HG22 ILE 16 2HG2 ILE 16 6.133 1.794 -1.809 147 HG23 ILE 16 3HG2 ILE 16 4.713 2.166 -0.831 148 HD11 ILE 16 3HD1 ILE 16 7.436 1.566 3.016 149 HD12 ILE 16 1HD1 ILE 16 8.662 1.955 1.809 150 HD13 ILE 16 2HD1 ILE 16 8.099 3.198 2.928 151 H THR 17 H THR 17 6.605 -1.604 -0.036 152 HA THR 17 HA THR 17 5.503 -1.790 -2.569 153 HB THR 17 HB THR 17 5.983 -4.304 -1.021 154 HG1 THR 17 1HG THR 17 8.283 -3.900 -1.440 155 HG21 THR 17 3HG2 THR 17 6.400 -3.322 -3.819 156 HG22 THR 17 1HG2 THR 17 5.546 -4.758 -3.258 157 HG23 THR 17 2HG2 THR 17 7.308 -4.708 -3.219 158 H ASN 18 H ASN 18 4.252 -3.009 0.506 159 HA ASN 18 HA ASN 18 1.931 -4.183 -0.765 160 HB2 ASN 18 1HB ASN 18 3.252 -4.412 1.780 161 HB3 ASN 18 2HB ASN 18 1.544 -4.060 2.031 162 HD21 ASN 18 2HD2 ASN 18 3.854 -6.321 0.775 163 HD22 ASN 18 1HD2 ASN 18 2.759 -7.644 0.581 164 H TRP 19 H TRP 19 2.805 -1.223 0.811 165 HA TRP 19 HA TRP 19 0.363 -0.264 1.686 166 HB2 TRP 19 2HB TRP 19 2.462 0.907 2.111 167 HB3 TRP 19 3HB TRP 19 2.626 1.278 0.396 168 HD1 TRP 19 1HD TRP 19 0.713 3.006 -0.625 169 HE1 TRP 19 1HE TRP 19 -0.449 4.998 0.519 170 HE3 TRP 19 3HE TRP 19 1.633 1.790 4.254 171 HZ2 TRP 19 2HZ TRP 19 -0.914 5.930 3.142 172 HZ3 TRP 19 3HZ TRP 19 0.796 3.284 6.020 173 HH2 TRP 19 2HH TRP 19 -0.451 5.312 5.473 174 H LEU 20 H LEU 20 1.849 0.420 -1.490 175 HA LEU 20 HA LEU 20 -0.330 1.710 -2.627 176 HB2 LEU 20 1HB LEU 20 2.187 0.711 -3.483 177 HB3 LEU 20 2HB LEU 20 0.970 0.191 -4.646 178 HG LEU 20 HG LEU 20 0.588 2.966 -4.056 179 HD11 LEU 20 1HD1 LEU 20 3.021 2.792 -3.440 180 HD12 LEU 20 2HD1 LEU 20 2.645 3.922 -4.740 181 HD13 LEU 20 3HD1 LEU 20 3.333 2.343 -5.117 182 HD21 LEU 20 3HD2 LEU 20 0.708 3.185 -6.424 183 HD22 LEU 20 1HD2 LEU 20 -0.094 1.653 -6.080 184 HD23 LEU 20 2HD2 LEU 20 1.598 1.669 -6.580 185 H TRP 21 H TRP 21 0.219 -1.663 -2.070 186 HA TRP 21 HA TRP 21 -1.825 -2.555 -3.900 187 HB2 TRP 21 2HB TRP 21 0.318 -3.760 -2.524 188 HB3 TRP 21 3HB TRP 21 -1.146 -4.518 -1.901 189 HD1 TRP 21 1HD TRP 21 1.049 -4.348 -4.978 190 HE1 TRP 21 1HE TRP 21 0.210 -6.055 -6.712 191 HE3 TRP 21 3HE TRP 21 -3.358 -5.670 -2.750 192 HZ2 TRP 21 2HZ TRP 21 -2.024 -7.738 -7.087 193 HZ3 TRP 21 3HZ TRP 21 -4.789 -7.335 -3.863 194 HH2 TRP 21 2HH TRP 21 -4.134 -8.346 -5.985 195 H TYR 22 H TYR 22 -1.614 -1.623 -0.568 196 HA TYR 22 HA TYR 22 -4.127 -2.835 0.177 197 HB2 TYR 22 2HB TYR 22 -2.472 -2.674 1.900 198 HB3 TYR 22 3HB TYR 22 -2.253 -0.951 1.612 199 HD1 TYR 22 1HD TYR 22 -4.739 -3.452 2.790 200 HD2 TYR 22 2HD TYR 22 -3.510 0.621 2.808 201 HE1 TYR 22 1HE TYR 22 -6.425 -2.957 4.511 202 HE2 TYR 22 2HE TYR 22 -5.192 1.127 4.530 203 HH TYR 22 HH TYR 22 -7.723 -0.842 5.262 204 H ILE 23 H ILE 23 -2.922 0.405 -0.562 205 HA ILE 23 HA ILE 23 -5.269 1.826 0.044 206 HB ILE 23 HB ILE 23 -4.377 3.625 -1.327 207 HG12 ILE 23 1HG1 ILE 23 -2.288 1.626 -2.221 208 HG13 ILE 23 2HG1 ILE 23 -3.608 2.225 -3.218 209 HG21 ILE 23 1HG2 ILE 23 -2.786 4.136 0.170 210 HG22 ILE 23 2HG2 ILE 23 -3.233 2.603 0.918 211 HG23 ILE 23 3HG2 ILE 23 -1.852 2.681 -0.177 212 HD11 ILE 23 3HD1 ILE 23 -1.385 3.295 -3.615 213 HD12 ILE 23 1HD1 ILE 23 -2.700 4.412 -3.250 214 HD13 ILE 23 2HD1 ILE 23 -1.516 4.006 -2.007 215 H LYS 24 H LYS 24 -4.370 -0.104 -2.697 216 HA LYS 24 HA LYS 24 -6.283 0.943 -4.526 217 HB2 LYS 24 1HB LYS 24 -4.635 -1.566 -4.415 218 HB3 LYS 24 2HB LYS 24 -5.874 -1.365 -5.647 219 HG2 LYS 24 1HG LYS 24 -4.775 0.621 -6.480 220 HG3 LYS 24 2HG LYS 24 -3.570 0.520 -5.194 221 HD2 LYS 24 1HD LYS 24 -3.166 -1.876 -6.169 222 HD3 LYS 24 2HD LYS 24 -3.916 -1.195 -7.615 223 HE2 LYS 24 1HE LYS 24 -1.570 0.043 -6.184 224 HE3 LYS 24 2HE LYS 24 -1.421 -1.044 -7.564 225 HZ1 LYS 24 3HZ LYS 24 -1.532 1.575 -7.824 226 HZ2 LYS 24 1HZ LYS 24 -3.190 1.249 -7.880 227 HZ3 LYS 24 2HZ LYS 24 -2.149 0.525 -8.997 228 H LEU 25 H LEU 25 -6.213 -2.137 -2.723 229 HA LEU 25 HA LEU 25 -8.874 -2.841 -3.342 230 HB2 LEU 25 1HB LEU 25 -8.626 -4.443 -1.440 231 HB3 LEU 25 2HB LEU 25 -7.382 -4.556 -2.683 232 HG LEU 25 HG LEU 25 -6.159 -2.908 -0.931 233 HD11 LEU 25 1HD1 LEU 25 -7.222 -4.815 1.025 234 HD12 LEU 25 2HD1 LEU 25 -8.362 -3.574 0.507 235 HD13 LEU 25 3HD1 LEU 25 -6.811 -3.109 1.204 236 HD21 LEU 25 3HD2 LEU 25 -5.569 -5.231 -1.978 237 HD22 LEU 25 1HD2 LEU 25 -6.054 -5.840 -0.395 238 HD23 LEU 25 2HD2 LEU 25 -4.741 -4.670 -0.524 239 H PHE 26 H PHE 26 -7.429 -1.087 -0.652 240 HA PHE 26 HA PHE 26 -9.536 -1.018 1.128 241 HB2 PHE 26 2HB PHE 26 -7.394 -0.092 1.730 242 HB3 PHE 26 3HB PHE 26 -7.514 1.130 0.468 243 HD1 PHE 26 1HD PHE 26 -9.573 -0.058 3.350 244 HD2 PHE 26 2HD PHE 26 -7.987 3.247 1.187 245 HE1 PHE 26 1HE PHE 26 -10.616 1.488 4.954 246 HE2 PHE 26 2HE PHE 26 -9.028 4.798 2.788 247 HZ PHE 26 HZ PHE 26 -10.344 3.920 4.676 248 H ILE 27 H ILE 27 -8.821 1.502 -1.297 249 HA ILE 27 HA ILE 27 -11.196 2.933 -0.968 250 HB ILE 27 HB ILE 27 -9.516 2.692 -3.467 251 HG12 ILE 27 1HG1 ILE 27 -8.258 3.449 -1.475 252 HG13 ILE 27 2HG1 ILE 27 -8.404 4.715 -2.689 253 HG21 ILE 27 1HG2 ILE 27 -11.673 3.603 -4.007 254 HG22 ILE 27 2HG2 ILE 27 -11.583 4.726 -2.651 255 HG23 ILE 27 3HG2 ILE 27 -10.487 4.908 -4.020 256 HD11 ILE 27 3HD1 ILE 27 -10.185 5.755 -1.409 257 HD12 ILE 27 1HD1 ILE 27 -10.083 4.472 -0.205 258 HD13 ILE 27 2HD1 ILE 27 -8.726 5.575 -0.435 259 H MET 28 H MET 28 -10.505 0.042 -2.782 260 HA MET 28 HA MET 28 -12.804 0.111 -4.453 261 HB2 MET 28 1HB MET 28 -10.801 -1.249 -4.954 262 HB3 MET 28 2HB MET 28 -11.161 -2.268 -3.566 263 HG2 MET 28 1HG MET 28 -13.503 -2.225 -5.085 264 HG3 MET 28 2HG MET 28 -12.186 -2.390 -6.245 265 HE1 MET 28 3HE MET 28 -13.362 -3.583 -2.773 266 HE2 MET 28 1HE MET 28 -14.514 -4.372 -3.851 267 HE3 MET 28 2HE MET 28 -13.358 -5.340 -2.936 268 H ILE 29 H ILE 29 -12.150 -1.114 -1.236 269 HA ILE 29 HA ILE 29 -14.675 -2.500 -1.039 270 HB ILE 29 HB ILE 29 -12.648 -1.851 1.104 271 HG12 ILE 29 1HG1 ILE 29 -13.132 -4.541 -0.156 272 HG13 ILE 29 2HG1 ILE 29 -12.008 -3.390 -0.872 273 HG21 ILE 29 1HG2 ILE 29 -13.811 -3.660 2.363 274 HG22 ILE 29 2HG2 ILE 29 -14.786 -2.213 2.116 275 HG23 ILE 29 3HG2 ILE 29 -15.068 -3.645 1.126 276 HD11 ILE 29 3HD1 ILE 29 -10.782 -4.918 0.484 277 HD12 ILE 29 1HD1 ILE 29 -10.782 -3.346 1.285 278 HD13 ILE 29 2HD1 ILE 29 -11.846 -4.630 1.861 279 H VAL 30 H VAL 30 -13.286 0.540 0.086 280 HA VAL 30 HA VAL 30 -15.264 1.356 1.856 281 HB VAL 30 HB VAL 30 -13.703 3.125 -0.032 282 HG11 VAL 30 1HG1 VAL 30 -15.159 3.710 2.541 283 HG12 VAL 30 2HG1 VAL 30 -14.039 4.827 1.757 284 HG13 VAL 30 3HG1 VAL 30 -15.524 4.344 0.937 285 HG21 VAL 30 3HG2 VAL 30 -12.613 3.215 2.547 286 HG22 VAL 30 1HG2 VAL 30 -12.867 1.506 2.191 287 HG23 VAL 30 2HG2 VAL 30 -11.896 2.499 1.104 288 H GLY 31 H GLY 31 -15.093 1.779 -1.666 289 HA2 GLY 31 1HA GLY 31 -17.310 3.387 -2.061 290 HA3 GLY 31 2HA GLY 31 -16.744 2.184 -3.210 291 H LYS 32 H LYS 32 -17.189 -0.031 -1.330 292 HA LYS 32 HA LYS 32 -19.882 -0.607 -2.043 293 HB2 LYS 32 1HB LYS 32 -18.075 -2.063 -0.103 294 HB3 LYS 32 2HB LYS 32 -19.550 -2.699 -0.819 295 HG2 LYS 32 1HG LYS 32 -17.219 -1.820 -2.491 296 HG3 LYS 32 2HG LYS 32 -17.346 -3.451 -1.828 297 HD2 LYS 32 1HD LYS 32 -18.446 -3.907 -3.733 298 HD3 LYS 32 2HD LYS 32 -19.812 -3.119 -2.939 299 HE2 LYS 32 1HE LYS 32 -18.429 -0.998 -3.987 300 HE3 LYS 32 2HE LYS 32 -18.191 -2.245 -5.211 301 HZ1 LYS 32 3HZ LYS 32 -20.226 -0.772 -5.434 302 HZ2 LYS 32 1HZ LYS 32 -20.870 -1.627 -4.124 303 HZ3 LYS 32 2HZ LYS 32 -20.478 -2.442 -5.553 304 H LYS 33 H LYS 33 -18.299 -0.081 1.106 305 HA LYS 33 HA LYS 33 -20.526 -0.281 2.735 306 HB2 LYS 33 1HB LYS 33 -18.196 1.611 3.093 307 HB3 LYS 33 2HB LYS 33 -19.291 1.068 4.357 308 HG2 LYS 33 1HG LYS 33 -17.512 -0.767 2.770 309 HG3 LYS 33 2HG LYS 33 -17.086 -0.078 4.339 310 HD2 LYS 33 1HD LYS 33 -19.712 -1.391 4.241 311 HD3 LYS 33 2HD LYS 33 -18.338 -2.468 3.981 312 HE2 LYS 33 1HE LYS 33 -18.500 -0.531 6.279 313 HE3 LYS 33 2HE LYS 33 -19.094 -2.187 6.376 314 HZ1 LYS 33 3HZ LYS 33 -16.770 -1.805 7.201 315 HZ2 LYS 33 1HZ LYS 33 -16.314 -1.527 5.596 316 HZ3 LYS 33 2HZ LYS 33 -16.935 -3.033 6.051 317 H LYS 34 H LYS 34 -19.303 2.538 0.979 318 HA LYS 34 HA LYS 34 -21.108 4.428 2.002 319 HB2 LYS 34 1HB LYS 34 -18.986 4.741 0.532 320 HB3 LYS 34 2HB LYS 34 -20.091 4.540 -0.822 321 HG2 LYS 34 1HG LYS 34 -20.734 6.529 1.303 322 HG3 LYS 34 2HG LYS 34 -19.518 6.917 0.083 323 HD2 LYS 34 1HD LYS 34 -21.363 6.085 -1.580 324 HD3 LYS 34 2HD LYS 34 -22.449 6.439 -0.234 325 HE2 LYS 34 1HE LYS 34 -22.359 8.388 -1.592 326 HE3 LYS 34 2HE LYS 34 -21.420 8.727 -0.139 327 HZ1 LYS 34 3HZ LYS 34 -19.577 7.715 -1.846 328 HZ2 LYS 34 1HZ LYS 34 -19.838 9.361 -1.553 329 HZ3 LYS 34 2HZ LYS 34 -20.572 8.611 -2.881 330 H LYS 35 H LYS 35 -21.394 2.086 -0.592 331 HA LYS 35 HA LYS 35 -23.905 3.147 -1.537 332 HB2 LYS 35 1HB LYS 35 -22.321 2.027 -3.065 333 HB3 LYS 35 2HB LYS 35 -22.538 0.526 -2.174 334 HG2 LYS 35 1HG LYS 35 -25.043 0.830 -2.742 335 HG3 LYS 35 2HG LYS 35 -24.452 1.945 -3.977 336 HD2 LYS 35 1HD LYS 35 -22.826 -0.088 -4.493 337 HD3 LYS 35 2HD LYS 35 -24.150 -1.004 -3.770 338 HE2 LYS 35 1HE LYS 35 -24.603 -0.961 -6.080 339 HE3 LYS 35 2HE LYS 35 -25.684 0.236 -5.368 340 HZ1 LYS 35 3HZ LYS 35 -23.122 0.795 -6.761 341 HZ2 LYS 35 1HZ LYS 35 -24.090 1.962 -6.011 342 HZ3 LYS 35 2HZ LYS 35 -24.676 1.113 -7.351 343 H LYS 36 H LYS 36 -25.325 3.075 0.191 344 HA LYS 36 HA LYS 36 -26.863 2.197 1.618 345 HB2 LYS 36 1HB LYS 36 -27.342 0.992 -0.644 346 HB3 LYS 36 2HB LYS 36 -26.670 -0.419 0.162 347 HG2 LYS 36 1HG LYS 36 -28.460 -0.671 1.517 348 HG3 LYS 36 2HG LYS 36 -28.751 1.067 1.638 349 HD2 LYS 36 1HD LYS 36 -29.181 -0.084 -1.034 350 HD3 LYS 36 2HD LYS 36 -30.290 -0.659 0.213 351 HE2 LYS 36 1HE LYS 36 -31.146 1.323 -0.973 352 HE3 LYS 36 2HE LYS 36 -30.920 1.613 0.750 353 HZ1 LYS 36 3HZ LYS 36 -30.119 3.425 -0.744 354 HZ2 LYS 36 1HZ LYS 36 -28.917 2.371 -1.300 355 HZ3 LYS 36 2HZ LYS 36 -28.951 2.832 0.327 Start of MODEL 19 1 H1 LYS 1 H LYS 1 12.716 14.612 3.999 2 HA LYS 1 HA LYS 1 11.385 12.746 4.902 3 HB2 LYS 1 1HB LYS 1 12.156 13.054 2.271 4 HB3 LYS 1 2HB LYS 1 12.543 11.370 2.594 5 HG2 LYS 1 1HG LYS 1 10.409 10.781 2.495 6 HG3 LYS 1 2HG LYS 1 9.938 12.051 3.627 7 HD2 LYS 1 1HD LYS 1 9.237 13.408 1.983 8 HD3 LYS 1 2HD LYS 1 10.630 13.041 0.963 9 HE2 LYS 1 1HE LYS 1 9.602 11.021 0.185 10 HE3 LYS 1 2HE LYS 1 8.282 11.189 1.341 11 HZ1 LYS 1 3HZ LYS 1 8.546 12.313 -1.254 12 HZ2 LYS 1 1HZ LYS 1 8.298 13.529 -0.104 13 HZ3 LYS 1 2HZ LYS 1 7.190 12.260 -0.245 14 H LYS 2 H LYS 2 13.952 12.671 6.260 15 HA LYS 2 HA LYS 2 15.269 11.225 7.423 16 HB2 LYS 2 1HB LYS 2 13.221 9.122 6.717 17 HB3 LYS 2 2HB LYS 2 14.301 9.142 8.106 18 HG2 LYS 2 1HG LYS 2 12.097 11.136 7.626 19 HG3 LYS 2 2HG LYS 2 11.966 9.714 8.663 20 HD2 LYS 2 1HD LYS 2 14.264 11.507 9.161 21 HD3 LYS 2 2HD LYS 2 12.668 12.140 9.570 22 HE2 LYS 2 1HE LYS 2 13.286 9.380 10.447 23 HE3 LYS 2 2HE LYS 2 14.142 10.686 11.265 24 HZ1 LYS 2 3HZ LYS 2 11.365 9.926 11.423 25 HZ2 LYS 2 1HZ LYS 2 11.610 11.590 11.243 26 HZ3 LYS 2 2HZ LYS 2 12.322 10.766 12.536 27 H LYS 3 H LYS 3 16.307 11.646 5.032 28 HA LYS 3 HA LYS 3 16.859 9.054 3.785 29 HB2 LYS 3 1HB LYS 3 16.291 11.330 2.562 30 HB3 LYS 3 2HB LYS 3 18.014 11.616 2.769 31 HG2 LYS 3 1HG LYS 3 18.456 10.358 1.007 32 HG3 LYS 3 2HG LYS 3 17.650 8.981 1.759 33 HD2 LYS 3 1HD LYS 3 15.490 10.313 0.958 34 HD3 LYS 3 2HD LYS 3 16.633 10.929 -0.238 35 HE2 LYS 3 1HE LYS 3 16.442 9.048 -1.401 36 HE3 LYS 3 2HE LYS 3 17.011 8.122 -0.013 37 HZ1 LYS 3 3HZ LYS 3 14.915 7.550 0.582 38 HZ2 LYS 3 1HZ LYS 3 14.643 7.738 -1.077 39 HZ3 LYS 3 2HZ LYS 3 14.218 8.974 -0.004 40 H LYS 4 H LYS 4 17.940 9.059 6.215 41 HA LYS 4 HA LYS 4 20.527 10.169 6.439 42 HB2 LYS 4 1HB LYS 4 19.196 7.843 7.825 43 HB3 LYS 4 2HB LYS 4 20.813 8.400 8.236 44 HG2 LYS 4 1HG LYS 4 20.051 10.176 9.367 45 HG3 LYS 4 2HG LYS 4 18.775 10.505 8.191 46 HD2 LYS 4 1HD LYS 4 17.822 8.235 9.255 47 HD3 LYS 4 2HD LYS 4 18.725 8.848 10.643 48 HE2 LYS 4 1HE LYS 4 17.030 10.802 9.220 49 HE3 LYS 4 2HE LYS 4 16.180 9.531 10.098 50 HZ1 LYS 4 3HZ LYS 4 18.349 10.922 11.479 51 HZ2 LYS 4 1HZ LYS 4 16.903 10.297 12.094 52 HZ3 LYS 4 2HZ LYS 4 16.900 11.765 11.254 53 H ASP 5 H ASP 5 19.352 7.056 5.262 54 HA ASP 5 HA ASP 5 21.991 6.597 4.061 55 HB2 ASP 5 1HB ASP 5 20.440 4.743 5.833 56 HB3 ASP 5 2HB ASP 5 21.455 4.076 4.557 57 H LYS 6 H LYS 6 21.929 5.968 1.987 58 HA LYS 6 HA LYS 6 19.464 5.993 0.577 59 HB2 LYS 6 1HB LYS 6 21.959 6.523 -0.174 60 HB3 LYS 6 2HB LYS 6 21.915 4.833 -0.663 61 HG2 LYS 6 1HG LYS 6 21.246 5.867 -2.590 62 HG3 LYS 6 2HG LYS 6 19.687 5.531 -1.833 63 HD2 LYS 6 1HD LYS 6 19.528 7.759 -2.540 64 HD3 LYS 6 2HD LYS 6 19.881 7.870 -0.815 65 HE2 LYS 6 1HE LYS 6 21.975 8.698 -1.158 66 HE3 LYS 6 2HE LYS 6 22.187 7.828 -2.678 67 HZ1 LYS 6 3HZ LYS 6 20.824 9.409 -3.799 68 HZ2 LYS 6 1HZ LYS 6 21.989 10.271 -2.925 69 HZ3 LYS 6 2HZ LYS 6 20.401 10.175 -2.351 70 H TRP 7 H TRP 7 21.742 3.413 1.439 71 HA TRP 7 HA TRP 7 20.349 1.326 0.149 72 HB2 TRP 7 2HB TRP 7 21.675 -0.163 1.681 73 HB3 TRP 7 3HB TRP 7 22.642 0.987 0.762 74 HD1 TRP 7 1HD TRP 7 21.396 0.320 4.334 75 HE1 TRP 7 1HE TRP 7 22.894 1.621 5.973 76 HE3 TRP 7 3HE TRP 7 24.182 2.966 0.962 77 HZ2 TRP 7 2HZ TRP 7 24.981 3.518 5.852 78 HZ3 TRP 7 3HZ TRP 7 25.908 4.503 1.805 79 HH2 TRP 7 2HH TRP 7 26.298 4.772 4.200 80 H ALA 8 H ALA 8 19.899 2.922 3.195 81 HA ALA 8 HA ALA 8 18.400 0.943 4.527 82 HB1 ALA 8 3HB ALA 8 17.704 2.690 6.022 83 HB2 ALA 8 1HB ALA 8 19.402 2.937 5.613 84 HB3 ALA 8 2HB ALA 8 18.157 3.930 4.853 85 H SER 9 H SER 9 17.397 3.688 2.505 86 HA SER 9 HA SER 9 14.643 3.388 2.741 87 HB2 SER 9 1HB SER 9 16.339 5.043 1.312 88 HB3 SER 9 2HB SER 9 15.478 4.163 0.049 89 HG SER 9 HG SER 9 14.525 5.981 1.925 90 H LEU 10 H LEU 10 16.951 1.647 0.772 91 HA LEU 10 HA LEU 10 15.259 0.440 -1.071 92 HB2 LEU 10 1HB LEU 10 17.869 0.352 -0.697 93 HB3 LEU 10 2HB LEU 10 17.468 -1.149 0.134 94 HG LEU 10 HG LEU 10 16.318 -0.850 -2.562 95 HD11 LEU 10 1HD1 LEU 10 18.343 0.067 -3.222 96 HD12 LEU 10 2HD1 LEU 10 18.583 -1.658 -3.489 97 HD13 LEU 10 3HD1 LEU 10 19.268 -0.884 -2.060 98 HD21 LEU 10 3HD2 LEU 10 16.991 -3.193 -2.705 99 HD22 LEU 10 1HD2 LEU 10 16.068 -2.882 -1.234 100 HD23 LEU 10 2HD2 LEU 10 17.821 -3.055 -1.155 101 H TRP 11 H TRP 11 16.348 -0.889 2.055 102 HA TRP 11 HA TRP 11 14.679 -3.156 1.981 103 HB2 TRP 11 2HB TRP 11 16.112 -1.711 4.197 104 HB3 TRP 11 3HB TRP 11 15.064 -3.085 4.540 105 HD1 TRP 11 1HD TRP 11 17.953 -2.436 2.009 106 HE1 TRP 11 1HE TRP 11 19.479 -4.510 2.017 107 HE3 TRP 11 3HE TRP 11 15.441 -5.279 5.435 108 HZ2 TRP 11 2HZ TRP 11 19.600 -7.019 3.306 109 HZ3 TRP 11 3HZ TRP 11 16.328 -7.504 6.000 110 HH2 TRP 11 2HH TRP 11 18.364 -8.354 4.955 111 H ASN 12 H ASN 12 14.099 0.140 2.894 112 HA ASN 12 HA ASN 12 11.744 -0.329 4.430 113 HB2 ASN 12 1HB ASN 12 13.335 1.924 3.660 114 HB3 ASN 12 2HB ASN 12 11.649 2.269 3.288 115 HD21 ASN 12 2HD2 ASN 12 10.159 1.385 5.158 116 HD22 ASN 12 1HD2 ASN 12 10.626 1.918 6.734 117 H TRP 13 H TRP 13 12.430 -0.012 1.044 118 HA TRP 13 HA TRP 13 9.919 0.723 0.070 119 HB2 TRP 13 2HB TRP 13 12.074 0.562 -1.240 120 HB3 TRP 13 3HB TRP 13 11.824 -1.181 -1.297 121 HD1 TRP 13 1HD TRP 13 10.290 2.093 -2.611 122 HE1 TRP 13 1HE TRP 13 8.850 1.542 -4.672 123 HE3 TRP 13 3HE TRP 13 10.551 -3.010 -2.443 124 HZ2 TRP 13 2HZ TRP 13 7.944 -0.753 -6.044 125 HZ3 TRP 13 3HZ TRP 13 9.370 -4.309 -4.166 126 HH2 TRP 13 2HH TRP 13 8.093 -3.203 -5.928 127 H PHE 14 H PHE 14 10.996 -2.227 1.468 128 HA PHE 14 HA PHE 14 9.370 -4.133 0.318 129 HB2 PHE 14 2HB PHE 14 11.026 -4.771 1.941 130 HB3 PHE 14 3HB PHE 14 10.231 -3.828 3.198 131 HD1 PHE 14 2HD PHE 14 10.038 -6.870 1.148 132 HD2 PHE 14 1HD PHE 14 8.348 -4.682 4.385 133 HE1 PHE 14 2HE PHE 14 8.741 -8.854 1.808 134 HE2 PHE 14 1HE PHE 14 7.050 -6.664 5.050 135 HZ PHE 14 HZ PHE 14 7.244 -8.753 3.761 136 H ASP 15 H ASP 15 8.597 -2.231 3.236 137 HA ASP 15 HA ASP 15 5.967 -3.095 3.527 138 HB2 ASP 15 1HB ASP 15 7.007 -1.902 5.321 139 HB3 ASP 15 2HB ASP 15 7.288 -0.493 4.302 140 H ILE 16 H ILE 16 7.304 -0.487 1.572 141 HA ILE 16 HA ILE 16 4.820 0.640 0.799 142 HB ILE 16 HB ILE 16 7.562 0.782 -0.441 143 HG12 ILE 16 1HG1 ILE 16 7.185 3.236 0.318 144 HG13 ILE 16 2HG1 ILE 16 5.901 2.566 1.318 145 HG21 ILE 16 1HG2 ILE 16 6.301 2.851 -1.576 146 HG22 ILE 16 2HG2 ILE 16 6.422 1.266 -2.335 147 HG23 ILE 16 3HG2 ILE 16 4.955 1.717 -1.469 148 HD11 ILE 16 3HD1 ILE 16 7.423 1.271 2.566 149 HD12 ILE 16 1HD1 ILE 16 8.730 1.570 1.420 150 HD13 ILE 16 2HD1 ILE 16 8.128 2.881 2.435 151 H THR 17 H THR 17 6.709 -2.041 -0.362 152 HA THR 17 HA THR 17 5.758 -2.341 -2.946 153 HB THR 17 HB THR 17 6.086 -4.777 -1.242 154 HG1 THR 17 1HG THR 17 8.471 -4.317 -1.787 155 HG21 THR 17 3HG2 THR 17 5.777 -5.341 -3.474 156 HG22 THR 17 1HG2 THR 17 7.533 -5.324 -3.329 157 HG23 THR 17 2HG2 THR 17 6.696 -3.954 -4.057 158 H ASN 18 H ASN 18 4.407 -3.748 0.038 159 HA ASN 18 HA ASN 18 2.076 -4.721 -1.345 160 HB2 ASN 18 1HB ASN 18 2.913 -6.010 0.519 161 HB3 ASN 18 2HB ASN 18 2.791 -4.619 1.592 162 HD21 ASN 18 2HD2 ASN 18 0.960 -4.306 2.676 163 HD22 ASN 18 1HD2 ASN 18 -0.502 -5.192 2.437 164 H TRP 19 H TRP 19 2.971 -1.885 0.438 165 HA TRP 19 HA TRP 19 0.536 -0.914 1.305 166 HB2 TRP 19 2HB TRP 19 2.723 0.149 1.776 167 HB3 TRP 19 3HB TRP 19 2.792 0.709 0.107 168 HD1 TRP 19 1HD TRP 19 0.007 0.966 2.814 169 HE1 TRP 19 1HE TRP 19 -0.772 3.418 2.906 170 HE3 TRP 19 3HE TRP 19 3.149 2.945 -0.698 171 HZ2 TRP 19 2HZ TRP 19 -0.138 5.866 1.653 172 HZ3 TRP 19 3HZ TRP 19 2.998 5.351 -1.194 173 HH2 TRP 19 2HH TRP 19 1.389 6.779 -0.041 174 H LEU 20 H LEU 20 2.036 -0.509 -1.892 175 HA LEU 20 HA LEU 20 0.010 1.076 -3.017 176 HB2 LEU 20 1HB LEU 20 2.352 -0.367 -3.928 177 HB3 LEU 20 2HB LEU 20 1.042 -0.436 -5.105 178 HG LEU 20 HG LEU 20 1.402 2.259 -4.150 179 HD11 LEU 20 1HD1 LEU 20 3.827 0.914 -5.330 180 HD12 LEU 20 2HD1 LEU 20 3.695 1.623 -3.722 181 HD13 LEU 20 3HD1 LEU 20 3.614 2.655 -5.150 182 HD21 LEU 20 3HD2 LEU 20 1.139 2.773 -6.363 183 HD22 LEU 20 1HD2 LEU 20 0.401 1.171 -6.330 184 HD23 LEU 20 2HD2 LEU 20 2.055 1.368 -6.913 185 H TRP 21 H TRP 21 0.216 -2.330 -2.423 186 HA TRP 21 HA TRP 21 -1.929 -3.021 -4.228 187 HB2 TRP 21 2HB TRP 21 0.100 -4.430 -2.862 188 HB3 TRP 21 3HB TRP 21 -1.431 -5.043 -2.243 189 HD1 TRP 21 1HD TRP 21 0.697 -4.941 -5.402 190 HE1 TRP 21 1HE TRP 21 -0.272 -6.601 -7.114 191 HE3 TRP 21 3HE TRP 21 -3.641 -6.155 -2.985 192 HZ2 TRP 21 2HZ TRP 21 -2.573 -8.211 -7.401 193 HZ3 TRP 21 3HZ TRP 21 -5.172 -7.762 -4.046 194 HH2 TRP 21 2HH TRP 21 -4.647 -8.768 -6.209 195 H TYR 22 H TYR 22 -1.575 -2.110 -0.902 196 HA TYR 22 HA TYR 22 -4.160 -3.081 -0.087 197 HB2 TYR 22 2HB TYR 22 -2.134 -2.789 1.428 198 HB3 TYR 22 3HB TYR 22 -2.458 -1.061 1.370 199 HD1 TYR 22 1HD TYR 22 -4.640 -0.199 2.269 200 HD2 TYR 22 2HD TYR 22 -3.371 -4.218 2.851 201 HE1 TYR 22 1HE TYR 22 -6.253 -0.436 4.111 202 HE2 TYR 22 2HE TYR 22 -4.980 -4.466 4.693 203 HH TYR 22 HH TYR 22 -6.265 -2.181 6.333 204 H ILE 23 H ILE 23 -2.752 0.019 -1.015 205 HA ILE 23 HA ILE 23 -4.935 1.660 -0.384 206 HB ILE 23 HB ILE 23 -4.001 3.259 -2.013 207 HG12 ILE 23 1HG1 ILE 23 -1.946 1.122 -2.604 208 HG13 ILE 23 2HG1 ILE 23 -3.299 1.497 -3.666 209 HG21 ILE 23 1HG2 ILE 23 -2.823 2.291 0.325 210 HG22 ILE 23 2HG2 ILE 23 -1.496 2.488 -0.819 211 HG23 ILE 23 3HG2 ILE 23 -2.546 3.855 -0.441 212 HD11 ILE 23 3HD1 ILE 23 -0.847 3.067 -3.087 213 HD12 ILE 23 1HD1 ILE 23 -1.645 2.735 -4.625 214 HD13 ILE 23 2HD1 ILE 23 -2.326 3.925 -3.515 215 H LYS 24 H LYS 24 -4.398 -0.530 -3.010 216 HA LYS 24 HA LYS 24 -6.378 0.579 -4.760 217 HB2 LYS 24 1HB LYS 24 -4.870 -2.026 -4.706 218 HB3 LYS 24 2HB LYS 24 -6.130 -1.712 -5.892 219 HG2 LYS 24 1HG LYS 24 -4.901 0.190 -6.743 220 HG3 LYS 24 2HG LYS 24 -3.662 -0.029 -5.505 221 HD2 LYS 24 1HD LYS 24 -3.227 -2.299 -6.447 222 HD3 LYS 24 2HD LYS 24 -4.344 -1.916 -7.758 223 HE2 LYS 24 1HE LYS 24 -2.155 0.009 -7.203 224 HE3 LYS 24 2HE LYS 24 -1.721 -1.524 -7.957 225 HZ1 LYS 24 3HZ LYS 24 -3.984 -0.495 -9.254 226 HZ2 LYS 24 1HZ LYS 24 -2.433 -0.744 -9.884 227 HZ3 LYS 24 2HZ LYS 24 -2.827 0.735 -9.166 228 H LEU 25 H LEU 25 -6.266 -2.462 -2.895 229 HA LEU 25 HA LEU 25 -8.971 -3.120 -3.286 230 HB2 LEU 25 1HB LEU 25 -8.636 -4.607 -1.294 231 HB3 LEU 25 2HB LEU 25 -7.495 -4.836 -2.617 232 HG LEU 25 HG LEU 25 -6.116 -3.104 -1.055 233 HD11 LEU 25 1HD1 LEU 25 -6.717 -3.108 1.085 234 HD12 LEU 25 2HD1 LEU 25 -6.880 -4.863 1.107 235 HD13 LEU 25 3HD1 LEU 25 -8.230 -3.860 0.577 236 HD21 LEU 25 3HD2 LEU 25 -4.812 -5.021 -0.364 237 HD22 LEU 25 1HD2 LEU 25 -5.330 -5.223 -2.038 238 HD23 LEU 25 2HD2 LEU 25 -6.150 -6.105 -0.749 239 H PHE 26 H PHE 26 -7.341 -1.230 -0.806 240 HA PHE 26 HA PHE 26 -9.327 -1.020 1.098 241 HB2 PHE 26 2HB PHE 26 -7.151 -0.086 1.512 242 HB3 PHE 26 3HB PHE 26 -7.323 1.044 0.173 243 HD1 PHE 26 1HD PHE 26 -8.942 0.124 3.399 244 HD2 PHE 26 2HD PHE 26 -8.010 3.198 0.607 245 HE1 PHE 26 1HE PHE 26 -9.868 1.801 4.942 246 HE2 PHE 26 2HE PHE 26 -8.933 4.880 2.147 247 HZ PHE 26 HZ PHE 26 -9.863 4.183 4.318 248 H ILE 27 H ILE 27 -8.737 1.373 -1.484 249 HA ILE 27 HA ILE 27 -11.034 2.877 -1.118 250 HB ILE 27 HB ILE 27 -9.620 2.329 -3.731 251 HG12 ILE 27 1HG1 ILE 27 -8.140 3.217 -1.962 252 HG13 ILE 27 2HG1 ILE 27 -8.376 4.376 -3.264 253 HG21 ILE 27 1HG2 ILE 27 -10.610 4.857 -3.898 254 HG22 ILE 27 2HG2 ILE 27 -11.385 3.426 -4.575 255 HG23 ILE 27 3HG2 ILE 27 -11.886 4.037 -2.999 256 HD11 ILE 27 3HD1 ILE 27 -9.130 5.888 -1.842 257 HD12 ILE 27 1HD1 ILE 27 -10.348 4.774 -1.224 258 HD13 ILE 27 2HD1 ILE 27 -8.727 4.785 -0.527 259 H MET 28 H MET 28 -10.553 -0.027 -3.077 260 HA MET 28 HA MET 28 -13.017 -0.066 -4.386 261 HB2 MET 28 1HB MET 28 -11.098 -1.541 -4.931 262 HB3 MET 28 2HB MET 28 -11.402 -2.446 -3.455 263 HG2 MET 28 1HG MET 28 -13.845 -2.489 -4.687 264 HG3 MET 28 2HG MET 28 -12.727 -2.577 -6.045 265 HE1 MET 28 3HE MET 28 -13.885 -5.644 -3.025 266 HE2 MET 28 1HE MET 28 -12.682 -4.591 -2.279 267 HE3 MET 28 2HE MET 28 -14.150 -3.900 -2.971 268 H ILE 29 H ILE 29 -12.109 -1.127 -1.163 269 HA ILE 29 HA ILE 29 -14.681 -2.335 -0.645 270 HB ILE 29 HB ILE 29 -12.407 -1.727 1.248 271 HG12 ILE 29 1HG1 ILE 29 -13.187 -4.432 0.186 272 HG13 ILE 29 2HG1 ILE 29 -12.071 -3.396 -0.697 273 HG21 ILE 29 1HG2 ILE 29 -14.064 -2.020 2.757 274 HG22 ILE 29 2HG2 ILE 29 -15.092 -2.892 1.620 275 HG23 ILE 29 3HG2 ILE 29 -13.761 -3.725 2.423 276 HD11 ILE 29 3HD1 ILE 29 -10.436 -3.561 0.928 277 HD12 ILE 29 1HD1 ILE 29 -11.583 -4.048 2.176 278 HD13 ILE 29 2HD1 ILE 29 -11.134 -5.180 0.900 279 H VAL 30 H VAL 30 -13.011 0.666 0.129 280 HA VAL 30 HA VAL 30 -14.809 1.671 2.031 281 HB VAL 30 HB VAL 30 -13.190 3.277 0.051 282 HG11 VAL 30 1HG1 VAL 30 -14.451 4.901 1.004 283 HG12 VAL 30 2HG1 VAL 30 -14.787 3.946 2.449 284 HG13 VAL 30 3HG1 VAL 30 -13.235 4.765 2.273 285 HG21 VAL 30 3HG2 VAL 30 -11.361 2.544 1.077 286 HG22 VAL 30 1HG2 VAL 30 -11.968 3.203 2.596 287 HG23 VAL 30 2HG2 VAL 30 -12.337 1.538 2.147 288 H GLY 31 H GLY 31 -14.745 1.987 -1.502 289 HA2 GLY 31 1HA GLY 31 -16.817 3.801 -1.842 290 HA3 GLY 31 2HA GLY 31 -16.399 2.543 -2.994 291 H LYS 32 H LYS 32 -16.967 0.422 -0.996 292 HA LYS 32 HA LYS 32 -19.760 0.130 -1.598 293 HB2 LYS 32 1HB LYS 32 -17.773 -1.569 -0.095 294 HB3 LYS 32 2HB LYS 32 -19.472 -2.005 -0.223 295 HG2 LYS 32 1HG LYS 32 -19.137 -1.801 -2.754 296 HG3 LYS 32 2HG LYS 32 -17.411 -1.837 -2.389 297 HD2 LYS 32 1HD LYS 32 -18.196 -3.943 -0.939 298 HD3 LYS 32 2HD LYS 32 -19.447 -3.978 -2.185 299 HE2 LYS 32 1HE LYS 32 -16.819 -3.542 -3.316 300 HE3 LYS 32 2HE LYS 32 -16.877 -5.025 -2.364 301 HZ1 LYS 32 3HZ LYS 32 -18.997 -4.444 -4.323 302 HZ2 LYS 32 1HZ LYS 32 -18.478 -5.939 -3.723 303 HZ3 LYS 32 2HZ LYS 32 -17.525 -5.099 -4.839 304 H LYS 33 H LYS 33 -17.837 0.648 1.329 305 HA LYS 33 HA LYS 33 -20.045 0.562 3.119 306 HB2 LYS 33 1HB LYS 33 -17.390 1.937 3.547 307 HB3 LYS 33 2HB LYS 33 -18.509 1.384 4.787 308 HG2 LYS 33 1HG LYS 33 -17.057 -0.416 2.858 309 HG3 LYS 33 2HG LYS 33 -16.548 -0.084 4.516 310 HD2 LYS 33 1HD LYS 33 -19.292 -1.136 3.917 311 HD3 LYS 33 2HD LYS 33 -17.908 -2.223 4.053 312 HE2 LYS 33 1HE LYS 33 -17.457 -1.152 6.299 313 HE3 LYS 33 2HE LYS 33 -19.035 -0.380 6.150 314 HZ1 LYS 33 3HZ LYS 33 -20.128 -2.395 6.299 315 HZ2 LYS 33 1HZ LYS 33 -18.857 -2.600 7.396 316 HZ3 LYS 33 2HZ LYS 33 -18.768 -3.302 5.860 317 H LYS 34 H LYS 34 -18.365 3.154 1.418 318 HA LYS 34 HA LYS 34 -19.514 5.354 2.677 319 HB2 LYS 34 1HB LYS 34 -17.990 4.849 0.295 320 HB3 LYS 34 2HB LYS 34 -19.277 5.990 -0.069 321 HG2 LYS 34 1HG LYS 34 -18.460 7.584 1.391 322 HG3 LYS 34 2HG LYS 34 -17.551 6.401 2.334 323 HD2 LYS 34 1HD LYS 34 -15.794 6.384 0.874 324 HD3 LYS 34 2HD LYS 34 -16.810 6.760 -0.521 325 HE2 LYS 34 1HE LYS 34 -16.535 8.973 -0.268 326 HE3 LYS 34 2HE LYS 34 -16.702 8.888 1.484 327 HZ1 LYS 34 3HZ LYS 34 -14.251 7.749 0.490 328 HZ2 LYS 34 1HZ LYS 34 -14.501 8.836 1.761 329 HZ3 LYS 34 2HZ LYS 34 -14.405 9.403 0.170 330 H LYS 35 H LYS 35 -20.699 3.427 -0.046 331 HA LYS 35 HA LYS 35 -22.729 3.307 -1.071 332 HB2 LYS 35 1HB LYS 35 -23.757 4.273 1.603 333 HB3 LYS 35 2HB LYS 35 -24.690 3.436 0.369 334 HG2 LYS 35 1HG LYS 35 -23.510 1.415 0.717 335 HG3 LYS 35 2HG LYS 35 -22.292 2.219 1.710 336 HD2 LYS 35 1HD LYS 35 -23.544 1.405 3.407 337 HD3 LYS 35 2HD LYS 35 -24.514 2.847 3.095 338 HE2 LYS 35 1HE LYS 35 -25.082 0.324 1.599 339 HE3 LYS 35 2HE LYS 35 -25.653 0.503 3.257 340 HZ1 LYS 35 3HZ LYS 35 -26.265 2.839 1.821 341 HZ2 LYS 35 1HZ LYS 35 -27.327 1.727 2.527 342 HZ3 LYS 35 2HZ LYS 35 -26.811 1.508 0.932 343 H LYS 36 H LYS 36 -21.604 5.402 -2.045 344 HA LYS 36 HA LYS 36 -23.751 7.334 -2.312 345 HB2 LYS 36 1HB LYS 36 -22.070 8.035 -0.439 346 HB3 LYS 36 2HB LYS 36 -21.011 8.435 -1.786 347 HG2 LYS 36 1HG LYS 36 -22.005 10.450 -1.518 348 HG3 LYS 36 2HG LYS 36 -23.184 9.720 -2.610 349 HD2 LYS 36 1HD LYS 36 -23.966 8.914 -0.058 350 HD3 LYS 36 2HD LYS 36 -23.505 10.609 0.121 351 HE2 LYS 36 1HE LYS 36 -25.366 9.599 -2.022 352 HE3 LYS 36 2HE LYS 36 -25.915 10.208 -0.461 353 HZ1 LYS 36 3HZ LYS 36 -26.033 12.081 -1.744 354 HZ2 LYS 36 1HZ LYS 36 -24.701 11.665 -2.702 355 HZ3 LYS 36 2HZ LYS 36 -24.464 12.246 -1.131 Start of MODEL 20 1 H1 LYS 1 H LYS 1 16.540 14.402 1.648 2 HA LYS 1 HA LYS 1 18.321 15.820 1.631 3 HB2 LYS 1 1HB LYS 1 18.044 15.493 4.617 4 HB3 LYS 1 2HB LYS 1 19.251 16.540 3.882 5 HG2 LYS 1 1HG LYS 1 17.765 18.151 3.491 6 HG3 LYS 1 2HG LYS 1 16.573 17.016 2.853 7 HD2 LYS 1 1HD LYS 1 15.828 16.464 5.067 8 HD3 LYS 1 2HD LYS 1 17.134 17.404 5.791 9 HE2 LYS 1 1HE LYS 1 15.033 18.614 4.008 10 HE3 LYS 1 2HE LYS 1 14.853 18.498 5.758 11 HZ1 LYS 1 3HZ LYS 1 16.003 20.366 5.928 12 HZ2 LYS 1 1HZ LYS 1 16.269 20.416 4.258 13 HZ3 LYS 1 2HZ LYS 1 17.356 19.599 5.264 14 H LYS 2 H LYS 2 18.982 13.505 4.267 15 HA LYS 2 HA LYS 2 21.647 13.052 3.166 16 HB2 LYS 2 1HB LYS 2 20.483 11.866 5.684 17 HB3 LYS 2 2HB LYS 2 22.180 11.998 5.243 18 HG2 LYS 2 1HG LYS 2 20.359 14.328 5.818 19 HG3 LYS 2 2HG LYS 2 21.506 13.623 6.960 20 HD2 LYS 2 1HD LYS 2 22.944 14.134 4.594 21 HD3 LYS 2 2HD LYS 2 21.960 15.566 4.901 22 HE2 LYS 2 1HE LYS 2 23.934 15.981 6.072 23 HE3 LYS 2 2HE LYS 2 22.823 15.399 7.310 24 HZ1 LYS 2 3HZ LYS 2 23.969 13.120 6.473 25 HZ2 LYS 2 1HZ LYS 2 24.492 14.017 7.808 26 HZ3 LYS 2 2HZ LYS 2 25.255 14.207 6.311 27 H LYS 3 H LYS 3 22.250 11.247 2.131 28 HA LYS 3 HA LYS 3 20.225 9.153 1.769 29 HB2 LYS 3 1HB LYS 3 22.683 9.823 0.140 30 HB3 LYS 3 2HB LYS 3 21.587 8.492 -0.206 31 HG2 LYS 3 1HG LYS 3 19.750 10.216 -0.385 32 HG3 LYS 3 2HG LYS 3 21.023 11.439 -0.347 33 HD2 LYS 3 1HD LYS 3 22.028 10.511 -2.339 34 HD3 LYS 3 2HD LYS 3 20.868 9.181 -2.344 35 HE2 LYS 3 1HE LYS 3 19.294 11.462 -2.271 36 HE3 LYS 3 2HE LYS 3 20.608 11.882 -3.370 37 HZ1 LYS 3 3HZ LYS 3 18.859 9.491 -3.591 38 HZ2 LYS 3 1HZ LYS 3 20.129 9.878 -4.640 39 HZ3 LYS 3 2HZ LYS 3 18.768 10.878 -4.556 40 H LYS 4 H LYS 4 21.774 9.259 4.169 41 HA LYS 4 HA LYS 4 24.000 7.556 4.155 42 HB2 LYS 4 1HB LYS 4 22.067 8.496 6.218 43 HB3 LYS 4 2HB LYS 4 23.089 7.122 6.620 44 HG2 LYS 4 1HG LYS 4 25.025 8.367 6.546 45 HG3 LYS 4 2HG LYS 4 24.320 9.595 5.494 46 HD2 LYS 4 1HD LYS 4 24.529 10.596 7.628 47 HD3 LYS 4 2HD LYS 4 22.818 10.210 7.434 48 HE2 LYS 4 1HE LYS 4 23.038 8.268 8.821 49 HE3 LYS 4 2HE LYS 4 24.790 8.445 8.874 50 HZ1 LYS 4 3HZ LYS 4 22.743 9.845 10.377 51 HZ2 LYS 4 1HZ LYS 4 24.019 10.808 9.824 52 HZ3 LYS 4 2HZ LYS 4 24.335 9.468 10.806 53 H ASP 5 H ASP 5 24.253 5.379 4.313 54 HA ASP 5 HA ASP 5 23.761 3.172 4.047 55 HB2 ASP 5 1HB ASP 5 21.435 4.056 5.755 56 HB3 ASP 5 2HB ASP 5 21.694 2.373 5.303 57 H LYS 6 H LYS 6 23.504 3.183 1.815 58 HA LYS 6 HA LYS 6 21.156 3.948 0.462 59 HB2 LYS 6 1HB LYS 6 23.706 2.992 -0.235 60 HB3 LYS 6 2HB LYS 6 22.565 1.846 -0.927 61 HG2 LYS 6 1HG LYS 6 22.982 3.484 -2.578 62 HG3 LYS 6 2HG LYS 6 21.367 3.805 -1.942 63 HD2 LYS 6 1HD LYS 6 22.210 5.925 -1.900 64 HD3 LYS 6 2HD LYS 6 22.730 5.380 -0.304 65 HE2 LYS 6 1HE LYS 6 24.842 4.568 -1.683 66 HE3 LYS 6 2HE LYS 6 24.319 5.853 -2.771 67 HZ1 LYS 6 3HZ LYS 6 25.949 6.329 -0.795 68 HZ2 LYS 6 1HZ LYS 6 24.511 6.455 0.089 69 HZ3 LYS 6 2HZ LYS 6 24.776 7.460 -1.246 70 H TRP 7 H TRP 7 22.151 0.940 1.951 71 HA TRP 7 HA TRP 7 20.198 -0.734 0.788 72 HB2 TRP 7 2HB TRP 7 21.423 -1.065 3.530 73 HB3 TRP 7 3HB TRP 7 20.767 -2.327 2.490 74 HD1 TRP 7 1HD TRP 7 22.280 -3.129 0.423 75 HE1 TRP 7 1HE TRP 7 24.807 -2.926 -0.025 76 HE3 TRP 7 3HE TRP 7 23.434 0.459 3.878 77 HZ2 TRP 7 2HZ TRP 7 26.999 -1.442 0.956 78 HZ3 TRP 7 3HZ TRP 7 25.768 1.215 4.060 79 HH2 TRP 7 2HH TRP 7 27.512 0.281 2.628 80 H ALA 8 H ALA 8 20.238 1.112 3.818 81 HA ALA 8 HA ALA 8 17.808 0.268 4.870 82 HB1 ALA 8 3HB ALA 8 18.816 3.086 5.129 83 HB2 ALA 8 1HB ALA 8 17.896 2.135 6.296 84 HB3 ALA 8 2HB ALA 8 19.579 1.729 5.958 85 H SER 9 H SER 9 18.497 2.737 2.453 86 HA SER 9 HA SER 9 15.897 3.847 2.349 87 HB2 SER 9 1HB SER 9 17.627 3.812 -0.087 88 HB3 SER 9 2HB SER 9 16.677 5.131 0.597 89 HG SER 9 HG SER 9 18.558 5.750 1.320 90 H LEU 10 H LEU 10 17.494 1.318 0.443 91 HA LEU 10 HA LEU 10 15.309 0.847 -1.294 92 HB2 LEU 10 1HB LEU 10 17.870 0.109 -1.329 93 HB3 LEU 10 2HB LEU 10 17.179 -1.362 -0.646 94 HG LEU 10 HG LEU 10 15.902 -0.312 -3.101 95 HD11 LEU 10 1HD1 LEU 10 18.526 -0.179 -3.244 96 HD12 LEU 10 2HD1 LEU 10 17.569 -0.818 -4.580 97 HD13 LEU 10 3HD1 LEU 10 18.376 -1.923 -3.466 98 HD21 LEU 10 3HD2 LEU 10 15.403 -2.462 -1.727 99 HD22 LEU 10 1HD2 LEU 10 16.806 -3.112 -2.576 100 HD23 LEU 10 2HD2 LEU 10 15.411 -2.535 -3.490 101 H TRP 11 H TRP 11 16.275 -0.512 1.805 102 HA TRP 11 HA TRP 11 14.458 -2.664 1.857 103 HB2 TRP 11 2HB TRP 11 16.428 -2.358 3.387 104 HB3 TRP 11 3HB TRP 11 15.499 -1.131 4.244 105 HD1 TRP 11 1HD TRP 11 14.001 -1.967 6.161 106 HE1 TRP 11 1HE TRP 11 13.226 -4.272 7.003 107 HE3 TRP 11 3HE TRP 11 15.816 -4.869 2.365 108 HZ2 TRP 11 2HZ TRP 11 13.366 -6.965 6.169 109 HZ3 TRP 11 3HZ TRP 11 15.454 -7.302 2.463 110 HH2 TRP 11 2HH TRP 11 14.254 -8.325 4.327 111 H ASN 12 H ASN 12 14.177 0.703 2.874 112 HA ASN 12 HA ASN 12 11.748 0.566 4.227 113 HB2 ASN 12 1HB ASN 12 13.415 2.645 3.066 114 HB3 ASN 12 2HB ASN 12 11.703 3.024 2.912 115 HD21 ASN 12 2HD2 ASN 12 13.966 1.726 5.319 116 HD22 ASN 12 1HD2 ASN 12 13.325 2.619 6.651 117 H TRP 13 H TRP 13 12.444 0.583 0.808 118 HA TRP 13 HA TRP 13 9.940 1.281 -0.206 119 HB2 TRP 13 2HB TRP 13 12.090 0.984 -1.508 120 HB3 TRP 13 3HB TRP 13 11.803 -0.752 -1.441 121 HD1 TRP 13 1HD TRP 13 10.326 2.455 -2.970 122 HE1 TRP 13 1HE TRP 13 8.868 1.794 -4.984 123 HE3 TRP 13 3HE TRP 13 10.494 -2.630 -2.460 124 HZ2 TRP 13 2HZ TRP 13 7.913 -0.570 -6.197 125 HZ3 TRP 13 3HZ TRP 13 9.282 -4.019 -4.088 126 HH2 TRP 13 2HH TRP 13 8.017 -3.008 -5.917 127 H PHE 14 H PHE 14 10.985 -1.584 1.387 128 HA PHE 14 HA PHE 14 9.315 -3.537 0.388 129 HB2 PHE 14 2HB PHE 14 10.973 -4.096 2.034 130 HB3 PHE 14 3HB PHE 14 10.217 -3.047 3.229 131 HD1 PHE 14 2HD PHE 14 9.527 -6.055 1.151 132 HD2 PHE 14 1HD PHE 14 8.733 -3.938 4.756 133 HE1 PHE 14 2HE PHE 14 8.197 -7.956 1.970 134 HE2 PHE 14 1HE PHE 14 7.402 -5.836 5.582 135 HZ PHE 14 HZ PHE 14 7.131 -7.848 4.187 136 H ASP 15 H ASP 15 8.603 -1.424 3.174 137 HA ASP 15 HA ASP 15 5.963 -2.220 3.549 138 HB2 ASP 15 1HB ASP 15 7.248 -0.852 5.160 139 HB3 ASP 15 2HB ASP 15 7.141 0.520 4.060 140 H ILE 16 H ILE 16 7.323 0.214 1.397 141 HA ILE 16 HA ILE 16 4.848 1.327 0.572 142 HB ILE 16 HB ILE 16 7.580 1.336 -0.701 143 HG12 ILE 16 1HG1 ILE 16 7.249 3.844 -0.114 144 HG13 ILE 16 2HG1 ILE 16 5.963 3.268 0.940 145 HG21 ILE 16 1HG2 ILE 16 4.976 2.240 -1.768 146 HG22 ILE 16 2HG2 ILE 16 6.339 3.340 -1.967 147 HG23 ILE 16 3HG2 ILE 16 6.426 1.702 -2.614 148 HD11 ILE 16 3HD1 ILE 16 8.203 3.626 2.016 149 HD12 ILE 16 1HD1 ILE 16 7.477 2.039 2.267 150 HD13 ILE 16 2HD1 ILE 16 8.777 2.238 1.093 151 H THR 17 H THR 17 6.683 -1.459 -0.415 152 HA THR 17 HA THR 17 5.695 -1.923 -2.962 153 HB THR 17 HB THR 17 6.016 -4.246 -1.107 154 HG1 THR 17 1HG THR 17 8.357 -3.943 -1.473 155 HG21 THR 17 3HG2 THR 17 5.683 -4.935 -3.304 156 HG22 THR 17 1HG2 THR 17 7.440 -4.945 -3.158 157 HG23 THR 17 2HG2 THR 17 6.629 -3.605 -3.970 158 H ASN 18 H ASN 18 4.362 -3.063 0.141 159 HA ASN 18 HA ASN 18 1.998 -4.104 -1.148 160 HB2 ASN 18 1HB ASN 18 3.286 -4.805 1.122 161 HB3 ASN 18 2HB ASN 18 2.030 -3.771 1.795 162 HD21 ASN 18 2HD2 ASN 18 1.849 -6.202 2.630 163 HD22 ASN 18 1HD2 ASN 18 0.620 -7.109 1.821 164 H TRP 19 H TRP 19 2.973 -1.183 0.439 165 HA TRP 19 HA TRP 19 0.571 -0.125 1.302 166 HB2 TRP 19 2HB TRP 19 2.743 0.951 1.695 167 HB3 TRP 19 3HB TRP 19 2.860 1.352 -0.015 168 HD1 TRP 19 1HD TRP 19 0.154 1.982 2.714 169 HE1 TRP 19 1HE TRP 19 -0.599 4.435 2.515 170 HE3 TRP 19 3HE TRP 19 3.131 3.431 -1.181 171 HZ2 TRP 19 2HZ TRP 19 -0.009 6.686 0.918 172 HZ3 TRP 19 3HZ TRP 19 2.976 5.752 -1.985 173 HH2 TRP 19 2HH TRP 19 1.436 7.344 -0.956 174 H LEU 20 H LEU 20 2.011 0.091 -1.942 175 HA LEU 20 HA LEU 20 -0.061 1.611 -3.096 176 HB2 LEU 20 1HB LEU 20 2.334 0.272 -3.961 177 HB3 LEU 20 2HB LEU 20 1.028 -0.004 -5.112 178 HG LEU 20 HG LEU 20 0.866 2.695 -4.706 179 HD11 LEU 20 1HD1 LEU 20 3.307 3.386 -5.101 180 HD12 LEU 20 2HD1 LEU 20 3.716 1.828 -4.381 181 HD13 LEU 20 3HD1 LEU 20 2.800 3.015 -3.452 182 HD21 LEU 20 3HD2 LEU 20 2.350 2.680 -6.885 183 HD22 LEU 20 1HD2 LEU 20 0.715 2.019 -6.884 184 HD23 LEU 20 2HD2 LEU 20 2.102 0.937 -6.763 185 H TRP 21 H TRP 21 0.262 -1.775 -2.415 186 HA TRP 21 HA TRP 21 -1.894 -2.575 -4.159 187 HB2 TRP 21 2HB TRP 21 0.215 -3.893 -2.878 188 HB3 TRP 21 3HB TRP 21 -1.238 -4.497 -2.088 189 HD1 TRP 21 1HD TRP 21 0.458 -4.377 -5.531 190 HE1 TRP 21 1HE TRP 21 -0.567 -6.219 -7.008 191 HE3 TRP 21 3HE TRP 21 -3.290 -5.922 -2.418 192 HZ2 TRP 21 2HZ TRP 21 -2.685 -8.079 -6.872 193 HZ3 TRP 21 3HZ TRP 21 -4.773 -7.737 -3.166 194 HH2 TRP 21 2HH TRP 21 -4.475 -8.792 -5.348 195 H TYR 22 H TYR 22 -1.512 -1.557 -0.870 196 HA TYR 22 HA TYR 22 -4.034 -2.601 0.037 197 HB2 TYR 22 2HB TYR 22 -2.180 -2.291 1.607 198 HB3 TYR 22 3HB TYR 22 -2.182 -0.560 1.288 199 HD1 TYR 22 1HD TYR 22 -4.128 0.820 2.026 200 HD2 TYR 22 2HD TYR 22 -3.698 -3.259 3.156 201 HE1 TYR 22 1HE TYR 22 -5.756 1.157 3.839 202 HE2 TYR 22 2HE TYR 22 -5.325 -2.934 4.972 203 HH TYR 22 HH TYR 22 -6.103 -0.760 6.377 204 H ILE 23 H ILE 23 -2.789 0.535 -1.014 205 HA ILE 23 HA ILE 23 -5.040 2.088 -0.415 206 HB ILE 23 HB ILE 23 -4.212 3.667 -2.118 207 HG12 ILE 23 1HG1 ILE 23 -2.045 1.637 -2.671 208 HG13 ILE 23 2HG1 ILE 23 -3.455 1.845 -3.703 209 HG21 ILE 23 1HG2 ILE 23 -1.643 3.173 -1.007 210 HG22 ILE 23 2HG2 ILE 23 -2.846 4.365 -0.517 211 HG23 ILE 23 3HG2 ILE 23 -2.861 2.752 0.197 212 HD11 ILE 23 3HD1 ILE 23 -2.267 4.389 -3.270 213 HD12 ILE 23 1HD1 ILE 23 -1.014 3.250 -3.762 214 HD13 ILE 23 2HD1 ILE 23 -2.439 3.485 -4.775 215 H LYS 24 H LYS 24 -4.454 -0.188 -2.952 216 HA LYS 24 HA LYS 24 -6.511 0.763 -4.710 217 HB2 LYS 24 1HB LYS 24 -4.934 -1.807 -4.583 218 HB3 LYS 24 2HB LYS 24 -6.172 -1.513 -5.798 219 HG2 LYS 24 1HG LYS 24 -4.935 0.400 -6.632 220 HG3 LYS 24 2HG LYS 24 -3.712 0.174 -5.380 221 HD2 LYS 24 1HD LYS 24 -3.237 -2.073 -6.312 222 HD3 LYS 24 2HD LYS 24 -4.384 -1.742 -7.612 223 HE2 LYS 24 1HE LYS 24 -2.523 -1.047 -8.688 224 HE3 LYS 24 2HE LYS 24 -2.839 0.445 -7.804 225 HZ1 LYS 24 3HZ LYS 24 -0.497 -0.671 -7.742 226 HZ2 LYS 24 1HZ LYS 24 -1.196 -1.624 -6.531 227 HZ3 LYS 24 2HZ LYS 24 -1.135 0.057 -6.355 228 H LEU 25 H LEU 25 -6.226 -2.195 -2.730 229 HA LEU 25 HA LEU 25 -8.905 -2.984 -3.040 230 HB2 LEU 25 1HB LEU 25 -8.464 -4.382 -1.004 231 HB3 LEU 25 2HB LEU 25 -7.343 -4.610 -2.345 232 HG LEU 25 HG LEU 25 -6.010 -2.762 -0.873 233 HD11 LEU 25 1HD1 LEU 25 -7.259 -4.594 1.159 234 HD12 LEU 25 2HD1 LEU 25 -7.820 -2.947 0.872 235 HD13 LEU 25 3HD1 LEU 25 -6.175 -3.232 1.439 236 HD21 LEU 25 3HD2 LEU 25 -4.531 -4.505 -0.315 237 HD22 LEU 25 1HD2 LEU 25 -5.291 -5.001 -1.827 238 HD23 LEU 25 2HD2 LEU 25 -5.823 -5.707 -0.300 239 H PHE 26 H PHE 26 -7.310 -0.937 -0.667 240 HA PHE 26 HA PHE 26 -9.263 -0.744 1.273 241 HB2 PHE 26 2HB PHE 26 -7.098 0.292 1.570 242 HB3 PHE 26 3HB PHE 26 -7.401 1.399 0.235 243 HD1 PHE 26 2HD PHE 26 -8.893 3.290 0.498 244 HD2 PHE 26 1HD PHE 26 -8.110 0.633 3.730 245 HE1 PHE 26 2HE PHE 26 -9.843 4.928 2.069 246 HE2 PHE 26 1HE PHE 26 -9.060 2.266 5.306 247 HZ PHE 26 HZ PHE 26 -9.927 4.416 4.477 248 H ILE 27 H ILE 27 -8.846 1.513 -1.460 249 HA ILE 27 HA ILE 27 -11.228 2.921 -1.068 250 HB ILE 27 HB ILE 27 -9.768 2.446 -3.669 251 HG12 ILE 27 1HG1 ILE 27 -8.360 3.440 -1.897 252 HG13 ILE 27 2HG1 ILE 27 -8.657 4.567 -3.216 253 HG21 ILE 27 1HG2 ILE 27 -12.099 4.098 -2.925 254 HG22 ILE 27 2HG2 ILE 27 -10.889 4.862 -3.955 255 HG23 ILE 27 3HG2 ILE 27 -11.671 3.369 -4.472 256 HD11 ILE 27 3HD1 ILE 27 -10.105 4.548 -0.579 257 HD12 ILE 27 1HD1 ILE 27 -8.798 5.643 -1.029 258 HD13 ILE 27 2HD1 ILE 27 -10.336 5.704 -1.890 259 H MET 28 H MET 28 -10.616 -0.152 -2.570 260 HA MET 28 HA MET 28 -13.052 -0.314 -4.039 261 HB2 MET 28 1HB MET 28 -11.016 -1.671 -4.527 262 HB3 MET 28 2HB MET 28 -11.310 -2.577 -3.049 263 HG2 MET 28 1HG MET 28 -13.715 -2.766 -4.328 264 HG3 MET 28 2HG MET 28 -12.572 -2.790 -5.668 265 HE1 MET 28 3HE MET 28 -13.377 -3.932 -2.276 266 HE2 MET 28 1HE MET 28 -13.473 -5.686 -2.425 267 HE3 MET 28 2HE MET 28 -11.960 -4.925 -1.932 268 H ILE 29 H ILE 29 -12.043 -1.276 -0.807 269 HA ILE 29 HA ILE 29 -14.484 -2.668 -0.217 270 HB ILE 29 HB ILE 29 -12.329 -1.674 1.652 271 HG12 ILE 29 1HG1 ILE 29 -12.767 -4.515 0.761 272 HG13 ILE 29 2HG1 ILE 29 -11.764 -3.412 -0.176 273 HG21 ILE 29 1HG2 ILE 29 -14.398 -2.012 2.845 274 HG22 ILE 29 2HG2 ILE 29 -14.605 -3.598 2.104 275 HG23 ILE 29 3HG2 ILE 29 -13.280 -3.319 3.234 276 HD11 ILE 29 3HD1 ILE 29 -10.807 -5.017 1.728 277 HD12 ILE 29 1HD1 ILE 29 -10.082 -3.462 1.321 278 HD13 ILE 29 2HD1 ILE 29 -11.169 -3.594 2.704 279 H VAL 30 H VAL 30 -13.181 0.548 0.402 280 HA VAL 30 HA VAL 30 -15.144 1.442 2.200 281 HB VAL 30 HB VAL 30 -13.649 3.127 0.188 282 HG11 VAL 30 1HG1 VAL 30 -15.526 4.261 1.280 283 HG12 VAL 30 2HG1 VAL 30 -14.860 3.839 2.858 284 HG13 VAL 30 3HG1 VAL 30 -13.976 4.931 1.791 285 HG21 VAL 30 3HG2 VAL 30 -12.492 3.268 2.770 286 HG22 VAL 30 1HG2 VAL 30 -12.650 1.563 2.346 287 HG23 VAL 30 2HG2 VAL 30 -11.772 2.660 1.279 288 H GLY 31 H GLY 31 -14.959 1.673 -1.343 289 HA2 GLY 31 1HA GLY 31 -17.216 3.199 -1.830 290 HA3 GLY 31 2HA GLY 31 -16.609 1.957 -2.916 291 H LYS 32 H LYS 32 -17.004 -0.219 -1.042 292 HA LYS 32 HA LYS 32 -19.664 -0.899 -1.714 293 HB2 LYS 32 1HB LYS 32 -17.855 -2.178 0.344 294 HB3 LYS 32 2HB LYS 32 -19.295 -2.903 -0.360 295 HG2 LYS 32 1HG LYS 32 -17.184 -2.005 -2.231 296 HG3 LYS 32 2HG LYS 32 -16.843 -3.426 -1.240 297 HD2 LYS 32 1HD LYS 32 -19.497 -3.607 -2.308 298 HD3 LYS 32 2HD LYS 32 -18.351 -3.293 -3.614 299 HE2 LYS 32 1HE LYS 32 -16.956 -5.171 -2.702 300 HE3 LYS 32 2HE LYS 32 -18.289 -5.543 -1.612 301 HZ1 LYS 32 3HZ LYS 32 -19.711 -5.918 -3.518 302 HZ2 LYS 32 1HZ LYS 32 -18.342 -6.908 -3.612 303 HZ3 LYS 32 2HZ LYS 32 -18.452 -5.524 -4.577 304 H LYS 33 H LYS 33 -18.157 0.103 1.337 305 HA LYS 33 HA LYS 33 -20.459 -0.131 2.938 306 HB2 LYS 33 1HB LYS 33 -18.185 1.814 3.341 307 HB3 LYS 33 2HB LYS 33 -19.271 1.181 4.571 308 HG2 LYS 33 1HG LYS 33 -17.285 -0.447 2.997 309 HG3 LYS 33 2HG LYS 33 -17.060 0.132 4.649 310 HD2 LYS 33 1HD LYS 33 -19.322 -1.662 3.780 311 HD3 LYS 33 2HD LYS 33 -17.811 -2.245 4.481 312 HE2 LYS 33 1HE LYS 33 -18.316 -0.684 6.434 313 HE3 LYS 33 2HE LYS 33 -19.941 -0.554 5.761 314 HZ1 LYS 33 3HZ LYS 33 -18.707 -3.176 6.356 315 HZ2 LYS 33 1HZ LYS 33 -20.343 -2.812 6.121 316 HZ3 LYS 33 2HZ LYS 33 -19.559 -2.305 7.531 317 H LYS 34 H LYS 34 -19.199 2.506 0.972 318 HA LYS 34 HA LYS 34 -20.827 4.580 1.844 319 HB2 LYS 34 1HB LYS 34 -18.931 4.836 0.270 320 HB3 LYS 34 2HB LYS 34 -19.890 4.064 -0.986 321 HG2 LYS 34 1HG LYS 34 -21.323 5.878 -1.185 322 HG3 LYS 34 2HG LYS 34 -20.889 6.520 0.401 323 HD2 LYS 34 1HD LYS 34 -19.556 7.919 -0.733 324 HD3 LYS 34 2HD LYS 34 -18.485 6.527 -0.916 325 HE2 LYS 34 1HE LYS 34 -19.073 6.189 -3.097 326 HE3 LYS 34 2HE LYS 34 -20.694 6.848 -2.875 327 HZ1 LYS 34 3HZ LYS 34 -18.464 8.131 -3.929 328 HZ2 LYS 34 1HZ LYS 34 -18.793 8.880 -2.449 329 HZ3 LYS 34 2HZ LYS 34 -19.993 8.790 -3.636 330 H LYS 35 H LYS 35 -21.532 1.908 -0.305 331 HA LYS 35 HA LYS 35 -24.065 2.977 -1.163 332 HB2 LYS 35 1HB LYS 35 -22.669 0.336 -1.523 333 HB3 LYS 35 2HB LYS 35 -24.340 0.558 -2.025 334 HG2 LYS 35 1HG LYS 35 -23.523 2.525 -3.393 335 HG3 LYS 35 2HG LYS 35 -21.889 1.942 -3.068 336 HD2 LYS 35 1HD LYS 35 -22.161 0.059 -4.353 337 HD3 LYS 35 2HD LYS 35 -23.910 0.022 -4.120 338 HE2 LYS 35 1HE LYS 35 -23.609 0.645 -6.363 339 HE3 LYS 35 2HE LYS 35 -23.977 2.149 -5.518 340 HZ1 LYS 35 3HZ LYS 35 -21.189 1.698 -5.513 341 HZ2 LYS 35 1HZ LYS 35 -22.054 2.991 -6.178 342 HZ3 LYS 35 2HZ LYS 35 -21.769 1.601 -7.099 343 H LYS 36 H LYS 36 -25.294 3.337 0.669 344 HA LYS 36 HA LYS 36 -25.700 1.283 2.639 345 HB2 LYS 36 1HB LYS 36 -25.917 3.974 2.720 346 HB3 LYS 36 2HB LYS 36 -27.605 3.546 2.475 347 HG2 LYS 36 1HG LYS 36 -27.388 1.998 4.443 348 HG3 LYS 36 2HG LYS 36 -25.805 2.722 4.738 349 HD2 LYS 36 1HD LYS 36 -26.955 4.175 6.012 350 HD3 LYS 36 2HD LYS 36 -27.367 4.935 4.473 351 HE2 LYS 36 1HE LYS 36 -29.298 3.107 4.541 352 HE3 LYS 36 2HE LYS 36 -29.021 3.252 6.276 353 HZ1 LYS 36 3HZ LYS 36 -29.702 5.431 6.293 354 HZ2 LYS 36 1HZ LYS 36 -30.724 4.790 5.107 355 HZ3 LYS 36 2HZ LYS 36 -29.361 5.682 4.655
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