NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
604636 | 2n05 | 25515 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET -4 H1 MET -4 -21.055 -4.992 -10.645 2 H2 MET -4 H2 MET -4 -21.401 -3.443 -10.067 3 H3 MET -4 H3 MET -4 -20.802 -4.617 -9.017 4 HA MET -4 HA MET -4 -18.708 -4.654 -10.094 5 HB2 MET -4 HB2 MET -4 -18.218 -3.139 -11.973 6 HB3 MET -4 HB3 MET -4 -19.468 -4.303 -12.382 7 HG2 MET -4 HG2 MET -4 -21.178 -2.616 -12.088 8 HG3 MET -4 HG3 MET -4 -19.967 -1.446 -11.573 9 HE1 MET -4 HE1 MET -4 -17.557 -1.948 -13.563 10 HE2 MET -4 HE2 MET -4 -18.187 -0.358 -13.137 11 HE3 MET -4 HE3 MET -4 -17.952 -0.789 -14.830 12 H ARG -3 H ARG -3 -19.883 -3.458 -7.843 13 HA ARG -3 HA ARG -3 -19.469 -1.936 -6.227 14 HB2 ARG -3 HB2 ARG -3 -17.130 -1.302 -8.011 15 HB3 ARG -3 HB3 ARG -3 -17.408 -0.470 -6.489 16 HG2 ARG -3 HG2 ARG -3 -17.215 -2.553 -5.276 17 HG3 ARG -3 HG3 ARG -3 -17.028 -3.440 -6.793 18 HD2 ARG -3 HD2 ARG -3 -14.976 -2.267 -7.269 19 HD3 ARG -3 HD3 ARG -3 -15.177 -1.262 -5.836 20 HE ARG -3 HE ARG -3 -15.065 -3.556 -4.645 21 HH11 ARG -3 HH11 ARG -3 -13.230 -2.591 -7.471 22 HH12 ARG -3 HH12 ARG -3 -11.897 -3.642 -7.116 23 HH21 ARG -3 HH21 ARG -3 -13.292 -4.920 -4.172 24 HH22 ARG -3 HH22 ARG -3 -11.921 -4.964 -5.251 25 H SER -2 H SER -2 -21.393 -0.853 -6.573 26 HA SER -2 HA SER -2 -21.500 1.449 -8.298 27 HB2 SER -2 HB2 SER -2 -23.408 0.543 -6.127 28 HB3 SER -2 HB3 SER -2 -23.743 1.751 -7.367 29 HG SER -2 HG SER -2 -24.240 -0.769 -7.543 30 HA PRO -1 HA PRO -1 -19.607 4.339 -5.431 31 HB2 PRO -1 HB2 PRO -1 -21.425 6.199 -6.889 32 HB3 PRO -1 HB3 PRO -1 -19.699 6.353 -6.549 33 HG2 PRO -1 HG2 PRO -1 -20.537 5.694 -8.983 34 HG3 PRO -1 HG3 PRO -1 -19.095 4.935 -8.284 35 HD2 PRO -1 HD2 PRO -1 -21.848 3.829 -8.615 36 HD3 PRO -1 HD3 PRO -1 -20.279 3.012 -8.754 37 H GLY 0 H GLY 0 -20.207 5.154 -3.494 38 HA2 GLY 0 HA2 GLY 0 -21.840 5.998 -1.934 39 HA3 GLY 0 HA3 GLY 0 -23.085 5.165 -2.859 40 H MET 1 H MET 1 -20.178 3.473 -2.441 41 HA MET 1 HA MET 1 -21.390 1.286 -1.172 42 HB2 MET 1 HB2 MET 1 -19.446 0.957 -2.551 43 HB3 MET 1 HB3 MET 1 -18.485 2.023 -1.539 44 HG2 MET 1 HG2 MET 1 -17.915 -0.296 -1.141 45 HG3 MET 1 HG3 MET 1 -18.626 0.429 0.298 46 HE1 MET 1 HE1 MET 1 -20.438 -0.894 -2.973 47 HE2 MET 1 HE2 MET 1 -20.789 -2.551 -2.485 48 HE3 MET 1 HE3 MET 1 -19.117 -2.026 -2.692 49 H ALA 2 H ALA 2 -21.623 0.712 0.882 50 HA ALA 2 HA ALA 2 -20.299 2.338 2.954 51 HB1 ALA 2 HB1 ALA 2 -22.998 0.995 3.115 52 HB2 ALA 2 HB2 ALA 2 -22.725 2.723 2.895 53 HB3 ALA 2 HB3 ALA 2 -22.227 1.935 4.392 54 H ASP 3 H ASP 3 -19.223 1.256 4.533 55 HA ASP 3 HA ASP 3 -18.468 -1.432 4.106 56 HB2 ASP 3 HB2 ASP 3 -18.111 0.382 6.492 57 HB3 ASP 3 HB3 ASP 3 -17.440 -1.241 6.404 58 H GLN 4 H GLN 4 -19.692 -3.137 4.416 59 HA GLN 4 HA GLN 4 -22.006 -3.068 6.108 60 HB2 GLN 4 HB2 GLN 4 -22.375 -5.363 5.361 61 HB3 GLN 4 HB3 GLN 4 -22.018 -4.315 3.996 62 HG2 GLN 4 HG2 GLN 4 -19.729 -5.140 3.945 63 HG3 GLN 4 HG3 GLN 4 -20.064 -6.171 5.335 64 HE21 GLN 4 HE21 GLN 4 -20.554 -5.683 1.944 65 HE22 GLN 4 HE22 GLN 4 -21.211 -7.248 1.607 66 H ARG 5 H ARG 5 -22.261 -5.335 7.429 67 HA ARG 5 HA ARG 5 -20.599 -5.032 9.683 68 HB2 ARG 5 HB2 ARG 5 -21.886 -6.703 10.685 69 HB3 ARG 5 HB3 ARG 5 -22.971 -5.993 9.509 70 HG2 ARG 5 HG2 ARG 5 -23.389 -8.214 9.211 71 HG3 ARG 5 HG3 ARG 5 -22.155 -7.932 7.981 72 HD2 ARG 5 HD2 ARG 5 -21.569 -9.939 9.122 73 HD3 ARG 5 HD3 ARG 5 -20.451 -8.676 9.644 74 HE ARG 5 HE ARG 5 -22.624 -8.812 11.434 75 HH11 ARG 5 HH11 ARG 5 -19.759 -10.583 10.491 76 HH12 ARG 5 HH12 ARG 5 -19.542 -11.319 12.045 77 HH21 ARG 5 HH21 ARG 5 -22.343 -9.797 13.491 78 HH22 ARG 5 HH22 ARG 5 -21.009 -10.876 13.741 79 H GLN 6 H GLN 6 -20.490 -7.119 6.925 80 HA GLN 6 HA GLN 6 -18.279 -8.674 7.930 81 HB2 GLN 6 HB2 GLN 6 -19.432 -8.545 5.141 82 HB3 GLN 6 HB3 GLN 6 -18.265 -9.729 5.720 83 HG2 GLN 6 HG2 GLN 6 -19.937 -10.508 7.362 84 HG3 GLN 6 HG3 GLN 6 -21.103 -9.390 6.658 85 HE21 GLN 6 HE21 GLN 6 -21.153 -12.305 6.842 86 HE22 GLN 6 HE22 GLN 6 -21.311 -12.878 5.216 87 H ARG 7 H ARG 7 -17.506 -6.138 8.168 88 HA ARG 7 HA ARG 7 -16.181 -5.053 5.909 89 HB2 ARG 7 HB2 ARG 7 -16.689 -3.437 7.462 90 HB3 ARG 7 HB3 ARG 7 -16.371 -4.494 8.826 91 HG2 ARG 7 HG2 ARG 7 -14.723 -2.849 8.905 92 HG3 ARG 7 HG3 ARG 7 -13.931 -4.281 8.256 93 HD2 ARG 7 HD2 ARG 7 -14.252 -3.352 5.972 94 HD3 ARG 7 HD3 ARG 7 -14.894 -1.879 6.703 95 HE ARG 7 HE ARG 7 -12.283 -2.654 7.658 96 HH11 ARG 7 HH11 ARG 7 -14.049 -0.765 5.276 97 HH12 ARG 7 HH12 ARG 7 -12.688 0.261 4.927 98 HH21 ARG 7 HH21 ARG 7 -10.517 -1.319 7.168 99 HH22 ARG 7 HH22 ARG 7 -10.689 -0.056 5.990 100 H SER 8 H SER 8 -15.233 -7.132 8.583 101 HA SER 8 HA SER 8 -12.445 -6.900 8.216 102 HB2 SER 8 HB2 SER 8 -13.497 -7.627 10.315 103 HB3 SER 8 HB3 SER 8 -13.994 -9.128 9.541 104 HG SER 8 HG SER 8 -11.323 -8.228 9.912 105 H LEU 9 H LEU 9 -14.850 -9.100 6.846 106 HA LEU 9 HA LEU 9 -12.747 -10.648 5.565 107 HB2 LEU 9 HB2 LEU 9 -14.535 -12.083 4.728 108 HB3 LEU 9 HB3 LEU 9 -14.623 -11.878 6.461 109 HG LEU 9 HG LEU 9 -16.404 -10.073 5.927 110 HD11 LEU 9 HD11 LEU 9 -16.077 -9.997 3.518 111 HD12 LEU 9 HD12 LEU 9 -17.704 -10.554 3.908 112 HD13 LEU 9 HD13 LEU 9 -16.475 -11.711 3.399 113 HD21 LEU 9 HD21 LEU 9 -16.932 -13.014 5.553 114 HD22 LEU 9 HD22 LEU 9 -18.138 -11.797 5.970 115 HD23 LEU 9 HD23 LEU 9 -16.829 -12.162 7.092 116 H SER 10 H SER 10 -14.826 -8.012 4.837 117 HA SER 10 HA SER 10 -14.811 -8.253 2.012 118 HB2 SER 10 HB2 SER 10 -16.381 -6.809 3.375 119 HB3 SER 10 HB3 SER 10 -15.037 -5.693 3.579 120 HG SER 10 HG SER 10 -14.944 -5.527 1.277 121 H THR 11 H THR 11 -12.734 -6.647 4.358 122 HA THR 11 HA THR 11 -10.919 -5.565 2.464 123 HB THR 11 HB THR 11 -9.339 -5.533 4.461 124 HG1 THR 11 HG1 THR 11 -10.861 -7.319 5.421 125 HG21 THR 11 HG21 THR 11 -10.723 -3.606 3.849 126 HG22 THR 11 HG22 THR 11 -10.574 -3.752 5.601 127 HG23 THR 11 HG23 THR 11 -12.058 -4.263 4.796 128 H SER 12 H SER 12 -9.222 -6.474 1.460 129 HA SER 12 HA SER 12 -9.113 -9.342 1.400 130 HB2 SER 12 HB2 SER 12 -8.951 -8.088 -0.668 131 HB3 SER 12 HB3 SER 12 -7.544 -7.217 -0.074 132 HG SER 12 HG SER 12 -6.403 -8.752 -0.906 133 H GLY 13 H GLY 13 -7.612 -7.008 3.288 134 HA2 GLY 13 HA2 GLY 13 -6.113 -7.549 5.052 135 HA3 GLY 13 HA3 GLY 13 -5.552 -8.929 4.114 136 H GLU 14 H GLU 14 -5.625 -6.944 1.777 137 HA GLU 14 HA GLU 14 -2.890 -6.019 2.081 138 HB2 GLU 14 HB2 GLU 14 -3.015 -5.580 -0.319 139 HB3 GLU 14 HB3 GLU 14 -3.540 -7.219 0.040 140 HG2 GLU 14 HG2 GLU 14 -5.909 -6.121 0.080 141 HG3 GLU 14 HG3 GLU 14 -5.114 -4.882 -0.890 142 H SER 15 H SER 15 -2.306 -3.848 1.833 143 HA SER 15 HA SER 15 -4.462 -2.058 2.675 144 HB2 SER 15 HB2 SER 15 -2.506 -0.643 3.513 145 HB3 SER 15 HB3 SER 15 -2.788 -2.173 4.343 146 HG SER 15 HG SER 15 -0.573 -1.836 3.813 147 H LEU 16 H LEU 16 -1.415 -1.825 0.826 148 HA LEU 16 HA LEU 16 -1.753 0.729 -0.159 149 HB2 LEU 16 HB2 LEU 16 -0.353 -1.624 -1.400 150 HB3 LEU 16 HB3 LEU 16 -0.293 -0.025 -2.092 151 HG LEU 16 HG LEU 16 1.723 -0.415 -0.909 152 HD11 LEU 16 HD11 LEU 16 -0.041 1.435 0.676 153 HD12 LEU 16 HD12 LEU 16 0.905 1.846 -0.756 154 HD13 LEU 16 HD13 LEU 16 1.720 1.400 0.742 155 HD21 LEU 16 HD21 LEU 16 0.933 -2.193 0.579 156 HD22 LEU 16 HD22 LEU 16 0.109 -0.982 1.563 157 HD23 LEU 16 HD23 LEU 16 1.867 -0.964 1.431 158 H TYR 17 H TYR 17 -2.543 -2.274 -1.870 159 HA TYR 17 HA TYR 17 -3.575 -1.267 -4.197 160 HB2 TYR 17 HB2 TYR 17 -4.476 -3.647 -2.577 161 HB3 TYR 17 HB3 TYR 17 -5.120 -3.290 -4.173 162 HD1 TYR 17 HD2 TYR 17 -3.536 -3.274 -6.135 163 HD2 TYR 17 HD1 TYR 17 -2.423 -4.787 -2.321 164 HE1 TYR 17 HE2 TYR 17 -1.697 -4.522 -7.178 165 HE2 TYR 17 HE1 TYR 17 -0.578 -6.046 -3.355 166 HH TYR 17 HH TYR 17 0.399 -5.526 -6.618 167 H HIS 18 H HIS 18 -5.298 -1.679 -1.128 168 HA HIS 18 HA HIS 18 -7.797 -0.951 -2.320 169 HB2 HIS 18 HB2 HIS 18 -6.906 -1.995 0.276 170 HB3 HIS 18 HB3 HIS 18 -8.371 -1.011 0.306 171 HD1 HIS 18 HD1 HIS 18 -10.402 -2.409 0.070 172 HD2 HIS 18 HD2 HIS 18 -7.203 -3.948 -2.086 173 HE1 HIS 18 HE1 HIS 18 -11.279 -4.478 -1.051 174 HE2 HIS 18 HE2 HIS 18 -9.402 -5.229 -2.562 175 H VAL 19 H VAL 19 -5.285 0.844 -0.830 176 HA VAL 19 HA VAL 19 -6.867 3.040 0.082 177 HB VAL 19 HB VAL 19 -4.939 4.131 0.552 178 HG11 VAL 19 HG11 VAL 19 -2.960 2.567 0.730 179 HG12 VAL 19 HG12 VAL 19 -3.992 1.345 -0.018 180 HG13 VAL 19 HG13 VAL 19 -4.450 2.059 1.527 181 HG21 VAL 19 HG21 VAL 19 -3.975 3.259 -2.160 182 HG22 VAL 19 HG22 VAL 19 -2.880 3.992 -0.982 183 HG23 VAL 19 HG23 VAL 19 -4.285 4.895 -1.553 184 H LEU 20 H LEU 20 -5.742 1.879 -2.909 185 HA LEU 20 HA LEU 20 -6.363 4.332 -4.360 186 HB2 LEU 20 HB2 LEU 20 -4.965 1.771 -5.040 187 HB3 LEU 20 HB3 LEU 20 -5.492 2.861 -6.310 188 HG LEU 20 HG LEU 20 -3.516 3.475 -4.112 189 HD11 LEU 20 HD11 LEU 20 -1.920 3.676 -5.958 190 HD12 LEU 20 HD12 LEU 20 -3.176 3.170 -7.090 191 HD13 LEU 20 HD13 LEU 20 -2.601 2.052 -5.852 192 HD21 LEU 20 HD21 LEU 20 -4.769 5.457 -4.570 193 HD22 LEU 20 HD22 LEU 20 -4.625 5.207 -6.310 194 HD23 LEU 20 HD23 LEU 20 -3.195 5.599 -5.351 195 H GLY 21 H GLY 21 -7.996 1.756 -3.253 196 HA2 GLY 21 HA2 GLY 21 -10.152 1.087 -3.626 197 HA3 GLY 21 HA3 GLY 21 -10.254 2.260 -4.928 198 H LEU 22 H LEU 22 -7.664 0.025 -5.072 199 HA LEU 22 HA LEU 22 -9.163 -1.633 -6.977 200 HB2 LEU 22 HB2 LEU 22 -6.947 -1.890 -8.184 201 HB3 LEU 22 HB3 LEU 22 -7.753 -0.345 -8.340 202 HG LEU 22 HG LEU 22 -6.177 0.353 -6.360 203 HD11 LEU 22 HD11 LEU 22 -4.655 -1.939 -7.588 204 HD12 LEU 22 HD12 LEU 22 -5.255 -1.851 -5.933 205 HD13 LEU 22 HD13 LEU 22 -3.994 -0.742 -6.474 206 HD21 LEU 22 HD21 LEU 22 -4.522 1.101 -7.990 207 HD22 LEU 22 HD22 LEU 22 -6.167 1.346 -8.575 208 HD23 LEU 22 HD23 LEU 22 -5.203 0.002 -9.189 209 H ASP 23 H ASP 23 -8.077 -3.794 -7.324 210 HA ASP 23 HA ASP 23 -7.192 -4.795 -4.703 211 HB2 ASP 23 HB2 ASP 23 -8.503 -6.244 -7.016 212 HB3 ASP 23 HB3 ASP 23 -7.868 -7.049 -5.587 213 H LYS 24 H LYS 24 -6.010 -7.103 -5.337 214 HA LYS 24 HA LYS 24 -3.450 -6.314 -6.231 215 HB2 LYS 24 HB2 LYS 24 -2.866 -8.624 -5.844 216 HB3 LYS 24 HB3 LYS 24 -3.964 -8.113 -4.569 217 HG2 LYS 24 HG2 LYS 24 -5.744 -9.074 -6.274 218 HG3 LYS 24 HG3 LYS 24 -4.367 -10.033 -6.770 219 HD2 LYS 24 HD2 LYS 24 -5.395 -11.354 -5.151 220 HD3 LYS 24 HD3 LYS 24 -4.095 -10.551 -4.265 221 HE2 LYS 24 HE2 LYS 24 -5.660 -8.887 -3.439 222 HE3 LYS 24 HE3 LYS 24 -6.961 -9.622 -4.374 223 HZ1 LYS 24 HZ1 LYS 24 -6.966 -10.258 -2.011 224 HZ2 LYS 24 HZ2 LYS 24 -5.462 -11.003 -2.216 225 HZ3 LYS 24 HZ3 LYS 24 -6.815 -11.588 -3.044 226 H ASN 25 H ASN 25 -6.082 -6.639 -8.052 227 HA ASN 25 HA ASN 25 -4.873 -8.246 -10.184 228 HB2 ASN 25 HB2 ASN 25 -7.731 -7.437 -9.639 229 HB3 ASN 25 HB3 ASN 25 -7.223 -8.207 -11.137 230 HD21 ASN 25 HD21 ASN 25 -7.805 -8.631 -7.745 231 HD22 ASN 25 HD22 ASN 25 -7.674 -10.353 -7.735 232 H ALA 26 H ALA 26 -4.732 -5.257 -9.260 233 HA ALA 26 HA ALA 26 -5.368 -3.866 -11.711 234 HB1 ALA 26 HB1 ALA 26 -5.604 -2.677 -9.624 235 HB2 ALA 26 HB2 ALA 26 -4.301 -1.933 -10.571 236 HB3 ALA 26 HB3 ALA 26 -3.918 -3.000 -9.214 237 H THR 27 H THR 27 -3.785 -2.766 -12.986 238 HA THR 27 HA THR 27 -1.097 -3.981 -12.831 239 HB THR 27 HB THR 27 -2.335 -4.547 -14.924 240 HG1 THR 27 HG1 THR 27 -0.173 -4.557 -15.248 241 HG21 THR 27 HG21 THR 27 -2.202 -1.573 -15.437 242 HG22 THR 27 HG22 THR 27 -3.665 -2.519 -15.157 243 HG23 THR 27 HG23 THR 27 -2.700 -2.796 -16.608 244 H SER 28 H SER 28 0.531 -2.335 -14.013 245 HA SER 28 HA SER 28 0.936 -0.214 -12.321 246 HB2 SER 28 HB2 SER 28 1.750 -0.424 -15.229 247 HB3 SER 28 HB3 SER 28 2.436 0.710 -14.065 248 HG SER 28 HG SER 28 3.415 -0.909 -13.014 249 H ASP 29 H ASP 29 -0.827 -0.260 -15.347 250 HA ASP 29 HA ASP 29 -1.365 2.447 -15.652 251 HB2 ASP 29 HB2 ASP 29 -1.824 0.795 -17.391 252 HB3 ASP 29 HB3 ASP 29 -3.102 0.093 -16.406 253 H ASP 30 H ASP 30 -3.164 0.004 -13.754 254 HA ASP 30 HA ASP 30 -5.363 1.743 -13.212 255 HB2 ASP 30 HB2 ASP 30 -4.412 -0.790 -11.882 256 HB3 ASP 30 HB3 ASP 30 -5.946 -0.007 -11.520 257 H ILE 31 H ILE 31 -2.442 0.771 -11.574 258 HA ILE 31 HA ILE 31 -2.986 1.903 -9.062 259 HB ILE 31 HB ILE 31 -0.362 1.204 -10.381 260 HG12 ILE 31 HG12 ILE 31 -1.700 -0.419 -8.261 261 HG13 ILE 31 HG13 ILE 31 -2.335 -0.496 -9.900 262 HG21 ILE 31 HG21 ILE 31 -0.977 1.719 -7.473 263 HG22 ILE 31 HG22 ILE 31 0.015 2.728 -8.529 264 HG23 ILE 31 HG23 ILE 31 0.550 1.101 -8.103 265 HD11 ILE 31 HD11 ILE 31 -0.765 -2.291 -9.451 266 HD12 ILE 31 HD12 ILE 31 0.495 -1.109 -9.088 267 HD13 ILE 31 HD13 ILE 31 -0.172 -1.217 -10.718 268 H LYS 32 H LYS 32 -1.203 3.154 -11.877 269 HA LYS 32 HA LYS 32 -0.301 5.535 -10.649 270 HB2 LYS 32 HB2 LYS 32 -0.873 5.110 -13.582 271 HB3 LYS 32 HB3 LYS 32 0.145 6.356 -12.880 272 HG2 LYS 32 HG2 LYS 32 0.714 3.418 -12.664 273 HG3 LYS 32 HG3 LYS 32 1.362 4.459 -13.930 274 HD2 LYS 32 HD2 LYS 32 2.412 5.860 -12.181 275 HD3 LYS 32 HD3 LYS 32 1.833 4.720 -10.961 276 HE2 LYS 32 HE2 LYS 32 3.105 2.935 -11.981 277 HE3 LYS 32 HE3 LYS 32 3.619 4.009 -13.279 278 HZ1 LYS 32 HZ1 LYS 32 4.311 4.350 -10.408 279 HZ2 LYS 32 HZ2 LYS 32 4.834 5.330 -11.682 280 HZ3 LYS 32 HZ3 LYS 32 5.335 3.718 -11.596 281 H LYS 33 H LYS 33 -3.086 4.940 -12.798 282 HA LYS 33 HA LYS 33 -4.037 7.576 -12.809 283 HB2 LYS 33 HB2 LYS 33 -5.657 5.048 -13.131 284 HB3 LYS 33 HB3 LYS 33 -6.102 6.656 -13.691 285 HG2 LYS 33 HG2 LYS 33 -4.133 6.633 -15.180 286 HG3 LYS 33 HG3 LYS 33 -3.808 4.979 -14.674 287 HD2 LYS 33 HD2 LYS 33 -6.271 5.972 -16.104 288 HD3 LYS 33 HD3 LYS 33 -4.993 4.958 -16.778 289 HE2 LYS 33 HE2 LYS 33 -5.560 3.261 -15.006 290 HE3 LYS 33 HE3 LYS 33 -6.971 4.245 -14.623 291 HZ1 LYS 33 HZ1 LYS 33 -7.598 2.515 -16.123 292 HZ2 LYS 33 HZ2 LYS 33 -6.373 2.929 -17.209 293 HZ3 LYS 33 HZ3 LYS 33 -7.673 3.985 -16.957 294 H SER 34 H SER 34 -4.975 4.804 -10.769 295 HA SER 34 HA SER 34 -6.939 6.141 -9.289 296 HB2 SER 34 HB2 SER 34 -5.144 3.865 -8.435 297 HB3 SER 34 HB3 SER 34 -6.620 4.369 -7.607 298 HG SER 34 HG SER 34 -6.296 3.064 -10.064 299 H TYR 35 H TYR 35 -3.443 6.045 -8.959 300 HA TYR 35 HA TYR 35 -3.206 7.347 -6.506 301 HB2 TYR 35 HB2 TYR 35 -1.196 6.525 -7.443 302 HB3 TYR 35 HB3 TYR 35 -1.456 7.369 -8.972 303 HD1 TYR 35 HD1 TYR 35 -1.148 8.258 -5.321 304 HD2 TYR 35 HD2 TYR 35 -0.101 9.193 -9.342 305 HE1 TYR 35 HE1 TYR 35 0.218 10.121 -4.524 306 HE2 TYR 35 HE2 TYR 35 1.280 11.063 -8.543 307 HH TYR 35 HH TYR 35 2.184 11.434 -5.321 308 H ARG 36 H ARG 36 -3.194 8.785 -9.761 309 HA ARG 36 HA ARG 36 -3.156 11.453 -9.006 310 HB2 ARG 36 HB2 ARG 36 -4.551 10.221 -11.387 311 HB3 ARG 36 HB3 ARG 36 -4.133 11.920 -11.220 312 HG2 ARG 36 HG2 ARG 36 -2.157 9.651 -11.292 313 HG3 ARG 36 HG3 ARG 36 -2.575 10.682 -12.661 314 HD2 ARG 36 HD2 ARG 36 -1.824 12.644 -11.328 315 HD3 ARG 36 HD3 ARG 36 -1.288 11.531 -10.071 316 HE ARG 36 HE ARG 36 -0.184 10.963 -12.661 317 HH11 ARG 36 HH11 ARG 36 0.196 12.812 -9.721 318 HH12 ARG 36 HH12 ARG 36 1.896 13.072 -9.947 319 HH21 ARG 36 HH21 ARG 36 2.055 11.300 -12.971 320 HH22 ARG 36 HH22 ARG 36 2.953 12.211 -11.804 321 H LYS 37 H LYS 37 -5.976 9.507 -9.857 322 HA LYS 37 HA LYS 37 -8.016 11.287 -9.526 323 HB2 LYS 37 HB2 LYS 37 -7.919 8.349 -8.854 324 HB3 LYS 37 HB3 LYS 37 -9.410 9.276 -8.921 325 HG2 LYS 37 HG2 LYS 37 -9.359 9.459 -11.202 326 HG3 LYS 37 HG3 LYS 37 -7.602 9.306 -11.277 327 HD2 LYS 37 HD2 LYS 37 -9.017 7.334 -12.117 328 HD3 LYS 37 HD3 LYS 37 -7.670 6.982 -11.033 329 HE2 LYS 37 HE2 LYS 37 -9.229 6.886 -9.144 330 HE3 LYS 37 HE3 LYS 37 -10.572 7.222 -10.236 331 HZ1 LYS 37 HZ1 LYS 37 -10.180 5.163 -11.365 332 HZ2 LYS 37 HZ2 LYS 37 -10.300 4.843 -9.711 333 HZ3 LYS 37 HZ3 LYS 37 -8.784 4.860 -10.460 334 H LEU 38 H LEU 38 -6.406 9.438 -6.986 335 HA LEU 38 HA LEU 38 -8.201 10.542 -4.977 336 HB2 LEU 38 HB2 LEU 38 -5.984 8.520 -4.874 337 HB3 LEU 38 HB3 LEU 38 -6.867 9.064 -3.458 338 HG LEU 38 HG LEU 38 -8.254 7.849 -5.835 339 HD11 LEU 38 HD11 LEU 38 -6.629 6.247 -5.036 340 HD12 LEU 38 HD12 LEU 38 -8.263 5.739 -4.602 341 HD13 LEU 38 HD13 LEU 38 -7.207 6.454 -3.382 342 HD21 LEU 38 HD21 LEU 38 -9.681 9.102 -4.342 343 HD22 LEU 38 HD22 LEU 38 -9.029 8.244 -2.948 344 HD23 LEU 38 HD23 LEU 38 -9.993 7.378 -4.145 345 H ALA 39 H ALA 39 -4.910 10.840 -6.046 346 HA ALA 39 HA ALA 39 -3.643 11.971 -3.885 347 HB1 ALA 39 HB1 ALA 39 -3.194 12.689 -6.770 348 HB2 ALA 39 HB2 ALA 39 -2.529 11.276 -5.949 349 HB3 ALA 39 HB3 ALA 39 -2.047 12.898 -5.444 350 H LEU 40 H LEU 40 -5.510 13.723 -6.380 351 HA LEU 40 HA LEU 40 -5.031 16.204 -4.999 352 HB2 LEU 40 HB2 LEU 40 -7.022 16.974 -6.587 353 HB3 LEU 40 HB3 LEU 40 -5.359 16.900 -7.101 354 HG LEU 40 HG LEU 40 -7.096 16.077 -8.718 355 HD11 LEU 40 HD11 LEU 40 -5.744 14.074 -9.397 356 HD12 LEU 40 HD12 LEU 40 -4.795 14.328 -7.931 357 HD13 LEU 40 HD13 LEU 40 -4.846 15.578 -9.174 358 HD21 LEU 40 HD21 LEU 40 -7.980 13.865 -8.509 359 HD22 LEU 40 HD22 LEU 40 -8.479 14.831 -7.120 360 HD23 LEU 40 HD23 LEU 40 -7.177 13.653 -6.954 361 H LYS 41 H LYS 41 -7.705 13.969 -5.298 362 HA LYS 41 HA LYS 41 -9.678 15.188 -3.834 363 HB2 LYS 41 HB2 LYS 41 -9.997 13.061 -4.940 364 HB3 LYS 41 HB3 LYS 41 -8.839 12.288 -3.871 365 HG2 LYS 41 HG2 LYS 41 -10.344 12.671 -1.979 366 HG3 LYS 41 HG3 LYS 41 -11.514 13.410 -3.076 367 HD2 LYS 41 HD2 LYS 41 -11.638 11.311 -4.339 368 HD3 LYS 41 HD3 LYS 41 -10.488 10.578 -3.225 369 HE2 LYS 41 HE2 LYS 41 -12.026 10.766 -1.409 370 HE3 LYS 41 HE3 LYS 41 -13.142 11.719 -2.385 371 HZ1 LYS 41 HZ1 LYS 41 -13.497 9.801 -3.797 372 HZ2 LYS 41 HZ2 LYS 41 -13.853 9.414 -2.190 373 HZ3 LYS 41 HZ3 LYS 41 -12.405 8.887 -2.888 374 H TYR 42 H TYR 42 -6.852 13.441 -2.621 375 HA TYR 42 HA TYR 42 -7.526 14.376 0.091 376 HB2 TYR 42 HB2 TYR 42 -5.966 11.985 -0.867 377 HB3 TYR 42 HB3 TYR 42 -5.818 12.586 0.784 378 HD1 TYR 42 HD2 TYR 42 -7.744 12.502 2.307 379 HD2 TYR 42 HD1 TYR 42 -7.933 10.783 -1.579 380 HE1 TYR 42 HE2 TYR 42 -9.722 11.213 2.983 381 HE2 TYR 42 HE1 TYR 42 -9.916 9.493 -0.913 382 HH TYR 42 HH TYR 42 -11.650 10.124 1.954 383 H HIS 43 H HIS 43 -6.225 15.919 -2.031 384 HA HIS 43 HA HIS 43 -3.462 16.150 -1.577 385 HB2 HIS 43 HB2 HIS 43 -5.175 17.280 -3.341 386 HB3 HIS 43 HB3 HIS 43 -4.991 18.617 -2.210 387 HD1 HIS 43 HD1 HIS 43 -3.245 20.195 -2.973 388 HD2 HIS 43 HD2 HIS 43 -2.331 16.266 -4.002 389 HE1 HIS 43 HE1 HIS 43 -1.052 20.304 -4.192 390 HE2 HIS 43 HE2 HIS 43 -0.554 17.931 -4.876 391 HA PRO 44 HA PRO 44 -2.892 17.439 2.508 392 HB2 PRO 44 HB2 PRO 44 -1.314 19.731 1.932 393 HB3 PRO 44 HB3 PRO 44 -0.761 18.120 2.375 394 HG2 PRO 44 HG2 PRO 44 -1.019 19.365 -0.292 395 HG3 PRO 44 HG3 PRO 44 0.101 18.110 0.262 396 HD2 PRO 44 HD2 PRO 44 -1.949 17.543 -1.332 397 HD3 PRO 44 HD3 PRO 44 -1.465 16.419 -0.047 398 H ASP 45 H ASP 45 -3.752 20.116 0.321 399 HA ASP 45 HA ASP 45 -4.447 21.888 2.423 400 HB2 ASP 45 HB2 ASP 45 -3.858 22.768 0.247 401 HB3 ASP 45 HB3 ASP 45 -5.193 21.902 -0.503 402 H LYS 46 H LYS 46 -6.093 19.292 0.936 403 HA LYS 46 HA LYS 46 -8.756 20.191 1.593 404 HB2 LYS 46 HB2 LYS 46 -7.762 17.466 0.767 405 HB3 LYS 46 HB3 LYS 46 -9.423 18.005 0.758 406 HG2 LYS 46 HG2 LYS 46 -8.393 19.877 -0.814 407 HG3 LYS 46 HG3 LYS 46 -7.222 18.597 -1.105 408 HD2 LYS 46 HD2 LYS 46 -9.008 17.070 -1.734 409 HD3 LYS 46 HD3 LYS 46 -10.209 18.320 -1.413 410 HE2 LYS 46 HE2 LYS 46 -8.002 18.567 -3.446 411 HE3 LYS 46 HE3 LYS 46 -9.633 18.020 -3.828 412 HZ1 LYS 46 HZ1 LYS 46 -9.343 20.374 -4.294 413 HZ2 LYS 46 HZ2 LYS 46 -8.913 20.669 -2.687 414 HZ3 LYS 46 HZ3 LYS 46 -10.477 20.155 -3.059 415 H ASN 47 H ASN 47 -6.525 19.609 3.679 416 HA ASN 47 HA ASN 47 -7.805 17.375 5.090 417 HB2 ASN 47 HB2 ASN 47 -4.959 18.358 5.278 418 HB3 ASN 47 HB3 ASN 47 -5.627 16.997 6.159 419 HD21 ASN 47 HD21 ASN 47 -6.154 17.860 2.767 420 HD22 ASN 47 HD22 ASN 47 -5.484 16.398 2.138 421 HA PRO 48 HA PRO 48 -8.417 20.263 8.468 422 HB2 PRO 48 HB2 PRO 48 -9.610 18.202 9.992 423 HB3 PRO 48 HB3 PRO 48 -10.429 19.484 9.109 424 HG2 PRO 48 HG2 PRO 48 -10.533 16.770 8.497 425 HG3 PRO 48 HG3 PRO 48 -10.986 18.093 7.411 426 HD2 PRO 48 HD2 PRO 48 -8.485 16.480 7.498 427 HD3 PRO 48 HD3 PRO 48 -9.323 17.207 6.110 428 H ASP 49 H ASP 49 -8.409 19.450 11.043 429 HA ASP 49 HA ASP 49 -5.651 19.371 11.567 430 HB2 ASP 49 HB2 ASP 49 -7.339 20.430 12.999 431 HB3 ASP 49 HB3 ASP 49 -7.960 18.844 13.436 432 H ASN 50 H ASN 50 -8.134 16.874 11.601 433 HA ASN 50 HA ASN 50 -6.554 14.794 12.651 434 HB2 ASN 50 HB2 ASN 50 -8.187 13.299 11.387 435 HB3 ASN 50 HB3 ASN 50 -8.890 14.393 12.564 436 HD21 ASN 50 HD21 ASN 50 -8.693 13.502 9.265 437 HD22 ASN 50 HD22 ASN 50 -9.852 14.626 8.659 438 HA PRO 51 HA PRO 51 -3.788 14.365 9.173 439 HB2 PRO 51 HB2 PRO 51 -2.234 12.435 10.211 440 HB3 PRO 51 HB3 PRO 51 -2.170 14.101 10.800 441 HG2 PRO 51 HG2 PRO 51 -3.572 11.730 11.972 442 HG3 PRO 51 HG3 PRO 51 -2.620 12.985 12.788 443 HD2 PRO 51 HD2 PRO 51 -5.351 12.978 12.696 444 HD3 PRO 51 HD3 PRO 51 -4.379 14.455 12.841 445 H GLU 52 H GLU 52 -6.367 12.712 9.597 446 HA GLU 52 HA GLU 52 -5.876 10.034 8.816 447 HB2 GLU 52 HB2 GLU 52 -7.932 10.837 9.947 448 HB3 GLU 52 HB3 GLU 52 -8.339 11.759 8.502 449 HG2 GLU 52 HG2 GLU 52 -8.581 9.734 7.235 450 HG3 GLU 52 HG3 GLU 52 -8.085 8.763 8.623 451 H ALA 53 H ALA 53 -6.877 12.928 7.092 452 HA ALA 53 HA ALA 53 -7.007 11.685 4.544 453 HB1 ALA 53 HB1 ALA 53 -7.429 13.875 3.708 454 HB2 ALA 53 HB2 ALA 53 -6.751 14.617 5.159 455 HB3 ALA 53 HB3 ALA 53 -8.263 13.712 5.259 456 H ALA 54 H ALA 54 -4.523 13.266 6.398 457 HA ALA 54 HA ALA 54 -2.604 13.512 4.315 458 HB1 ALA 54 HB1 ALA 54 -0.983 13.796 6.120 459 HB2 ALA 54 HB2 ALA 54 -2.184 13.251 7.293 460 HB3 ALA 54 HB3 ALA 54 -2.428 14.762 6.420 461 H ASP 55 H ASP 55 -3.274 11.111 6.806 462 HA ASP 55 HA ASP 55 -1.399 9.169 6.119 463 HB2 ASP 55 HB2 ASP 55 -4.007 9.223 7.523 464 HB3 ASP 55 HB3 ASP 55 -3.501 7.654 6.924 465 H LYS 56 H LYS 56 -4.595 9.863 4.851 466 HA LYS 56 HA LYS 56 -4.838 7.781 3.006 467 HB2 LYS 56 HB2 LYS 56 -5.958 10.501 3.288 468 HB3 LYS 56 HB3 LYS 56 -6.114 9.745 1.717 469 HG2 LYS 56 HG2 LYS 56 -7.162 8.734 4.343 470 HG3 LYS 56 HG3 LYS 56 -8.078 9.371 2.982 471 HD2 LYS 56 HD2 LYS 56 -6.517 6.792 3.081 472 HD3 LYS 56 HD3 LYS 56 -8.267 6.987 2.962 473 HE2 LYS 56 HE2 LYS 56 -7.973 8.032 0.750 474 HE3 LYS 56 HE3 LYS 56 -6.233 7.765 0.874 475 HZ1 LYS 56 HZ1 LYS 56 -7.193 6.004 -0.407 476 HZ2 LYS 56 HZ2 LYS 56 -8.341 5.679 0.791 477 HZ3 LYS 56 HZ3 LYS 56 -6.701 5.365 1.086 478 H PHE 57 H PHE 57 -3.881 11.139 2.313 479 HA PHE 57 HA PHE 57 -2.999 10.759 -0.259 480 HB2 PHE 57 HB2 PHE 57 -3.155 12.973 0.876 481 HB3 PHE 57 HB3 PHE 57 -1.653 12.594 1.722 482 HD1 PHE 57 HD1 PHE 57 -2.096 11.521 -1.744 483 HD2 PHE 57 HD2 PHE 57 -0.585 14.583 0.799 484 HE1 PHE 57 HE1 PHE 57 -0.849 12.452 -3.626 485 HE2 PHE 57 HE2 PHE 57 0.686 15.516 -1.091 486 HZ PHE 57 HZ PHE 57 0.554 14.453 -3.309 487 H LYS 58 H LYS 58 -1.255 10.204 2.703 488 HA LYS 58 HA LYS 58 1.258 9.614 1.667 489 HB2 LYS 58 HB2 LYS 58 0.617 9.982 4.038 490 HB3 LYS 58 HB3 LYS 58 -0.072 8.368 4.059 491 HG2 LYS 58 HG2 LYS 58 2.143 7.446 3.551 492 HG3 LYS 58 HG3 LYS 58 2.818 9.075 3.617 493 HD2 LYS 58 HD2 LYS 58 1.555 7.475 5.838 494 HD3 LYS 58 HD3 LYS 58 3.203 8.098 5.751 495 HE2 LYS 58 HE2 LYS 58 0.743 9.835 5.835 496 HE3 LYS 58 HE3 LYS 58 1.664 9.372 7.268 497 HZ1 LYS 58 HZ1 LYS 58 2.341 11.542 6.503 498 HZ2 LYS 58 HZ2 LYS 58 2.682 10.943 4.961 499 HZ3 LYS 58 HZ3 LYS 58 3.617 10.453 6.281 500 H GLU 59 H GLU 59 -1.446 7.393 2.404 501 HA GLU 59 HA GLU 59 -0.049 5.090 1.485 502 HB2 GLU 59 HB2 GLU 59 -2.268 3.980 1.599 503 HB3 GLU 59 HB3 GLU 59 -1.754 4.743 3.088 504 HG2 GLU 59 HG2 GLU 59 -3.199 6.637 2.599 505 HG3 GLU 59 HG3 GLU 59 -3.721 5.853 1.114 506 H ILE 60 H ILE 60 -2.343 7.299 -0.086 507 HA ILE 60 HA ILE 60 -2.649 5.914 -2.524 508 HB ILE 60 HB ILE 60 -2.301 8.906 -2.379 509 HG12 ILE 60 HG12 ILE 60 -4.931 7.486 -2.008 510 HG13 ILE 60 HG13 ILE 60 -3.954 8.037 -0.650 511 HG21 ILE 60 HG21 ILE 60 -4.256 7.499 -4.116 512 HG22 ILE 60 HG22 ILE 60 -2.552 7.492 -4.546 513 HG23 ILE 60 HG23 ILE 60 -3.406 9.025 -4.376 514 HD11 ILE 60 HD11 ILE 60 -5.208 9.723 -2.804 515 HD12 ILE 60 HD12 ILE 60 -4.053 10.336 -1.630 516 HD13 ILE 60 HD13 ILE 60 -5.605 9.699 -1.084 517 H ASN 61 H ASN 61 -0.372 8.424 -1.572 518 HA ASN 61 HA ASN 61 1.136 8.446 -3.944 519 HB2 ASN 61 HB2 ASN 61 0.935 10.255 -2.186 520 HB3 ASN 61 HB3 ASN 61 2.019 9.293 -1.173 521 HD21 ASN 61 HD21 ASN 61 3.486 10.988 -1.171 522 HD22 ASN 61 HD22 ASN 61 4.507 11.317 -2.529 523 H ASN 62 H ASN 62 1.262 6.539 -1.066 524 HA ASN 62 HA ASN 62 3.861 5.429 -1.498 525 HB2 ASN 62 HB2 ASN 62 2.212 5.537 0.639 526 HB3 ASN 62 HB3 ASN 62 1.870 3.906 0.072 527 HD21 ASN 62 HD21 ASN 62 3.328 2.337 0.383 528 HD22 ASN 62 HD22 ASN 62 4.827 2.549 1.224 529 H ALA 63 H ALA 63 0.573 4.093 -1.780 530 HA ALA 63 HA ALA 63 1.221 1.644 -2.921 531 HB1 ALA 63 HB1 ALA 63 -1.111 1.614 -3.730 532 HB2 ALA 63 HB2 ALA 63 -1.259 3.318 -3.300 533 HB3 ALA 63 HB3 ALA 63 -0.979 2.109 -2.043 534 H HIS 64 H HIS 64 0.713 4.769 -4.407 535 HA HIS 64 HA HIS 64 0.677 4.295 -7.083 536 HB2 HIS 64 HB2 HIS 64 0.568 6.523 -6.325 537 HB3 HIS 64 HB3 HIS 64 2.088 6.395 -5.453 538 HD1 HIS 64 HD1 HIS 64 3.943 7.571 -6.554 539 HD2 HIS 64 HD2 HIS 64 1.109 6.277 -9.301 540 HE1 HIS 64 HE1 HIS 64 4.723 8.426 -8.779 541 HE2 HIS 64 HE2 HIS 64 2.862 7.847 -10.371 542 H ALA 65 H ALA 65 3.498 4.117 -4.969 543 HA ALA 65 HA ALA 65 5.202 3.390 -7.218 544 HB1 ALA 65 HB1 ALA 65 5.884 3.705 -4.295 545 HB2 ALA 65 HB2 ALA 65 6.068 4.950 -5.530 546 HB3 ALA 65 HB3 ALA 65 7.031 3.476 -5.616 547 H ILE 66 H ILE 66 4.115 2.063 -4.129 548 HA ILE 66 HA ILE 66 5.625 -0.194 -3.966 549 HB ILE 66 HB ILE 66 2.734 -0.157 -3.131 550 HG12 ILE 66 HG12 ILE 66 3.597 1.863 -2.244 551 HG13 ILE 66 HG13 ILE 66 3.658 0.699 -0.928 552 HG21 ILE 66 HG21 ILE 66 3.520 -1.627 -1.330 553 HG22 ILE 66 HG22 ILE 66 5.145 -1.584 -2.016 554 HG23 ILE 66 HG23 ILE 66 3.824 -2.313 -2.928 555 HD11 ILE 66 HD11 ILE 66 6.038 0.395 -1.295 556 HD12 ILE 66 HD12 ILE 66 5.646 2.091 -1.007 557 HD13 ILE 66 HD13 ILE 66 5.981 1.530 -2.648 558 H LEU 67 H LEU 67 2.376 -0.079 -5.483 559 HA LEU 67 HA LEU 67 2.340 -2.901 -5.802 560 HB2 LEU 67 HB2 LEU 67 0.603 -0.760 -6.999 561 HB3 LEU 67 HB3 LEU 67 0.340 -2.470 -7.261 562 HG LEU 67 HG LEU 67 -0.969 -2.478 -5.472 563 HD11 LEU 67 HD11 LEU 67 -0.005 -2.332 -3.231 564 HD12 LEU 67 HD12 LEU 67 1.482 -1.682 -3.919 565 HD13 LEU 67 HD13 LEU 67 0.977 -3.327 -4.307 566 HD21 LEU 67 HD21 LEU 67 0.067 0.270 -4.825 567 HD22 LEU 67 HD22 LEU 67 -1.356 -0.497 -4.117 568 HD23 LEU 67 HD23 LEU 67 -1.328 -0.107 -5.838 569 H THR 68 H THR 68 3.299 -0.281 -7.920 570 HA THR 68 HA THR 68 3.551 -2.134 -10.152 571 HB THR 68 HB THR 68 2.574 -0.006 -10.702 572 HG1 THR 68 HG1 THR 68 5.251 -0.233 -11.664 573 HG21 THR 68 HG21 THR 68 5.114 1.246 -9.672 574 HG22 THR 68 HG22 THR 68 3.537 1.312 -8.887 575 HG23 THR 68 HG23 THR 68 3.777 2.092 -10.447 576 H ASP 69 H ASP 69 5.419 -0.975 -7.607 577 HA ASP 69 HA ASP 69 7.967 -1.215 -8.991 578 HB2 ASP 69 HB2 ASP 69 7.622 0.506 -7.205 579 HB3 ASP 69 HB3 ASP 69 7.397 -0.808 -6.045 580 H ALA 70 H ALA 70 9.127 -3.029 -9.051 581 HA ALA 70 HA ALA 70 7.944 -5.472 -8.310 582 HB1 ALA 70 HB1 ALA 70 10.025 -6.502 -9.048 583 HB2 ALA 70 HB2 ALA 70 10.797 -4.917 -9.099 584 HB3 ALA 70 HB3 ALA 70 9.465 -5.284 -10.196 585 H THR 71 H THR 71 10.338 -3.445 -6.714 586 HA THR 71 HA THR 71 11.091 -5.542 -4.856 587 HB THR 71 HB THR 71 11.815 -2.607 -4.830 588 HG1 THR 71 HG1 THR 71 13.317 -3.114 -6.234 589 HG21 THR 71 HG21 THR 71 13.623 -3.344 -3.336 590 HG22 THR 71 HG22 THR 71 12.975 -4.986 -3.376 591 HG23 THR 71 HG23 THR 71 12.028 -3.681 -2.659 592 H LYS 72 H LYS 72 9.423 -2.366 -4.612 593 HA LYS 72 HA LYS 72 8.883 -2.612 -1.853 594 HB2 LYS 72 HB2 LYS 72 7.987 -0.833 -4.017 595 HB3 LYS 72 HB3 LYS 72 6.829 -1.049 -2.719 596 HG2 LYS 72 HG2 LYS 72 7.980 0.766 -1.956 597 HG3 LYS 72 HG3 LYS 72 8.876 -0.538 -1.182 598 HD2 LYS 72 HD2 LYS 72 10.432 1.030 -2.098 599 HD3 LYS 72 HD3 LYS 72 10.499 -0.448 -3.060 600 HE2 LYS 72 HE2 LYS 72 9.038 0.589 -4.727 601 HE3 LYS 72 HE3 LYS 72 9.002 2.068 -3.770 602 HZ1 LYS 72 HZ1 LYS 72 11.444 0.848 -4.944 603 HZ2 LYS 72 HZ2 LYS 72 11.363 2.319 -4.105 604 HZ3 LYS 72 HZ3 LYS 72 10.604 2.164 -5.604 605 H ARG 73 H ARG 73 7.330 -3.888 -4.648 606 HA ARG 73 HA ARG 73 4.961 -4.734 -3.223 607 HB2 ARG 73 HB2 ARG 73 4.766 -4.278 -5.586 608 HB3 ARG 73 HB3 ARG 73 6.066 -5.401 -5.954 609 HG2 ARG 73 HG2 ARG 73 4.682 -7.253 -5.201 610 HG3 ARG 73 HG3 ARG 73 3.368 -6.127 -4.840 611 HD2 ARG 73 HD2 ARG 73 2.960 -7.129 -6.988 612 HD3 ARG 73 HD3 ARG 73 3.375 -5.432 -7.217 613 HE ARG 73 HE ARG 73 5.509 -7.416 -7.484 614 HH11 ARG 73 HH11 ARG 73 3.342 -5.107 -8.982 615 HH12 ARG 73 HH12 ARG 73 4.144 -5.160 -10.521 616 HH21 ARG 73 HH21 ARG 73 6.585 -7.465 -9.505 617 HH22 ARG 73 HH22 ARG 73 5.993 -6.496 -10.816 618 H ASN 74 H ASN 74 7.987 -6.033 -4.309 619 HA ASN 74 HA ASN 74 7.719 -8.718 -3.766 620 HB2 ASN 74 HB2 ASN 74 9.657 -7.767 -4.915 621 HB3 ASN 74 HB3 ASN 74 10.159 -6.972 -3.428 622 HD21 ASN 74 HD21 ASN 74 10.872 -8.251 -1.695 623 HD22 ASN 74 HD22 ASN 74 11.575 -9.791 -1.988 624 H ILE 75 H ILE 75 9.264 -6.351 -1.530 625 HA ILE 75 HA ILE 75 9.305 -8.296 0.553 626 HB ILE 75 HB ILE 75 10.199 -6.733 2.031 627 HG12 ILE 75 HG12 ILE 75 8.525 -4.958 1.801 628 HG13 ILE 75 HG13 ILE 75 10.160 -4.312 1.742 629 HG21 ILE 75 HG21 ILE 75 11.112 -5.927 -0.712 630 HG22 ILE 75 HG22 ILE 75 11.689 -7.304 0.228 631 HG23 ILE 75 HG23 ILE 75 11.990 -5.663 0.796 632 HD11 ILE 75 HD11 ILE 75 10.001 -4.121 -0.670 633 HD12 ILE 75 HD12 ILE 75 8.696 -3.243 0.131 634 HD13 ILE 75 HD13 ILE 75 8.376 -4.811 -0.625 635 H TYR 76 H TYR 76 7.015 -5.904 -0.447 636 HA TYR 76 HA TYR 76 5.424 -5.672 1.819 637 HB2 TYR 76 HB2 TYR 76 4.739 -4.230 0.181 638 HB3 TYR 76 HB3 TYR 76 5.041 -5.382 -1.110 639 HD1 TYR 76 HD1 TYR 76 3.344 -6.981 -1.772 640 HD2 TYR 76 HD2 TYR 76 2.583 -4.125 1.289 641 HE1 TYR 76 HE1 TYR 76 0.936 -7.412 -1.981 642 HE2 TYR 76 HE2 TYR 76 0.169 -4.554 1.093 643 HH TYR 76 HH TYR 76 -1.090 -7.195 -0.628 644 H ASP 77 H ASP 77 5.401 -8.087 -0.748 645 HA ASP 77 HA ASP 77 3.298 -9.617 0.511 646 HB2 ASP 77 HB2 ASP 77 3.344 -9.694 -1.872 647 HB3 ASP 77 HB3 ASP 77 5.053 -10.122 -1.891 648 H LYS 78 H LYS 78 6.776 -9.686 0.309 649 HA LYS 78 HA LYS 78 7.137 -12.309 1.324 650 HB2 LYS 78 HB2 LYS 78 8.812 -10.088 0.553 651 HB3 LYS 78 HB3 LYS 78 9.414 -10.824 2.026 652 HG2 LYS 78 HG2 LYS 78 10.549 -11.985 0.398 653 HG3 LYS 78 HG3 LYS 78 9.178 -13.047 0.703 654 HD2 LYS 78 HD2 LYS 78 9.483 -11.101 -1.586 655 HD3 LYS 78 HD3 LYS 78 9.584 -12.857 -1.684 656 HE2 LYS 78 HE2 LYS 78 7.211 -12.902 -0.815 657 HE3 LYS 78 HE3 LYS 78 7.186 -11.158 -1.073 658 HZ1 LYS 78 HZ1 LYS 78 6.220 -12.350 -2.926 659 HZ2 LYS 78 HZ2 LYS 78 7.660 -13.203 -3.171 660 HZ3 LYS 78 HZ3 LYS 78 7.617 -11.531 -3.413 661 H TYR 79 H TYR 79 7.628 -9.157 2.932 662 HA TYR 79 HA TYR 79 6.898 -10.445 5.472 663 HB2 TYR 79 HB2 TYR 79 9.177 -8.480 5.160 664 HB3 TYR 79 HB3 TYR 79 8.684 -9.292 6.643 665 HD1 TYR 79 HD2 TYR 79 8.830 -11.872 6.660 666 HD2 TYR 79 HD1 TYR 79 10.812 -9.428 3.797 667 HE1 TYR 79 HE2 TYR 79 10.365 -13.723 6.149 668 HE2 TYR 79 HE1 TYR 79 12.350 -11.273 3.276 669 HH TYR 79 HH TYR 79 11.803 -14.456 4.257 670 H GLY 80 H GLY 80 7.726 -7.254 4.102 671 HA2 GLY 80 HA2 GLY 80 6.299 -5.481 3.705 672 HA3 GLY 80 HA3 GLY 80 4.996 -6.389 4.456 673 H SER 81 H SER 81 6.228 -6.794 6.997 674 HA SER 81 HA SER 81 5.300 -4.472 8.239 675 HB2 SER 81 HB2 SER 81 7.096 -6.599 9.416 676 HB3 SER 81 HB3 SER 81 6.082 -5.472 10.318 677 HG SER 81 HG SER 81 4.481 -6.607 8.596 678 H LEU 82 H LEU 82 8.697 -5.637 8.229 679 HA LEU 82 HA LEU 82 9.547 -2.933 8.888 680 HB2 LEU 82 HB2 LEU 82 10.666 -4.565 10.157 681 HB3 LEU 82 HB3 LEU 82 10.969 -5.573 8.758 682 HG LEU 82 HG LEU 82 12.619 -3.973 7.929 683 HD11 LEU 82 HD11 LEU 82 12.058 -2.413 10.448 684 HD12 LEU 82 HD12 LEU 82 11.639 -1.917 8.807 685 HD13 LEU 82 HD13 LEU 82 13.332 -2.073 9.272 686 HD21 LEU 82 HD21 LEU 82 14.308 -4.292 9.675 687 HD22 LEU 82 HD22 LEU 82 13.368 -5.756 9.384 688 HD23 LEU 82 HD23 LEU 82 13.040 -4.764 10.805 689 H GLY 83 H GLY 83 10.515 -5.354 6.455 690 HA2 GLY 83 HA2 GLY 83 12.343 -3.868 5.072 691 HA3 GLY 83 HA3 GLY 83 11.384 -5.140 4.345 692 H LEU 84 H LEU 84 8.865 -3.716 4.649 693 HA LEU 84 HA LEU 84 8.985 -2.229 2.216 694 HB2 LEU 84 HB2 LEU 84 7.015 -3.536 2.811 695 HB3 LEU 84 HB3 LEU 84 6.751 -2.534 4.223 696 HG LEU 84 HG LEU 84 6.289 -0.605 2.763 697 HD11 LEU 84 HD11 LEU 84 5.980 -0.953 0.359 698 HD12 LEU 84 HD12 LEU 84 6.597 -2.597 0.522 699 HD13 LEU 84 HD13 LEU 84 7.651 -1.221 0.851 700 HD21 LEU 84 HD21 LEU 84 4.132 -1.381 1.924 701 HD22 LEU 84 HD22 LEU 84 4.457 -2.021 3.535 702 HD23 LEU 84 HD23 LEU 84 4.651 -3.055 2.120 703 H TYR 85 H TYR 85 8.227 -1.309 5.568 704 HA TYR 85 HA TYR 85 7.928 1.429 5.092 705 HB2 TYR 85 HB2 TYR 85 7.222 1.289 7.209 706 HB3 TYR 85 HB3 TYR 85 7.887 -0.332 7.337 707 HD1 TYR 85 HD1 TYR 85 8.440 3.218 8.075 708 HD2 TYR 85 HD2 TYR 85 10.036 -0.714 8.404 709 HE1 TYR 85 HE1 TYR 85 10.071 4.022 9.728 710 HE2 TYR 85 HE2 TYR 85 11.665 0.081 10.063 711 HH TYR 85 HH TYR 85 11.422 3.024 11.621 712 H VAL 86 H VAL 86 10.798 -0.469 5.904 713 HA VAL 86 HA VAL 86 12.440 1.825 6.318 714 HB VAL 86 HB VAL 86 13.087 -0.118 7.492 715 HG11 VAL 86 HG11 VAL 86 12.013 -1.756 6.029 716 HG12 VAL 86 HG12 VAL 86 13.656 -2.218 6.470 717 HG13 VAL 86 HG13 VAL 86 13.327 -1.558 4.867 718 HG21 VAL 86 HG21 VAL 86 15.015 0.260 5.218 719 HG22 VAL 86 HG22 VAL 86 15.379 -0.525 6.755 720 HG23 VAL 86 HG23 VAL 86 14.967 1.191 6.716 721 H ALA 87 H ALA 87 11.712 -0.230 3.550 722 HA ALA 87 HA ALA 87 13.793 0.758 1.887 723 HB1 ALA 87 HB1 ALA 87 12.567 -0.177 0.042 724 HB2 ALA 87 HB2 ALA 87 11.125 -0.349 1.043 725 HB3 ALA 87 HB3 ALA 87 12.563 -1.308 1.395 726 H GLU 88 H GLU 88 10.672 1.940 2.805 727 HA GLU 88 HA GLU 88 10.471 3.924 0.749 728 HB2 GLU 88 HB2 GLU 88 9.075 3.694 3.413 729 HB3 GLU 88 HB3 GLU 88 8.633 4.806 2.127 730 HG2 GLU 88 HG2 GLU 88 7.985 3.016 0.698 731 HG3 GLU 88 HG3 GLU 88 8.639 1.819 1.819 732 H GLN 89 H GLN 89 11.334 3.960 4.192 733 HA GLN 89 HA GLN 89 11.868 6.782 4.189 734 HB2 GLN 89 HB2 GLN 89 12.533 4.683 6.260 735 HB3 GLN 89 HB3 GLN 89 12.627 6.420 6.501 736 HG2 GLN 89 HG2 GLN 89 10.118 4.874 5.896 737 HG3 GLN 89 HG3 GLN 89 10.613 5.444 7.487 738 HE21 GLN 89 HE21 GLN 89 11.650 7.977 6.428 739 HE22 GLN 89 HE22 GLN 89 10.257 8.933 6.061 740 H PHE 90 H PHE 90 13.841 3.843 4.225 741 HA PHE 90 HA PHE 90 16.264 5.471 4.231 742 HB2 PHE 90 HB2 PHE 90 15.777 2.524 4.679 743 HB3 PHE 90 HB3 PHE 90 17.398 3.206 4.507 744 HD1 PHE 90 HD1 PHE 90 14.310 3.364 6.554 745 HD2 PHE 90 HD2 PHE 90 18.478 4.185 6.326 746 HE1 PHE 90 HE1 PHE 90 14.336 3.882 8.958 747 HE2 PHE 90 HE2 PHE 90 18.511 4.706 8.730 748 HZ PHE 90 HZ PHE 90 16.439 4.553 10.050 749 H GLY 91 H GLY 91 14.484 3.237 2.153 750 HA2 GLY 91 HA2 GLY 91 14.824 3.461 -0.258 751 HA3 GLY 91 HA3 GLY 91 16.536 3.715 0.071 752 H GLU 92 H GLU 92 14.962 1.605 -1.482 753 HA GLU 92 HA GLU 92 14.751 -0.770 -0.026 754 HB2 GLU 92 HB2 GLU 92 15.507 -0.858 -2.925 755 HB3 GLU 92 HB3 GLU 92 14.378 -1.868 -2.039 756 HG2 GLU 92 HG2 GLU 92 12.663 -0.355 -2.225 757 HG3 GLU 92 HG3 GLU 92 13.754 1.013 -2.434 758 H GLU 93 H GLU 93 17.387 0.287 -2.178 759 HA GLU 93 HA GLU 93 19.018 -1.986 -1.640 760 HB2 GLU 93 HB2 GLU 93 20.786 -0.721 -2.793 761 HB3 GLU 93 HB3 GLU 93 19.276 -0.698 -3.693 762 HG2 GLU 93 HG2 GLU 93 18.815 1.551 -2.757 763 HG3 GLU 93 HG3 GLU 93 20.406 1.519 -2.002 764 H ASN 94 H ASN 94 18.427 0.950 -0.017 765 HA ASN 94 HA ASN 94 20.942 1.117 1.369 766 HB2 ASN 94 HB2 ASN 94 18.342 2.605 1.558 767 HB3 ASN 94 HB3 ASN 94 19.656 2.887 2.677 768 HD21 ASN 94 HD21 ASN 94 21.525 3.876 1.925 769 HD22 ASN 94 HD22 ASN 94 21.563 4.709 0.417 770 H VAL 95 H VAL 95 17.720 -0.008 2.040 771 HA VAL 95 HA VAL 95 17.462 -0.179 4.699 772 HB VAL 95 HB VAL 95 16.065 -2.096 4.519 773 HG11 VAL 95 HG11 VAL 95 15.818 -0.657 1.897 774 HG12 VAL 95 HG12 VAL 95 15.301 0.012 3.440 775 HG13 VAL 95 HG13 VAL 95 14.540 -1.450 2.815 776 HG21 VAL 95 HG21 VAL 95 17.637 -3.523 3.247 777 HG22 VAL 95 HG22 VAL 95 17.214 -2.626 1.787 778 HG23 VAL 95 HG23 VAL 95 15.984 -3.572 2.627 779 H ASN 96 H ASN 96 19.706 -2.110 2.865 780 HA ASN 96 HA ASN 96 20.215 -4.188 4.647 781 HB2 ASN 96 HB2 ASN 96 21.034 -3.953 2.283 782 HB3 ASN 96 HB3 ASN 96 22.253 -2.830 2.879 783 HD21 ASN 96 HD21 ASN 96 21.111 -5.686 4.556 784 HD22 ASN 96 HD22 ASN 96 22.612 -6.539 4.511 785 H THR 97 H THR 97 20.989 -0.851 4.872 786 HA THR 97 HA THR 97 23.109 -0.987 6.742 787 HB THR 97 HB THR 97 22.546 1.062 5.464 788 HG1 THR 97 HG1 THR 97 23.678 1.251 7.489 789 HG21 THR 97 HG21 THR 97 20.113 1.188 7.249 790 HG22 THR 97 HG22 THR 97 20.116 0.910 5.505 791 HG23 THR 97 HG23 THR 97 20.649 2.464 6.152 792 H TYR 98 H TYR 98 19.624 -0.953 7.040 793 HA TYR 98 HA TYR 98 19.736 -0.922 9.949 794 HB2 TYR 98 HB2 TYR 98 18.067 0.445 8.697 795 HB3 TYR 98 HB3 TYR 98 17.357 -1.043 8.073 796 HD1 TYR 98 HD2 TYR 98 17.992 0.886 11.175 797 HD2 TYR 98 HD1 TYR 98 15.753 -2.228 9.337 798 HE1 TYR 98 HE2 TYR 98 16.511 0.802 13.135 799 HE2 TYR 98 HE1 TYR 98 14.264 -2.318 11.292 800 HH TYR 98 HH TYR 98 14.259 -1.731 13.636 801 H PHE 99 H PHE 99 19.296 -3.042 7.277 802 HA PHE 99 HA PHE 99 18.466 -5.301 8.884 803 HB2 PHE 99 HB2 PHE 99 19.080 -4.875 5.975 804 HB3 PHE 99 HB3 PHE 99 18.931 -6.500 6.615 805 HD1 PHE 99 HD1 PHE 99 16.809 -7.338 7.394 806 HD2 PHE 99 HD2 PHE 99 17.169 -3.440 5.744 807 HE1 PHE 99 HE1 PHE 99 14.363 -7.241 7.103 808 HE2 PHE 99 HE2 PHE 99 14.731 -3.331 5.448 809 HZ PHE 99 HZ PHE 99 13.314 -5.231 6.127 810 H VAL 100 H VAL 100 19.965 -7.316 7.728 811 HA VAL 100 HA VAL 100 22.127 -7.561 9.393 812 HB VAL 100 HB VAL 100 21.163 -9.513 8.453 813 HG11 VAL 100 HG11 VAL 100 21.295 -10.071 6.062 814 HG12 VAL 100 HG12 VAL 100 22.010 -8.490 5.744 815 HG13 VAL 100 HG13 VAL 100 20.360 -8.602 6.351 816 HG21 VAL 100 HG21 VAL 100 23.118 -10.713 7.582 817 HG22 VAL 100 HG22 VAL 100 23.531 -9.706 8.968 818 HG23 VAL 100 HG23 VAL 100 23.946 -9.176 7.339 Start of MODEL 2 1 H1 MET -4 H1 MET -4 -12.737 3.689 10.468 2 H2 MET -4 H2 MET -4 -12.740 3.891 8.789 3 H3 MET -4 H3 MET -4 -12.854 2.343 9.449 4 HA MET -4 HA MET -4 -14.990 3.064 8.654 5 HB2 MET -4 HB2 MET -4 -14.766 2.979 11.667 6 HB3 MET -4 HB3 MET -4 -16.275 2.832 10.780 7 HG2 MET -4 HG2 MET -4 -15.454 0.803 9.707 8 HG3 MET -4 HG3 MET -4 -13.932 0.953 10.585 9 HE1 MET -4 HE1 MET -4 -15.679 -2.131 12.277 10 HE2 MET -4 HE2 MET -4 -14.225 -1.553 11.462 11 HE3 MET -4 HE3 MET -4 -15.747 -1.670 10.576 12 H ARG -3 H ARG -3 -16.002 4.784 7.971 13 HA ARG -3 HA ARG -3 -15.369 7.392 8.969 14 HB2 ARG -3 HB2 ARG -3 -15.747 7.043 6.592 15 HB3 ARG -3 HB3 ARG -3 -17.373 6.458 6.907 16 HG2 ARG -3 HG2 ARG -3 -17.294 8.771 6.040 17 HG3 ARG -3 HG3 ARG -3 -18.089 8.636 7.609 18 HD2 ARG -3 HD2 ARG -3 -16.574 10.577 7.465 19 HD3 ARG -3 HD3 ARG -3 -16.113 9.439 8.729 20 HE ARG -3 HE ARG -3 -14.776 9.065 6.192 21 HH11 ARG -3 HH11 ARG -3 -14.693 10.591 9.342 22 HH12 ARG -3 HH12 ARG -3 -12.977 10.840 9.314 23 HH21 ARG -3 HH21 ARG -3 -12.509 9.385 6.164 24 HH22 ARG -3 HH22 ARG -3 -11.733 10.157 7.520 25 H SER -2 H SER -2 -17.997 5.128 9.328 26 HA SER -2 HA SER -2 -19.586 7.094 10.792 27 HB2 SER -2 HB2 SER -2 -20.625 5.620 9.023 28 HB3 SER -2 HB3 SER -2 -20.315 4.245 10.080 29 HG SER -2 HG SER -2 -21.851 4.895 11.427 30 HA PRO -1 HA PRO -1 -17.596 5.287 14.440 31 HB2 PRO -1 HB2 PRO -1 -19.087 7.417 15.820 32 HB3 PRO -1 HB3 PRO -1 -17.348 7.113 15.780 33 HG2 PRO -1 HG2 PRO -1 -18.437 9.201 14.497 34 HG3 PRO -1 HG3 PRO -1 -17.044 8.324 13.839 35 HD2 PRO -1 HD2 PRO -1 -19.938 8.117 13.085 36 HD3 PRO -1 HD3 PRO -1 -18.500 8.155 12.041 37 H GLY 0 H GLY 0 -18.559 3.452 15.061 38 HA2 GLY 0 HA2 GLY 0 -20.105 2.534 16.725 39 HA3 GLY 0 HA3 GLY 0 -21.319 3.636 16.090 40 H MET 1 H MET 1 -19.143 1.937 13.978 41 HA MET 1 HA MET 1 -21.334 0.573 12.714 42 HB2 MET 1 HB2 MET 1 -18.403 0.805 12.193 43 HB3 MET 1 HB3 MET 1 -19.286 -0.525 11.460 44 HG2 MET 1 HG2 MET 1 -19.967 2.388 11.149 45 HG3 MET 1 HG3 MET 1 -19.081 1.414 9.976 46 HE1 MET 1 HE1 MET 1 -21.693 3.047 9.137 47 HE2 MET 1 HE2 MET 1 -22.489 1.831 8.138 48 HE3 MET 1 HE3 MET 1 -20.739 2.032 8.055 49 H ALA 2 H ALA 2 -22.141 -1.268 13.345 50 HA ALA 2 HA ALA 2 -21.075 -2.842 15.424 51 HB1 ALA 2 HB1 ALA 2 -23.463 -2.778 14.903 52 HB2 ALA 2 HB2 ALA 2 -22.851 -4.431 14.866 53 HB3 ALA 2 HB3 ALA 2 -23.152 -3.568 13.357 54 H ASP 3 H ASP 3 -19.863 -4.648 15.429 55 HA ASP 3 HA ASP 3 -18.077 -5.148 13.336 56 HB2 ASP 3 HB2 ASP 3 -17.578 -5.727 15.658 57 HB3 ASP 3 HB3 ASP 3 -18.863 -6.931 15.651 58 H GLN 4 H GLN 4 -18.174 -6.381 11.573 59 HA GLN 4 HA GLN 4 -20.728 -7.570 10.936 60 HB2 GLN 4 HB2 GLN 4 -18.309 -6.800 9.363 61 HB3 GLN 4 HB3 GLN 4 -19.455 -7.941 8.674 62 HG2 GLN 4 HG2 GLN 4 -21.232 -6.368 8.817 63 HG3 GLN 4 HG3 GLN 4 -20.242 -5.250 9.752 64 HE21 GLN 4 HE21 GLN 4 -20.525 -3.580 8.313 65 HE22 GLN 4 HE22 GLN 4 -19.787 -3.555 6.749 66 H ARG 5 H ARG 5 -20.365 -9.616 9.340 67 HA ARG 5 HA ARG 5 -20.082 -11.649 11.249 68 HB2 ARG 5 HB2 ARG 5 -20.514 -11.662 8.303 69 HB3 ARG 5 HB3 ARG 5 -20.378 -13.155 9.224 70 HG2 ARG 5 HG2 ARG 5 -22.375 -12.886 10.230 71 HG3 ARG 5 HG3 ARG 5 -22.230 -11.124 10.278 72 HD2 ARG 5 HD2 ARG 5 -22.703 -10.971 7.963 73 HD3 ARG 5 HD3 ARG 5 -22.700 -12.723 7.799 74 HE ARG 5 HE ARG 5 -24.637 -11.844 9.699 75 HH11 ARG 5 HH11 ARG 5 -24.052 -12.151 6.263 76 HH12 ARG 5 HH12 ARG 5 -25.731 -12.262 5.854 77 HH21 ARG 5 HH21 ARG 5 -26.858 -11.988 9.160 78 HH22 ARG 5 HH22 ARG 5 -27.330 -12.168 7.503 79 H GLN 6 H GLN 6 -18.128 -10.895 8.394 80 HA GLN 6 HA GLN 6 -15.995 -12.559 9.531 81 HB2 GLN 6 HB2 GLN 6 -16.621 -12.000 6.637 82 HB3 GLN 6 HB3 GLN 6 -15.176 -12.830 7.189 83 HG2 GLN 6 HG2 GLN 6 -16.558 -14.596 8.147 84 HG3 GLN 6 HG3 GLN 6 -18.008 -13.761 7.595 85 HE21 GLN 6 HE21 GLN 6 -16.987 -16.423 6.934 86 HE22 GLN 6 HE22 GLN 6 -16.828 -16.449 5.213 87 H ARG 7 H ARG 7 -13.941 -11.814 9.541 88 HA ARG 7 HA ARG 7 -13.560 -8.986 9.581 89 HB2 ARG 7 HB2 ARG 7 -12.353 -10.070 11.223 90 HB3 ARG 7 HB3 ARG 7 -11.998 -11.451 10.199 91 HG2 ARG 7 HG2 ARG 7 -9.953 -10.426 10.515 92 HG3 ARG 7 HG3 ARG 7 -10.467 -9.891 8.917 93 HD2 ARG 7 HD2 ARG 7 -11.195 -7.766 9.833 94 HD3 ARG 7 HD3 ARG 7 -10.791 -8.301 11.464 95 HE ARG 7 HE ARG 7 -8.540 -8.461 9.735 96 HH11 ARG 7 HH11 ARG 7 -10.466 -6.176 11.557 97 HH12 ARG 7 HH12 ARG 7 -9.174 -5.033 11.741 98 HH21 ARG 7 HH21 ARG 7 -6.829 -6.955 9.978 99 HH22 ARG 7 HH22 ARG 7 -7.106 -5.478 10.842 100 H SER 8 H SER 8 -12.897 -11.617 7.403 101 HA SER 8 HA SER 8 -10.932 -10.271 5.846 102 HB2 SER 8 HB2 SER 8 -10.985 -12.694 6.051 103 HB3 SER 8 HB3 SER 8 -12.554 -12.748 5.252 104 HG SER 8 HG SER 8 -10.027 -12.085 4.174 105 H LEU 9 H LEU 9 -14.417 -10.371 5.756 106 HA LEU 9 HA LEU 9 -14.558 -9.486 3.022 107 HB2 LEU 9 HB2 LEU 9 -16.975 -9.184 3.442 108 HB3 LEU 9 HB3 LEU 9 -16.393 -10.791 3.814 109 HG LEU 9 HG LEU 9 -16.339 -10.034 6.260 110 HD11 LEU 9 HD11 LEU 9 -17.863 -8.232 6.855 111 HD12 LEU 9 HD12 LEU 9 -18.117 -7.871 5.148 112 HD13 LEU 9 HD13 LEU 9 -16.527 -7.632 5.872 113 HD21 LEU 9 HD21 LEU 9 -18.667 -10.575 6.560 114 HD22 LEU 9 HD22 LEU 9 -17.994 -11.570 5.269 115 HD23 LEU 9 HD23 LEU 9 -19.009 -10.183 4.875 116 H SER 10 H SER 10 -14.121 -8.016 6.067 117 HA SER 10 HA SER 10 -14.831 -5.372 5.098 118 HB2 SER 10 HB2 SER 10 -15.285 -6.111 7.470 119 HB3 SER 10 HB3 SER 10 -13.545 -6.105 7.722 120 HG SER 10 HG SER 10 -15.263 -3.933 7.178 121 H THR 11 H THR 11 -11.968 -7.009 6.405 122 HA THR 11 HA THR 11 -10.304 -5.303 4.679 123 HB THR 11 HB THR 11 -8.483 -5.911 6.439 124 HG1 THR 11 HG1 THR 11 -9.613 -7.347 7.710 125 HG21 THR 11 HG21 THR 11 -9.070 -3.949 7.783 126 HG22 THR 11 HG22 THR 11 -10.701 -3.975 7.113 127 HG23 THR 11 HG23 THR 11 -9.323 -3.643 6.066 128 H SER 12 H SER 12 -9.358 -6.400 3.094 129 HA SER 12 HA SER 12 -9.431 -9.278 3.069 130 HB2 SER 12 HB2 SER 12 -8.272 -7.345 1.049 131 HB3 SER 12 HB3 SER 12 -8.582 -9.059 0.783 132 HG SER 12 HG SER 12 -10.757 -8.689 0.914 133 H GLY 13 H GLY 13 -7.282 -7.021 4.263 134 HA2 GLY 13 HA2 GLY 13 -5.344 -7.713 5.484 135 HA3 GLY 13 HA3 GLY 13 -5.148 -9.046 4.352 136 H GLU 14 H GLU 14 -5.765 -7.147 2.133 137 HA GLU 14 HA GLU 14 -3.078 -6.151 1.737 138 HB2 GLU 14 HB2 GLU 14 -3.843 -5.635 -0.531 139 HB3 GLU 14 HB3 GLU 14 -4.242 -7.292 -0.101 140 HG2 GLU 14 HG2 GLU 14 -6.526 -6.313 0.578 141 HG3 GLU 14 HG3 GLU 14 -6.035 -4.937 -0.405 142 H SER 15 H SER 15 -2.589 -3.954 1.384 143 HA SER 15 HA SER 15 -4.543 -2.176 2.685 144 HB2 SER 15 HB2 SER 15 -1.539 -2.079 2.993 145 HB3 SER 15 HB3 SER 15 -2.717 -1.074 3.838 146 HG SER 15 HG SER 15 -1.797 -3.160 4.829 147 H LEU 16 H LEU 16 -1.512 -1.939 0.790 148 HA LEU 16 HA LEU 16 -1.862 0.678 -0.078 149 HB2 LEU 16 HB2 LEU 16 -0.429 -1.635 -1.355 150 HB3 LEU 16 HB3 LEU 16 -0.395 -0.029 -2.037 151 HG LEU 16 HG LEU 16 1.628 -0.495 -0.827 152 HD11 LEU 16 HD11 LEU 16 -0.103 1.536 0.557 153 HD12 LEU 16 HD12 LEU 16 0.953 1.803 -0.832 154 HD13 LEU 16 HD13 LEU 16 1.645 1.416 0.742 155 HD21 LEU 16 HD21 LEU 16 1.665 -0.829 1.591 156 HD22 LEU 16 HD22 LEU 16 0.827 -2.136 0.753 157 HD23 LEU 16 HD23 LEU 16 -0.097 -0.896 1.601 158 H TYR 17 H TYR 17 -2.694 -2.325 -1.753 159 HA TYR 17 HA TYR 17 -3.938 -1.329 -4.003 160 HB2 TYR 17 HB2 TYR 17 -4.711 -3.728 -2.328 161 HB3 TYR 17 HB3 TYR 17 -5.387 -3.386 -3.915 162 HD1 TYR 17 HD2 TYR 17 -3.898 -3.454 -5.918 163 HD2 TYR 17 HD1 TYR 17 -2.581 -4.751 -2.088 164 HE1 TYR 17 HE2 TYR 17 -2.048 -4.674 -6.980 165 HE2 TYR 17 HE1 TYR 17 -0.727 -5.982 -3.137 166 HH TYR 17 HH TYR 17 0.018 -5.647 -6.531 167 H HIS 18 H HIS 18 -5.247 -1.682 -0.750 168 HA HIS 18 HA HIS 18 -7.939 -1.151 -1.468 169 HB2 HIS 18 HB2 HIS 18 -7.093 -2.405 0.588 170 HB3 HIS 18 HB3 HIS 18 -6.770 -0.825 1.292 171 HD1 HIS 18 HD1 HIS 18 -8.705 0.346 2.382 172 HD2 HIS 18 HD2 HIS 18 -9.896 -2.871 0.039 173 HE1 HIS 18 HE1 HIS 18 -11.159 0.056 2.833 174 HE2 HIS 18 HE2 HIS 18 -11.821 -1.990 1.524 175 H VAL 19 H VAL 19 -5.260 0.885 -0.449 176 HA VAL 19 HA VAL 19 -6.797 3.184 0.204 177 HB VAL 19 HB VAL 19 -4.853 4.217 0.651 178 HG11 VAL 19 HG11 VAL 19 -3.819 1.470 0.033 179 HG12 VAL 19 HG12 VAL 19 -4.269 2.142 1.602 180 HG13 VAL 19 HG13 VAL 19 -2.829 2.729 0.768 181 HG21 VAL 19 HG21 VAL 19 -2.864 4.174 -0.936 182 HG22 VAL 19 HG22 VAL 19 -4.334 4.963 -1.509 183 HG23 VAL 19 HG23 VAL 19 -3.928 3.336 -2.075 184 H LEU 20 H LEU 20 -5.660 1.809 -2.753 185 HA LEU 20 HA LEU 20 -6.228 4.238 -4.263 186 HB2 LEU 20 HB2 LEU 20 -4.839 1.663 -4.874 187 HB3 LEU 20 HB3 LEU 20 -5.372 2.705 -6.180 188 HG LEU 20 HG LEU 20 -3.399 3.408 -4.007 189 HD11 LEU 20 HD11 LEU 20 -2.443 1.958 -5.678 190 HD12 LEU 20 HD12 LEU 20 -1.826 3.598 -5.898 191 HD13 LEU 20 HD13 LEU 20 -3.082 2.974 -6.970 192 HD21 LEU 20 HD21 LEU 20 -3.104 5.499 -5.319 193 HD22 LEU 20 HD22 LEU 20 -4.663 5.367 -4.511 194 HD23 LEU 20 HD23 LEU 20 -4.544 5.066 -6.246 195 H GLY 21 H GLY 21 -7.922 1.668 -3.182 196 HA2 GLY 21 HA2 GLY 21 -10.075 1.018 -3.599 197 HA3 GLY 21 HA3 GLY 21 -10.174 2.297 -4.797 198 H LEU 22 H LEU 22 -7.588 0.151 -5.297 199 HA LEU 22 HA LEU 22 -9.161 -1.294 -7.318 200 HB2 LEU 22 HB2 LEU 22 -6.873 -1.692 -8.388 201 HB3 LEU 22 HB3 LEU 22 -7.573 -0.098 -8.537 202 HG LEU 22 HG LEU 22 -6.102 0.504 -6.496 203 HD11 LEU 22 HD11 LEU 22 -4.695 -1.975 -7.468 204 HD12 LEU 22 HD12 LEU 22 -5.422 -1.736 -5.877 205 HD13 LEU 22 HD13 LEU 22 -4.020 -0.779 -6.362 206 HD21 LEU 22 HD21 LEU 22 -4.228 1.011 -7.963 207 HD22 LEU 22 HD22 LEU 22 -5.772 1.376 -8.732 208 HD23 LEU 22 HD23 LEU 22 -4.881 -0.080 -9.184 209 H ASP 23 H ASP 23 -8.313 -3.501 -7.805 210 HA ASP 23 HA ASP 23 -7.683 -4.821 -5.266 211 HB2 ASP 23 HB2 ASP 23 -8.533 -6.864 -6.259 212 HB3 ASP 23 HB3 ASP 23 -9.717 -5.588 -6.443 213 H LYS 24 H LYS 24 -6.695 -7.173 -6.146 214 HA LYS 24 HA LYS 24 -3.963 -6.277 -6.414 215 HB2 LYS 24 HB2 LYS 24 -3.400 -8.562 -5.746 216 HB3 LYS 24 HB3 LYS 24 -4.565 -7.836 -4.649 217 HG2 LYS 24 HG2 LYS 24 -6.051 -9.157 -6.631 218 HG3 LYS 24 HG3 LYS 24 -4.759 -10.246 -6.156 219 HD2 LYS 24 HD2 LYS 24 -6.443 -10.782 -4.660 220 HD3 LYS 24 HD3 LYS 24 -5.453 -9.650 -3.740 221 HE2 LYS 24 HE2 LYS 24 -6.994 -7.830 -4.416 222 HE3 LYS 24 HE3 LYS 24 -8.012 -9.033 -5.209 223 HZ1 LYS 24 HZ1 LYS 24 -8.225 -10.141 -3.017 224 HZ2 LYS 24 HZ2 LYS 24 -8.889 -8.587 -3.051 225 HZ3 LYS 24 HZ3 LYS 24 -7.388 -8.845 -2.310 226 H ASN 25 H ASN 25 -6.077 -6.739 -8.702 227 HA ASN 25 HA ASN 25 -4.260 -8.258 -10.450 228 HB2 ASN 25 HB2 ASN 25 -7.230 -7.739 -10.735 229 HB3 ASN 25 HB3 ASN 25 -6.239 -8.538 -11.950 230 HD21 ASN 25 HD21 ASN 25 -7.721 -8.792 -8.829 231 HD22 ASN 25 HD22 ASN 25 -7.513 -10.505 -8.653 232 H ALA 26 H ALA 26 -4.817 -5.248 -9.541 233 HA ALA 26 HA ALA 26 -5.178 -3.855 -11.991 234 HB1 ALA 26 HB1 ALA 26 -5.634 -2.716 -9.914 235 HB2 ALA 26 HB2 ALA 26 -4.313 -1.885 -10.757 236 HB3 ALA 26 HB3 ALA 26 -3.965 -2.947 -9.386 237 H THR 27 H THR 27 -3.633 -2.665 -13.155 238 HA THR 27 HA THR 27 -0.937 -3.849 -13.010 239 HB THR 27 HB THR 27 -2.162 -4.308 -15.129 240 HG1 THR 27 HG1 THR 27 0.063 -4.246 -15.299 241 HG21 THR 27 HG21 THR 27 -2.032 -1.314 -15.495 242 HG22 THR 27 HG22 THR 27 -3.495 -2.270 -15.257 243 HG23 THR 27 HG23 THR 27 -2.534 -2.479 -16.721 244 H SER 28 H SER 28 0.669 -2.162 -14.173 245 HA SER 28 HA SER 28 1.111 -0.126 -12.369 246 HB2 SER 28 HB2 SER 28 2.599 0.861 -14.123 247 HB3 SER 28 HB3 SER 28 2.856 -0.868 -13.882 248 HG SER 28 HG SER 28 2.697 -0.703 -16.031 249 H ASP 29 H ASP 29 -0.608 -0.056 -15.407 250 HA ASP 29 HA ASP 29 -1.132 2.664 -15.615 251 HB2 ASP 29 HB2 ASP 29 -1.542 1.097 -17.441 252 HB3 ASP 29 HB3 ASP 29 -2.845 0.348 -16.527 253 H ASP 30 H ASP 30 -2.993 0.138 -13.878 254 HA ASP 30 HA ASP 30 -5.190 1.874 -13.315 255 HB2 ASP 30 HB2 ASP 30 -4.297 -0.743 -12.111 256 HB3 ASP 30 HB3 ASP 30 -5.796 0.064 -11.665 257 H ILE 31 H ILE 31 -2.357 0.752 -11.591 258 HA ILE 31 HA ILE 31 -2.959 1.829 -9.080 259 HB ILE 31 HB ILE 31 -0.328 1.095 -10.357 260 HG12 ILE 31 HG12 ILE 31 -1.706 -0.457 -8.212 261 HG13 ILE 31 HG13 ILE 31 -2.348 -0.543 -9.848 262 HG21 ILE 31 HG21 ILE 31 0.584 1.005 -8.078 263 HG22 ILE 31 HG22 ILE 31 -0.924 1.680 -7.462 264 HG23 ILE 31 HG23 ILE 31 0.096 2.638 -8.537 265 HD11 ILE 31 HD11 ILE 31 0.474 -1.210 -9.051 266 HD12 ILE 31 HD12 ILE 31 -0.229 -1.360 -10.664 267 HD13 ILE 31 HD13 ILE 31 -0.820 -2.375 -9.345 268 H LYS 32 H LYS 32 -1.236 3.219 -11.850 269 HA LYS 32 HA LYS 32 -0.419 5.577 -10.471 270 HB2 LYS 32 HB2 LYS 32 -0.763 5.224 -13.447 271 HB3 LYS 32 HB3 LYS 32 0.164 6.476 -12.638 272 HG2 LYS 32 HG2 LYS 32 0.773 3.536 -12.612 273 HG3 LYS 32 HG3 LYS 32 1.595 4.761 -13.576 274 HD2 LYS 32 HD2 LYS 32 2.323 5.874 -11.510 275 HD3 LYS 32 HD3 LYS 32 1.531 4.608 -10.564 276 HE2 LYS 32 HE2 LYS 32 2.955 2.932 -11.619 277 HE3 LYS 32 HE3 LYS 32 3.739 4.193 -12.566 278 HZ1 LYS 32 HZ1 LYS 32 5.065 3.570 -10.654 279 HZ2 LYS 32 HZ2 LYS 32 3.799 3.969 -9.604 280 HZ3 LYS 32 HZ3 LYS 32 4.557 5.175 -10.518 281 H LYS 33 H LYS 33 -3.089 4.945 -12.777 282 HA LYS 33 HA LYS 33 -4.179 7.511 -12.773 283 HB2 LYS 33 HB2 LYS 33 -5.685 4.900 -13.008 284 HB3 LYS 33 HB3 LYS 33 -6.252 6.477 -13.543 285 HG2 LYS 33 HG2 LYS 33 -4.374 6.566 -15.135 286 HG3 LYS 33 HG3 LYS 33 -3.910 4.945 -14.635 287 HD2 LYS 33 HD2 LYS 33 -6.532 5.721 -15.909 288 HD3 LYS 33 HD3 LYS 33 -5.205 4.863 -16.696 289 HE2 LYS 33 HE2 LYS 33 -5.476 3.113 -14.862 290 HE3 LYS 33 HE3 LYS 33 -7.005 3.906 -14.486 291 HZ1 LYS 33 HZ1 LYS 33 -7.656 3.529 -16.827 292 HZ2 LYS 33 HZ2 LYS 33 -7.414 2.095 -15.965 293 HZ3 LYS 33 HZ3 LYS 33 -6.234 2.635 -17.054 294 H SER 34 H SER 34 -4.948 4.740 -10.702 295 HA SER 34 HA SER 34 -6.940 5.929 -9.160 296 HB2 SER 34 HB2 SER 34 -4.938 3.851 -8.267 297 HB3 SER 34 HB3 SER 34 -6.518 4.167 -7.547 298 HG SER 34 HG SER 34 -5.855 2.844 -9.899 299 H TYR 35 H TYR 35 -3.428 6.010 -8.849 300 HA TYR 35 HA TYR 35 -3.260 7.354 -6.419 301 HB2 TYR 35 HB2 TYR 35 -1.210 6.597 -7.347 302 HB3 TYR 35 HB3 TYR 35 -1.492 7.443 -8.868 303 HD1 TYR 35 HD1 TYR 35 -0.999 8.140 -5.218 304 HD2 TYR 35 HD2 TYR 35 -0.472 9.507 -9.211 305 HE1 TYR 35 HE1 TYR 35 0.240 10.073 -4.383 306 HE2 TYR 35 HE2 TYR 35 0.788 11.448 -8.379 307 HH TYR 35 HH TYR 35 1.969 11.662 -5.234 308 H ARG 36 H ARG 36 -3.191 8.788 -9.684 309 HA ARG 36 HA ARG 36 -3.375 11.443 -9.033 310 HB2 ARG 36 HB2 ARG 36 -4.788 10.062 -11.322 311 HB3 ARG 36 HB3 ARG 36 -4.416 11.777 -11.229 312 HG2 ARG 36 HG2 ARG 36 -2.399 9.544 -11.317 313 HG3 ARG 36 HG3 ARG 36 -2.847 10.594 -12.663 314 HD2 ARG 36 HD2 ARG 36 -1.629 11.503 -10.061 315 HD3 ARG 36 HD3 ARG 36 -0.761 11.306 -11.580 316 HE ARG 36 HE ARG 36 -3.037 13.068 -11.734 317 HH11 ARG 36 HH11 ARG 36 0.399 12.850 -11.082 318 HH12 ARG 36 HH12 ARG 36 0.686 14.534 -11.379 319 HH21 ARG 36 HH21 ARG 36 -2.666 15.277 -12.106 320 HH22 ARG 36 HH22 ARG 36 -1.057 15.917 -11.961 321 H LYS 37 H LYS 37 -6.124 9.352 -9.771 322 HA LYS 37 HA LYS 37 -8.205 11.086 -9.479 323 HB2 LYS 37 HB2 LYS 37 -8.043 8.172 -8.723 324 HB3 LYS 37 HB3 LYS 37 -9.551 9.067 -8.846 325 HG2 LYS 37 HG2 LYS 37 -9.425 9.230 -11.142 326 HG3 LYS 37 HG3 LYS 37 -7.675 9.000 -11.165 327 HD2 LYS 37 HD2 LYS 37 -9.143 7.062 -11.977 328 HD3 LYS 37 HD3 LYS 37 -7.858 6.687 -10.826 329 HE2 LYS 37 HE2 LYS 37 -9.466 6.711 -9.003 330 HE3 LYS 37 HE3 LYS 37 -10.759 7.141 -10.126 331 HZ1 LYS 37 HZ1 LYS 37 -9.186 4.622 -10.180 332 HZ2 LYS 37 HZ2 LYS 37 -10.420 5.032 -11.257 333 HZ3 LYS 37 HZ3 LYS 37 -10.775 4.783 -9.624 334 H LEU 38 H LEU 38 -6.571 9.313 -6.890 335 HA LEU 38 HA LEU 38 -8.338 10.492 -4.900 336 HB2 LEU 38 HB2 LEU 38 -6.103 8.492 -4.749 337 HB3 LEU 38 HB3 LEU 38 -6.975 9.082 -3.343 338 HG LEU 38 HG LEU 38 -8.429 7.818 -5.644 339 HD11 LEU 38 HD11 LEU 38 -7.242 6.401 -3.266 340 HD12 LEU 38 HD12 LEU 38 -6.699 6.253 -4.940 341 HD13 LEU 38 HD13 LEU 38 -8.307 5.688 -4.479 342 HD21 LEU 38 HD21 LEU 38 -9.755 9.056 -4.014 343 HD22 LEU 38 HD22 LEU 38 -9.048 8.111 -2.704 344 HD23 LEU 38 HD23 LEU 38 -10.078 7.326 -3.900 345 H ALA 39 H ALA 39 -5.055 10.760 -6.010 346 HA ALA 39 HA ALA 39 -3.759 11.951 -3.903 347 HB1 ALA 39 HB1 ALA 39 -3.333 12.618 -6.804 348 HB2 ALA 39 HB2 ALA 39 -2.689 11.195 -5.984 349 HB3 ALA 39 HB3 ALA 39 -2.168 12.808 -5.492 350 H LEU 40 H LEU 40 -5.628 13.646 -6.431 351 HA LEU 40 HA LEU 40 -5.087 16.160 -5.148 352 HB2 LEU 40 HB2 LEU 40 -7.099 16.901 -6.732 353 HB3 LEU 40 HB3 LEU 40 -5.443 16.788 -7.266 354 HG LEU 40 HG LEU 40 -7.218 15.916 -8.823 355 HD11 LEU 40 HD11 LEU 40 -5.884 13.905 -9.467 356 HD12 LEU 40 HD12 LEU 40 -4.926 14.161 -8.008 357 HD13 LEU 40 HD13 LEU 40 -4.958 15.394 -9.268 358 HD21 LEU 40 HD21 LEU 40 -8.581 14.739 -7.155 359 HD22 LEU 40 HD22 LEU 40 -7.279 13.565 -6.958 360 HD23 LEU 40 HD23 LEU 40 -8.102 13.714 -8.507 361 H LYS 41 H LYS 41 -7.825 13.970 -5.324 362 HA LYS 41 HA LYS 41 -9.712 15.304 -3.837 363 HB2 LYS 41 HB2 LYS 41 -10.205 13.177 -4.837 364 HB3 LYS 41 HB3 LYS 41 -8.983 12.375 -3.862 365 HG2 LYS 41 HG2 LYS 41 -10.297 12.820 -1.847 366 HG3 LYS 41 HG3 LYS 41 -11.530 13.609 -2.833 367 HD2 LYS 41 HD2 LYS 41 -11.947 11.529 -4.013 368 HD3 LYS 41 HD3 LYS 41 -10.656 10.736 -3.116 369 HE2 LYS 41 HE2 LYS 41 -11.852 10.876 -1.086 370 HE3 LYS 41 HE3 LYS 41 -13.033 11.991 -1.768 371 HZ1 LYS 41 HZ1 LYS 41 -12.689 9.147 -2.562 372 HZ2 LYS 41 HZ2 LYS 41 -13.847 10.216 -3.177 373 HZ3 LYS 41 HZ3 LYS 41 -13.911 9.744 -1.557 374 H TYR 42 H TYR 42 -6.895 13.519 -2.673 375 HA TYR 42 HA TYR 42 -7.457 14.528 0.032 376 HB2 TYR 42 HB2 TYR 42 -5.947 12.102 -0.927 377 HB3 TYR 42 HB3 TYR 42 -5.758 12.727 0.712 378 HD1 TYR 42 HD2 TYR 42 -7.680 12.652 2.296 379 HD2 TYR 42 HD1 TYR 42 -7.913 10.935 -1.590 380 HE1 TYR 42 HE2 TYR 42 -9.676 11.392 2.973 381 HE2 TYR 42 HE1 TYR 42 -9.909 9.671 -0.917 382 HH TYR 42 HH TYR 42 -11.614 10.303 1.957 383 H HIS 43 H HIS 43 -6.223 16.043 -2.137 384 HA HIS 43 HA HIS 43 -3.427 16.223 -1.698 385 HB2 HIS 43 HB2 HIS 43 -5.120 17.170 -3.609 386 HB3 HIS 43 HB3 HIS 43 -4.819 18.635 -2.680 387 HD1 HIS 43 HD1 HIS 43 -2.871 19.922 -3.501 388 HD2 HIS 43 HD2 HIS 43 -2.461 15.862 -4.292 389 HE1 HIS 43 HE1 HIS 43 -0.703 19.694 -4.740 390 HE2 HIS 43 HE2 HIS 43 -0.409 17.220 -5.093 391 HA PRO 44 HA PRO 44 -2.735 18.071 2.153 392 HB2 PRO 44 HB2 PRO 44 -1.546 20.489 1.144 393 HB3 PRO 44 HB3 PRO 44 -0.760 19.096 1.875 394 HG2 PRO 44 HG2 PRO 44 -1.145 19.763 -0.962 395 HG3 PRO 44 HG3 PRO 44 0.071 18.716 -0.205 396 HD2 PRO 44 HD2 PRO 44 -1.932 17.711 -1.653 397 HD3 PRO 44 HD3 PRO 44 -1.349 16.873 -0.202 398 H ASP 45 H ASP 45 -3.878 20.526 -0.171 399 HA ASP 45 HA ASP 45 -4.720 22.295 1.883 400 HB2 ASP 45 HB2 ASP 45 -4.086 23.238 -0.214 401 HB3 ASP 45 HB3 ASP 45 -5.222 22.220 -1.086 402 H LYS 46 H LYS 46 -6.175 19.606 0.379 403 HA LYS 46 HA LYS 46 -8.904 20.348 0.904 404 HB2 LYS 46 HB2 LYS 46 -7.674 17.653 0.325 405 HB3 LYS 46 HB3 LYS 46 -9.379 18.038 0.256 406 HG2 LYS 46 HG2 LYS 46 -8.290 19.904 -1.408 407 HG3 LYS 46 HG3 LYS 46 -7.270 18.497 -1.681 408 HD2 LYS 46 HD2 LYS 46 -9.218 17.140 -2.181 409 HD3 LYS 46 HD3 LYS 46 -10.283 18.501 -1.826 410 HE2 LYS 46 HE2 LYS 46 -8.182 18.544 -3.979 411 HE3 LYS 46 HE3 LYS 46 -9.855 18.073 -4.266 412 HZ1 LYS 46 HZ1 LYS 46 -9.469 20.396 -4.808 413 HZ2 LYS 46 HZ2 LYS 46 -8.953 20.709 -3.231 414 HZ3 LYS 46 HZ3 LYS 46 -10.556 20.262 -3.521 415 H ASN 47 H ASN 47 -6.504 19.751 2.985 416 HA ASN 47 HA ASN 47 -7.871 17.677 4.526 417 HB2 ASN 47 HB2 ASN 47 -5.044 18.692 4.784 418 HB3 ASN 47 HB3 ASN 47 -5.740 17.367 5.693 419 HD21 ASN 47 HD21 ASN 47 -6.119 18.091 2.256 420 HD22 ASN 47 HD22 ASN 47 -5.419 16.608 1.715 421 HA PRO 48 HA PRO 48 -8.562 20.673 7.768 422 HB2 PRO 48 HB2 PRO 48 -9.717 18.760 9.436 423 HB3 PRO 48 HB3 PRO 48 -10.573 19.790 8.293 424 HG2 PRO 48 HG2 PRO 48 -10.296 16.987 8.163 425 HG3 PRO 48 HG3 PRO 48 -10.939 18.051 6.902 426 HD2 PRO 48 HD2 PRO 48 -8.239 16.841 7.166 427 HD3 PRO 48 HD3 PRO 48 -9.150 17.286 5.709 428 H ASP 49 H ASP 49 -8.638 19.923 10.387 429 HA ASP 49 HA ASP 49 -5.937 20.147 11.090 430 HB2 ASP 49 HB2 ASP 49 -7.844 21.008 12.375 431 HB3 ASP 49 HB3 ASP 49 -8.305 19.361 12.789 432 H ASN 50 H ASN 50 -8.138 17.400 11.065 433 HA ASN 50 HA ASN 50 -6.395 15.558 12.316 434 HB2 ASN 50 HB2 ASN 50 -7.926 13.845 11.162 435 HB3 ASN 50 HB3 ASN 50 -8.666 14.940 12.320 436 HD21 ASN 50 HD21 ASN 50 -8.487 13.955 9.030 437 HD22 ASN 50 HD22 ASN 50 -9.769 14.945 8.440 438 HA PRO 51 HA PRO 51 -3.635 14.929 8.861 439 HB2 PRO 51 HB2 PRO 51 -2.017 13.137 10.049 440 HB3 PRO 51 HB3 PRO 51 -1.992 14.851 10.479 441 HG2 PRO 51 HG2 PRO 51 -3.304 12.563 11.889 442 HG3 PRO 51 HG3 PRO 51 -2.396 13.925 12.571 443 HD2 PRO 51 HD2 PRO 51 -5.129 13.800 12.501 444 HD3 PRO 51 HD3 PRO 51 -4.214 15.319 12.513 445 H GLU 52 H GLU 52 -6.157 13.214 9.475 446 HA GLU 52 HA GLU 52 -5.562 10.528 8.800 447 HB2 GLU 52 HB2 GLU 52 -7.636 11.202 9.940 448 HB3 GLU 52 HB3 GLU 52 -8.109 12.122 8.509 449 HG2 GLU 52 HG2 GLU 52 -8.245 10.084 7.216 450 HG3 GLU 52 HG3 GLU 52 -7.719 9.140 8.607 451 H ALA 53 H ALA 53 -6.705 13.312 7.000 452 HA ALA 53 HA ALA 53 -6.913 12.005 4.498 453 HB1 ALA 53 HB1 ALA 53 -7.349 14.183 3.627 454 HB2 ALA 53 HB2 ALA 53 -6.601 14.947 5.031 455 HB3 ALA 53 HB3 ALA 53 -8.115 14.062 5.217 456 H ALA 54 H ALA 54 -4.345 13.559 6.227 457 HA ALA 54 HA ALA 54 -2.501 13.749 4.055 458 HB1 ALA 54 HB1 ALA 54 -2.005 13.654 7.031 459 HB2 ALA 54 HB2 ALA 54 -2.251 15.112 6.069 460 HB3 ALA 54 HB3 ALA 54 -0.822 14.112 5.805 461 H ASP 55 H ASP 55 -3.142 11.441 6.631 462 HA ASP 55 HA ASP 55 -1.232 9.479 6.098 463 HB2 ASP 55 HB2 ASP 55 -3.315 9.729 7.819 464 HB3 ASP 55 HB3 ASP 55 -3.980 8.582 6.678 465 H LYS 56 H LYS 56 -4.479 9.933 4.915 466 HA LYS 56 HA LYS 56 -4.769 7.909 3.088 467 HB2 LYS 56 HB2 LYS 56 -5.827 10.592 3.524 468 HB3 LYS 56 HB3 LYS 56 -6.005 10.018 1.870 469 HG2 LYS 56 HG2 LYS 56 -7.125 8.850 4.395 470 HG3 LYS 56 HG3 LYS 56 -7.979 9.509 3.005 471 HD2 LYS 56 HD2 LYS 56 -6.427 6.927 3.136 472 HD3 LYS 56 HD3 LYS 56 -8.169 7.133 2.944 473 HE2 LYS 56 HE2 LYS 56 -7.816 8.154 0.758 474 HE3 LYS 56 HE3 LYS 56 -6.069 7.979 0.953 475 HZ1 LYS 56 HZ1 LYS 56 -8.058 5.787 0.783 476 HZ2 LYS 56 HZ2 LYS 56 -6.421 5.556 1.144 477 HZ3 LYS 56 HZ3 LYS 56 -6.882 6.174 -0.369 478 H PHE 57 H PHE 57 -3.788 11.234 2.258 479 HA PHE 57 HA PHE 57 -3.002 10.722 -0.337 480 HB2 PHE 57 HB2 PHE 57 -3.172 12.994 0.643 481 HB3 PHE 57 HB3 PHE 57 -1.668 12.697 1.514 482 HD1 PHE 57 HD1 PHE 57 -2.041 11.374 -1.850 483 HD2 PHE 57 HD2 PHE 57 -0.683 14.695 0.439 484 HE1 PHE 57 HE1 PHE 57 -0.763 12.195 -3.786 485 HE2 PHE 57 HE2 PHE 57 0.593 15.510 -1.478 486 HZ PHE 57 HZ PHE 57 0.552 14.268 -3.602 487 H LYS 58 H LYS 58 -1.177 10.347 2.603 488 HA LYS 58 HA LYS 58 1.332 9.768 1.567 489 HB2 LYS 58 HB2 LYS 58 0.741 10.187 3.928 490 HB3 LYS 58 HB3 LYS 58 0.009 8.593 4.010 491 HG2 LYS 58 HG2 LYS 58 2.176 7.577 3.573 492 HG3 LYS 58 HG3 LYS 58 2.916 9.176 3.471 493 HD2 LYS 58 HD2 LYS 58 1.732 7.783 5.858 494 HD3 LYS 58 HD3 LYS 58 3.354 8.455 5.666 495 HE2 LYS 58 HE2 LYS 58 0.812 10.073 5.736 496 HE3 LYS 58 HE3 LYS 58 1.877 9.822 7.122 497 HZ1 LYS 58 HZ1 LYS 58 3.638 10.958 5.957 498 HZ2 LYS 58 HZ2 LYS 58 2.268 11.948 5.994 499 HZ3 LYS 58 HZ3 LYS 58 2.679 11.127 4.576 500 H GLU 59 H GLU 59 -1.299 7.509 2.415 501 HA GLU 59 HA GLU 59 0.109 5.215 1.503 502 HB2 GLU 59 HB2 GLU 59 -2.116 4.094 1.687 503 HB3 GLU 59 HB3 GLU 59 -1.536 4.860 3.151 504 HG2 GLU 59 HG2 GLU 59 -2.988 6.745 2.760 505 HG3 GLU 59 HG3 GLU 59 -3.537 6.028 1.250 506 H ILE 60 H ILE 60 -2.255 7.361 -0.064 507 HA ILE 60 HA ILE 60 -2.609 5.912 -2.454 508 HB ILE 60 HB ILE 60 -2.268 8.912 -2.389 509 HG12 ILE 60 HG12 ILE 60 -4.874 7.465 -1.931 510 HG13 ILE 60 HG13 ILE 60 -3.886 8.097 -0.616 511 HG21 ILE 60 HG21 ILE 60 -4.197 7.380 -4.073 512 HG22 ILE 60 HG22 ILE 60 -2.508 7.526 -4.538 513 HG23 ILE 60 HG23 ILE 60 -3.492 8.975 -4.348 514 HD11 ILE 60 HD11 ILE 60 -4.049 10.346 -1.709 515 HD12 ILE 60 HD12 ILE 60 -5.567 9.705 -1.085 516 HD13 ILE 60 HD13 ILE 60 -5.227 9.651 -2.815 517 H ASN 61 H ASN 61 -0.288 8.401 -1.590 518 HA ASN 61 HA ASN 61 1.164 8.394 -3.994 519 HB2 ASN 61 HB2 ASN 61 1.030 10.211 -2.246 520 HB3 ASN 61 HB3 ASN 61 2.116 9.241 -1.249 521 HD21 ASN 61 HD21 ASN 61 3.598 10.914 -1.272 522 HD22 ASN 61 HD22 ASN 61 4.607 11.221 -2.641 523 H ASN 62 H ASN 62 1.395 6.533 -1.066 524 HA ASN 62 HA ASN 62 3.960 5.400 -1.611 525 HB2 ASN 62 HB2 ASN 62 2.558 5.586 0.631 526 HB3 ASN 62 HB3 ASN 62 1.978 4.006 0.115 527 HD21 ASN 62 HD21 ASN 62 3.260 2.273 0.322 528 HD22 ASN 62 HD22 ASN 62 4.842 2.317 1.011 529 H ALA 63 H ALA 63 0.643 4.122 -1.782 530 HA ALA 63 HA ALA 63 1.246 1.627 -2.872 531 HB1 ALA 63 HB1 ALA 63 -1.231 3.308 -3.231 532 HB2 ALA 63 HB2 ALA 63 -0.929 2.139 -1.944 533 HB3 ALA 63 HB3 ALA 63 -1.103 1.591 -3.608 534 H HIS 64 H HIS 64 0.791 4.735 -4.384 535 HA HIS 64 HA HIS 64 0.678 4.214 -7.056 536 HB2 HIS 64 HB2 HIS 64 0.607 6.451 -6.513 537 HB3 HIS 64 HB3 HIS 64 1.953 6.337 -5.393 538 HD1 HIS 64 HD1 HIS 64 1.138 7.083 -8.948 539 HD2 HIS 64 HD2 HIS 64 4.510 6.605 -6.568 540 HE1 HIS 64 HE1 HIS 64 3.049 8.009 -10.285 541 HE2 HIS 64 HE2 HIS 64 5.021 7.920 -8.728 542 H ALA 65 H ALA 65 3.520 3.963 -4.980 543 HA ALA 65 HA ALA 65 5.177 3.186 -7.248 544 HB1 ALA 65 HB1 ALA 65 5.914 3.509 -4.343 545 HB2 ALA 65 HB2 ALA 65 6.104 4.739 -5.593 546 HB3 ALA 65 HB3 ALA 65 7.033 3.242 -5.680 547 H ILE 66 H ILE 66 3.896 1.860 -4.252 548 HA ILE 66 HA ILE 66 5.428 -0.422 -4.053 549 HB ILE 66 HB ILE 66 2.561 -0.251 -3.153 550 HG12 ILE 66 HG12 ILE 66 3.568 1.721 -2.309 551 HG13 ILE 66 HG13 ILE 66 3.588 0.565 -0.984 552 HG21 ILE 66 HG21 ILE 66 3.534 -2.463 -2.964 553 HG22 ILE 66 HG22 ILE 66 3.307 -1.754 -1.366 554 HG23 ILE 66 HG23 ILE 66 4.914 -1.803 -2.088 555 HD11 ILE 66 HD11 ILE 66 5.924 0.122 -1.362 556 HD12 ILE 66 HD12 ILE 66 5.655 1.856 -1.166 557 HD13 ILE 66 HD13 ILE 66 5.922 1.179 -2.778 558 H LEU 67 H LEU 67 2.109 -0.286 -5.428 559 HA LEU 67 HA LEU 67 2.054 -3.107 -5.732 560 HB2 LEU 67 HB2 LEU 67 0.279 -1.011 -6.964 561 HB3 LEU 67 HB3 LEU 67 -0.012 -2.733 -7.064 562 HG LEU 67 HG LEU 67 -1.261 -2.535 -5.243 563 HD11 LEU 67 HD11 LEU 67 0.767 -3.365 -4.136 564 HD12 LEU 67 HD12 LEU 67 -0.219 -2.365 -3.073 565 HD13 LEU 67 HD13 LEU 67 1.244 -1.701 -3.798 566 HD21 LEU 67 HD21 LEU 67 -1.521 -0.177 -5.779 567 HD22 LEU 67 HD22 LEU 67 -0.083 0.202 -4.830 568 HD23 LEU 67 HD23 LEU 67 -1.521 -0.444 -4.034 569 H THR 68 H THR 68 2.972 -0.520 -7.873 570 HA THR 68 HA THR 68 3.043 -2.267 -10.179 571 HB THR 68 HB THR 68 2.361 0.009 -10.569 572 HG1 THR 68 HG1 THR 68 4.655 -1.013 -11.710 573 HG21 THR 68 HG21 THR 68 3.863 1.897 -10.185 574 HG22 THR 68 HG22 THR 68 5.045 0.807 -9.461 575 HG23 THR 68 HG23 THR 68 3.482 1.057 -8.684 576 H ASP 69 H ASP 69 4.995 -1.739 -7.562 577 HA ASP 69 HA ASP 69 7.472 -2.295 -9.034 578 HB2 ASP 69 HB2 ASP 69 7.450 -0.430 -7.317 579 HB3 ASP 69 HB3 ASP 69 7.160 -1.673 -6.094 580 H ALA 70 H ALA 70 8.087 -4.343 -9.173 581 HA ALA 70 HA ALA 70 6.645 -6.455 -8.050 582 HB1 ALA 70 HB1 ALA 70 7.936 -6.717 -10.082 583 HB2 ALA 70 HB2 ALA 70 8.429 -7.907 -8.875 584 HB3 ALA 70 HB3 ALA 70 9.434 -6.491 -9.180 585 H THR 71 H THR 71 9.496 -4.773 -6.871 586 HA THR 71 HA THR 71 10.067 -6.792 -4.884 587 HB THR 71 HB THR 71 11.249 -4.043 -5.298 588 HG1 THR 71 HG1 THR 71 12.398 -6.613 -5.768 589 HG21 THR 71 HG21 THR 71 12.075 -6.273 -3.438 590 HG22 THR 71 HG22 THR 71 11.403 -4.711 -2.965 591 HG23 THR 71 HG23 THR 71 12.992 -4.795 -3.732 592 H LYS 72 H LYS 72 8.857 -3.421 -4.827 593 HA LYS 72 HA LYS 72 8.616 -3.261 -2.031 594 HB2 LYS 72 HB2 LYS 72 7.915 -1.629 -4.281 595 HB3 LYS 72 HB3 LYS 72 6.576 -1.673 -3.150 596 HG2 LYS 72 HG2 LYS 72 7.673 0.058 -2.228 597 HG3 LYS 72 HG3 LYS 72 8.568 -1.229 -1.425 598 HD2 LYS 72 HD2 LYS 72 10.084 0.437 -2.324 599 HD3 LYS 72 HD3 LYS 72 10.287 -1.096 -3.176 600 HE2 LYS 72 HE2 LYS 72 8.986 -0.292 -5.025 601 HE3 LYS 72 HE3 LYS 72 8.602 1.199 -4.164 602 HZ1 LYS 72 HZ1 LYS 72 10.343 1.567 -5.769 603 HZ2 LYS 72 HZ2 LYS 72 11.282 0.327 -5.102 604 HZ3 LYS 72 HZ3 LYS 72 10.982 1.738 -4.211 605 H ARG 73 H ARG 73 6.514 -4.600 -4.459 606 HA ARG 73 HA ARG 73 4.384 -4.994 -2.522 607 HB2 ARG 73 HB2 ARG 73 3.059 -5.896 -4.275 608 HB3 ARG 73 HB3 ARG 73 3.890 -4.501 -4.940 609 HG2 ARG 73 HG2 ARG 73 5.533 -6.030 -5.983 610 HG3 ARG 73 HG3 ARG 73 4.583 -7.396 -5.387 611 HD2 ARG 73 HD2 ARG 73 2.625 -6.509 -6.618 612 HD3 ARG 73 HD3 ARG 73 3.652 -5.241 -7.280 613 HE ARG 73 HE ARG 73 4.660 -7.876 -7.789 614 HH11 ARG 73 HH11 ARG 73 2.471 -5.382 -8.907 615 HH12 ARG 73 HH12 ARG 73 2.369 -6.017 -10.519 616 HH21 ARG 73 HH21 ARG 73 4.541 -8.701 -9.919 617 HH22 ARG 73 HH22 ARG 73 3.557 -7.895 -11.098 618 H ASN 74 H ASN 74 7.074 -6.638 -3.849 619 HA ASN 74 HA ASN 74 6.457 -9.290 -3.209 620 HB2 ASN 74 HB2 ASN 74 8.380 -8.702 -4.604 621 HB3 ASN 74 HB3 ASN 74 9.140 -7.900 -3.234 622 HD21 ASN 74 HD21 ASN 74 10.043 -9.111 -1.610 623 HD22 ASN 74 HD22 ASN 74 10.393 -10.790 -1.794 624 H ILE 75 H ILE 75 8.561 -7.065 -1.311 625 HA ILE 75 HA ILE 75 8.579 -8.845 0.899 626 HB ILE 75 HB ILE 75 9.742 -7.261 2.177 627 HG12 ILE 75 HG12 ILE 75 8.199 -5.348 1.857 628 HG13 ILE 75 HG13 ILE 75 9.891 -4.891 1.728 629 HG21 ILE 75 HG21 ILE 75 10.497 -6.747 -0.683 630 HG22 ILE 75 HG22 ILE 75 10.977 -8.145 0.283 631 HG23 ILE 75 HG23 ILE 75 11.528 -6.531 0.732 632 HD11 ILE 75 HD11 ILE 75 8.529 -3.773 0.069 633 HD12 ILE 75 HD12 ILE 75 8.000 -5.335 -0.564 634 HD13 ILE 75 HD13 ILE 75 9.695 -4.854 -0.695 635 H TYR 76 H TYR 76 6.521 -6.184 -0.003 636 HA TYR 76 HA TYR 76 5.120 -5.729 2.339 637 HB2 TYR 76 HB2 TYR 76 4.494 -4.265 0.687 638 HB3 TYR 76 HB3 TYR 76 4.556 -5.490 -0.570 639 HD1 TYR 76 HD1 TYR 76 2.610 -6.940 -0.982 640 HD2 TYR 76 HD2 TYR 76 2.496 -3.804 1.892 641 HE1 TYR 76 HE1 TYR 76 0.155 -7.093 -0.917 642 HE2 TYR 76 HE2 TYR 76 0.046 -3.951 1.964 643 HH TYR 76 HH TYR 76 -1.786 -4.726 0.567 644 H ASP 77 H ASP 77 4.774 -8.282 -0.039 645 HA ASP 77 HA ASP 77 2.511 -9.452 1.360 646 HB2 ASP 77 HB2 ASP 77 2.469 -9.494 -1.058 647 HB3 ASP 77 HB3 ASP 77 4.032 -10.302 -1.111 648 H LYS 78 H LYS 78 5.921 -10.042 0.841 649 HA LYS 78 HA LYS 78 5.978 -12.661 1.934 650 HB2 LYS 78 HB2 LYS 78 7.949 -10.701 1.011 651 HB3 LYS 78 HB3 LYS 78 8.527 -11.715 2.321 652 HG2 LYS 78 HG2 LYS 78 9.179 -12.958 0.531 653 HG3 LYS 78 HG3 LYS 78 7.582 -13.646 0.815 654 HD2 LYS 78 HD2 LYS 78 8.116 -11.426 -1.146 655 HD3 LYS 78 HD3 LYS 78 8.153 -13.130 -1.586 656 HE2 LYS 78 HE2 LYS 78 5.777 -11.726 -0.382 657 HE3 LYS 78 HE3 LYS 78 6.017 -11.967 -2.110 658 HZ1 LYS 78 HZ1 LYS 78 5.930 -14.327 -1.800 659 HZ2 LYS 78 HZ2 LYS 78 4.558 -13.637 -1.082 660 HZ3 LYS 78 HZ3 LYS 78 5.843 -14.161 -0.119 661 H TYR 79 H TYR 79 7.058 -9.555 3.310 662 HA TYR 79 HA TYR 79 6.651 -10.707 5.993 663 HB2 TYR 79 HB2 TYR 79 8.883 -8.801 5.278 664 HB3 TYR 79 HB3 TYR 79 8.631 -9.626 6.810 665 HD1 TYR 79 HD2 TYR 79 8.866 -12.161 6.853 666 HD2 TYR 79 HD1 TYR 79 10.198 -9.768 3.600 667 HE1 TYR 79 HE2 TYR 79 10.343 -13.986 6.124 668 HE2 TYR 79 HE1 TYR 79 11.678 -11.586 2.860 669 HH TYR 79 HH TYR 79 12.791 -13.543 3.787 670 H GLY 80 H GLY 80 7.450 -7.585 4.465 671 HA2 GLY 80 HA2 GLY 80 6.051 -5.748 4.220 672 HA3 GLY 80 HA3 GLY 80 4.859 -6.532 5.249 673 H SER 81 H SER 81 6.536 -6.962 7.507 674 HA SER 81 HA SER 81 6.085 -4.532 8.829 675 HB2 SER 81 HB2 SER 81 7.556 -5.698 10.632 676 HB3 SER 81 HB3 SER 81 6.014 -6.427 10.186 677 HG SER 81 HG SER 81 7.530 -8.040 10.145 678 H LEU 82 H LEU 82 9.264 -6.093 8.522 679 HA LEU 82 HA LEU 82 10.616 -3.564 8.788 680 HB2 LEU 82 HB2 LEU 82 11.691 -5.428 9.788 681 HB3 LEU 82 HB3 LEU 82 11.520 -6.403 8.346 682 HG LEU 82 HG LEU 82 13.196 -5.004 7.203 683 HD11 LEU 82 HD11 LEU 82 13.502 -3.662 9.880 684 HD12 LEU 82 HD12 LEU 82 12.829 -2.931 8.424 685 HD13 LEU 82 HD13 LEU 82 14.524 -3.411 8.463 686 HD21 LEU 82 HD21 LEU 82 14.099 -6.135 9.848 687 HD22 LEU 82 HD22 LEU 82 15.137 -5.796 8.462 688 HD23 LEU 82 HD23 LEU 82 13.889 -7.038 8.347 689 H GLY 83 H GLY 83 10.313 -6.025 6.277 690 HA2 GLY 83 HA2 GLY 83 11.968 -5.132 4.336 691 HA3 GLY 83 HA3 GLY 83 10.454 -5.936 3.988 692 H LEU 84 H LEU 84 8.595 -3.979 4.648 693 HA LEU 84 HA LEU 84 8.767 -2.496 2.223 694 HB2 LEU 84 HB2 LEU 84 6.653 -3.380 3.181 695 HB3 LEU 84 HB3 LEU 84 6.771 -2.194 4.464 696 HG LEU 84 HG LEU 84 6.625 -0.390 2.752 697 HD11 LEU 84 HD11 LEU 84 6.108 -2.702 0.889 698 HD12 LEU 84 HD12 LEU 84 7.453 -1.565 0.816 699 HD13 LEU 84 HD13 LEU 84 5.809 -1.009 0.504 700 HD21 LEU 84 HD21 LEU 84 4.346 -2.365 2.769 701 HD22 LEU 84 HD22 LEU 84 4.233 -0.661 2.331 702 HD23 LEU 84 HD23 LEU 84 4.649 -1.121 3.982 703 H TYR 85 H TYR 85 9.395 -1.764 5.567 704 HA TYR 85 HA TYR 85 9.441 1.088 5.160 705 HB2 TYR 85 HB2 TYR 85 8.996 0.989 7.348 706 HB3 TYR 85 HB3 TYR 85 9.370 -0.725 7.391 707 HD1 TYR 85 HD2 TYR 85 11.655 -1.475 7.996 708 HD2 TYR 85 HD1 TYR 85 10.531 2.624 8.146 709 HE1 TYR 85 HE2 TYR 85 13.630 -0.989 9.377 710 HE2 TYR 85 HE1 TYR 85 12.508 3.124 9.518 711 HH TYR 85 HH TYR 85 15.055 0.896 9.950 712 H VAL 86 H VAL 86 11.801 -1.513 5.446 713 HA VAL 86 HA VAL 86 14.053 0.230 5.589 714 HB VAL 86 HB VAL 86 14.327 -1.899 6.574 715 HG11 VAL 86 HG11 VAL 86 13.694 -3.172 3.928 716 HG12 VAL 86 HG12 VAL 86 12.590 -3.062 5.301 717 HG13 VAL 86 HG13 VAL 86 14.076 -3.994 5.439 718 HG21 VAL 86 HG21 VAL 86 16.201 -2.940 5.309 719 HG22 VAL 86 HG22 VAL 86 16.372 -1.205 5.591 720 HG23 VAL 86 HG23 VAL 86 15.872 -1.797 4.005 721 H ALA 87 H ALA 87 12.321 -1.335 2.961 722 HA ALA 87 HA ALA 87 14.337 -1.035 1.008 723 HB1 ALA 87 HB1 ALA 87 11.369 -1.114 0.530 724 HB2 ALA 87 HB2 ALA 87 12.399 -2.531 0.739 725 HB3 ALA 87 HB3 ALA 87 12.649 -1.455 -0.637 726 H GLU 88 H GLU 88 11.853 1.134 2.172 727 HA GLU 88 HA GLU 88 11.964 3.040 0.106 728 HB2 GLU 88 HB2 GLU 88 11.402 3.528 3.031 729 HB3 GLU 88 HB3 GLU 88 10.936 4.565 1.692 730 HG2 GLU 88 HG2 GLU 88 9.453 2.834 0.851 731 HG3 GLU 88 HG3 GLU 88 9.938 1.769 2.171 732 H GLN 89 H GLN 89 13.816 2.676 3.086 733 HA GLN 89 HA GLN 89 15.234 5.163 2.616 734 HB2 GLN 89 HB2 GLN 89 15.688 3.138 4.807 735 HB3 GLN 89 HB3 GLN 89 16.242 4.804 4.774 736 HG2 GLN 89 HG2 GLN 89 13.392 3.863 4.987 737 HG3 GLN 89 HG3 GLN 89 14.367 4.577 6.269 738 HE21 GLN 89 HE21 GLN 89 14.848 6.785 6.186 739 HE22 GLN 89 HE22 GLN 89 13.916 7.878 5.225 740 H PHE 90 H PHE 90 15.870 1.693 2.618 741 HA PHE 90 HA PHE 90 18.692 2.152 2.174 742 HB2 PHE 90 HB2 PHE 90 17.040 -0.273 2.792 743 HB3 PHE 90 HB3 PHE 90 18.698 -0.445 2.193 744 HD1 PHE 90 HD1 PHE 90 16.631 0.992 4.896 745 HD2 PHE 90 HD2 PHE 90 20.543 -0.089 3.616 746 HE1 PHE 90 HE1 PHE 90 17.468 1.328 7.182 747 HE2 PHE 90 HE2 PHE 90 21.388 0.249 5.902 748 HZ PHE 90 HZ PHE 90 19.875 1.023 7.669 749 H GLY 91 H GLY 91 15.895 1.239 0.249 750 HA2 GLY 91 HA2 GLY 91 16.042 1.852 -2.081 751 HA3 GLY 91 HA3 GLY 91 17.742 1.412 -2.051 752 H GLU 92 H GLU 92 15.426 -0.627 -0.533 753 HA GLU 92 HA GLU 92 14.422 -2.603 -1.007 754 HB2 GLU 92 HB2 GLU 92 15.066 -2.275 -3.925 755 HB3 GLU 92 HB3 GLU 92 13.708 -3.100 -3.183 756 HG2 GLU 92 HG2 GLU 92 12.586 -1.106 -2.725 757 HG3 GLU 92 HG3 GLU 92 14.049 -0.142 -2.955 758 H GLU 93 H GLU 93 17.108 -2.304 -3.321 759 HA GLU 93 HA GLU 93 17.723 -5.064 -3.323 760 HB2 GLU 93 HB2 GLU 93 19.772 -4.381 -4.520 761 HB3 GLU 93 HB3 GLU 93 18.335 -3.607 -5.175 762 HG2 GLU 93 HG2 GLU 93 18.884 -1.578 -3.876 763 HG3 GLU 93 HG3 GLU 93 20.365 -2.362 -3.335 764 H ASN 94 H ASN 94 18.928 -2.367 -1.453 765 HA ASN 94 HA ASN 94 21.222 -3.693 -0.421 766 HB2 ASN 94 HB2 ASN 94 19.783 -1.151 0.224 767 HB3 ASN 94 HB3 ASN 94 21.058 -1.742 1.279 768 HD21 ASN 94 HD21 ASN 94 20.907 0.649 -0.424 769 HD22 ASN 94 HD22 ASN 94 22.284 0.562 -1.467 770 H VAL 95 H VAL 95 17.966 -3.281 0.676 771 HA VAL 95 HA VAL 95 18.055 -3.727 3.359 772 HB VAL 95 HB VAL 95 15.802 -4.295 3.322 773 HG11 VAL 95 HG11 VAL 95 16.320 -2.120 2.216 774 HG12 VAL 95 HG12 VAL 95 14.764 -2.823 1.778 775 HG13 VAL 95 HG13 VAL 95 16.126 -2.933 0.664 776 HG21 VAL 95 HG21 VAL 95 15.929 -6.351 2.057 777 HG22 VAL 95 HG22 VAL 95 16.204 -5.449 0.565 778 HG23 VAL 95 HG23 VAL 95 14.650 -5.329 1.396 779 H ASN 96 H ASN 96 18.608 -6.035 0.839 780 HA ASN 96 HA ASN 96 18.042 -8.427 2.134 781 HB2 ASN 96 HB2 ASN 96 18.539 -8.123 -0.291 782 HB3 ASN 96 HB3 ASN 96 20.240 -7.942 0.124 783 HD21 ASN 96 HD21 ASN 96 21.440 -9.736 0.648 784 HD22 ASN 96 HD22 ASN 96 20.840 -11.352 0.499 785 H THR 97 H THR 97 20.505 -6.154 2.714 786 HA THR 97 HA THR 97 22.485 -7.801 3.849 787 HB THR 97 HB THR 97 22.881 -5.454 3.217 788 HG1 THR 97 HG1 THR 97 24.064 -6.589 5.020 789 HG21 THR 97 HG21 THR 97 20.812 -4.414 3.846 790 HG22 THR 97 HG22 THR 97 22.123 -3.643 4.748 791 HG23 THR 97 HG23 THR 97 21.077 -4.818 5.547 792 H TYR 98 H TYR 98 19.567 -6.355 5.154 793 HA TYR 98 HA TYR 98 20.112 -7.366 7.830 794 HB2 TYR 98 HB2 TYR 98 17.809 -5.824 6.630 795 HB3 TYR 98 HB3 TYR 98 17.788 -6.430 8.290 796 HD1 TYR 98 HD2 TYR 98 19.775 -5.672 9.796 797 HD2 TYR 98 HD1 TYR 98 18.665 -3.726 6.182 798 HE1 TYR 98 HE2 TYR 98 20.956 -3.646 10.531 799 HE2 TYR 98 HE1 TYR 98 19.850 -1.699 6.903 800 HH TYR 98 HH TYR 98 20.578 -0.644 9.009 801 H PHE 99 H PHE 99 18.719 -8.421 4.961 802 HA PHE 99 HA PHE 99 16.873 -10.262 6.278 803 HB2 PHE 99 HB2 PHE 99 17.144 -9.242 3.464 804 HB3 PHE 99 HB3 PHE 99 16.170 -10.660 3.813 805 HD1 PHE 99 HD2 PHE 99 16.524 -7.081 4.271 806 HD2 PHE 99 HD1 PHE 99 14.104 -10.485 5.010 807 HE1 PHE 99 HE2 PHE 99 14.637 -5.602 4.869 808 HE2 PHE 99 HE1 PHE 99 12.217 -9.042 5.606 809 HZ PHE 99 HZ PHE 99 12.485 -6.617 5.634 810 H VAL 100 H VAL 100 16.820 -12.159 4.188 811 HA VAL 100 HA VAL 100 18.332 -14.164 5.134 812 HB VAL 100 HB VAL 100 16.590 -14.613 3.560 813 HG11 VAL 100 HG11 VAL 100 18.313 -13.298 1.466 814 HG12 VAL 100 HG12 VAL 100 16.809 -12.662 2.129 815 HG13 VAL 100 HG13 VAL 100 16.793 -14.141 1.166 816 HG21 VAL 100 HG21 VAL 100 18.300 -16.317 3.709 817 HG22 VAL 100 HG22 VAL 100 19.251 -15.510 2.463 818 HG23 VAL 100 HG23 VAL 100 17.690 -16.224 2.056 Start of MODEL 3 1 H1 MET -4 H1 MET -4 -12.526 -26.843 -18.270 2 H2 MET -4 H2 MET -4 -13.122 -27.451 -19.732 3 H3 MET -4 H3 MET -4 -13.909 -27.815 -18.282 4 HA MET -4 HA MET -4 -13.649 -25.107 -19.436 5 HB2 MET -4 HB2 MET -4 -15.135 -26.453 -20.805 6 HB3 MET -4 HB3 MET -4 -15.996 -27.012 -19.377 7 HG2 MET -4 HG2 MET -4 -17.239 -25.294 -20.589 8 HG3 MET -4 HG3 MET -4 -16.818 -24.780 -18.956 9 HE1 MET -4 HE1 MET -4 -17.314 -22.250 -19.492 10 HE2 MET -4 HE2 MET -4 -17.821 -22.720 -21.114 11 HE3 MET -4 HE3 MET -4 -16.670 -21.402 -20.898 12 H ARG -3 H ARG -3 -13.936 -23.547 -17.994 13 HA ARG -3 HA ARG -3 -14.896 -24.256 -15.331 14 HB2 ARG -3 HB2 ARG -3 -13.719 -21.672 -16.373 15 HB3 ARG -3 HB3 ARG -3 -14.162 -21.979 -14.700 16 HG2 ARG -3 HG2 ARG -3 -12.517 -23.830 -14.657 17 HG3 ARG -3 HG3 ARG -3 -12.021 -23.372 -16.287 18 HD2 ARG -3 HD2 ARG -3 -11.375 -21.166 -15.484 19 HD3 ARG -3 HD3 ARG -3 -11.914 -21.588 -13.859 20 HE ARG -3 HE ARG -3 -9.752 -23.084 -15.185 21 HH11 ARG -3 HH11 ARG -3 -10.930 -21.168 -12.504 22 HH12 ARG -3 HH12 ARG -3 -9.546 -21.476 -11.507 23 HH21 ARG -3 HH21 ARG -3 -7.927 -23.490 -13.885 24 HH22 ARG -3 HH22 ARG -3 -7.832 -22.806 -12.295 25 H SER -2 H SER -2 -17.017 -24.257 -15.114 26 HA SER -2 HA SER -2 -18.841 -22.913 -16.767 27 HB2 SER -2 HB2 SER -2 -19.319 -23.875 -13.939 28 HB3 SER -2 HB3 SER -2 -20.526 -23.651 -15.204 29 HG SER -2 HG SER -2 -20.149 -25.717 -15.481 30 HA PRO -1 HA PRO -1 -18.379 -18.819 -14.983 31 HB2 PRO -1 HB2 PRO -1 -20.405 -17.667 -16.408 32 HB3 PRO -1 HB3 PRO -1 -18.785 -17.937 -17.058 33 HG2 PRO -1 HG2 PRO -1 -21.273 -19.547 -17.439 34 HG3 PRO -1 HG3 PRO -1 -20.026 -19.112 -18.623 35 HD2 PRO -1 HD2 PRO -1 -20.145 -21.550 -17.465 36 HD3 PRO -1 HD3 PRO -1 -18.609 -20.793 -17.933 37 H GLY 0 H GLY 0 -19.442 -17.666 -13.395 38 HA2 GLY 0 HA2 GLY 0 -21.537 -17.130 -12.240 39 HA3 GLY 0 HA3 GLY 0 -22.032 -18.793 -12.529 40 H MET 1 H MET 1 -18.792 -17.963 -11.596 41 HA MET 1 HA MET 1 -18.680 -19.723 -9.434 42 HB2 MET 1 HB2 MET 1 -16.985 -17.276 -9.976 43 HB3 MET 1 HB3 MET 1 -16.590 -18.540 -8.822 44 HG2 MET 1 HG2 MET 1 -15.305 -18.980 -10.736 45 HG3 MET 1 HG3 MET 1 -16.616 -20.155 -10.754 46 HE1 MET 1 HE1 MET 1 -16.577 -16.319 -11.803 47 HE2 MET 1 HE2 MET 1 -16.286 -16.486 -13.534 48 HE3 MET 1 HE3 MET 1 -15.051 -16.989 -12.381 49 H ALA 2 H ALA 2 -19.431 -19.595 -7.432 50 HA ALA 2 HA ALA 2 -20.883 -17.249 -6.624 51 HB1 ALA 2 HB1 ALA 2 -20.430 -19.835 -5.144 52 HB2 ALA 2 HB2 ALA 2 -21.782 -19.492 -6.222 53 HB3 ALA 2 HB3 ALA 2 -21.598 -18.584 -4.721 54 H ASP 3 H ASP 3 -19.052 -15.825 -6.534 55 HA ASP 3 HA ASP 3 -17.513 -16.052 -4.050 56 HB2 ASP 3 HB2 ASP 3 -17.224 -14.343 -6.503 57 HB3 ASP 3 HB3 ASP 3 -16.411 -13.921 -5.000 58 H GLN 4 H GLN 4 -18.480 -15.243 -2.315 59 HA GLN 4 HA GLN 4 -20.799 -13.579 -2.566 60 HB2 GLN 4 HB2 GLN 4 -21.083 -13.875 -0.230 61 HB3 GLN 4 HB3 GLN 4 -20.452 -15.399 -0.837 62 HG2 GLN 4 HG2 GLN 4 -18.223 -14.790 -0.082 63 HG3 GLN 4 HG3 GLN 4 -18.839 -13.243 0.498 64 HE21 GLN 4 HE21 GLN 4 -21.327 -14.465 1.467 65 HE22 GLN 4 HE22 GLN 4 -20.902 -15.290 2.924 66 H ARG 5 H ARG 5 -20.927 -11.767 -0.692 67 HA ARG 5 HA ARG 5 -19.209 -9.686 -1.599 68 HB2 ARG 5 HB2 ARG 5 -21.023 -9.655 0.822 69 HB3 ARG 5 HB3 ARG 5 -20.356 -8.256 -0.007 70 HG2 ARG 5 HG2 ARG 5 -22.494 -10.134 -0.930 71 HG3 ARG 5 HG3 ARG 5 -22.549 -8.378 -0.771 72 HD2 ARG 5 HD2 ARG 5 -21.004 -8.136 -2.619 73 HD3 ARG 5 HD3 ARG 5 -20.843 -9.888 -2.742 74 HE ARG 5 HE ARG 5 -23.555 -9.037 -3.027 75 HH11 ARG 5 HH11 ARG 5 -20.507 -9.315 -4.718 76 HH12 ARG 5 HH12 ARG 5 -21.240 -9.463 -6.284 77 HH21 ARG 5 HH21 ARG 5 -24.529 -9.232 -5.096 78 HH22 ARG 5 HH22 ARG 5 -23.522 -9.410 -6.497 79 H GLN 6 H GLN 6 -19.458 -11.465 1.473 80 HA GLN 6 HA GLN 6 -17.191 -10.137 2.600 81 HB2 GLN 6 HB2 GLN 6 -18.723 -12.579 3.478 82 HB3 GLN 6 HB3 GLN 6 -17.380 -11.903 4.389 83 HG2 GLN 6 HG2 GLN 6 -18.633 -9.770 4.546 84 HG3 GLN 6 HG3 GLN 6 -19.999 -10.565 3.765 85 HE21 GLN 6 HE21 GLN 6 -21.333 -10.289 5.531 86 HE22 GLN 6 HE22 GLN 6 -21.136 -11.185 6.997 87 H ARG 7 H ARG 7 -16.956 -11.675 0.076 88 HA ARG 7 HA ARG 7 -14.821 -13.532 0.796 89 HB2 ARG 7 HB2 ARG 7 -16.140 -14.692 -0.672 90 HB3 ARG 7 HB3 ARG 7 -16.712 -13.242 -1.473 91 HG2 ARG 7 HG2 ARG 7 -15.478 -14.441 -3.062 92 HG3 ARG 7 HG3 ARG 7 -14.464 -13.089 -2.563 93 HD2 ARG 7 HD2 ARG 7 -13.112 -14.507 -1.204 94 HD3 ARG 7 HD3 ARG 7 -14.227 -15.862 -1.407 95 HE ARG 7 HE ARG 7 -13.577 -15.520 -3.913 96 HH11 ARG 7 HH11 ARG 7 -11.456 -15.295 -1.129 97 HH12 ARG 7 HH12 ARG 7 -10.042 -15.776 -2.010 98 HH21 ARG 7 HH21 ARG 7 -11.719 -16.162 -5.064 99 HH22 ARG 7 HH22 ARG 7 -10.191 -16.265 -4.249 100 H SER 8 H SER 8 -15.531 -10.558 -0.912 101 HA SER 8 HA SER 8 -12.690 -10.318 -1.602 102 HB2 SER 8 HB2 SER 8 -14.232 -10.299 -3.514 103 HB3 SER 8 HB3 SER 8 -15.046 -8.890 -2.837 104 HG SER 8 HG SER 8 -12.344 -9.064 -3.703 105 H LEU 9 H LEU 9 -15.468 -8.295 -0.549 106 HA LEU 9 HA LEU 9 -13.782 -6.101 0.089 107 HB2 LEU 9 HB2 LEU 9 -15.751 -5.071 1.091 108 HB3 LEU 9 HB3 LEU 9 -16.097 -5.721 -0.496 109 HG LEU 9 HG LEU 9 -16.995 -7.781 0.878 110 HD11 LEU 9 HD11 LEU 9 -16.268 -6.963 3.063 111 HD12 LEU 9 HD12 LEU 9 -18.021 -7.125 2.985 112 HD13 LEU 9 HD13 LEU 9 -17.277 -5.530 2.864 113 HD21 LEU 9 HD21 LEU 9 -18.342 -6.434 -0.606 114 HD22 LEU 9 HD22 LEU 9 -18.454 -5.158 0.607 115 HD23 LEU 9 HD23 LEU 9 -19.217 -6.720 0.898 116 H SER 10 H SER 10 -14.840 -8.878 1.857 117 HA SER 10 HA SER 10 -13.972 -7.823 4.395 118 HB2 SER 10 HB2 SER 10 -14.806 -10.618 3.639 119 HB3 SER 10 HB3 SER 10 -14.562 -10.024 5.283 120 HG SER 10 HG SER 10 -16.411 -8.983 5.196 121 H THR 11 H THR 11 -13.024 -10.829 2.720 122 HA THR 11 HA THR 11 -10.343 -10.502 3.800 123 HB THR 11 HB THR 11 -10.031 -12.786 2.651 124 HG1 THR 11 HG1 THR 11 -11.914 -12.613 1.311 125 HG21 THR 11 HG21 THR 11 -10.304 -12.542 5.066 126 HG22 THR 11 HG22 THR 11 -11.164 -13.967 4.485 127 HG23 THR 11 HG23 THR 11 -12.055 -12.495 4.873 128 H SER 12 H SER 12 -9.418 -8.884 2.595 129 HA SER 12 HA SER 12 -9.286 -9.295 -0.297 130 HB2 SER 12 HB2 SER 12 -8.433 -6.949 -0.364 131 HB3 SER 12 HB3 SER 12 -10.057 -7.095 0.309 132 HG SER 12 HG SER 12 -9.311 -6.167 2.023 133 H GLY 13 H GLY 13 -7.292 -8.797 2.556 134 HA2 GLY 13 HA2 GLY 13 -5.141 -9.530 2.991 135 HA3 GLY 13 HA3 GLY 13 -5.096 -10.254 1.388 136 H GLU 14 H GLU 14 -6.125 -7.184 0.986 137 HA GLU 14 HA GLU 14 -3.458 -6.338 0.119 138 HB2 GLU 14 HB2 GLU 14 -4.588 -4.922 -1.457 139 HB3 GLU 14 HB3 GLU 14 -5.302 -6.523 -1.555 140 HG2 GLU 14 HG2 GLU 14 -7.056 -5.609 0.081 141 HG3 GLU 14 HG3 GLU 14 -6.437 -4.026 -0.379 142 H SER 15 H SER 15 -2.704 -4.253 0.562 143 HA SER 15 HA SER 15 -4.162 -2.782 2.650 144 HB2 SER 15 HB2 SER 15 -1.796 -1.969 3.271 145 HB3 SER 15 HB3 SER 15 -2.220 -3.630 3.687 146 HG SER 15 HG SER 15 -0.203 -3.613 2.700 147 H LEU 16 H LEU 16 -1.531 -2.216 0.311 148 HA LEU 16 HA LEU 16 -2.026 0.523 -0.051 149 HB2 LEU 16 HB2 LEU 16 -0.641 -1.530 -1.751 150 HB3 LEU 16 HB3 LEU 16 -0.729 0.151 -2.217 151 HG LEU 16 HG LEU 16 1.403 -0.317 -1.261 152 HD11 LEU 16 HD11 LEU 16 0.555 1.891 -0.816 153 HD12 LEU 16 HD12 LEU 16 1.478 1.321 0.573 154 HD13 LEU 16 HD13 LEU 16 -0.286 1.311 0.624 155 HD21 LEU 16 HD21 LEU 16 0.895 -2.244 0.086 156 HD22 LEU 16 HD22 LEU 16 -0.059 -1.254 1.190 157 HD23 LEU 16 HD23 LEU 16 1.683 -1.014 1.073 158 H TYR 17 H TYR 17 -2.938 -2.273 -1.979 159 HA TYR 17 HA TYR 17 -4.333 -1.061 -4.028 160 HB2 TYR 17 HB2 TYR 17 -5.159 -3.611 -2.631 161 HB3 TYR 17 HB3 TYR 17 -5.573 -3.137 -4.271 162 HD1 TYR 17 HD1 TYR 17 -2.898 -4.383 -2.087 163 HD2 TYR 17 HD2 TYR 17 -3.985 -3.364 -6.068 164 HE1 TYR 17 HE1 TYR 17 -0.902 -5.543 -2.925 165 HE2 TYR 17 HE2 TYR 17 -1.989 -4.515 -6.921 166 HH TYR 17 HH TYR 17 0.146 -5.259 -6.198 167 H HIS 18 H HIS 18 -5.378 -1.769 -0.752 168 HA HIS 18 HA HIS 18 -8.117 -1.241 -1.059 169 HB2 HIS 18 HB2 HIS 18 -7.187 -2.458 0.864 170 HB3 HIS 18 HB3 HIS 18 -6.386 -0.991 1.410 171 HD1 HIS 18 HD1 HIS 18 -7.632 0.314 3.105 172 HD2 HIS 18 HD2 HIS 18 -10.146 -2.124 0.862 173 HE1 HIS 18 HE1 HIS 18 -9.918 0.571 4.128 174 HE2 HIS 18 HE2 HIS 18 -11.405 -0.980 2.813 175 H VAL 19 H VAL 19 -5.392 0.870 -0.248 176 HA VAL 19 HA VAL 19 -6.983 3.122 0.426 177 HB VAL 19 HB VAL 19 -5.044 4.024 1.050 178 HG11 VAL 19 HG11 VAL 19 -2.918 2.694 0.783 179 HG12 VAL 19 HG12 VAL 19 -3.876 1.513 -0.103 180 HG13 VAL 19 HG13 VAL 19 -4.259 1.873 1.579 181 HG21 VAL 19 HG21 VAL 19 -3.169 4.425 -0.634 182 HG22 VAL 19 HG22 VAL 19 -4.725 5.201 -0.942 183 HG23 VAL 19 HG23 VAL 19 -4.271 3.736 -1.839 184 H LEU 20 H LEU 20 -5.608 1.891 -2.541 185 HA LEU 20 HA LEU 20 -6.179 4.314 -4.004 186 HB2 LEU 20 HB2 LEU 20 -4.853 1.721 -4.607 187 HB3 LEU 20 HB3 LEU 20 -5.395 2.718 -5.943 188 HG LEU 20 HG LEU 20 -3.337 3.392 -3.849 189 HD11 LEU 20 HD11 LEU 20 -2.524 2.023 -5.678 190 HD12 LEU 20 HD12 LEU 20 -1.872 3.660 -5.800 191 HD13 LEU 20 HD13 LEU 20 -3.197 3.155 -6.850 192 HD21 LEU 20 HD21 LEU 20 -4.621 5.170 -5.911 193 HD22 LEU 20 HD22 LEU 20 -3.112 5.547 -5.077 194 HD23 LEU 20 HD23 LEU 20 -4.606 5.385 -4.157 195 H GLY 21 H GLY 21 -7.790 1.439 -3.247 196 HA2 GLY 21 HA2 GLY 21 -10.043 1.011 -3.613 197 HA3 GLY 21 HA3 GLY 21 -10.081 2.325 -4.777 198 H LEU 22 H LEU 22 -7.519 0.243 -5.401 199 HA LEU 22 HA LEU 22 -9.107 -1.166 -7.436 200 HB2 LEU 22 HB2 LEU 22 -6.803 -1.584 -8.481 201 HB3 LEU 22 HB3 LEU 22 -7.486 0.018 -8.617 202 HG LEU 22 HG LEU 22 -6.049 0.606 -6.564 203 HD11 LEU 22 HD11 LEU 22 -5.449 -1.653 -5.906 204 HD12 LEU 22 HD12 LEU 22 -4.011 -0.717 -6.325 205 HD13 LEU 22 HD13 LEU 22 -4.652 -1.906 -7.459 206 HD21 LEU 22 HD21 LEU 22 -4.719 -0.054 -9.181 207 HD22 LEU 22 HD22 LEU 22 -4.130 1.073 -7.959 208 HD23 LEU 22 HD23 LEU 22 -5.628 1.415 -8.821 209 H ASP 23 H ASP 23 -8.364 -3.388 -7.950 210 HA ASP 23 HA ASP 23 -7.927 -4.840 -5.462 211 HB2 ASP 23 HB2 ASP 23 -9.678 -5.459 -7.228 212 HB3 ASP 23 HB3 ASP 23 -8.336 -6.063 -8.169 213 H LYS 24 H LYS 24 -6.710 -7.022 -6.163 214 HA LYS 24 HA LYS 24 -3.956 -6.084 -6.253 215 HB2 LYS 24 HB2 LYS 24 -4.937 -8.902 -5.812 216 HB3 LYS 24 HB3 LYS 24 -3.431 -8.179 -5.265 217 HG2 LYS 24 HG2 LYS 24 -4.392 -7.151 -3.488 218 HG3 LYS 24 HG3 LYS 24 -5.937 -6.958 -4.320 219 HD2 LYS 24 HD2 LYS 24 -4.963 -9.676 -3.518 220 HD3 LYS 24 HD3 LYS 24 -5.791 -8.635 -2.357 221 HE2 LYS 24 HE2 LYS 24 -6.990 -9.098 -5.053 222 HE3 LYS 24 HE3 LYS 24 -7.158 -10.332 -3.802 223 HZ1 LYS 24 HZ1 LYS 24 -7.832 -7.545 -3.154 224 HZ2 LYS 24 HZ2 LYS 24 -8.490 -8.988 -2.547 225 HZ3 LYS 24 HZ3 LYS 24 -8.919 -8.447 -4.092 226 H ASN 25 H ASN 25 -5.912 -6.523 -8.575 227 HA ASN 25 HA ASN 25 -4.137 -8.175 -10.239 228 HB2 ASN 25 HB2 ASN 25 -7.146 -7.912 -10.299 229 HB3 ASN 25 HB3 ASN 25 -6.219 -8.644 -11.605 230 HD21 ASN 25 HD21 ASN 25 -7.165 -8.924 -8.243 231 HD22 ASN 25 HD22 ASN 25 -6.809 -10.611 -8.101 232 H ALA 26 H ALA 26 -4.772 -5.170 -9.532 233 HA ALA 26 HA ALA 26 -5.240 -3.941 -12.058 234 HB1 ALA 26 HB1 ALA 26 -4.358 -1.887 -10.962 235 HB2 ALA 26 HB2 ALA 26 -3.971 -2.870 -9.536 236 HB3 ALA 26 HB3 ALA 26 -5.653 -2.676 -10.041 237 H THR 27 H THR 27 -3.613 -2.589 -13.144 238 HA THR 27 HA THR 27 -0.960 -3.868 -13.061 239 HB THR 27 HB THR 27 -2.235 -4.334 -15.157 240 HG1 THR 27 HG1 THR 27 -0.442 -4.098 -16.358 241 HG21 THR 27 HG21 THR 27 -1.996 -1.350 -15.570 242 HG22 THR 27 HG22 THR 27 -3.492 -2.251 -15.320 243 HG23 THR 27 HG23 THR 27 -2.539 -2.513 -16.780 244 H SER 28 H SER 28 0.663 -2.246 -14.247 245 HA SER 28 HA SER 28 1.192 -0.190 -12.510 246 HB2 SER 28 HB2 SER 28 1.899 -0.303 -15.450 247 HB3 SER 28 HB3 SER 28 2.687 0.715 -14.245 248 HG SER 28 HG SER 28 3.627 -1.007 -13.351 249 H ASP 29 H ASP 29 -0.662 -0.077 -15.485 250 HA ASP 29 HA ASP 29 -1.074 2.679 -15.631 251 HB2 ASP 29 HB2 ASP 29 -2.842 0.423 -16.576 252 HB3 ASP 29 HB3 ASP 29 -3.120 2.116 -16.965 253 H ASP 30 H ASP 30 -3.089 0.180 -14.028 254 HA ASP 30 HA ASP 30 -5.159 2.031 -13.398 255 HB2 ASP 30 HB2 ASP 30 -4.512 -0.764 -12.469 256 HB3 ASP 30 HB3 ASP 30 -5.911 0.126 -11.867 257 H ILE 31 H ILE 31 -2.358 0.765 -11.765 258 HA ILE 31 HA ILE 31 -2.897 1.736 -9.183 259 HB ILE 31 HB ILE 31 -0.330 1.010 -10.583 260 HG12 ILE 31 HG12 ILE 31 -1.597 -0.519 -8.350 261 HG13 ILE 31 HG13 ILE 31 -2.329 -0.611 -9.947 262 HG21 ILE 31 HG21 ILE 31 0.744 0.972 -8.399 263 HG22 ILE 31 HG22 ILE 31 -0.739 1.562 -7.646 264 HG23 ILE 31 HG23 ILE 31 0.150 2.592 -8.771 265 HD11 ILE 31 HD11 ILE 31 -0.278 -1.469 -10.873 266 HD12 ILE 31 HD12 ILE 31 -0.783 -2.456 -9.496 267 HD13 ILE 31 HD13 ILE 31 0.532 -1.291 -9.315 268 H LYS 32 H LYS 32 -1.274 3.201 -11.969 269 HA LYS 32 HA LYS 32 -0.437 5.539 -10.566 270 HB2 LYS 32 HB2 LYS 32 -0.917 5.257 -13.532 271 HB3 LYS 32 HB3 LYS 32 0.035 6.495 -12.732 272 HG2 LYS 32 HG2 LYS 32 0.704 3.565 -12.705 273 HG3 LYS 32 HG3 LYS 32 1.373 4.733 -13.842 274 HD2 LYS 32 HD2 LYS 32 2.254 6.020 -11.903 275 HD3 LYS 32 HD3 LYS 32 1.703 4.715 -10.848 276 HE2 LYS 32 HE2 LYS 32 3.123 3.139 -12.031 277 HE3 LYS 32 HE3 LYS 32 3.639 4.412 -13.132 278 HZ1 LYS 32 HZ1 LYS 32 4.150 4.359 -10.205 279 HZ2 LYS 32 HZ2 LYS 32 4.654 5.568 -11.272 280 HZ3 LYS 32 HZ3 LYS 32 5.282 4.008 -11.409 281 H LYS 33 H LYS 33 -3.213 4.791 -12.659 282 HA LYS 33 HA LYS 33 -4.402 7.313 -12.689 283 HB2 LYS 33 HB2 LYS 33 -5.855 4.664 -12.656 284 HB3 LYS 33 HB3 LYS 33 -6.468 6.190 -13.275 285 HG2 LYS 33 HG2 LYS 33 -4.698 6.153 -14.995 286 HG3 LYS 33 HG3 LYS 33 -4.201 4.569 -14.403 287 HD2 LYS 33 HD2 LYS 33 -6.523 3.762 -14.838 288 HD3 LYS 33 HD3 LYS 33 -6.857 5.312 -15.612 289 HE2 LYS 33 HE2 LYS 33 -5.026 4.884 -17.195 290 HE3 LYS 33 HE3 LYS 33 -4.764 3.311 -16.443 291 HZ1 LYS 33 HZ1 LYS 33 -7.220 4.203 -17.848 292 HZ2 LYS 33 HZ2 LYS 33 -7.044 2.723 -17.061 293 HZ3 LYS 33 HZ3 LYS 33 -6.095 3.073 -18.412 294 H SER 34 H SER 34 -5.059 4.573 -10.512 295 HA SER 34 HA SER 34 -6.948 5.808 -8.897 296 HB2 SER 34 HB2 SER 34 -4.898 3.715 -8.153 297 HB3 SER 34 HB3 SER 34 -6.296 4.151 -7.168 298 HG SER 34 HG SER 34 -6.338 3.078 -9.800 299 H TYR 35 H TYR 35 -3.414 5.890 -8.705 300 HA TYR 35 HA TYR 35 -3.192 7.322 -6.327 301 HB2 TYR 35 HB2 TYR 35 -1.152 6.545 -7.235 302 HB3 TYR 35 HB3 TYR 35 -1.461 7.296 -8.804 303 HD1 TYR 35 HD1 TYR 35 -0.872 8.157 -5.218 304 HD2 TYR 35 HD2 TYR 35 -0.523 9.400 -9.276 305 HE1 TYR 35 HE1 TYR 35 0.445 10.105 -4.509 306 HE2 TYR 35 HE2 TYR 35 0.790 11.340 -8.578 307 HH TYR 35 HH TYR 35 2.076 11.655 -5.430 308 H ARG 36 H ARG 36 -3.272 8.596 -9.652 309 HA ARG 36 HA ARG 36 -3.283 11.297 -9.017 310 HB2 ARG 36 HB2 ARG 36 -4.633 9.902 -11.337 311 HB3 ARG 36 HB3 ARG 36 -4.326 11.631 -11.244 312 HG2 ARG 36 HG2 ARG 36 -2.181 9.523 -11.166 313 HG3 ARG 36 HG3 ARG 36 -2.686 10.385 -12.620 314 HD2 ARG 36 HD2 ARG 36 -2.007 12.488 -11.672 315 HD3 ARG 36 HD3 ARG 36 -1.667 11.726 -10.120 316 HE ARG 36 HE ARG 36 -0.136 10.592 -12.254 317 HH11 ARG 36 HH11 ARG 36 -0.323 13.294 -10.052 318 HH12 ARG 36 HH12 ARG 36 1.388 13.576 -10.038 319 HH21 ARG 36 HH21 ARG 36 2.130 10.956 -12.245 320 HH22 ARG 36 HH22 ARG 36 2.786 12.236 -11.276 321 H LYS 37 H LYS 37 -6.060 9.249 -9.739 322 HA LYS 37 HA LYS 37 -8.130 11.011 -9.471 323 HB2 LYS 37 HB2 LYS 37 -7.978 8.099 -8.711 324 HB3 LYS 37 HB3 LYS 37 -9.484 9.000 -8.809 325 HG2 LYS 37 HG2 LYS 37 -9.382 9.181 -11.105 326 HG3 LYS 37 HG3 LYS 37 -7.636 8.941 -11.147 327 HD2 LYS 37 HD2 LYS 37 -9.134 7.024 -11.964 328 HD3 LYS 37 HD3 LYS 37 -7.825 6.631 -10.846 329 HE2 LYS 37 HE2 LYS 37 -9.356 6.554 -8.997 330 HE3 LYS 37 HE3 LYS 37 -10.681 7.124 -10.015 331 HZ1 LYS 37 HZ1 LYS 37 -10.744 4.716 -9.650 332 HZ2 LYS 37 HZ2 LYS 37 -9.237 4.556 -10.398 333 HZ3 LYS 37 HZ3 LYS 37 -10.568 5.100 -11.287 334 H LEU 38 H LEU 38 -6.497 9.266 -6.864 335 HA LEU 38 HA LEU 38 -8.259 10.469 -4.883 336 HB2 LEU 38 HB2 LEU 38 -5.997 8.502 -4.724 337 HB3 LEU 38 HB3 LEU 38 -6.811 9.137 -3.305 338 HG LEU 38 HG LEU 38 -8.299 7.721 -5.505 339 HD11 LEU 38 HD11 LEU 38 -8.167 5.700 -4.152 340 HD12 LEU 38 HD12 LEU 38 -7.109 6.528 -3.008 341 HD13 LEU 38 HD13 LEU 38 -6.565 6.237 -4.661 342 HD21 LEU 38 HD21 LEU 38 -8.935 8.286 -2.607 343 HD22 LEU 38 HD22 LEU 38 -9.945 7.355 -3.712 344 HD23 LEU 38 HD23 LEU 38 -9.662 9.069 -4.011 345 H ALA 39 H ALA 39 -5.002 10.781 -6.054 346 HA ALA 39 HA ALA 39 -3.734 12.045 -3.957 347 HB1 ALA 39 HB1 ALA 39 -2.122 12.850 -5.543 348 HB2 ALA 39 HB2 ALA 39 -3.262 12.618 -6.871 349 HB3 ALA 39 HB3 ALA 39 -2.631 11.221 -6.000 350 H LEU 40 H LEU 40 -5.635 13.621 -6.553 351 HA LEU 40 HA LEU 40 -5.143 16.180 -5.332 352 HB2 LEU 40 HB2 LEU 40 -7.149 16.868 -6.932 353 HB3 LEU 40 HB3 LEU 40 -5.496 16.751 -7.469 354 HG LEU 40 HG LEU 40 -7.270 15.851 -9.008 355 HD11 LEU 40 HD11 LEU 40 -5.933 13.851 -9.642 356 HD12 LEU 40 HD12 LEU 40 -4.985 14.097 -8.175 357 HD13 LEU 40 HD13 LEU 40 -5.000 15.335 -9.432 358 HD21 LEU 40 HD21 LEU 40 -8.616 14.691 -7.306 359 HD22 LEU 40 HD22 LEU 40 -7.316 13.512 -7.129 360 HD23 LEU 40 HD23 LEU 40 -8.164 13.664 -8.665 361 H LYS 41 H LYS 41 -7.856 13.960 -5.501 362 HA LYS 41 HA LYS 41 -9.780 15.228 -4.039 363 HB2 LYS 41 HB2 LYS 41 -10.115 13.025 -4.990 364 HB3 LYS 41 HB3 LYS 41 -8.905 12.336 -3.918 365 HG2 LYS 41 HG2 LYS 41 -10.357 12.893 -1.994 366 HG3 LYS 41 HG3 LYS 41 -11.588 13.447 -3.130 367 HD2 LYS 41 HD2 LYS 41 -11.657 11.209 -4.132 368 HD3 LYS 41 HD3 LYS 41 -10.434 10.664 -2.987 369 HE2 LYS 41 HE2 LYS 41 -11.917 11.045 -1.138 370 HE3 LYS 41 HE3 LYS 41 -13.123 11.770 -2.199 371 HZ1 LYS 41 HZ1 LYS 41 -13.730 9.523 -1.682 372 HZ2 LYS 41 HZ2 LYS 41 -12.238 8.936 -2.210 373 HZ3 LYS 41 HZ3 LYS 41 -13.321 9.610 -3.319 374 H TYR 42 H TYR 42 -6.957 13.489 -2.791 375 HA TYR 42 HA TYR 42 -7.513 14.633 -0.139 376 HB2 TYR 42 HB2 TYR 42 -6.117 12.130 -1.019 377 HB3 TYR 42 HB3 TYR 42 -5.771 12.837 0.561 378 HD1 TYR 42 HD2 TYR 42 -7.752 13.262 2.102 379 HD2 TYR 42 HD1 TYR 42 -7.980 10.695 -1.278 380 HE1 TYR 42 HE2 TYR 42 -9.702 12.155 3.085 381 HE2 TYR 42 HE1 TYR 42 -9.937 9.593 -0.316 382 HH TYR 42 HH TYR 42 -11.670 10.852 2.301 383 H HIS 43 H HIS 43 -6.267 16.086 -2.315 384 HA HIS 43 HA HIS 43 -3.476 16.262 -1.895 385 HB2 HIS 43 HB2 HIS 43 -5.150 17.224 -3.786 386 HB3 HIS 43 HB3 HIS 43 -4.928 18.678 -2.814 387 HD1 HIS 43 HD1 HIS 43 -3.141 20.072 -3.798 388 HD2 HIS 43 HD2 HIS 43 -2.315 16.021 -4.207 389 HE1 HIS 43 HE1 HIS 43 -0.898 19.952 -4.920 390 HE2 HIS 43 HE2 HIS 43 -0.508 17.495 -5.323 391 HA PRO 44 HA PRO 44 -2.876 17.906 2.039 392 HB2 PRO 44 HB2 PRO 44 -1.410 20.235 1.297 393 HB3 PRO 44 HB3 PRO 44 -0.783 18.688 1.855 394 HG2 PRO 44 HG2 PRO 44 -1.101 19.720 -0.897 395 HG3 PRO 44 HG3 PRO 44 0.074 18.556 -0.257 396 HD2 PRO 44 HD2 PRO 44 -1.954 17.771 -1.794 397 HD3 PRO 44 HD3 PRO 44 -1.423 16.778 -0.422 398 H ASP 45 H ASP 45 -3.824 20.467 -0.265 399 HA ASP 45 HA ASP 45 -4.614 22.271 1.779 400 HB2 ASP 45 HB2 ASP 45 -4.025 23.181 -0.351 401 HB3 ASP 45 HB3 ASP 45 -5.205 22.171 -1.176 402 H LYS 46 H LYS 46 -6.128 19.569 0.379 403 HA LYS 46 HA LYS 46 -8.830 20.382 1.009 404 HB2 LYS 46 HB2 LYS 46 -7.750 17.668 0.240 405 HB3 LYS 46 HB3 LYS 46 -9.420 18.179 0.186 406 HG2 LYS 46 HG2 LYS 46 -8.346 20.039 -1.405 407 HG3 LYS 46 HG3 LYS 46 -7.207 18.728 -1.668 408 HD2 LYS 46 HD2 LYS 46 -9.006 17.236 -2.308 409 HD3 LYS 46 HD3 LYS 46 -10.200 18.489 -1.966 410 HE2 LYS 46 HE2 LYS 46 -8.009 18.793 -4.008 411 HE3 LYS 46 HE3 LYS 46 -9.609 18.165 -4.398 412 HZ1 LYS 46 HZ1 LYS 46 -9.488 20.511 -4.873 413 HZ2 LYS 46 HZ2 LYS 46 -8.991 20.857 -3.297 414 HZ3 LYS 46 HZ3 LYS 46 -10.549 20.266 -3.580 415 H ASN 47 H ASN 47 -6.441 19.766 3.001 416 HA ASN 47 HA ASN 47 -7.823 17.740 4.628 417 HB2 ASN 47 HB2 ASN 47 -4.902 18.471 4.774 418 HB3 ASN 47 HB3 ASN 47 -5.691 17.133 5.569 419 HD21 ASN 47 HD21 ASN 47 -6.086 18.130 2.200 420 HD22 ASN 47 HD22 ASN 47 -5.464 16.660 1.543 421 HA PRO 48 HA PRO 48 -8.173 21.009 7.733 422 HB2 PRO 48 HB2 PRO 48 -9.273 18.793 9.309 423 HB3 PRO 48 HB3 PRO 48 -10.009 20.339 8.888 424 HG2 PRO 48 HG2 PRO 48 -10.849 18.037 7.791 425 HG3 PRO 48 HG3 PRO 48 -10.814 19.548 6.862 426 HD2 PRO 48 HD2 PRO 48 -8.865 17.264 6.834 427 HD3 PRO 48 HD3 PRO 48 -9.529 18.197 5.473 428 H ASP 49 H ASP 49 -8.097 20.170 10.372 429 HA ASP 49 HA ASP 49 -5.309 20.142 10.804 430 HB2 ASP 49 HB2 ASP 49 -7.078 21.192 12.224 431 HB3 ASP 49 HB3 ASP 49 -7.498 19.583 12.797 432 H ASN 50 H ASN 50 -7.733 17.657 10.725 433 HA ASN 50 HA ASN 50 -6.357 15.650 12.137 434 HB2 ASN 50 HB2 ASN 50 -7.917 14.084 11.067 435 HB3 ASN 50 HB3 ASN 50 -8.760 15.499 11.678 436 HD21 ASN 50 HD21 ASN 50 -9.384 13.521 9.541 437 HD22 ASN 50 HD22 ASN 50 -9.694 14.477 8.129 438 HA PRO 51 HA PRO 51 -3.323 14.647 9.021 439 HB2 PRO 51 HB2 PRO 51 -2.083 12.674 10.357 440 HB3 PRO 51 HB3 PRO 51 -1.910 14.367 10.833 441 HG2 PRO 51 HG2 PRO 51 -3.636 12.232 12.016 442 HG3 PRO 51 HG3 PRO 51 -2.673 13.475 12.835 443 HD2 PRO 51 HD2 PRO 51 -5.382 13.655 12.408 444 HD3 PRO 51 HD3 PRO 51 -4.313 15.054 12.616 445 H GLU 52 H GLU 52 -6.107 13.222 9.452 446 HA GLU 52 HA GLU 52 -5.758 10.479 8.824 447 HB2 GLU 52 HB2 GLU 52 -7.789 11.468 9.862 448 HB3 GLU 52 HB3 GLU 52 -8.118 12.307 8.347 449 HG2 GLU 52 HG2 GLU 52 -8.359 10.136 7.223 450 HG3 GLU 52 HG3 GLU 52 -8.084 9.323 8.763 451 H ALA 53 H ALA 53 -6.695 13.292 6.920 452 HA ALA 53 HA ALA 53 -6.778 11.919 4.443 453 HB1 ALA 53 HB1 ALA 53 -6.637 14.841 5.134 454 HB2 ALA 53 HB2 ALA 53 -8.079 13.886 4.792 455 HB3 ALA 53 HB3 ALA 53 -6.913 14.213 3.510 456 H ALA 54 H ALA 54 -4.320 13.625 6.240 457 HA ALA 54 HA ALA 54 -2.340 13.724 4.211 458 HB1 ALA 54 HB1 ALA 54 -0.762 14.056 6.060 459 HB2 ALA 54 HB2 ALA 54 -2.022 13.610 7.212 460 HB3 ALA 54 HB3 ALA 54 -2.191 15.076 6.244 461 H ASP 55 H ASP 55 -3.066 11.443 6.800 462 HA ASP 55 HA ASP 55 -1.213 9.441 6.275 463 HB2 ASP 55 HB2 ASP 55 -3.860 9.630 7.568 464 HB3 ASP 55 HB3 ASP 55 -3.426 8.022 7.016 465 H LYS 56 H LYS 56 -4.381 10.064 4.902 466 HA LYS 56 HA LYS 56 -4.531 7.875 3.168 467 HB2 LYS 56 HB2 LYS 56 -6.505 9.109 3.530 468 HB3 LYS 56 HB3 LYS 56 -5.728 10.620 3.114 469 HG2 LYS 56 HG2 LYS 56 -7.277 9.793 1.376 470 HG3 LYS 56 HG3 LYS 56 -5.629 10.024 0.811 471 HD2 LYS 56 HD2 LYS 56 -6.218 7.990 -0.134 472 HD3 LYS 56 HD3 LYS 56 -5.351 7.501 1.324 473 HE2 LYS 56 HE2 LYS 56 -7.486 7.282 2.482 474 HE3 LYS 56 HE3 LYS 56 -8.323 7.711 0.985 475 HZ1 LYS 56 HZ1 LYS 56 -6.624 5.317 1.465 476 HZ2 LYS 56 HZ2 LYS 56 -7.309 5.730 -0.035 477 HZ3 LYS 56 HZ3 LYS 56 -8.308 5.339 1.272 478 H PHE 57 H PHE 57 -3.627 11.233 2.390 479 HA PHE 57 HA PHE 57 -2.797 10.805 -0.201 480 HB2 PHE 57 HB2 PHE 57 -2.977 13.043 0.882 481 HB3 PHE 57 HB3 PHE 57 -1.462 12.712 1.722 482 HD1 PHE 57 HD1 PHE 57 -1.840 11.505 -1.677 483 HD2 PHE 57 HD2 PHE 57 -0.519 14.777 0.708 484 HE1 PHE 57 HE1 PHE 57 -0.581 12.402 -3.592 485 HE2 PHE 57 HE2 PHE 57 0.739 15.667 -1.192 486 HZ PHE 57 HZ PHE 57 0.692 14.513 -3.348 487 H LYS 58 H LYS 58 -1.090 10.209 2.758 488 HA LYS 58 HA LYS 58 1.437 9.621 1.702 489 HB2 LYS 58 HB2 LYS 58 0.696 9.969 4.114 490 HB3 LYS 58 HB3 LYS 58 0.204 8.284 4.094 491 HG2 LYS 58 HG2 LYS 58 2.468 7.598 3.630 492 HG3 LYS 58 HG3 LYS 58 2.989 9.281 3.550 493 HD2 LYS 58 HD2 LYS 58 2.005 7.731 5.936 494 HD3 LYS 58 HD3 LYS 58 3.575 8.502 5.713 495 HE2 LYS 58 HE2 LYS 58 0.945 9.973 5.875 496 HE3 LYS 58 HE3 LYS 58 2.049 9.744 7.235 497 HZ1 LYS 58 HZ1 LYS 58 2.397 11.893 6.257 498 HZ2 LYS 58 HZ2 LYS 58 2.630 11.219 4.725 499 HZ3 LYS 58 HZ3 LYS 58 3.757 10.935 5.952 500 H GLU 59 H GLU 59 -1.329 7.485 2.449 501 HA GLU 59 HA GLU 59 0.016 5.162 1.494 502 HB2 GLU 59 HB2 GLU 59 -2.279 4.120 1.625 503 HB3 GLU 59 HB3 GLU 59 -1.576 4.704 3.116 504 HG2 GLU 59 HG2 GLU 59 -2.959 6.663 3.033 505 HG3 GLU 59 HG3 GLU 59 -3.622 6.171 1.476 506 H ILE 60 H ILE 60 -2.232 7.443 -0.027 507 HA ILE 60 HA ILE 60 -2.653 6.034 -2.440 508 HB ILE 60 HB ILE 60 -2.160 9.004 -2.368 509 HG12 ILE 60 HG12 ILE 60 -4.823 7.707 -1.827 510 HG13 ILE 60 HG13 ILE 60 -3.776 8.334 -0.556 511 HG21 ILE 60 HG21 ILE 60 -3.680 9.099 -4.215 512 HG22 ILE 60 HG22 ILE 60 -4.052 7.385 -4.043 513 HG23 ILE 60 HG23 ILE 60 -2.445 7.889 -4.543 514 HD11 ILE 60 HD11 ILE 60 -3.888 10.557 -1.601 515 HD12 ILE 60 HD12 ILE 60 -5.471 9.958 -1.112 516 HD13 ILE 60 HD13 ILE 60 -4.997 9.915 -2.810 517 H ASN 61 H ASN 61 -0.262 8.460 -1.562 518 HA ASN 61 HA ASN 61 1.237 8.356 -3.938 519 HB2 ASN 61 HB2 ASN 61 1.152 10.237 -2.281 520 HB3 ASN 61 HB3 ASN 61 2.114 9.248 -1.179 521 HD21 ASN 61 HD21 ASN 61 3.658 10.914 -1.201 522 HD22 ASN 61 HD22 ASN 61 4.792 11.048 -2.504 523 H ASN 62 H ASN 62 1.375 6.589 -0.930 524 HA ASN 62 HA ASN 62 3.855 5.296 -1.347 525 HB2 ASN 62 HB2 ASN 62 2.191 5.452 0.751 526 HB3 ASN 62 HB3 ASN 62 1.705 3.878 0.129 527 HD21 ASN 62 HD21 ASN 62 3.085 2.169 0.285 528 HD22 ASN 62 HD22 ASN 62 4.556 2.224 1.183 529 H ALA 63 H ALA 63 0.523 4.127 -1.780 530 HA ALA 63 HA ALA 63 1.140 1.656 -2.914 531 HB1 ALA 63 HB1 ALA 63 -1.172 1.656 -3.723 532 HB2 ALA 63 HB2 ALA 63 -1.295 3.376 -3.356 533 HB3 ALA 63 HB3 ALA 63 -1.065 2.210 -2.053 534 H HIS 64 H HIS 64 0.842 4.813 -4.362 535 HA HIS 64 HA HIS 64 0.720 4.294 -7.055 536 HB2 HIS 64 HB2 HIS 64 0.621 6.530 -6.250 537 HB3 HIS 64 HB3 HIS 64 2.215 6.413 -5.518 538 HD1 HIS 64 HD1 HIS 64 4.093 7.321 -6.856 539 HD2 HIS 64 HD2 HIS 64 0.765 6.502 -9.205 540 HE1 HIS 64 HE1 HIS 64 4.643 8.212 -9.136 541 HE2 HIS 64 HE2 HIS 64 2.566 7.827 -10.511 542 H ALA 65 H ALA 65 3.517 4.055 -4.930 543 HA ALA 65 HA ALA 65 5.244 3.339 -7.167 544 HB1 ALA 65 HB1 ALA 65 5.846 3.601 -4.221 545 HB2 ALA 65 HB2 ALA 65 6.161 4.814 -5.462 546 HB3 ALA 65 HB3 ALA 65 7.031 3.281 -5.487 547 H ILE 66 H ILE 66 4.055 1.963 -4.145 548 HA ILE 66 HA ILE 66 5.381 -0.382 -3.957 549 HB ILE 66 HB ILE 66 2.427 -0.172 -3.416 550 HG12 ILE 66 HG12 ILE 66 3.330 1.697 -2.308 551 HG13 ILE 66 HG13 ILE 66 3.212 0.449 -1.074 552 HG21 ILE 66 HG21 ILE 66 3.355 -2.434 -3.264 553 HG22 ILE 66 HG22 ILE 66 2.832 -1.830 -1.691 554 HG23 ILE 66 HG23 ILE 66 4.546 -1.864 -2.097 555 HD11 ILE 66 HD11 ILE 66 5.573 0.006 -1.262 556 HD12 ILE 66 HD12 ILE 66 5.286 1.716 -0.936 557 HD13 ILE 66 HD13 ILE 66 5.710 1.187 -2.567 558 H LEU 67 H LEU 67 2.225 -0.122 -5.615 559 HA LEU 67 HA LEU 67 2.190 -2.924 -6.086 560 HB2 LEU 67 HB2 LEU 67 0.462 -0.723 -7.186 561 HB3 LEU 67 HB3 LEU 67 0.176 -2.421 -7.480 562 HG LEU 67 HG LEU 67 -1.113 -2.466 -5.682 563 HD11 LEU 67 HD11 LEU 67 -0.167 -2.351 -3.445 564 HD12 LEU 67 HD12 LEU 67 1.313 -1.652 -4.099 565 HD13 LEU 67 HD13 LEU 67 0.853 -3.301 -4.525 566 HD21 LEU 67 HD21 LEU 67 -1.516 -0.490 -4.320 567 HD22 LEU 67 HD22 LEU 67 -1.491 -0.099 -6.040 568 HD23 LEU 67 HD23 LEU 67 -0.101 0.289 -5.027 569 H THR 68 H THR 68 3.343 -0.232 -7.950 570 HA THR 68 HA THR 68 3.570 -1.952 -10.315 571 HB THR 68 HB THR 68 2.483 0.210 -10.685 572 HG1 THR 68 HG1 THR 68 5.054 -0.132 -11.866 573 HG21 THR 68 HG21 THR 68 3.725 2.289 -10.474 574 HG22 THR 68 HG22 THR 68 5.110 1.409 -9.832 575 HG23 THR 68 HG23 THR 68 3.602 1.471 -8.920 576 H ASP 69 H ASP 69 5.290 -1.525 -7.703 577 HA ASP 69 HA ASP 69 7.884 -1.258 -9.060 578 HB2 ASP 69 HB2 ASP 69 7.507 0.233 -7.102 579 HB3 ASP 69 HB3 ASP 69 7.274 -1.202 -6.095 580 H ALA 70 H ALA 70 9.438 -2.861 -8.853 581 HA ALA 70 HA ALA 70 8.481 -5.503 -8.698 582 HB1 ALA 70 HB1 ALA 70 10.826 -6.169 -8.895 583 HB2 ALA 70 HB2 ALA 70 11.321 -4.500 -8.610 584 HB3 ALA 70 HB3 ALA 70 10.406 -4.911 -10.061 585 H THR 71 H THR 71 10.330 -3.515 -6.403 586 HA THR 71 HA THR 71 10.734 -5.776 -4.648 587 HB THR 71 HB THR 71 11.485 -2.869 -4.328 588 HG1 THR 71 HG1 THR 71 13.028 -3.506 -5.629 589 HG21 THR 71 HG21 THR 71 12.862 -3.623 -2.454 590 HG22 THR 71 HG22 THR 71 12.248 -5.267 -2.660 591 HG23 THR 71 HG23 THR 71 11.155 -3.973 -2.166 592 H LYS 72 H LYS 72 8.931 -2.686 -4.480 593 HA LYS 72 HA LYS 72 8.011 -3.203 -1.846 594 HB2 LYS 72 HB2 LYS 72 7.304 -1.200 -3.936 595 HB3 LYS 72 HB3 LYS 72 6.241 -1.406 -2.557 596 HG2 LYS 72 HG2 LYS 72 7.616 0.301 -1.856 597 HG3 LYS 72 HG3 LYS 72 8.389 -1.115 -1.149 598 HD2 LYS 72 HD2 LYS 72 10.114 0.196 -2.078 599 HD3 LYS 72 HD3 LYS 72 9.879 -1.161 -3.183 600 HE2 LYS 72 HE2 LYS 72 10.076 0.744 -4.553 601 HE3 LYS 72 HE3 LYS 72 8.355 0.369 -4.510 602 HZ1 LYS 72 HZ1 LYS 72 8.113 2.097 -2.775 603 HZ2 LYS 72 HZ2 LYS 72 8.671 2.712 -4.251 604 HZ3 LYS 72 HZ3 LYS 72 9.749 2.492 -2.972 605 H ARG 73 H ARG 73 6.930 -4.224 -4.939 606 HA ARG 73 HA ARG 73 4.405 -5.235 -3.895 607 HB2 ARG 73 HB2 ARG 73 4.093 -4.677 -6.122 608 HB3 ARG 73 HB3 ARG 73 5.724 -5.140 -6.575 609 HG2 ARG 73 HG2 ARG 73 4.319 -6.680 -7.629 610 HG3 ARG 73 HG3 ARG 73 4.990 -7.538 -6.246 611 HD2 ARG 73 HD2 ARG 73 2.854 -6.882 -5.014 612 HD3 ARG 73 HD3 ARG 73 2.214 -6.431 -6.602 613 HE ARG 73 HE ARG 73 3.325 -9.032 -6.691 614 HH11 ARG 73 HH11 ARG 73 0.471 -7.330 -5.559 615 HH12 ARG 73 HH12 ARG 73 -0.512 -8.763 -5.564 616 HH21 ARG 73 HH21 ARG 73 2.033 -10.883 -6.682 617 HH22 ARG 73 HH22 ARG 73 0.372 -10.776 -6.182 618 H ASN 74 H ASN 74 7.640 -6.179 -4.457 619 HA ASN 74 HA ASN 74 7.397 -8.976 -4.433 620 HB2 ASN 74 HB2 ASN 74 9.455 -7.821 -5.134 621 HB3 ASN 74 HB3 ASN 74 9.689 -7.242 -3.489 622 HD21 ASN 74 HD21 ASN 74 10.224 -8.724 -1.867 623 HD22 ASN 74 HD22 ASN 74 10.995 -10.221 -2.253 624 H ILE 75 H ILE 75 8.513 -6.865 -1.743 625 HA ILE 75 HA ILE 75 8.400 -9.006 0.100 626 HB ILE 75 HB ILE 75 8.934 -7.539 1.840 627 HG12 ILE 75 HG12 ILE 75 7.145 -5.893 1.561 628 HG13 ILE 75 HG13 ILE 75 8.703 -5.102 1.763 629 HG21 ILE 75 HG21 ILE 75 10.128 -6.393 -0.670 630 HG22 ILE 75 HG22 ILE 75 10.715 -7.785 0.241 631 HG23 ILE 75 HG23 ILE 75 10.761 -6.178 0.962 632 HD11 ILE 75 HD11 ILE 75 8.804 -4.707 -0.642 633 HD12 ILE 75 HD12 ILE 75 7.361 -3.996 0.083 634 HD13 ILE 75 HD13 ILE 75 7.238 -5.504 -0.832 635 H TYR 76 H TYR 76 6.020 -6.716 -0.977 636 HA TYR 76 HA TYR 76 4.121 -6.865 1.030 637 HB2 TYR 76 HB2 TYR 76 3.519 -5.377 -0.634 638 HB3 TYR 76 HB3 TYR 76 4.010 -6.462 -1.930 639 HD1 TYR 76 HD2 TYR 76 1.286 -5.554 0.365 640 HD2 TYR 76 HD1 TYR 76 2.501 -8.148 -2.782 641 HE1 TYR 76 HE2 TYR 76 -1.053 -6.238 0.029 642 HE2 TYR 76 HE1 TYR 76 0.172 -8.837 -3.126 643 HH TYR 76 HH TYR 76 -2.456 -7.194 -1.762 644 H ASP 77 H ASP 77 4.711 -9.066 -1.666 645 HA ASP 77 HA ASP 77 2.537 -10.809 -0.877 646 HB2 ASP 77 HB2 ASP 77 3.026 -10.539 -3.248 647 HB3 ASP 77 HB3 ASP 77 4.668 -11.128 -3.005 648 H LYS 78 H LYS 78 5.954 -10.581 -0.396 649 HA LYS 78 HA LYS 78 6.298 -13.311 0.432 650 HB2 LYS 78 HB2 LYS 78 8.030 -10.911 0.260 651 HB3 LYS 78 HB3 LYS 78 8.487 -12.117 1.447 652 HG2 LYS 78 HG2 LYS 78 9.710 -12.773 -0.377 653 HG3 LYS 78 HG3 LYS 78 8.274 -13.776 -0.544 654 HD2 LYS 78 HD2 LYS 78 8.560 -11.132 -1.941 655 HD3 LYS 78 HD3 LYS 78 9.177 -12.626 -2.639 656 HE2 LYS 78 HE2 LYS 78 6.313 -12.118 -1.851 657 HE3 LYS 78 HE3 LYS 78 6.951 -11.997 -3.487 658 HZ1 LYS 78 HZ1 LYS 78 5.815 -14.122 -2.983 659 HZ2 LYS 78 HZ2 LYS 78 7.034 -14.475 -1.864 660 HZ3 LYS 78 HZ3 LYS 78 7.415 -14.317 -3.501 661 H TYR 79 H TYR 79 6.565 -10.228 2.227 662 HA TYR 79 HA TYR 79 5.480 -11.616 4.584 663 HB2 TYR 79 HB2 TYR 79 8.090 -11.172 4.491 664 HB3 TYR 79 HB3 TYR 79 7.604 -9.552 4.972 665 HD1 TYR 79 HD2 TYR 79 5.782 -9.589 6.961 666 HD2 TYR 79 HD1 TYR 79 8.685 -12.602 6.208 667 HE1 TYR 79 HE2 TYR 79 5.640 -10.302 9.308 668 HE2 TYR 79 HE1 TYR 79 8.548 -13.328 8.553 669 HH TYR 79 HH TYR 79 7.903 -12.351 10.745 670 H GLY 80 H GLY 80 6.583 -8.344 3.644 671 HA2 GLY 80 HA2 GLY 80 5.213 -6.540 3.068 672 HA3 GLY 80 HA3 GLY 80 3.821 -7.429 3.674 673 H SER 81 H SER 81 6.218 -7.546 5.988 674 HA SER 81 HA SER 81 4.697 -5.631 7.567 675 HB2 SER 81 HB2 SER 81 5.206 -7.954 8.400 676 HB3 SER 81 HB3 SER 81 6.899 -7.478 8.508 677 HG SER 81 HG SER 81 6.013 -7.140 10.503 678 H LEU 82 H LEU 82 8.182 -6.384 7.410 679 HA LEU 82 HA LEU 82 8.768 -3.679 8.285 680 HB2 LEU 82 HB2 LEU 82 9.931 -5.346 9.478 681 HB3 LEU 82 HB3 LEU 82 10.379 -6.198 8.015 682 HG LEU 82 HG LEU 82 11.941 -4.391 7.434 683 HD11 LEU 82 HD11 LEU 82 10.768 -2.548 8.546 684 HD12 LEU 82 HD12 LEU 82 12.467 -2.634 9.008 685 HD13 LEU 82 HD13 LEU 82 11.220 -3.218 10.113 686 HD21 LEU 82 HD21 LEU 82 12.324 -5.482 10.215 687 HD22 LEU 82 HD22 LEU 82 13.591 -4.854 9.162 688 HD23 LEU 82 HD23 LEU 82 12.716 -6.317 8.712 689 H GLY 83 H GLY 83 9.824 -5.841 5.660 690 HA2 GLY 83 HA2 GLY 83 11.642 -4.178 4.429 691 HA3 GLY 83 HA3 GLY 83 10.735 -5.426 3.600 692 H LEU 84 H LEU 84 8.170 -4.073 4.156 693 HA LEU 84 HA LEU 84 8.060 -2.524 1.782 694 HB2 LEU 84 HB2 LEU 84 6.177 -3.862 2.587 695 HB3 LEU 84 HB3 LEU 84 6.049 -2.851 4.013 696 HG LEU 84 HG LEU 84 5.493 -0.924 2.526 697 HD11 LEU 84 HD11 LEU 84 4.795 -1.398 0.230 698 HD12 LEU 84 HD12 LEU 84 5.354 -3.061 0.405 699 HD13 LEU 84 HD13 LEU 84 6.509 -1.731 0.470 700 HD21 LEU 84 HD21 LEU 84 3.204 -1.637 2.111 701 HD22 LEU 84 HD22 LEU 84 3.765 -2.213 3.680 702 HD23 LEU 84 HD23 LEU 84 3.679 -3.322 2.311 703 H TYR 85 H TYR 85 8.042 -1.694 5.223 704 HA TYR 85 HA TYR 85 7.608 1.103 4.682 705 HB2 TYR 85 HB2 TYR 85 6.797 1.028 6.760 706 HB3 TYR 85 HB3 TYR 85 7.333 -0.636 6.916 707 HD1 TYR 85 HD2 TYR 85 9.527 -1.128 7.964 708 HD2 TYR 85 HD1 TYR 85 7.941 2.817 7.843 709 HE1 TYR 85 HE2 TYR 85 11.102 -0.447 9.723 710 HE2 TYR 85 HE1 TYR 85 9.520 3.513 9.596 711 HH TYR 85 HH TYR 85 10.809 2.488 11.415 712 H VAL 86 H VAL 86 10.319 -0.938 5.646 713 HA VAL 86 HA VAL 86 12.063 1.215 6.258 714 HB VAL 86 HB VAL 86 12.492 -0.881 7.299 715 HG11 VAL 86 HG11 VAL 86 11.463 -2.301 5.592 716 HG12 VAL 86 HG12 VAL 86 13.030 -2.902 6.124 717 HG13 VAL 86 HG13 VAL 86 12.887 -2.078 4.570 718 HG21 VAL 86 HG21 VAL 86 14.594 -0.245 5.251 719 HG22 VAL 86 HG22 VAL 86 14.826 -1.406 6.559 720 HG23 VAL 86 HG23 VAL 86 14.518 0.294 6.931 721 H ALA 87 H ALA 87 11.309 -0.524 3.334 722 HA ALA 87 HA ALA 87 13.588 -0.043 1.811 723 HB1 ALA 87 HB1 ALA 87 12.381 -0.645 -0.015 724 HB2 ALA 87 HB2 ALA 87 10.923 0.180 0.542 725 HB3 ALA 87 HB3 ALA 87 11.404 -1.366 1.270 726 H GLU 88 H GLU 88 10.769 1.999 2.333 727 HA GLU 88 HA GLU 88 11.674 3.688 0.162 728 HB2 GLU 88 HB2 GLU 88 9.169 4.049 1.771 729 HB3 GLU 88 HB3 GLU 88 9.526 4.581 0.141 730 HG2 GLU 88 HG2 GLU 88 9.661 2.190 -0.541 731 HG3 GLU 88 HG3 GLU 88 9.024 1.784 1.054 732 H GLN 89 H GLN 89 11.464 3.744 3.625 733 HA GLN 89 HA GLN 89 12.107 6.582 3.709 734 HB2 GLN 89 HB2 GLN 89 11.791 4.624 5.988 735 HB3 GLN 89 HB3 GLN 89 11.927 6.372 6.131 736 HG2 GLN 89 HG2 GLN 89 9.829 6.569 4.802 737 HG3 GLN 89 HG3 GLN 89 9.674 4.816 4.892 738 HE21 GLN 89 HE21 GLN 89 10.843 4.827 7.625 739 HE22 GLN 89 HE22 GLN 89 9.563 5.355 8.655 740 H PHE 90 H PHE 90 13.705 3.532 3.813 741 HA PHE 90 HA PHE 90 16.163 4.868 4.725 742 HB2 PHE 90 HB2 PHE 90 15.349 1.970 5.005 743 HB3 PHE 90 HB3 PHE 90 16.964 2.582 5.373 744 HD1 PHE 90 HD1 PHE 90 13.395 2.828 6.321 745 HD2 PHE 90 HD2 PHE 90 17.427 3.589 7.447 746 HE1 PHE 90 HE1 PHE 90 12.653 3.378 8.601 747 HE2 PHE 90 HE2 PHE 90 16.692 4.138 9.727 748 HZ PHE 90 HZ PHE 90 14.314 4.032 10.310 749 H GLY 91 H GLY 91 14.704 2.901 2.200 750 HA2 GLY 91 HA2 GLY 91 15.720 3.192 -0.014 751 HA3 GLY 91 HA3 GLY 91 17.292 3.072 0.768 752 H GLU 92 H GLU 92 15.312 1.440 -1.148 753 HA GLU 92 HA GLU 92 14.817 -1.044 0.023 754 HB2 GLU 92 HB2 GLU 92 15.507 -0.720 -2.895 755 HB3 GLU 92 HB3 GLU 92 14.363 -1.832 -2.159 756 HG2 GLU 92 HG2 GLU 92 12.776 -0.154 -1.814 757 HG3 GLU 92 HG3 GLU 92 13.955 1.129 -2.065 758 H GLU 93 H GLU 93 17.565 0.127 -1.804 759 HA GLU 93 HA GLU 93 19.075 -2.278 -1.757 760 HB2 GLU 93 HB2 GLU 93 20.950 -0.792 -2.433 761 HB3 GLU 93 HB3 GLU 93 19.508 -0.573 -3.414 762 HG2 GLU 93 HG2 GLU 93 18.944 1.374 -1.888 763 HG3 GLU 93 HG3 GLU 93 20.587 1.228 -1.271 764 H ASN 94 H ASN 94 18.556 0.253 0.501 765 HA ASN 94 HA ASN 94 21.011 -0.144 1.970 766 HB2 ASN 94 HB2 ASN 94 18.634 1.659 2.277 767 HB3 ASN 94 HB3 ASN 94 19.822 1.505 3.559 768 HD21 ASN 94 HD21 ASN 94 19.129 3.825 1.974 769 HD22 ASN 94 HD22 ASN 94 20.586 4.322 1.172 770 H VAL 95 H VAL 95 17.627 -0.900 2.314 771 HA VAL 95 HA VAL 95 17.177 -1.476 4.881 772 HB VAL 95 HB VAL 95 15.556 -3.099 4.322 773 HG11 VAL 95 HG11 VAL 95 14.309 -2.048 2.536 774 HG12 VAL 95 HG12 VAL 95 15.764 -1.215 1.991 775 HG13 VAL 95 HG13 VAL 95 15.067 -0.833 3.561 776 HG21 VAL 95 HG21 VAL 95 16.929 -4.611 2.995 777 HG22 VAL 95 HG22 VAL 95 16.923 -3.457 1.659 778 HG23 VAL 95 HG23 VAL 95 15.419 -4.231 2.164 779 H ASN 96 H ASN 96 19.223 -3.427 2.827 780 HA ASN 96 HA ASN 96 19.313 -5.805 4.253 781 HB2 ASN 96 HB2 ASN 96 20.273 -5.456 2.010 782 HB3 ASN 96 HB3 ASN 96 21.550 -4.471 2.718 783 HD21 ASN 96 HD21 ASN 96 23.240 -5.449 3.756 784 HD22 ASN 96 HD22 ASN 96 23.496 -7.158 3.747 785 H THR 97 H THR 97 20.545 -2.724 5.074 786 HA THR 97 HA THR 97 22.590 -3.500 6.878 787 HB THR 97 HB THR 97 22.439 -1.227 5.953 788 HG1 THR 97 HG1 THR 97 23.427 -1.641 8.063 789 HG21 THR 97 HG21 THR 97 20.018 -0.942 5.915 790 HG22 THR 97 HG22 THR 97 20.779 0.371 6.819 791 HG23 THR 97 HG23 THR 97 19.977 -0.943 7.681 792 H TYR 98 H TYR 98 19.146 -2.848 7.235 793 HA TYR 98 HA TYR 98 19.249 -3.338 10.104 794 HB2 TYR 98 HB2 TYR 98 17.899 -1.468 9.151 795 HB3 TYR 98 HB3 TYR 98 16.888 -2.658 8.329 796 HD1 TYR 98 HD2 TYR 98 18.094 -1.781 11.758 797 HD2 TYR 98 HD1 TYR 98 14.940 -3.346 9.373 798 HE1 TYR 98 HE2 TYR 98 16.658 -1.906 13.750 799 HE2 TYR 98 HE1 TYR 98 13.496 -3.475 11.358 800 HH TYR 98 HH TYR 98 14.340 -1.997 14.348 801 H PHE 99 H PHE 99 18.654 -4.950 7.189 802 HA PHE 99 HA PHE 99 17.253 -7.175 8.417 803 HB2 PHE 99 HB2 PHE 99 18.104 -6.472 5.624 804 HB3 PHE 99 HB3 PHE 99 17.672 -8.131 6.008 805 HD1 PHE 99 HD1 PHE 99 15.394 -8.715 6.602 806 HD2 PHE 99 HD2 PHE 99 16.477 -4.733 5.594 807 HE1 PHE 99 HE1 PHE 99 13.024 -8.160 6.306 808 HE2 PHE 99 HE2 PHE 99 14.096 -4.156 5.296 809 HZ PHE 99 HZ PHE 99 12.357 -5.892 5.678 810 H VAL 100 H VAL 100 18.518 -9.262 6.979 811 HA VAL 100 HA VAL 100 20.408 -10.194 8.699 812 HB VAL 100 HB VAL 100 19.357 -11.684 7.177 813 HG11 VAL 100 HG11 VAL 100 19.799 -11.668 4.758 814 HG12 VAL 100 HG12 VAL 100 20.721 -10.178 4.953 815 HG13 VAL 100 HG13 VAL 100 18.995 -10.198 5.307 816 HG21 VAL 100 HG21 VAL 100 21.563 -12.387 7.891 817 HG22 VAL 100 HG22 VAL 100 22.297 -11.542 6.527 818 HG23 VAL 100 HG23 VAL 100 21.251 -12.935 6.244 Start of MODEL 4 1 H1 MET -4 H1 MET -4 4.489 -20.587 8.662 2 H2 MET -4 H2 MET -4 3.326 -21.723 9.117 3 H3 MET -4 H3 MET -4 2.939 -20.077 9.102 4 HA MET -4 HA MET -4 3.583 -21.760 6.757 5 HB2 MET -4 HB2 MET -4 1.005 -20.403 7.570 6 HB3 MET -4 HB3 MET -4 1.259 -21.309 6.086 7 HG2 MET -4 HG2 MET -4 1.677 -23.330 7.420 8 HG3 MET -4 HG3 MET -4 1.349 -22.409 8.884 9 HE1 MET -4 HE1 MET -4 -0.983 -21.272 9.403 10 HE2 MET -4 HE2 MET -4 -2.427 -21.474 8.413 11 HE3 MET -4 HE3 MET -4 -1.075 -20.516 7.813 12 H ARG -3 H ARG -3 3.729 -18.651 8.121 13 HA ARG -3 HA ARG -3 4.012 -17.498 5.426 14 HB2 ARG -3 HB2 ARG -3 2.861 -16.156 7.883 15 HB3 ARG -3 HB3 ARG -3 3.206 -15.340 6.364 16 HG2 ARG -3 HG2 ARG -3 1.252 -17.608 6.708 17 HG3 ARG -3 HG3 ARG -3 0.829 -15.898 6.624 18 HD2 ARG -3 HD2 ARG -3 1.668 -15.747 4.372 19 HD3 ARG -3 HD3 ARG -3 2.283 -17.397 4.449 20 HE ARG -3 HE ARG -3 -0.388 -17.647 4.949 21 HH11 ARG -3 HH11 ARG -3 1.490 -16.208 2.365 22 HH12 ARG -3 HH12 ARG -3 0.315 -16.570 1.142 23 HH21 ARG -3 HH21 ARG -3 -1.939 -18.121 3.344 24 HH22 ARG -3 HH22 ARG -3 -1.645 -17.648 1.702 25 H SER -2 H SER -2 5.336 -15.442 5.496 26 HA SER -2 HA SER -2 7.865 -16.022 6.647 27 HB2 SER -2 HB2 SER -2 7.545 -14.786 4.503 28 HB3 SER -2 HB3 SER -2 6.880 -13.432 5.413 29 HG SER -2 HG SER -2 8.894 -13.264 6.481 30 HA PRO -1 HA PRO -1 7.478 -14.444 10.741 31 HB2 PRO -1 HB2 PRO -1 9.994 -13.231 10.897 32 HB3 PRO -1 HB3 PRO -1 9.623 -14.908 11.304 33 HG2 PRO -1 HG2 PRO -1 10.769 -13.773 8.796 34 HG3 PRO -1 HG3 PRO -1 11.133 -15.308 9.606 35 HD2 PRO -1 HD2 PRO -1 9.619 -15.228 7.403 36 HD3 PRO -1 HD3 PRO -1 9.256 -16.357 8.725 37 H GLY 0 H GLY 0 6.607 -12.664 11.569 38 HA2 GLY 0 HA2 GLY 0 6.701 -10.219 11.842 39 HA3 GLY 0 HA3 GLY 0 7.006 -10.128 10.114 40 H MET 1 H MET 1 5.019 -12.312 9.624 41 HA MET 1 HA MET 1 2.616 -10.662 9.845 42 HB2 MET 1 HB2 MET 1 3.241 -13.143 8.246 43 HB3 MET 1 HB3 MET 1 1.608 -12.512 8.396 44 HG2 MET 1 HG2 MET 1 2.421 -10.363 7.447 45 HG3 MET 1 HG3 MET 1 3.980 -11.136 7.165 46 HE1 MET 1 HE1 MET 1 2.099 -9.688 4.952 47 HE2 MET 1 HE2 MET 1 2.314 -10.793 3.593 48 HE3 MET 1 HE3 MET 1 3.696 -10.345 4.592 49 H ALA 2 H ALA 2 1.592 -10.876 11.703 50 HA ALA 2 HA ALA 2 1.393 -13.527 12.942 51 HB1 ALA 2 HB1 ALA 2 0.790 -10.811 14.112 52 HB2 ALA 2 HB2 ALA 2 2.270 -11.735 14.366 53 HB3 ALA 2 HB3 ALA 2 0.733 -12.349 14.974 54 H ASP 3 H ASP 3 -0.409 -14.626 12.563 55 HA ASP 3 HA ASP 3 -2.787 -13.182 11.670 56 HB2 ASP 3 HB2 ASP 3 -3.602 -15.344 10.897 57 HB3 ASP 3 HB3 ASP 3 -1.983 -15.056 10.277 58 H GLN 4 H GLN 4 -4.883 -13.853 12.487 59 HA GLN 4 HA GLN 4 -5.056 -15.258 14.980 60 HB2 GLN 4 HB2 GLN 4 -5.887 -13.433 16.321 61 HB3 GLN 4 HB3 GLN 4 -4.307 -12.989 15.699 62 HG2 GLN 4 HG2 GLN 4 -5.347 -11.603 13.994 63 HG3 GLN 4 HG3 GLN 4 -6.949 -12.080 14.572 64 HE21 GLN 4 HE21 GLN 4 -4.078 -10.228 15.272 65 HE22 GLN 4 HE22 GLN 4 -4.766 -9.269 16.534 66 H ARG 5 H ARG 5 -7.545 -14.745 15.803 67 HA ARG 5 HA ARG 5 -9.111 -15.755 13.674 68 HB2 ARG 5 HB2 ARG 5 -10.731 -16.135 15.218 69 HB3 ARG 5 HB3 ARG 5 -9.382 -15.917 16.314 70 HG2 ARG 5 HG2 ARG 5 -11.059 -14.694 17.304 71 HG3 ARG 5 HG3 ARG 5 -10.184 -13.458 16.396 72 HD2 ARG 5 HD2 ARG 5 -12.611 -13.248 16.112 73 HD3 ARG 5 HD3 ARG 5 -11.776 -13.599 14.598 74 HE ARG 5 HE ARG 5 -12.587 -16.032 15.675 75 HH11 ARG 5 HH11 ARG 5 -14.123 -13.110 14.516 76 HH12 ARG 5 HH12 ARG 5 -15.492 -13.940 13.856 77 HH21 ARG 5 HH21 ARG 5 -14.390 -17.127 14.799 78 HH22 ARG 5 HH22 ARG 5 -15.646 -16.222 14.018 79 H GLN 6 H GLN 6 -8.759 -12.549 15.091 80 HA GLN 6 HA GLN 6 -10.686 -11.441 13.217 81 HB2 GLN 6 HB2 GLN 6 -8.901 -9.876 15.074 82 HB3 GLN 6 HB3 GLN 6 -10.385 -9.343 14.287 83 HG2 GLN 6 HG2 GLN 6 -11.644 -10.963 15.662 84 HG3 GLN 6 HG3 GLN 6 -10.147 -11.369 16.500 85 HE21 GLN 6 HE21 GLN 6 -10.885 -10.657 18.483 86 HE22 GLN 6 HE22 GLN 6 -11.096 -8.981 18.848 87 H ARG 7 H ARG 7 -8.518 -12.656 11.930 88 HA ARG 7 HA ARG 7 -6.554 -10.702 11.261 89 HB2 ARG 7 HB2 ARG 7 -5.908 -12.986 11.225 90 HB3 ARG 7 HB3 ARG 7 -7.272 -13.427 10.212 91 HG2 ARG 7 HG2 ARG 7 -5.274 -13.466 8.919 92 HG3 ARG 7 HG3 ARG 7 -6.297 -12.135 8.385 93 HD2 ARG 7 HD2 ARG 7 -4.943 -10.541 9.555 94 HD3 ARG 7 HD3 ARG 7 -4.001 -11.825 10.309 95 HE ARG 7 HE ARG 7 -3.647 -12.240 7.646 96 HH11 ARG 7 HH11 ARG 7 -3.250 -9.466 9.731 97 HH12 ARG 7 HH12 ARG 7 -1.920 -8.815 8.831 98 HH21 ARG 7 HH21 ARG 7 -1.890 -11.377 6.441 99 HH22 ARG 7 HH22 ARG 7 -1.146 -9.900 6.962 100 H SER 8 H SER 8 -9.433 -12.067 9.700 101 HA SER 8 HA SER 8 -8.951 -10.625 7.267 102 HB2 SER 8 HB2 SER 8 -9.983 -12.869 7.308 103 HB3 SER 8 HB3 SER 8 -11.402 -12.183 8.093 104 HG SER 8 HG SER 8 -11.346 -12.448 5.669 105 H LEU 9 H LEU 9 -10.931 -10.169 10.133 106 HA LEU 9 HA LEU 9 -12.613 -8.204 8.937 107 HB2 LEU 9 HB2 LEU 9 -13.528 -7.817 11.113 108 HB3 LEU 9 HB3 LEU 9 -13.312 -9.533 10.890 109 HG LEU 9 HG LEU 9 -11.117 -9.187 12.240 110 HD11 LEU 9 HD11 LEU 9 -12.745 -6.798 13.106 111 HD12 LEU 9 HD12 LEU 9 -11.178 -6.750 12.301 112 HD13 LEU 9 HD13 LEU 9 -11.314 -7.420 13.927 113 HD21 LEU 9 HD21 LEU 9 -12.419 -9.553 14.308 114 HD22 LEU 9 HD22 LEU 9 -12.978 -10.541 12.960 115 HD23 LEU 9 HD23 LEU 9 -13.884 -9.105 13.434 116 H SER 10 H SER 10 -9.543 -8.111 10.553 117 HA SER 10 HA SER 10 -9.534 -5.209 10.588 118 HB2 SER 10 HB2 SER 10 -7.369 -7.165 11.332 119 HB3 SER 10 HB3 SER 10 -7.312 -5.426 11.600 120 HG SER 10 HG SER 10 -9.403 -5.877 12.792 121 H THR 11 H THR 11 -7.653 -7.824 9.084 122 HA THR 11 HA THR 11 -6.897 -5.920 6.974 123 HB THR 11 HB THR 11 -4.843 -7.455 6.722 124 HG1 THR 11 HG1 THR 11 -6.009 -8.837 8.522 125 HG21 THR 11 HG21 THR 11 -4.708 -5.155 7.540 126 HG22 THR 11 HG22 THR 11 -3.598 -6.201 8.427 127 HG23 THR 11 HG23 THR 11 -5.119 -5.701 9.166 128 H SER 12 H SER 12 -7.989 -6.419 5.189 129 HA SER 12 HA SER 12 -8.859 -9.083 4.582 130 HB2 SER 12 HB2 SER 12 -8.803 -6.582 2.878 131 HB3 SER 12 HB3 SER 12 -9.652 -8.070 2.476 132 HG SER 12 HG SER 12 -10.858 -7.766 4.445 133 H GLY 13 H GLY 13 -5.882 -7.967 4.644 134 HA2 GLY 13 HA2 GLY 13 -3.943 -8.890 3.695 135 HA3 GLY 13 HA3 GLY 13 -4.933 -9.594 2.419 136 H GLU 14 H GLU 14 -6.188 -6.763 2.514 137 HA GLU 14 HA GLU 14 -4.479 -5.663 0.420 138 HB2 GLU 14 HB2 GLU 14 -7.375 -5.594 1.059 139 HB3 GLU 14 HB3 GLU 14 -6.693 -4.176 0.287 140 HG2 GLU 14 HG2 GLU 14 -5.987 -5.398 -1.572 141 HG3 GLU 14 HG3 GLU 14 -6.351 -6.939 -0.789 142 H SER 15 H SER 15 -3.183 -4.048 0.929 143 HA SER 15 HA SER 15 -4.093 -2.155 2.994 144 HB2 SER 15 HB2 SER 15 -1.586 -1.722 3.326 145 HB3 SER 15 HB3 SER 15 -2.224 -3.252 3.934 146 HG SER 15 HG SER 15 -0.492 -3.872 2.803 147 H LEU 16 H LEU 16 -1.674 -2.250 0.355 148 HA LEU 16 HA LEU 16 -1.936 0.544 -0.169 149 HB2 LEU 16 HB2 LEU 16 -0.603 -1.691 -1.676 150 HB3 LEU 16 HB3 LEU 16 -0.596 -0.041 -2.249 151 HG LEU 16 HG LEU 16 1.489 -0.504 -1.208 152 HD11 LEU 16 HD11 LEU 16 1.557 1.195 0.568 153 HD12 LEU 16 HD12 LEU 16 -0.206 1.212 0.594 154 HD13 LEU 16 HD13 LEU 16 0.663 1.738 -0.850 155 HD21 LEU 16 HD21 LEU 16 0.811 -2.387 0.176 156 HD22 LEU 16 HD22 LEU 16 -0.036 -1.286 1.263 157 HD23 LEU 16 HD23 LEU 16 1.718 -1.196 1.107 158 H TYR 17 H TYR 17 -2.818 -2.345 -2.013 159 HA TYR 17 HA TYR 17 -4.188 -1.216 -4.114 160 HB2 TYR 17 HB2 TYR 17 -4.966 -3.700 -2.568 161 HB3 TYR 17 HB3 TYR 17 -5.558 -3.280 -4.169 162 HD1 TYR 17 HD2 TYR 17 -3.930 -3.230 -6.090 163 HD2 TYR 17 HD1 TYR 17 -2.901 -4.807 -2.277 164 HE1 TYR 17 HE2 TYR 17 -2.015 -4.399 -7.094 165 HE2 TYR 17 HE1 TYR 17 -0.980 -5.975 -3.270 166 HH TYR 17 HH TYR 17 -0.249 -6.797 -5.439 167 H HIS 18 H HIS 18 -5.183 -1.569 -0.797 168 HA HIS 18 HA HIS 18 -7.964 -1.105 -1.321 169 HB2 HIS 18 HB2 HIS 18 -6.757 -2.467 0.590 170 HB3 HIS 18 HB3 HIS 18 -6.819 -0.919 1.423 171 HD1 HIS 18 HD1 HIS 18 -8.886 -0.547 2.743 172 HD2 HIS 18 HD2 HIS 18 -9.487 -3.259 -0.349 173 HE1 HIS 18 HE1 HIS 18 -11.241 -1.371 3.020 174 HE2 HIS 18 HE2 HIS 18 -11.546 -3.099 1.209 175 H VAL 19 H VAL 19 -5.230 0.920 -0.760 176 HA VAL 19 HA VAL 19 -6.811 3.155 0.193 177 HB VAL 19 HB VAL 19 -4.891 4.246 0.597 178 HG11 VAL 19 HG11 VAL 19 -2.787 2.836 0.571 179 HG12 VAL 19 HG12 VAL 19 -3.800 1.541 -0.064 180 HG13 VAL 19 HG13 VAL 19 -4.151 2.240 1.517 181 HG21 VAL 19 HG21 VAL 19 -4.017 3.463 -2.171 182 HG22 VAL 19 HG22 VAL 19 -2.957 4.326 -1.047 183 HG23 VAL 19 HG23 VAL 19 -4.479 5.060 -1.561 184 H LEU 20 H LEU 20 -5.630 1.856 -2.790 185 HA LEU 20 HA LEU 20 -6.341 4.232 -4.303 186 HB2 LEU 20 HB2 LEU 20 -4.934 1.669 -4.942 187 HB3 LEU 20 HB3 LEU 20 -5.490 2.723 -6.228 188 HG LEU 20 HG LEU 20 -3.473 3.391 -4.083 189 HD11 LEU 20 HD11 LEU 20 -2.568 1.978 -5.820 190 HD12 LEU 20 HD12 LEU 20 -1.938 3.619 -5.987 191 HD13 LEU 20 HD13 LEU 20 -3.215 3.048 -7.064 192 HD21 LEU 20 HD21 LEU 20 -3.205 5.511 -5.347 193 HD22 LEU 20 HD22 LEU 20 -4.750 5.360 -4.514 194 HD23 LEU 20 HD23 LEU 20 -4.660 5.102 -6.258 195 H GLY 21 H GLY 21 -7.883 1.564 -3.177 196 HA2 GLY 21 HA2 GLY 21 -10.054 0.902 -3.454 197 HA3 GLY 21 HA3 GLY 21 -10.241 2.178 -4.643 198 H LEU 22 H LEU 22 -7.646 0.187 -5.438 199 HA LEU 22 HA LEU 22 -9.338 -1.274 -7.339 200 HB2 LEU 22 HB2 LEU 22 -7.064 -1.703 -8.484 201 HB3 LEU 22 HB3 LEU 22 -7.816 -0.135 -8.651 202 HG LEU 22 HG LEU 22 -6.299 0.619 -6.732 203 HD11 LEU 22 HD11 LEU 22 -4.220 -0.636 -6.475 204 HD12 LEU 22 HD12 LEU 22 -4.866 -1.915 -7.505 205 HD13 LEU 22 HD13 LEU 22 -5.614 -1.578 -5.943 206 HD21 LEU 22 HD21 LEU 22 -5.085 -0.188 -9.371 207 HD22 LEU 22 HD22 LEU 22 -4.440 1.013 -8.252 208 HD23 LEU 22 HD23 LEU 22 -5.987 1.294 -9.046 209 H ASP 23 H ASP 23 -8.612 -3.481 -7.901 210 HA ASP 23 HA ASP 23 -8.180 -4.952 -5.448 211 HB2 ASP 23 HB2 ASP 23 -9.807 -5.575 -7.355 212 HB3 ASP 23 HB3 ASP 23 -8.390 -6.184 -8.175 213 H LYS 24 H LYS 24 -6.864 -7.102 -6.156 214 HA LYS 24 HA LYS 24 -4.137 -6.056 -6.111 215 HB2 LYS 24 HB2 LYS 24 -5.027 -8.909 -5.679 216 HB3 LYS 24 HB3 LYS 24 -3.564 -8.132 -5.098 217 HG2 LYS 24 HG2 LYS 24 -4.648 -7.013 -3.413 218 HG3 LYS 24 HG3 LYS 24 -6.202 -7.099 -4.241 219 HD2 LYS 24 HD2 LYS 24 -4.795 -9.513 -3.121 220 HD3 LYS 24 HD3 LYS 24 -5.977 -8.570 -2.209 221 HE2 LYS 24 HE2 LYS 24 -7.631 -8.984 -4.004 222 HE3 LYS 24 HE3 LYS 24 -6.450 -10.012 -4.815 223 HZ1 LYS 24 HZ1 LYS 24 -8.030 -11.291 -3.489 224 HZ2 LYS 24 HZ2 LYS 24 -7.531 -10.482 -2.092 225 HZ3 LYS 24 HZ3 LYS 24 -6.448 -11.483 -2.919 226 H ASN 25 H ASN 25 -5.963 -6.532 -8.494 227 HA ASN 25 HA ASN 25 -4.098 -8.153 -10.086 228 HB2 ASN 25 HB2 ASN 25 -7.106 -7.926 -10.266 229 HB3 ASN 25 HB3 ASN 25 -6.122 -8.634 -11.543 230 HD21 ASN 25 HD21 ASN 25 -7.250 -8.984 -8.247 231 HD22 ASN 25 HD22 ASN 25 -6.861 -10.664 -8.105 232 H ALA 26 H ALA 26 -4.754 -5.163 -9.391 233 HA ALA 26 HA ALA 26 -5.215 -3.970 -11.944 234 HB1 ALA 26 HB1 ALA 26 -5.798 -2.747 -9.927 235 HB2 ALA 26 HB2 ALA 26 -4.574 -1.854 -10.859 236 HB3 ALA 26 HB3 ALA 26 -4.107 -2.767 -9.410 237 H THR 27 H THR 27 -3.780 -2.995 -13.279 238 HA THR 27 HA THR 27 -1.046 -4.002 -13.121 239 HB THR 27 HB THR 27 -2.284 -4.331 -15.233 240 HG1 THR 27 HG1 THR 27 -0.363 -4.158 -16.065 241 HG21 THR 27 HG21 THR 27 -3.735 -2.397 -15.176 242 HG22 THR 27 HG22 THR 27 -2.783 -2.379 -16.660 243 HG23 THR 27 HG23 THR 27 -2.348 -1.319 -15.321 244 H SER 28 H SER 28 0.689 -2.403 -13.846 245 HA SER 28 HA SER 28 1.006 -0.349 -12.064 246 HB2 SER 28 HB2 SER 28 2.791 -1.250 -13.538 247 HB3 SER 28 HB3 SER 28 2.065 -0.400 -14.901 248 HG SER 28 HG SER 28 3.698 0.530 -12.927 249 H ASP 29 H ASP 29 -0.546 -0.293 -15.175 250 HA ASP 29 HA ASP 29 -0.817 2.450 -15.544 251 HB2 ASP 29 HB2 ASP 29 -1.171 0.813 -17.321 252 HB3 ASP 29 HB3 ASP 29 -2.617 0.226 -16.510 253 H ASP 30 H ASP 30 -3.055 0.170 -13.847 254 HA ASP 30 HA ASP 30 -5.016 2.283 -13.570 255 HB2 ASP 30 HB2 ASP 30 -5.551 -0.216 -13.793 256 HB3 ASP 30 HB3 ASP 30 -5.042 -0.356 -12.110 257 H ILE 31 H ILE 31 -2.475 0.821 -11.733 258 HA ILE 31 HA ILE 31 -3.079 1.852 -9.188 259 HB ILE 31 HB ILE 31 -0.440 1.090 -10.449 260 HG12 ILE 31 HG12 ILE 31 -1.896 -0.493 -8.369 261 HG13 ILE 31 HG13 ILE 31 -2.471 -0.547 -10.032 262 HG21 ILE 31 HG21 ILE 31 -0.050 2.588 -8.567 263 HG22 ILE 31 HG22 ILE 31 0.437 0.940 -8.165 264 HG23 ILE 31 HG23 ILE 31 -1.080 1.588 -7.541 265 HD11 ILE 31 HD11 ILE 31 -0.325 -1.350 -10.777 266 HD12 ILE 31 HD12 ILE 31 -0.968 -2.391 -9.505 267 HD13 ILE 31 HD13 ILE 31 0.315 -1.236 -9.137 268 H LYS 32 H LYS 32 -1.193 3.152 -11.890 269 HA LYS 32 HA LYS 32 -0.352 5.495 -10.517 270 HB2 LYS 32 HB2 LYS 32 -0.586 5.026 -13.492 271 HB3 LYS 32 HB3 LYS 32 0.301 6.329 -12.719 272 HG2 LYS 32 HG2 LYS 32 0.920 3.405 -12.421 273 HG3 LYS 32 HG3 LYS 32 1.749 4.518 -13.505 274 HD2 LYS 32 HD2 LYS 32 2.427 5.866 -11.550 275 HD3 LYS 32 HD3 LYS 32 1.662 4.673 -10.494 276 HE2 LYS 32 HE2 LYS 32 3.140 2.948 -11.356 277 HE3 LYS 32 HE3 LYS 32 3.891 4.117 -12.440 278 HZ1 LYS 32 HZ1 LYS 32 3.970 4.191 -9.467 279 HZ2 LYS 32 HZ2 LYS 32 4.649 5.361 -10.488 280 HZ3 LYS 32 HZ3 LYS 32 5.254 3.787 -10.494 281 H LYS 33 H LYS 33 -3.049 4.811 -12.738 282 HA LYS 33 HA LYS 33 -4.081 7.401 -12.908 283 HB2 LYS 33 HB2 LYS 33 -5.646 4.814 -12.862 284 HB3 LYS 33 HB3 LYS 33 -6.220 6.357 -13.474 285 HG2 LYS 33 HG2 LYS 33 -4.332 6.257 -15.136 286 HG3 LYS 33 HG3 LYS 33 -4.086 4.591 -14.616 287 HD2 LYS 33 HD2 LYS 33 -6.497 4.166 -15.142 288 HD3 LYS 33 HD3 LYS 33 -6.557 5.773 -15.869 289 HE2 LYS 33 HE2 LYS 33 -4.803 3.471 -16.708 290 HE3 LYS 33 HE3 LYS 33 -6.205 4.094 -17.576 291 HZ1 LYS 33 HZ1 LYS 33 -5.021 6.198 -17.850 292 HZ2 LYS 33 HZ2 LYS 33 -4.183 4.913 -18.554 293 HZ3 LYS 33 HZ3 LYS 33 -3.666 5.548 -17.077 294 H SER 34 H SER 34 -5.210 4.777 -10.787 295 HA SER 34 HA SER 34 -6.941 6.167 -9.189 296 HB2 SER 34 HB2 SER 34 -5.084 3.974 -8.258 297 HB3 SER 34 HB3 SER 34 -6.630 4.419 -7.536 298 HG SER 34 HG SER 34 -6.081 2.951 -9.826 299 H TYR 35 H TYR 35 -3.420 6.070 -8.931 300 HA TYR 35 HA TYR 35 -3.126 7.363 -6.492 301 HB2 TYR 35 HB2 TYR 35 -1.137 6.576 -7.498 302 HB3 TYR 35 HB3 TYR 35 -1.450 7.440 -9.002 303 HD1 TYR 35 HD1 TYR 35 -0.868 8.154 -5.358 304 HD2 TYR 35 HD2 TYR 35 -0.314 9.417 -9.385 305 HE1 TYR 35 HE1 TYR 35 0.457 10.048 -4.572 306 HE2 TYR 35 HE2 TYR 35 1.035 11.317 -8.604 307 HH TYR 35 HH TYR 35 1.276 12.670 -6.532 308 H ARG 36 H ARG 36 -3.479 8.757 -9.725 309 HA ARG 36 HA ARG 36 -3.323 11.452 -8.976 310 HB2 ARG 36 HB2 ARG 36 -4.873 10.248 -11.279 311 HB3 ARG 36 HB3 ARG 36 -4.365 11.925 -11.140 312 HG2 ARG 36 HG2 ARG 36 -2.489 9.577 -11.280 313 HG3 ARG 36 HG3 ARG 36 -2.949 10.582 -12.655 314 HD2 ARG 36 HD2 ARG 36 -2.001 12.539 -11.554 315 HD3 ARG 36 HD3 ARG 36 -1.590 11.561 -10.146 316 HE ARG 36 HE ARG 36 -0.443 10.531 -12.544 317 HH11 ARG 36 HH11 ARG 36 -0.058 12.985 -10.090 318 HH12 ARG 36 HH12 ARG 36 1.669 13.063 -10.254 319 HH21 ARG 36 HH21 ARG 36 1.835 10.632 -12.765 320 HH22 ARG 36 HH22 ARG 36 2.743 11.727 -11.774 321 H LYS 37 H LYS 37 -6.242 9.558 -9.762 322 HA LYS 37 HA LYS 37 -8.131 11.477 -9.268 323 HB2 LYS 37 HB2 LYS 37 -9.067 8.884 -8.399 324 HB3 LYS 37 HB3 LYS 37 -9.547 9.835 -9.799 325 HG2 LYS 37 HG2 LYS 37 -7.552 9.026 -10.969 326 HG3 LYS 37 HG3 LYS 37 -7.176 8.058 -9.555 327 HD2 LYS 37 HD2 LYS 37 -9.600 7.791 -11.286 328 HD3 LYS 37 HD3 LYS 37 -8.198 6.713 -11.233 329 HE2 LYS 37 HE2 LYS 37 -8.717 6.024 -9.018 330 HE3 LYS 37 HE3 LYS 37 -9.934 7.277 -8.853 331 HZ1 LYS 37 HZ1 LYS 37 -10.077 4.961 -10.700 332 HZ2 LYS 37 HZ2 LYS 37 -11.260 6.157 -10.534 333 HZ3 LYS 37 HZ3 LYS 37 -10.928 5.114 -9.246 334 H LEU 38 H LEU 38 -6.460 9.515 -6.900 335 HA LEU 38 HA LEU 38 -8.228 10.452 -4.785 336 HB2 LEU 38 HB2 LEU 38 -5.951 8.494 -4.854 337 HB3 LEU 38 HB3 LEU 38 -6.777 8.961 -3.377 338 HG LEU 38 HG LEU 38 -8.257 7.800 -5.723 339 HD11 LEU 38 HD11 LEU 38 -8.142 5.642 -4.557 340 HD12 LEU 38 HD12 LEU 38 -7.000 6.344 -3.410 341 HD13 LEU 38 HD13 LEU 38 -6.565 6.201 -5.113 342 HD21 LEU 38 HD21 LEU 38 -8.876 8.012 -2.779 343 HD22 LEU 38 HD22 LEU 38 -9.890 7.215 -3.980 344 HD23 LEU 38 HD23 LEU 38 -9.614 8.953 -4.075 345 H ALA 39 H ALA 39 -4.977 10.896 -5.961 346 HA ALA 39 HA ALA 39 -3.742 12.128 -3.814 347 HB1 ALA 39 HB1 ALA 39 -2.214 13.127 -5.412 348 HB2 ALA 39 HB2 ALA 39 -3.334 12.758 -6.727 349 HB3 ALA 39 HB3 ALA 39 -2.560 11.448 -5.833 350 H LEU 40 H LEU 40 -5.599 13.750 -6.420 351 HA LEU 40 HA LEU 40 -5.286 16.270 -5.083 352 HB2 LEU 40 HB2 LEU 40 -7.233 16.968 -6.701 353 HB3 LEU 40 HB3 LEU 40 -5.581 16.837 -7.239 354 HG LEU 40 HG LEU 40 -7.409 15.968 -8.763 355 HD11 LEU 40 HD11 LEU 40 -6.044 14.077 -9.537 356 HD12 LEU 40 HD12 LEU 40 -5.099 14.189 -8.053 357 HD13 LEU 40 HD13 LEU 40 -5.096 15.527 -9.201 358 HD21 LEU 40 HD21 LEU 40 -7.342 13.590 -6.943 359 HD22 LEU 40 HD22 LEU 40 -8.231 13.749 -8.456 360 HD23 LEU 40 HD23 LEU 40 -8.677 14.734 -7.062 361 H LYS 41 H LYS 41 -7.774 13.840 -5.260 362 HA LYS 41 HA LYS 41 -9.827 15.026 -3.849 363 HB2 LYS 41 HB2 LYS 41 -10.051 12.829 -4.834 364 HB3 LYS 41 HB3 LYS 41 -8.829 12.178 -3.754 365 HG2 LYS 41 HG2 LYS 41 -10.318 12.621 -1.844 366 HG3 LYS 41 HG3 LYS 41 -11.555 13.183 -2.971 367 HD2 LYS 41 HD2 LYS 41 -11.613 10.995 -4.029 368 HD3 LYS 41 HD3 LYS 41 -10.323 10.432 -2.970 369 HE2 LYS 41 HE2 LYS 41 -11.716 10.647 -1.045 370 HE3 LYS 41 HE3 LYS 41 -12.989 11.425 -1.985 371 HZ1 LYS 41 HZ1 LYS 41 -12.064 8.617 -2.287 372 HZ2 LYS 41 HZ2 LYS 41 -13.264 9.355 -3.222 373 HZ3 LYS 41 HZ3 LYS 41 -13.509 9.117 -1.568 374 H TYR 42 H TYR 42 -6.900 13.487 -2.585 375 HA TYR 42 HA TYR 42 -7.631 14.429 0.106 376 HB2 TYR 42 HB2 TYR 42 -5.775 12.237 -0.818 377 HB3 TYR 42 HB3 TYR 42 -5.791 12.834 0.841 378 HD1 TYR 42 HD2 TYR 42 -7.744 12.401 2.296 379 HD2 TYR 42 HD1 TYR 42 -7.544 10.854 -1.659 380 HE1 TYR 42 HE2 TYR 42 -9.590 10.871 2.804 381 HE2 TYR 42 HE1 TYR 42 -9.394 9.317 -1.155 382 HH TYR 42 HH TYR 42 -10.439 8.267 0.787 383 H HIS 43 H HIS 43 -6.425 15.997 -2.120 384 HA HIS 43 HA HIS 43 -3.698 16.485 -1.675 385 HB2 HIS 43 HB2 HIS 43 -5.391 17.273 -3.559 386 HB3 HIS 43 HB3 HIS 43 -5.531 18.689 -2.523 387 HD1 HIS 43 HD1 HIS 43 -3.994 20.498 -3.157 388 HD2 HIS 43 HD2 HIS 43 -2.453 16.760 -4.125 389 HE1 HIS 43 HE1 HIS 43 -1.793 20.945 -4.284 390 HE2 HIS 43 HE2 HIS 43 -0.947 18.679 -4.993 391 HA PRO 44 HA PRO 44 -3.158 18.161 2.280 392 HB2 PRO 44 HB2 PRO 44 -1.952 20.621 1.471 393 HB3 PRO 44 HB3 PRO 44 -1.161 19.153 2.037 394 HG2 PRO 44 HG2 PRO 44 -1.666 20.089 -0.726 395 HG3 PRO 44 HG3 PRO 44 -0.353 19.073 -0.101 396 HD2 PRO 44 HD2 PRO 44 -2.310 18.036 -1.556 397 HD3 PRO 44 HD3 PRO 44 -1.672 17.148 -0.157 398 H ASP 45 H ASP 45 -4.368 20.653 0.012 399 HA ASP 45 HA ASP 45 -5.277 22.353 2.085 400 HB2 ASP 45 HB2 ASP 45 -4.806 23.253 -0.123 401 HB3 ASP 45 HB3 ASP 45 -6.056 22.239 -0.833 402 H LYS 46 H LYS 46 -6.616 19.571 0.618 403 HA LYS 46 HA LYS 46 -9.360 20.173 1.274 404 HB2 LYS 46 HB2 LYS 46 -8.067 17.560 0.493 405 HB3 LYS 46 HB3 LYS 46 -9.779 17.917 0.471 406 HG2 LYS 46 HG2 LYS 46 -8.954 19.871 -1.113 407 HG3 LYS 46 HG3 LYS 46 -7.647 18.728 -1.392 408 HD2 LYS 46 HD2 LYS 46 -9.188 17.032 -2.095 409 HD3 LYS 46 HD3 LYS 46 -10.566 18.035 -1.642 410 HE2 LYS 46 HE2 LYS 46 -8.554 18.736 -3.770 411 HE3 LYS 46 HE3 LYS 46 -10.124 17.995 -4.079 412 HZ1 LYS 46 HZ1 LYS 46 -9.643 20.663 -2.865 413 HZ2 LYS 46 HZ2 LYS 46 -11.163 19.948 -3.033 414 HZ3 LYS 46 HZ3 LYS 46 -10.266 20.356 -4.406 415 H ASN 47 H ASN 47 -7.012 19.815 3.316 416 HA ASN 47 HA ASN 47 -8.128 17.564 4.841 417 HB2 ASN 47 HB2 ASN 47 -5.333 18.708 4.947 418 HB3 ASN 47 HB3 ASN 47 -5.913 17.330 5.862 419 HD21 ASN 47 HD21 ASN 47 -6.513 18.106 2.467 420 HD22 ASN 47 HD22 ASN 47 -5.760 16.676 1.853 421 HA PRO 48 HA PRO 48 -8.892 20.599 8.054 422 HB2 PRO 48 HB2 PRO 48 -9.868 18.489 9.696 423 HB3 PRO 48 HB3 PRO 48 -10.802 19.729 8.867 424 HG2 PRO 48 HG2 PRO 48 -10.842 17.027 8.257 425 HG3 PRO 48 HG3 PRO 48 -11.361 18.326 7.175 426 HD2 PRO 48 HD2 PRO 48 -8.822 16.774 7.195 427 HD3 PRO 48 HD3 PRO 48 -9.718 17.470 5.829 428 H ASP 49 H ASP 49 -8.716 19.913 10.679 429 HA ASP 49 HA ASP 49 -5.936 20.090 11.035 430 HB2 ASP 49 HB2 ASP 49 -7.703 21.055 12.499 431 HB3 ASP 49 HB3 ASP 49 -8.008 19.438 13.123 432 H ASN 50 H ASN 50 -8.161 17.392 11.238 433 HA ASN 50 HA ASN 50 -6.414 15.527 12.438 434 HB2 ASN 50 HB2 ASN 50 -7.932 13.818 11.340 435 HB3 ASN 50 HB3 ASN 50 -8.725 14.968 12.400 436 HD21 ASN 50 HD21 ASN 50 -8.377 13.822 9.192 437 HD22 ASN 50 HD22 ASN 50 -9.635 14.757 8.480 438 HA PRO 51 HA PRO 51 -3.663 14.845 9.002 439 HB2 PRO 51 HB2 PRO 51 -2.125 12.965 10.121 440 HB3 PRO 51 HB3 PRO 51 -2.098 14.636 10.699 441 HG2 PRO 51 HG2 PRO 51 -3.523 12.260 11.839 442 HG3 PRO 51 HG3 PRO 51 -2.598 13.515 12.680 443 HD2 PRO 51 HD2 PRO 51 -5.331 13.506 12.493 444 HD3 PRO 51 HD3 PRO 51 -4.361 14.978 12.689 445 H GLU 52 H GLU 52 -6.262 13.192 9.429 446 HA GLU 52 HA GLU 52 -5.692 10.503 8.742 447 HB2 GLU 52 HB2 GLU 52 -7.789 11.186 9.832 448 HB3 GLU 52 HB3 GLU 52 -8.215 12.128 8.405 449 HG2 GLU 52 HG2 GLU 52 -8.559 10.227 7.110 450 HG3 GLU 52 HG3 GLU 52 -7.748 9.174 8.265 451 H ALA 53 H ALA 53 -6.915 13.250 6.906 452 HA ALA 53 HA ALA 53 -7.013 11.926 4.423 453 HB1 ALA 53 HB1 ALA 53 -6.789 14.885 4.901 454 HB2 ALA 53 HB2 ALA 53 -8.277 13.966 5.119 455 HB3 ALA 53 HB3 ALA 53 -7.528 14.067 3.520 456 H ALA 54 H ALA 54 -4.523 13.588 6.154 457 HA ALA 54 HA ALA 54 -2.706 13.902 3.990 458 HB1 ALA 54 HB1 ALA 54 -2.527 15.261 5.993 459 HB2 ALA 54 HB2 ALA 54 -1.048 14.331 5.755 460 HB3 ALA 54 HB3 ALA 54 -2.224 13.822 6.967 461 H ASP 55 H ASP 55 -3.146 11.496 6.537 462 HA ASP 55 HA ASP 55 -1.019 9.776 5.870 463 HB2 ASP 55 HB2 ASP 55 -2.811 9.800 7.849 464 HB3 ASP 55 HB3 ASP 55 -3.590 8.635 6.804 465 H LYS 56 H LYS 56 -4.361 9.923 4.958 466 HA LYS 56 HA LYS 56 -4.628 7.837 3.201 467 HB2 LYS 56 HB2 LYS 56 -5.810 10.440 3.690 468 HB3 LYS 56 HB3 LYS 56 -6.033 9.878 2.031 469 HG2 LYS 56 HG2 LYS 56 -6.974 8.636 4.591 470 HG3 LYS 56 HG3 LYS 56 -7.919 9.238 3.239 471 HD2 LYS 56 HD2 LYS 56 -6.208 6.757 3.296 472 HD3 LYS 56 HD3 LYS 56 -7.964 6.835 3.234 473 HE2 LYS 56 HE2 LYS 56 -7.729 6.598 1.032 474 HE3 LYS 56 HE3 LYS 56 -7.209 8.281 1.007 475 HZ1 LYS 56 HZ1 LYS 56 -4.948 7.574 1.067 476 HZ2 LYS 56 HZ2 LYS 56 -5.719 6.669 -0.138 477 HZ3 LYS 56 HZ3 LYS 56 -5.387 5.965 1.369 478 H PHE 57 H PHE 57 -3.828 11.194 2.305 479 HA PHE 57 HA PHE 57 -3.100 10.754 -0.317 480 HB2 PHE 57 HB2 PHE 57 -3.248 12.985 0.864 481 HB3 PHE 57 HB3 PHE 57 -1.633 12.669 1.497 482 HD1 PHE 57 HD1 PHE 57 -1.652 11.227 -1.627 483 HD2 PHE 57 HD2 PHE 57 -1.633 15.078 0.183 484 HE1 PHE 57 HE1 PHE 57 -0.658 12.180 -3.663 485 HE2 PHE 57 HE2 PHE 57 -0.640 16.032 -1.848 486 HZ PHE 57 HZ PHE 57 -0.197 14.655 -3.764 487 H LYS 58 H LYS 58 -1.133 10.451 2.549 488 HA LYS 58 HA LYS 58 1.335 9.876 1.439 489 HB2 LYS 58 HB2 LYS 58 0.712 10.326 3.826 490 HB3 LYS 58 HB3 LYS 58 0.175 8.659 3.937 491 HG2 LYS 58 HG2 LYS 58 2.464 7.926 3.393 492 HG3 LYS 58 HG3 LYS 58 2.974 9.619 3.400 493 HD2 LYS 58 HD2 LYS 58 1.885 7.997 5.695 494 HD3 LYS 58 HD3 LYS 58 3.482 8.736 5.554 495 HE2 LYS 58 HE2 LYS 58 2.518 10.946 5.678 496 HE3 LYS 58 HE3 LYS 58 0.882 10.274 5.663 497 HZ1 LYS 58 HZ1 LYS 58 1.592 10.893 7.897 498 HZ2 LYS 58 HZ2 LYS 58 2.910 9.839 7.797 499 HZ3 LYS 58 HZ3 LYS 58 1.335 9.225 7.790 500 H GLU 59 H GLU 59 -1.301 7.605 2.281 501 HA GLU 59 HA GLU 59 0.177 5.333 1.384 502 HB2 GLU 59 HB2 GLU 59 -2.086 4.181 1.531 503 HB3 GLU 59 HB3 GLU 59 -1.340 4.749 3.005 504 HG2 GLU 59 HG2 GLU 59 -2.792 6.660 3.037 505 HG3 GLU 59 HG3 GLU 59 -3.502 6.191 1.489 506 H ILE 60 H ILE 60 -2.123 7.488 -0.172 507 HA ILE 60 HA ILE 60 -2.556 5.981 -2.529 508 HB ILE 60 HB ILE 60 -2.193 8.977 -2.506 509 HG12 ILE 60 HG12 ILE 60 -4.796 7.545 -1.991 510 HG13 ILE 60 HG13 ILE 60 -3.784 8.176 -0.697 511 HG21 ILE 60 HG21 ILE 60 -3.670 8.985 -4.376 512 HG22 ILE 60 HG22 ILE 60 -4.008 7.267 -4.175 513 HG23 ILE 60 HG23 ILE 60 -2.406 7.796 -4.670 514 HD11 ILE 60 HD11 ILE 60 -5.469 9.784 -1.134 515 HD12 ILE 60 HD12 ILE 60 -5.164 9.722 -2.871 516 HD13 ILE 60 HD13 ILE 60 -3.966 10.422 -1.796 517 H ASN 61 H ASN 61 -0.187 8.434 -1.689 518 HA ASN 61 HA ASN 61 1.362 8.352 -4.021 519 HB2 ASN 61 HB2 ASN 61 1.348 10.113 -2.196 520 HB3 ASN 61 HB3 ASN 61 2.331 9.016 -1.228 521 HD21 ASN 61 HD21 ASN 61 2.964 11.657 -2.146 522 HD22 ASN 61 HD22 ASN 61 4.392 11.524 -3.114 523 H ASN 62 H ASN 62 1.503 6.505 -1.026 524 HA ASN 62 HA ASN 62 3.928 5.162 -1.566 525 HB2 ASN 62 HB2 ASN 62 2.631 5.338 0.662 526 HB3 ASN 62 HB3 ASN 62 1.718 3.953 0.066 527 HD21 ASN 62 HD21 ASN 62 2.482 2.559 1.620 528 HD22 ASN 62 HD22 ASN 62 4.118 2.004 1.657 529 H ALA 63 H ALA 63 0.582 3.944 -1.782 530 HA ALA 63 HA ALA 63 1.116 1.511 -2.987 531 HB1 ALA 63 HB1 ALA 63 -1.297 3.279 -3.358 532 HB2 ALA 63 HB2 ALA 63 -1.062 2.077 -2.087 533 HB3 ALA 63 HB3 ALA 63 -1.215 1.567 -3.768 534 H HIS 64 H HIS 64 0.732 4.667 -4.441 535 HA HIS 64 HA HIS 64 0.692 4.170 -7.130 536 HB2 HIS 64 HB2 HIS 64 0.544 6.398 -6.609 537 HB3 HIS 64 HB3 HIS 64 1.789 6.310 -5.381 538 HD1 HIS 64 HD1 HIS 64 1.256 7.059 -8.994 539 HD2 HIS 64 HD2 HIS 64 4.410 6.733 -6.303 540 HE1 HIS 64 HE1 HIS 64 3.227 8.138 -10.116 541 HE2 HIS 64 HE2 HIS 64 5.148 7.814 -8.526 542 H ALA 65 H ALA 65 3.467 3.971 -4.961 543 HA ALA 65 HA ALA 65 5.214 3.222 -7.178 544 HB1 ALA 65 HB1 ALA 65 7.019 3.362 -5.585 545 HB2 ALA 65 HB2 ALA 65 5.875 3.546 -4.256 546 HB3 ALA 65 HB3 ALA 65 6.024 4.813 -5.474 547 H ILE 66 H ILE 66 4.004 1.932 -4.130 548 HA ILE 66 HA ILE 66 5.463 -0.348 -3.851 549 HB ILE 66 HB ILE 66 2.520 -0.244 -3.216 550 HG12 ILE 66 HG12 ILE 66 3.435 1.752 -2.282 551 HG13 ILE 66 HG13 ILE 66 3.281 0.593 -0.969 552 HG21 ILE 66 HG21 ILE 66 3.536 -2.429 -2.952 553 HG22 ILE 66 HG22 ILE 66 3.139 -1.740 -1.377 554 HG23 ILE 66 HG23 ILE 66 4.811 -1.733 -1.947 555 HD11 ILE 66 HD11 ILE 66 5.653 0.129 -1.079 556 HD12 ILE 66 HD12 ILE 66 5.355 1.853 -0.855 557 HD13 ILE 66 HD13 ILE 66 5.814 1.235 -2.444 558 H LEU 67 H LEU 67 2.283 -0.241 -5.504 559 HA LEU 67 HA LEU 67 2.245 -3.052 -5.832 560 HB2 LEU 67 HB2 LEU 67 0.600 -0.886 -7.104 561 HB3 LEU 67 HB3 LEU 67 0.329 -2.588 -7.409 562 HG LEU 67 HG LEU 67 -1.061 -2.615 -5.682 563 HD11 LEU 67 HD11 LEU 67 -0.212 -2.558 -3.413 564 HD12 LEU 67 HD12 LEU 67 1.293 -1.834 -3.980 565 HD13 LEU 67 HD13 LEU 67 0.866 -3.478 -4.464 566 HD21 LEU 67 HD21 LEU 67 -0.041 0.128 -4.980 567 HD22 LEU 67 HD22 LEU 67 -1.468 -0.643 -4.287 568 HD23 LEU 67 HD23 LEU 67 -1.426 -0.250 -6.006 569 H THR 68 H THR 68 3.253 -0.457 -7.972 570 HA THR 68 HA THR 68 3.620 -2.310 -10.166 571 HB THR 68 HB THR 68 2.817 -0.139 -10.772 572 HG1 THR 68 HG1 THR 68 5.251 -1.040 -11.645 573 HG21 THR 68 HG21 THR 68 4.326 1.862 -10.411 574 HG22 THR 68 HG22 THR 68 5.188 0.868 -9.238 575 HG23 THR 68 HG23 THR 68 3.480 1.237 -9.000 576 H ASP 69 H ASP 69 5.361 -1.476 -7.452 577 HA ASP 69 HA ASP 69 7.973 -1.745 -8.722 578 HB2 ASP 69 HB2 ASP 69 7.571 -0.070 -6.870 579 HB3 ASP 69 HB3 ASP 69 7.343 -1.443 -5.781 580 H ALA 70 H ALA 70 9.419 -3.426 -8.130 581 HA ALA 70 HA ALA 70 8.080 -5.928 -7.645 582 HB1 ALA 70 HB1 ALA 70 9.859 -5.787 -9.315 583 HB2 ALA 70 HB2 ALA 70 10.246 -6.956 -8.050 584 HB3 ALA 70 HB3 ALA 70 11.012 -5.369 -8.048 585 H THR 71 H THR 71 10.287 -3.795 -5.873 586 HA THR 71 HA THR 71 10.784 -5.846 -3.870 587 HB THR 71 HB THR 71 11.720 -2.982 -4.075 588 HG1 THR 71 HG1 THR 71 13.772 -4.211 -4.356 589 HG21 THR 71 HG21 THR 71 13.235 -3.548 -2.216 590 HG22 THR 71 HG22 THR 71 12.432 -5.112 -2.056 591 HG23 THR 71 HG23 THR 71 11.537 -3.624 -1.736 592 H LYS 72 H LYS 72 9.194 -2.678 -4.055 593 HA LYS 72 HA LYS 72 8.449 -2.641 -1.323 594 HB2 LYS 72 HB2 LYS 72 7.725 -1.062 -3.742 595 HB3 LYS 72 HB3 LYS 72 6.744 -0.894 -2.289 596 HG2 LYS 72 HG2 LYS 72 8.551 -0.141 -1.012 597 HG3 LYS 72 HG3 LYS 72 9.729 -0.646 -2.223 598 HD2 LYS 72 HD2 LYS 72 7.696 1.547 -2.595 599 HD3 LYS 72 HD3 LYS 72 9.383 1.797 -2.151 600 HE2 LYS 72 HE2 LYS 72 10.052 0.671 -4.238 601 HE3 LYS 72 HE3 LYS 72 8.353 0.553 -4.698 602 HZ1 LYS 72 HZ1 LYS 72 8.295 3.039 -4.487 603 HZ2 LYS 72 HZ2 LYS 72 9.251 2.460 -5.754 604 HZ3 LYS 72 HZ3 LYS 72 9.977 3.010 -4.332 605 H ARG 73 H ARG 73 7.129 -4.128 -4.071 606 HA ARG 73 HA ARG 73 4.627 -4.785 -2.756 607 HB2 ARG 73 HB2 ARG 73 4.533 -4.340 -5.115 608 HB3 ARG 73 HB3 ARG 73 5.819 -5.491 -5.436 609 HG2 ARG 73 HG2 ARG 73 4.401 -7.323 -4.918 610 HG3 ARG 73 HG3 ARG 73 3.115 -6.241 -4.360 611 HD2 ARG 73 HD2 ARG 73 2.931 -5.287 -6.595 612 HD3 ARG 73 HD3 ARG 73 4.230 -6.326 -7.160 613 HE ARG 73 HE ARG 73 2.252 -7.984 -6.137 614 HH11 ARG 73 HH11 ARG 73 2.603 -5.624 -8.698 615 HH12 ARG 73 HH12 ARG 73 1.466 -6.399 -9.755 616 HH21 ARG 73 HH21 ARG 73 0.740 -9.022 -7.532 617 HH22 ARG 73 HH22 ARG 73 0.404 -8.335 -9.090 618 H ASN 74 H ASN 74 7.684 -6.201 -3.636 619 HA ASN 74 HA ASN 74 7.374 -8.830 -2.914 620 HB2 ASN 74 HB2 ASN 74 9.432 -7.929 -3.909 621 HB3 ASN 74 HB3 ASN 74 9.779 -7.077 -2.411 622 HD21 ASN 74 HD21 ASN 74 10.363 -8.265 -0.578 623 HD22 ASN 74 HD22 ASN 74 11.040 -9.841 -0.723 624 H ILE 75 H ILE 75 8.648 -6.287 -0.697 625 HA ILE 75 HA ILE 75 8.481 -8.069 1.521 626 HB ILE 75 HB ILE 75 9.133 -6.375 2.979 627 HG12 ILE 75 HG12 ILE 75 7.445 -4.688 2.387 628 HG13 ILE 75 HG13 ILE 75 9.052 -3.988 2.528 629 HG21 ILE 75 HG21 ILE 75 10.865 -7.011 1.440 630 HG22 ILE 75 HG22 ILE 75 11.035 -5.317 1.898 631 HG23 ILE 75 HG23 ILE 75 10.371 -5.742 0.321 632 HD11 ILE 75 HD11 ILE 75 7.833 -3.074 0.650 633 HD12 ILE 75 HD12 ILE 75 7.652 -4.697 -0.032 634 HD13 ILE 75 HD13 ILE 75 9.258 -3.966 0.110 635 H TYR 76 H TYR 76 6.243 -5.901 0.046 636 HA TYR 76 HA TYR 76 4.357 -5.622 2.080 637 HB2 TYR 76 HB2 TYR 76 3.846 -4.330 0.244 638 HB3 TYR 76 HB3 TYR 76 4.326 -5.576 -0.896 639 HD1 TYR 76 HD1 TYR 76 2.765 -7.322 -1.565 640 HD2 TYR 76 HD2 TYR 76 1.580 -4.212 1.083 641 HE1 TYR 76 HE1 TYR 76 0.409 -7.878 -1.982 642 HE2 TYR 76 HE2 TYR 76 -0.781 -4.764 0.679 643 HH TYR 76 HH TYR 76 -1.771 -7.611 -0.876 644 H ASP 77 H ASP 77 4.968 -8.198 -0.199 645 HA ASP 77 HA ASP 77 2.749 -9.804 0.786 646 HB2 ASP 77 HB2 ASP 77 3.087 -9.822 -1.586 647 HB3 ASP 77 HB3 ASP 77 4.797 -10.195 -1.400 648 H LYS 78 H LYS 78 6.045 -9.360 1.410 649 HA LYS 78 HA LYS 78 6.498 -12.046 2.447 650 HB2 LYS 78 HB2 LYS 78 8.140 -9.908 1.489 651 HB3 LYS 78 HB3 LYS 78 8.646 -10.316 3.118 652 HG2 LYS 78 HG2 LYS 78 9.977 -11.709 1.894 653 HG3 LYS 78 HG3 LYS 78 8.602 -12.766 2.206 654 HD2 LYS 78 HD2 LYS 78 9.151 -11.210 -0.321 655 HD3 LYS 78 HD3 LYS 78 9.306 -12.953 -0.109 656 HE2 LYS 78 HE2 LYS 78 6.851 -12.978 0.447 657 HE3 LYS 78 HE3 LYS 78 6.803 -11.293 -0.070 658 HZ1 LYS 78 HZ1 LYS 78 6.126 -12.778 -1.837 659 HZ2 LYS 78 HZ2 LYS 78 7.606 -13.597 -1.759 660 HZ3 LYS 78 HZ3 LYS 78 7.560 -11.982 -2.255 661 H TYR 79 H TYR 79 6.797 -8.740 3.715 662 HA TYR 79 HA TYR 79 6.403 -9.817 6.428 663 HB2 TYR 79 HB2 TYR 79 7.985 -7.353 5.660 664 HB3 TYR 79 HB3 TYR 79 7.874 -8.081 7.255 665 HD1 TYR 79 HD2 TYR 79 8.663 -10.608 7.362 666 HD2 TYR 79 HD1 TYR 79 9.840 -7.824 4.372 667 HE1 TYR 79 HE2 TYR 79 10.652 -11.970 6.888 668 HE2 TYR 79 HE1 TYR 79 11.831 -9.179 3.886 669 HH TYR 79 HH TYR 79 12.213 -12.341 4.970 670 H GLY 80 H GLY 80 6.212 -6.810 4.549 671 HA2 GLY 80 HA2 GLY 80 4.357 -5.527 4.071 672 HA3 GLY 80 HA3 GLY 80 3.381 -6.640 5.013 673 H SER 81 H SER 81 4.625 -6.309 7.558 674 HA SER 81 HA SER 81 3.418 -3.742 8.173 675 HB2 SER 81 HB2 SER 81 3.850 -4.548 10.587 676 HB3 SER 81 HB3 SER 81 2.663 -5.423 9.624 677 HG SER 81 HG SER 81 4.852 -6.364 10.798 678 H LEU 82 H LEU 82 6.486 -5.355 9.005 679 HA LEU 82 HA LEU 82 7.705 -2.851 9.742 680 HB2 LEU 82 HB2 LEU 82 8.217 -5.288 10.583 681 HB3 LEU 82 HB3 LEU 82 9.239 -5.368 9.166 682 HG LEU 82 HG LEU 82 9.535 -3.405 11.447 683 HD11 LEU 82 HD11 LEU 82 10.143 -5.690 12.048 684 HD12 LEU 82 HD12 LEU 82 11.564 -4.649 11.962 685 HD13 LEU 82 HD13 LEU 82 11.218 -5.779 10.651 686 HD21 LEU 82 HD21 LEU 82 11.305 -3.832 9.040 687 HD22 LEU 82 HD22 LEU 82 11.635 -2.755 10.396 688 HD23 LEU 82 HD23 LEU 82 10.274 -2.429 9.321 689 H GLY 83 H GLY 83 8.110 -5.228 7.138 690 HA2 GLY 83 HA2 GLY 83 10.293 -4.132 5.869 691 HA3 GLY 83 HA3 GLY 83 9.082 -5.112 5.070 692 H LEU 84 H LEU 84 6.932 -3.144 5.464 693 HA LEU 84 HA LEU 84 7.524 -1.678 3.066 694 HB2 LEU 84 HB2 LEU 84 5.302 -2.742 3.641 695 HB3 LEU 84 HB3 LEU 84 5.064 -1.433 4.782 696 HG LEU 84 HG LEU 84 5.322 0.166 2.844 697 HD11 LEU 84 HD11 LEU 84 5.082 -2.396 1.265 698 HD12 LEU 84 HD12 LEU 84 6.452 -1.286 1.273 699 HD13 LEU 84 HD13 LEU 84 4.907 -0.774 0.598 700 HD21 LEU 84 HD21 LEU 84 3.156 -0.446 3.831 701 HD22 LEU 84 HD22 LEU 84 3.035 -1.790 2.695 702 HD23 LEU 84 HD23 LEU 84 3.042 -0.129 2.101 703 H TYR 85 H TYR 85 6.911 -0.858 6.461 704 HA TYR 85 HA TYR 85 6.874 1.947 6.050 705 HB2 TYR 85 HB2 TYR 85 6.182 1.992 8.187 706 HB3 TYR 85 HB3 TYR 85 6.238 0.237 8.140 707 HD1 TYR 85 HD2 TYR 85 8.274 -0.945 9.038 708 HD2 TYR 85 HD1 TYR 85 7.682 3.240 9.526 709 HE1 TYR 85 HE2 TYR 85 9.943 -0.922 10.842 710 HE2 TYR 85 HE1 TYR 85 9.351 3.269 11.330 711 HH TYR 85 HH TYR 85 11.384 0.560 11.997 712 H VAL 86 H VAL 86 9.392 -0.354 6.792 713 HA VAL 86 HA VAL 86 11.344 1.591 7.517 714 HB VAL 86 HB VAL 86 11.649 -0.573 8.423 715 HG11 VAL 86 HG11 VAL 86 11.868 -2.576 7.151 716 HG12 VAL 86 HG12 VAL 86 11.765 -1.688 5.635 717 HG13 VAL 86 HG13 VAL 86 10.364 -1.783 6.706 718 HG21 VAL 86 HG21 VAL 86 13.854 -1.318 7.417 719 HG22 VAL 86 HG22 VAL 86 13.765 0.344 8.015 720 HG23 VAL 86 HG23 VAL 86 13.660 0.022 6.282 721 H ALA 87 H ALA 87 10.490 -0.104 4.543 722 HA ALA 87 HA ALA 87 12.770 0.543 3.040 723 HB1 ALA 87 HB1 ALA 87 11.474 0.021 1.095 724 HB2 ALA 87 HB2 ALA 87 9.971 0.159 2.008 725 HB3 ALA 87 HB3 ALA 87 11.110 -1.139 2.373 726 H GLU 88 H GLU 88 9.818 2.315 3.706 727 HA GLU 88 HA GLU 88 9.942 4.253 1.705 728 HB2 GLU 88 HB2 GLU 88 8.921 4.569 4.527 729 HB3 GLU 88 HB3 GLU 88 8.533 5.611 3.170 730 HG2 GLU 88 HG2 GLU 88 7.351 3.827 2.074 731 HG3 GLU 88 HG3 GLU 88 7.837 2.692 3.335 732 H GLN 89 H GLN 89 11.015 4.563 5.089 733 HA GLN 89 HA GLN 89 12.286 7.086 4.415 734 HB2 GLN 89 HB2 GLN 89 12.654 7.187 6.932 735 HB3 GLN 89 HB3 GLN 89 10.992 7.240 6.363 736 HG2 GLN 89 HG2 GLN 89 10.720 4.881 6.893 737 HG3 GLN 89 HG3 GLN 89 12.399 4.801 7.426 738 HE21 GLN 89 HE21 GLN 89 9.883 4.299 8.860 739 HE22 GLN 89 HE22 GLN 89 9.919 5.337 10.243 740 H PHE 90 H PHE 90 13.246 3.814 5.096 741 HA PHE 90 HA PHE 90 15.999 4.705 5.555 742 HB2 PHE 90 HB2 PHE 90 14.647 2.051 6.025 743 HB3 PHE 90 HB3 PHE 90 16.400 2.252 6.105 744 HD1 PHE 90 HD2 PHE 90 17.395 3.681 7.849 745 HD2 PHE 90 HD1 PHE 90 13.233 2.816 7.754 746 HE1 PHE 90 HE2 PHE 90 17.196 4.409 10.191 747 HE2 PHE 90 HE1 PHE 90 13.024 3.543 10.093 748 HZ PHE 90 HZ PHE 90 15.039 4.354 11.313 749 H GLY 91 H GLY 91 14.009 3.008 3.218 750 HA2 GLY 91 HA2 GLY 91 14.841 3.055 0.916 751 HA3 GLY 91 HA3 GLY 91 16.443 2.718 1.564 752 H GLU 92 H GLU 92 14.570 1.275 -0.330 753 HA GLU 92 HA GLU 92 13.393 -0.928 0.985 754 HB2 GLU 92 HB2 GLU 92 14.293 -0.956 -1.892 755 HB3 GLU 92 HB3 GLU 92 12.892 -1.736 -1.171 756 HG2 GLU 92 HG2 GLU 92 11.638 0.146 -1.204 757 HG3 GLU 92 HG3 GLU 92 13.038 1.210 -1.053 758 H GLU 93 H GLU 93 16.420 -0.573 -0.805 759 HA GLU 93 HA GLU 93 17.209 -3.295 -0.385 760 HB2 GLU 93 HB2 GLU 93 19.377 -2.608 -1.288 761 HB3 GLU 93 HB3 GLU 93 18.058 -2.024 -2.291 762 HG2 GLU 93 HG2 GLU 93 18.273 0.188 -1.245 763 HG3 GLU 93 HG3 GLU 93 19.630 -0.411 -0.295 764 H ASN 94 H ASN 94 17.362 -0.430 1.457 765 HA ASN 94 HA ASN 94 19.660 -1.096 3.024 766 HB2 ASN 94 HB2 ASN 94 17.508 0.985 3.242 767 HB3 ASN 94 HB3 ASN 94 18.685 0.760 4.519 768 HD21 ASN 94 HD21 ASN 94 20.750 1.456 4.214 769 HD22 ASN 94 HD22 ASN 94 21.235 2.381 2.842 770 H VAL 95 H VAL 95 16.206 -1.388 3.386 771 HA VAL 95 HA VAL 95 15.729 -1.862 5.980 772 HB VAL 95 HB VAL 95 13.844 -3.182 5.450 773 HG11 VAL 95 HG11 VAL 95 12.792 -1.968 3.630 774 HG12 VAL 95 HG12 VAL 95 14.368 -1.366 3.116 775 HG13 VAL 95 HG13 VAL 95 13.709 -0.890 4.678 776 HG21 VAL 95 HG21 VAL 95 13.486 -4.317 3.347 777 HG22 VAL 95 HG22 VAL 95 14.977 -4.898 4.101 778 HG23 VAL 95 HG23 VAL 95 15.050 -3.759 2.754 779 H ASN 96 H ASN 96 17.400 -4.092 3.867 780 HA ASN 96 HA ASN 96 17.180 -6.464 5.288 781 HB2 ASN 96 HB2 ASN 96 18.134 -6.299 3.040 782 HB3 ASN 96 HB3 ASN 96 19.540 -5.458 3.690 783 HD21 ASN 96 HD21 ASN 96 17.813 -8.484 3.599 784 HD22 ASN 96 HD22 ASN 96 19.121 -9.478 4.144 785 H THR 97 H THR 97 18.861 -3.599 6.118 786 HA THR 97 HA THR 97 20.796 -4.663 7.862 787 HB THR 97 HB THR 97 20.866 -2.342 7.043 788 HG1 THR 97 HG1 THR 97 22.072 -2.325 8.804 789 HG21 THR 97 HG21 THR 97 19.414 -0.619 8.042 790 HG22 THR 97 HG22 THR 97 18.485 -1.886 8.842 791 HG23 THR 97 HG23 THR 97 18.504 -1.786 7.078 792 H TYR 98 H TYR 98 17.438 -3.728 8.346 793 HA TYR 98 HA TYR 98 17.506 -4.475 11.153 794 HB2 TYR 98 HB2 TYR 98 15.340 -3.449 9.324 795 HB3 TYR 98 HB3 TYR 98 14.968 -4.073 10.934 796 HD1 TYR 98 HD1 TYR 98 16.366 -2.981 12.891 797 HD2 TYR 98 HD2 TYR 98 15.769 -1.200 9.072 798 HE1 TYR 98 HE1 TYR 98 16.888 -0.774 13.843 799 HE2 TYR 98 HE2 TYR 98 16.288 1.010 10.014 800 HH TYR 98 HH TYR 98 17.765 1.441 12.978 801 H PHE 99 H PHE 99 17.111 -5.969 8.182 802 HA PHE 99 HA PHE 99 15.426 -8.100 9.268 803 HB2 PHE 99 HB2 PHE 99 15.987 -7.163 6.467 804 HB3 PHE 99 HB3 PHE 99 15.268 -8.736 6.770 805 HD1 PHE 99 HD1 PHE 99 13.088 -8.876 7.926 806 HD2 PHE 99 HD2 PHE 99 14.747 -5.198 6.611 807 HE1 PHE 99 HE1 PHE 99 10.876 -7.847 8.075 808 HE2 PHE 99 HE2 PHE 99 12.524 -4.139 6.758 809 HZ PHE 99 HZ PHE 99 10.591 -5.453 7.530 810 H VAL 100 H VAL 100 16.039 -10.062 7.503 811 HA VAL 100 HA VAL 100 18.061 -11.462 8.702 812 HB VAL 100 HB VAL 100 16.339 -12.610 7.524 813 HG11 VAL 100 HG11 VAL 100 15.865 -10.952 5.804 814 HG12 VAL 100 HG12 VAL 100 16.096 -12.549 5.087 815 HG13 VAL 100 HG13 VAL 100 17.381 -11.343 4.992 816 HG21 VAL 100 HG21 VAL 100 18.446 -13.793 7.643 817 HG22 VAL 100 HG22 VAL 100 18.979 -13.045 6.138 818 HG23 VAL 100 HG23 VAL 100 17.623 -14.174 6.129 Start of MODEL 5 1 H1 MET -4 H1 MET -4 2.736 -12.773 -11.324 2 H2 MET -4 H2 MET -4 3.867 -11.951 -10.372 3 H3 MET -4 H3 MET -4 2.256 -11.447 -10.392 4 HA MET -4 HA MET -4 2.753 -12.629 -8.372 5 HB2 MET -4 HB2 MET -4 0.806 -13.702 -10.351 6 HB3 MET -4 HB3 MET -4 1.048 -14.608 -8.865 7 HG2 MET -4 HG2 MET -4 0.290 -11.700 -9.004 8 HG3 MET -4 HG3 MET -4 -0.838 -13.032 -8.757 9 HE1 MET -4 HE1 MET -4 -0.826 -11.510 -5.191 10 HE2 MET -4 HE2 MET -4 -1.807 -12.095 -6.534 11 HE3 MET -4 HE3 MET -4 -0.817 -10.649 -6.729 12 H ARG -3 H ARG -3 4.538 -13.709 -10.848 13 HA ARG -3 HA ARG -3 4.939 -16.428 -9.977 14 HB2 ARG -3 HB2 ARG -3 6.494 -14.682 -11.895 15 HB3 ARG -3 HB3 ARG -3 6.885 -16.363 -11.558 16 HG2 ARG -3 HG2 ARG -3 4.678 -17.029 -12.399 17 HG3 ARG -3 HG3 ARG -3 4.330 -15.341 -12.775 18 HD2 ARG -3 HD2 ARG -3 5.069 -16.573 -14.755 19 HD3 ARG -3 HD3 ARG -3 6.193 -15.283 -14.334 20 HE ARG -3 HE ARG -3 7.327 -17.351 -13.107 21 HH11 ARG -3 HH11 ARG -3 5.967 -17.140 -16.329 22 HH12 ARG -3 HH12 ARG -3 7.084 -18.283 -17.007 23 HH21 ARG -3 HH21 ARG -3 8.785 -18.864 -14.002 24 HH22 ARG -3 HH22 ARG -3 8.677 -19.265 -15.687 25 H SER -2 H SER -2 5.221 -15.621 -7.720 26 HA SER -2 HA SER -2 7.739 -14.325 -7.120 27 HB2 SER -2 HB2 SER -2 5.593 -15.372 -5.262 28 HB3 SER -2 HB3 SER -2 6.923 -14.301 -4.821 29 HG SER -2 HG SER -2 6.025 -12.797 -6.386 30 HA PRO -1 HA PRO -1 9.797 -18.331 -6.845 31 HB2 PRO -1 HB2 PRO -1 11.957 -16.597 -5.790 32 HB3 PRO -1 HB3 PRO -1 11.997 -17.761 -7.118 33 HG2 PRO -1 HG2 PRO -1 12.016 -15.131 -7.587 34 HG3 PRO -1 HG3 PRO -1 11.136 -16.250 -8.644 35 HD2 PRO -1 HD2 PRO -1 10.085 -14.423 -6.524 36 HD3 PRO -1 HD3 PRO -1 9.398 -14.824 -8.112 37 H GLY 0 H GLY 0 10.145 -19.707 -5.166 38 HA2 GLY 0 HA2 GLY 0 10.551 -20.336 -2.944 39 HA3 GLY 0 HA3 GLY 0 10.389 -18.654 -2.461 40 H MET 1 H MET 1 7.983 -19.962 -4.536 41 HA MET 1 HA MET 1 5.914 -19.483 -2.661 42 HB2 MET 1 HB2 MET 1 4.418 -20.504 -4.336 43 HB3 MET 1 HB3 MET 1 5.476 -19.290 -5.039 44 HG2 MET 1 HG2 MET 1 6.904 -21.021 -5.948 45 HG3 MET 1 HG3 MET 1 5.916 -22.265 -5.184 46 HE1 MET 1 HE1 MET 1 5.728 -23.481 -7.561 47 HE2 MET 1 HE2 MET 1 6.690 -22.201 -8.300 48 HE3 MET 1 HE3 MET 1 5.152 -22.678 -9.021 49 H ALA 2 H ALA 2 5.050 -20.747 -1.160 50 HA ALA 2 HA ALA 2 5.751 -23.611 -1.176 51 HB1 ALA 2 HB1 ALA 2 6.866 -22.379 0.635 52 HB2 ALA 2 HB2 ALA 2 5.706 -23.551 1.257 53 HB3 ALA 2 HB3 ALA 2 5.295 -21.837 1.223 54 H ASP 3 H ASP 3 4.138 -24.897 0.216 55 HA ASP 3 HA ASP 3 1.509 -24.336 -0.839 56 HB2 ASP 3 HB2 ASP 3 2.544 -26.648 -0.703 57 HB3 ASP 3 HB3 ASP 3 2.254 -26.577 1.032 58 H GLN 4 H GLN 4 0.204 -22.992 0.159 59 HA GLN 4 HA GLN 4 0.201 -22.931 3.097 60 HB2 GLN 4 HB2 GLN 4 -0.196 -20.445 2.897 61 HB3 GLN 4 HB3 GLN 4 1.418 -20.996 2.477 62 HG2 GLN 4 HG2 GLN 4 0.741 -20.927 0.082 63 HG3 GLN 4 HG3 GLN 4 -0.783 -20.201 0.587 64 HE21 GLN 4 HE21 GLN 4 1.333 -19.126 -1.116 65 HE22 GLN 4 HE22 GLN 4 1.836 -17.649 -0.373 66 H ARG 5 H ARG 5 -1.761 -23.135 4.000 67 HA ARG 5 HA ARG 5 -4.089 -22.933 2.205 68 HB2 ARG 5 HB2 ARG 5 -3.632 -25.053 4.305 69 HB3 ARG 5 HB3 ARG 5 -5.006 -24.943 3.211 70 HG2 ARG 5 HG2 ARG 5 -2.145 -25.408 2.419 71 HG3 ARG 5 HG3 ARG 5 -3.424 -26.624 2.466 72 HD2 ARG 5 HD2 ARG 5 -4.634 -25.500 0.726 73 HD3 ARG 5 HD3 ARG 5 -3.513 -24.136 0.768 74 HE ARG 5 HE ARG 5 -1.865 -26.154 0.168 75 HH11 ARG 5 HH11 ARG 5 -5.016 -25.335 -1.137 76 HH12 ARG 5 HH12 ARG 5 -4.638 -25.895 -2.734 77 HH21 ARG 5 HH21 ARG 5 -1.361 -26.878 -1.933 78 HH22 ARG 5 HH22 ARG 5 -2.566 -26.777 -3.188 79 H GLN 6 H GLN 6 -2.736 -21.897 5.089 80 HA GLN 6 HA GLN 6 -4.827 -21.731 6.878 81 HB2 GLN 6 HB2 GLN 6 -2.621 -19.776 6.298 82 HB3 GLN 6 HB3 GLN 6 -3.772 -19.525 7.597 83 HG2 GLN 6 HG2 GLN 6 -2.137 -22.020 7.351 84 HG3 GLN 6 HG3 GLN 6 -1.555 -20.592 8.201 85 HE21 GLN 6 HE21 GLN 6 -4.191 -19.895 9.235 86 HE22 GLN 6 HE22 GLN 6 -4.538 -21.042 10.482 87 H ARG 7 H ARG 7 -6.676 -20.623 7.023 88 HA ARG 7 HA ARG 7 -7.861 -19.738 4.666 89 HB2 ARG 7 HB2 ARG 7 -9.238 -20.717 6.274 90 HB3 ARG 7 HB3 ARG 7 -8.606 -19.711 7.570 91 HG2 ARG 7 HG2 ARG 7 -10.822 -19.035 7.056 92 HG3 ARG 7 HG3 ARG 7 -9.697 -17.779 6.532 93 HD2 ARG 7 HD2 ARG 7 -11.484 -18.227 4.872 94 HD3 ARG 7 HD3 ARG 7 -9.864 -18.528 4.247 95 HE ARG 7 HE ARG 7 -11.105 -20.876 5.326 96 HH11 ARG 7 HH11 ARG 7 -10.860 -18.848 2.486 97 HH12 ARG 7 HH12 ARG 7 -11.261 -20.126 1.386 98 HH21 ARG 7 HH21 ARG 7 -11.612 -22.566 3.870 99 HH22 ARG 7 HH22 ARG 7 -11.698 -22.237 2.170 100 H SER 8 H SER 8 -6.277 -18.014 7.260 101 HA SER 8 HA SER 8 -7.363 -15.476 6.497 102 HB2 SER 8 HB2 SER 8 -6.799 -16.067 8.818 103 HB3 SER 8 HB3 SER 8 -5.089 -16.071 8.385 104 HG SER 8 HG SER 8 -5.081 -13.960 8.421 105 H LEU 9 H LEU 9 -4.661 -17.370 5.485 106 HA LEU 9 HA LEU 9 -3.366 -15.036 4.320 107 HB2 LEU 9 HB2 LEU 9 -1.626 -16.540 3.527 108 HB3 LEU 9 HB3 LEU 9 -1.882 -16.705 5.248 109 HG LEU 9 HG LEU 9 -3.281 -18.780 4.661 110 HD11 LEU 9 HD11 LEU 9 -3.485 -18.376 2.256 111 HD12 LEU 9 HD12 LEU 9 -2.680 -19.911 2.587 112 HD13 LEU 9 HD13 LEU 9 -1.734 -18.507 2.086 113 HD21 LEU 9 HD21 LEU 9 -0.320 -18.823 4.119 114 HD22 LEU 9 HD22 LEU 9 -1.317 -20.170 4.676 115 HD23 LEU 9 HD23 LEU 9 -1.053 -18.773 5.721 116 H SER 10 H SER 10 -5.704 -17.350 3.531 117 HA SER 10 HA SER 10 -5.470 -17.336 0.717 118 HB2 SER 10 HB2 SER 10 -6.859 -18.960 1.992 119 HB3 SER 10 HB3 SER 10 -7.975 -17.652 2.368 120 HG SER 10 HG SER 10 -7.287 -18.269 -0.295 121 H THR 11 H THR 11 -6.990 -15.206 3.042 122 HA THR 11 HA THR 11 -7.880 -13.341 1.025 123 HB THR 11 HB THR 11 -8.253 -11.842 3.031 124 HG1 THR 11 HG1 THR 11 -6.591 -13.331 4.220 125 HG21 THR 11 HG21 THR 11 -10.059 -13.230 2.144 126 HG22 THR 11 HG22 THR 11 -10.152 -13.142 3.903 127 HG23 THR 11 HG23 THR 11 -9.510 -14.590 3.126 128 H SER 12 H SER 12 -6.810 -11.515 0.390 129 HA SER 12 HA SER 12 -4.016 -11.771 0.297 130 HB2 SER 12 HB2 SER 12 -5.670 -9.364 -0.466 131 HB3 SER 12 HB3 SER 12 -4.066 -9.778 -1.067 132 HG SER 12 HG SER 12 -5.023 -11.707 -1.941 133 H GLY 13 H GLY 13 -6.094 -9.810 2.325 134 HA2 GLY 13 HA2 GLY 13 -5.615 -8.411 4.090 135 HA3 GLY 13 HA3 GLY 13 -4.009 -9.136 4.126 136 H GLU 14 H GLU 14 -5.334 -7.646 1.302 137 HA GLU 14 HA GLU 14 -2.982 -6.181 0.807 138 HB2 GLU 14 HB2 GLU 14 -4.104 -5.398 -1.163 139 HB3 GLU 14 HB3 GLU 14 -4.585 -7.070 -0.911 140 HG2 GLU 14 HG2 GLU 14 -6.568 -5.937 0.382 141 HG3 GLU 14 HG3 GLU 14 -6.159 -4.578 -0.659 142 H SER 15 H SER 15 -2.514 -4.046 1.012 143 HA SER 15 HA SER 15 -4.425 -2.438 2.556 144 HB2 SER 15 HB2 SER 15 -2.459 -3.173 3.899 145 HB3 SER 15 HB3 SER 15 -1.407 -2.325 2.766 146 HG SER 15 HG SER 15 -1.731 -0.701 4.064 147 H LEU 16 H LEU 16 -1.467 -2.022 0.593 148 HA LEU 16 HA LEU 16 -1.912 0.626 -0.132 149 HB2 LEU 16 HB2 LEU 16 -0.446 -1.579 -1.555 150 HB3 LEU 16 HB3 LEU 16 -0.471 0.063 -2.147 151 HG LEU 16 HG LEU 16 1.583 -0.372 -1.009 152 HD11 LEU 16 HD11 LEU 16 -0.203 1.448 0.591 153 HD12 LEU 16 HD12 LEU 16 0.782 1.885 -0.809 154 HD13 LEU 16 HD13 LEU 16 1.557 1.411 0.702 155 HD21 LEU 16 HD21 LEU 16 1.718 -0.924 1.351 156 HD22 LEU 16 HD22 LEU 16 0.869 -2.179 0.449 157 HD23 LEU 16 HD23 LEU 16 -0.040 -1.031 1.432 158 H TYR 17 H TYR 17 -2.685 -2.324 -1.941 159 HA TYR 17 HA TYR 17 -4.050 -1.267 -4.089 160 HB2 TYR 17 HB2 TYR 17 -4.741 -3.743 -2.494 161 HB3 TYR 17 HB3 TYR 17 -5.437 -3.351 -4.058 162 HD1 TYR 17 HD2 TYR 17 -3.948 -3.307 -6.076 163 HD2 TYR 17 HD1 TYR 17 -2.634 -4.799 -2.318 164 HE1 TYR 17 HE2 TYR 17 -2.122 -4.507 -7.202 165 HE2 TYR 17 HE1 TYR 17 -0.805 -6.009 -3.430 166 HH TYR 17 HH TYR 17 -0.277 -6.911 -5.642 167 H HIS 18 H HIS 18 -5.168 -1.729 -0.789 168 HA HIS 18 HA HIS 18 -7.922 -1.310 -1.352 169 HB2 HIS 18 HB2 HIS 18 -6.840 -2.547 0.645 170 HB3 HIS 18 HB3 HIS 18 -6.692 -0.949 1.365 171 HD1 HIS 18 HD1 HIS 18 -8.742 -0.017 2.501 172 HD2 HIS 18 HD2 HIS 18 -9.571 -3.339 0.145 173 HE1 HIS 18 HE1 HIS 18 -11.124 -0.632 3.014 174 HE2 HIS 18 HE2 HIS 18 -11.520 -2.772 1.746 175 H VAL 19 H VAL 19 -5.276 0.810 -0.346 176 HA VAL 19 HA VAL 19 -6.933 3.014 0.346 177 HB VAL 19 HB VAL 19 -5.034 4.001 0.973 178 HG11 VAL 19 HG11 VAL 19 -2.872 2.746 0.795 179 HG12 VAL 19 HG12 VAL 19 -3.750 1.524 -0.123 180 HG13 VAL 19 HG13 VAL 19 -4.208 1.870 1.544 181 HG21 VAL 19 HG21 VAL 19 -4.206 3.696 -1.896 182 HG22 VAL 19 HG22 VAL 19 -3.127 4.406 -0.684 183 HG23 VAL 19 HG23 VAL 19 -4.694 5.162 -1.021 184 H LEU 20 H LEU 20 -5.509 1.849 -2.614 185 HA LEU 20 HA LEU 20 -6.168 4.234 -4.099 186 HB2 LEU 20 HB2 LEU 20 -4.758 1.681 -4.652 187 HB3 LEU 20 HB3 LEU 20 -5.393 2.578 -6.020 188 HG LEU 20 HG LEU 20 -3.368 3.553 -4.003 189 HD11 LEU 20 HD11 LEU 20 -3.127 2.914 -6.937 190 HD12 LEU 20 HD12 LEU 20 -2.438 1.988 -5.603 191 HD13 LEU 20 HD13 LEU 20 -1.861 3.624 -5.934 192 HD21 LEU 20 HD21 LEU 20 -3.209 5.513 -5.555 193 HD22 LEU 20 HD22 LEU 20 -4.685 5.426 -4.601 194 HD23 LEU 20 HD23 LEU 20 -4.710 4.960 -6.304 195 H GLY 21 H GLY 21 -7.772 1.460 -3.165 196 HA2 GLY 21 HA2 GLY 21 -9.981 0.910 -3.503 197 HA3 GLY 21 HA3 GLY 21 -10.105 2.254 -4.626 198 H LEU 22 H LEU 22 -7.535 0.219 -5.402 199 HA LEU 22 HA LEU 22 -9.172 -1.068 -7.470 200 HB2 LEU 22 HB2 LEU 22 -6.849 -1.524 -8.507 201 HB3 LEU 22 HB3 LEU 22 -7.538 0.076 -8.640 202 HG LEU 22 HG LEU 22 -6.122 0.631 -6.548 203 HD11 LEU 22 HD11 LEU 22 -4.060 -0.671 -6.367 204 HD12 LEU 22 HD12 LEU 22 -4.698 -1.833 -7.531 205 HD13 LEU 22 HD13 LEU 22 -5.481 -1.634 -5.963 206 HD21 LEU 22 HD21 LEU 22 -5.728 1.527 -8.778 207 HD22 LEU 22 HD22 LEU 22 -4.802 0.085 -9.198 208 HD23 LEU 22 HD23 LEU 22 -4.217 1.177 -7.941 209 H ASP 23 H ASP 23 -8.517 -3.260 -8.099 210 HA ASP 23 HA ASP 23 -8.290 -4.893 -5.739 211 HB2 ASP 23 HB2 ASP 23 -9.803 -5.358 -7.715 212 HB3 ASP 23 HB3 ASP 23 -8.374 -5.836 -8.596 213 H LYS 24 H LYS 24 -6.952 -6.995 -6.285 214 HA LYS 24 HA LYS 24 -4.208 -6.044 -6.123 215 HB2 LYS 24 HB2 LYS 24 -3.716 -8.269 -5.296 216 HB3 LYS 24 HB3 LYS 24 -5.134 -7.651 -4.466 217 HG2 LYS 24 HG2 LYS 24 -6.317 -8.930 -6.489 218 HG3 LYS 24 HG3 LYS 24 -4.856 -9.893 -6.350 219 HD2 LYS 24 HD2 LYS 24 -6.482 -10.926 -4.971 220 HD3 LYS 24 HD3 LYS 24 -5.357 -10.098 -3.892 221 HE2 LYS 24 HE2 LYS 24 -6.923 -8.200 -3.760 222 HE3 LYS 24 HE3 LYS 24 -8.050 -9.084 -4.788 223 HZ1 LYS 24 HZ1 LYS 24 -7.066 -10.187 -2.223 224 HZ2 LYS 24 HZ2 LYS 24 -8.422 -10.666 -3.118 225 HZ3 LYS 24 HZ3 LYS 24 -8.424 -9.183 -2.301 226 H ASN 25 H ASN 25 -6.118 -6.653 -8.544 227 HA ASN 25 HA ASN 25 -4.179 -8.162 -10.157 228 HB2 ASN 25 HB2 ASN 25 -7.184 -7.989 -10.287 229 HB3 ASN 25 HB3 ASN 25 -6.226 -8.588 -11.635 230 HD21 ASN 25 HD21 ASN 25 -7.266 -9.178 -8.351 231 HD22 ASN 25 HD22 ASN 25 -6.835 -10.859 -8.331 232 H ALA 26 H ALA 26 -4.734 -5.211 -9.441 233 HA ALA 26 HA ALA 26 -5.253 -3.916 -11.929 234 HB1 ALA 26 HB1 ALA 26 -3.952 -2.932 -9.393 235 HB2 ALA 26 HB2 ALA 26 -5.618 -2.664 -9.913 236 HB3 ALA 26 HB3 ALA 26 -4.279 -1.907 -10.793 237 H THR 27 H THR 27 -3.707 -2.666 -13.130 238 HA THR 27 HA THR 27 -1.019 -3.882 -13.096 239 HB THR 27 HB THR 27 -2.287 -4.323 -15.183 240 HG1 THR 27 HG1 THR 27 -0.372 -4.238 -16.055 241 HG21 THR 27 HG21 THR 27 -3.665 -2.308 -15.216 242 HG22 THR 27 HG22 THR 27 -2.771 -2.484 -16.726 243 HG23 THR 27 HG23 THR 27 -2.231 -1.325 -15.511 244 H SER 28 H SER 28 0.595 -2.209 -14.229 245 HA SER 28 HA SER 28 1.029 -0.174 -12.410 246 HB2 SER 28 HB2 SER 28 2.628 -1.153 -14.165 247 HB3 SER 28 HB3 SER 28 1.916 0.004 -15.286 248 HG SER 28 HG SER 28 3.483 0.459 -12.987 249 H ASP 29 H ASP 29 -0.745 -0.140 -15.413 250 HA ASP 29 HA ASP 29 -1.211 2.604 -15.669 251 HB2 ASP 29 HB2 ASP 29 -2.905 0.263 -16.552 252 HB3 ASP 29 HB3 ASP 29 -3.195 1.928 -17.037 253 H ASP 30 H ASP 30 -3.091 0.103 -13.924 254 HA ASP 30 HA ASP 30 -5.276 1.854 -13.373 255 HB2 ASP 30 HB2 ASP 30 -4.413 -0.755 -12.128 256 HB3 ASP 30 HB3 ASP 30 -5.923 0.058 -11.735 257 H ILE 31 H ILE 31 -2.388 0.821 -11.715 258 HA ILE 31 HA ILE 31 -2.993 1.857 -9.168 259 HB ILE 31 HB ILE 31 -0.349 1.185 -10.458 260 HG12 ILE 31 HG12 ILE 31 -1.738 -0.464 -8.387 261 HG13 ILE 31 HG13 ILE 31 -2.331 -0.517 -10.043 262 HG21 ILE 31 HG21 ILE 31 0.002 2.676 -8.566 263 HG22 ILE 31 HG22 ILE 31 0.533 1.041 -8.170 264 HG23 ILE 31 HG23 ILE 31 -1.002 1.644 -7.547 265 HD11 ILE 31 HD11 ILE 31 0.473 -1.153 -9.169 266 HD12 ILE 31 HD12 ILE 31 -0.157 -1.241 -10.816 267 HD13 ILE 31 HD13 ILE 31 -0.784 -2.325 -9.572 268 H LYS 32 H LYS 32 -1.148 3.191 -11.895 269 HA LYS 32 HA LYS 32 -0.317 5.524 -10.524 270 HB2 LYS 32 HB2 LYS 32 -0.537 4.955 -13.474 271 HB3 LYS 32 HB3 LYS 32 0.184 6.408 -12.802 272 HG2 LYS 32 HG2 LYS 32 1.916 5.125 -11.750 273 HG3 LYS 32 HG3 LYS 32 1.145 3.615 -12.245 274 HD2 LYS 32 HD2 LYS 32 1.456 4.263 -14.604 275 HD3 LYS 32 HD3 LYS 32 2.300 5.719 -14.073 276 HE2 LYS 32 HE2 LYS 32 3.153 2.928 -13.350 277 HE3 LYS 32 HE3 LYS 32 3.773 3.803 -14.749 278 HZ1 LYS 32 HZ1 LYS 32 5.198 3.941 -12.746 279 HZ2 LYS 32 HZ2 LYS 32 3.970 4.795 -11.961 280 HZ3 LYS 32 HZ3 LYS 32 4.711 5.449 -13.330 281 H LYS 33 H LYS 33 -2.975 4.965 -12.834 282 HA LYS 33 HA LYS 33 -3.922 7.605 -12.827 283 HB2 LYS 33 HB2 LYS 33 -5.481 5.060 -13.296 284 HB3 LYS 33 HB3 LYS 33 -5.977 6.678 -13.776 285 HG2 LYS 33 HG2 LYS 33 -3.925 6.799 -15.189 286 HG3 LYS 33 HG3 LYS 33 -3.636 5.105 -14.815 287 HD2 LYS 33 HD2 LYS 33 -6.158 6.146 -16.097 288 HD3 LYS 33 HD3 LYS 33 -4.793 5.472 -16.991 289 HE2 LYS 33 HE2 LYS 33 -5.065 3.347 -15.865 290 HE3 LYS 33 HE3 LYS 33 -6.353 4.011 -14.864 291 HZ1 LYS 33 HZ1 LYS 33 -6.443 3.688 -17.814 292 HZ2 LYS 33 HZ2 LYS 33 -7.678 4.339 -16.859 293 HZ3 LYS 33 HZ3 LYS 33 -7.241 2.715 -16.683 294 H SER 34 H SER 34 -4.833 4.814 -10.803 295 HA SER 34 HA SER 34 -6.862 6.154 -9.375 296 HB2 SER 34 HB2 SER 34 -5.157 3.836 -8.470 297 HB3 SER 34 HB3 SER 34 -6.670 4.366 -7.727 298 HG SER 34 HG SER 34 -6.232 3.063 -10.165 299 H TYR 35 H TYR 35 -3.386 6.042 -8.985 300 HA TYR 35 HA TYR 35 -3.175 7.278 -6.507 301 HB2 TYR 35 HB2 TYR 35 -1.138 6.579 -7.486 302 HB3 TYR 35 HB3 TYR 35 -1.450 7.459 -8.982 303 HD1 TYR 35 HD1 TYR 35 -1.072 8.174 -5.319 304 HD2 TYR 35 HD2 TYR 35 -0.260 9.421 -9.305 305 HE1 TYR 35 HE1 TYR 35 0.247 10.063 -4.460 306 HE2 TYR 35 HE2 TYR 35 1.058 11.299 -8.459 307 HH TYR 35 HH TYR 35 1.224 12.657 -6.409 308 H ARG 36 H ARG 36 -3.377 8.781 -9.715 309 HA ARG 36 HA ARG 36 -3.396 11.440 -8.852 310 HB2 ARG 36 HB2 ARG 36 -4.744 10.274 -11.296 311 HB3 ARG 36 HB3 ARG 36 -4.314 11.964 -11.059 312 HG2 ARG 36 HG2 ARG 36 -2.356 9.681 -11.184 313 HG3 ARG 36 HG3 ARG 36 -2.739 10.772 -12.516 314 HD2 ARG 36 HD2 ARG 36 -1.921 12.663 -11.224 315 HD3 ARG 36 HD3 ARG 36 -1.597 11.604 -9.852 316 HE ARG 36 HE ARG 36 -0.220 10.632 -12.093 317 HH11 ARG 36 HH11 ARG 36 -0.166 13.346 -9.878 318 HH12 ARG 36 HH12 ARG 36 1.542 13.610 -10.046 319 HH21 ARG 36 HH21 ARG 36 2.034 10.964 -12.300 320 HH22 ARG 36 HH22 ARG 36 2.791 12.254 -11.421 321 H LYS 37 H LYS 37 -6.106 9.341 -9.702 322 HA LYS 37 HA LYS 37 -8.252 10.986 -9.382 323 HB2 LYS 37 HB2 LYS 37 -7.929 8.073 -8.672 324 HB3 LYS 37 HB3 LYS 37 -9.487 8.885 -8.658 325 HG2 LYS 37 HG2 LYS 37 -9.566 9.071 -10.943 326 HG3 LYS 37 HG3 LYS 37 -7.811 9.031 -11.108 327 HD2 LYS 37 HD2 LYS 37 -9.172 6.979 -11.879 328 HD3 LYS 37 HD3 LYS 37 -7.718 6.711 -10.923 329 HE2 LYS 37 HE2 LYS 37 -9.087 6.448 -8.913 330 HE3 LYS 37 HE3 LYS 37 -10.546 6.743 -9.862 331 HZ1 LYS 37 HZ1 LYS 37 -8.675 4.449 -10.151 332 HZ2 LYS 37 HZ2 LYS 37 -9.989 4.747 -11.174 333 HZ3 LYS 37 HZ3 LYS 37 -10.254 4.400 -9.541 334 H LEU 38 H LEU 38 -6.521 9.278 -6.827 335 HA LEU 38 HA LEU 38 -8.311 10.353 -4.784 336 HB2 LEU 38 HB2 LEU 38 -5.955 8.481 -4.696 337 HB3 LEU 38 HB3 LEU 38 -6.879 8.973 -3.286 338 HG LEU 38 HG LEU 38 -8.127 7.602 -5.659 339 HD11 LEU 38 HD11 LEU 38 -6.437 6.147 -4.755 340 HD12 LEU 38 HD12 LEU 38 -8.039 5.550 -4.326 341 HD13 LEU 38 HD13 LEU 38 -7.058 6.389 -3.123 342 HD21 LEU 38 HD21 LEU 38 -9.038 8.043 -2.819 343 HD22 LEU 38 HD22 LEU 38 -9.892 7.077 -4.021 344 HD23 LEU 38 HD23 LEU 38 -9.689 8.810 -4.267 345 H ALA 39 H ALA 39 -5.057 10.764 -5.981 346 HA ALA 39 HA ALA 39 -3.773 11.982 -3.871 347 HB1 ALA 39 HB1 ALA 39 -2.674 11.250 -5.932 348 HB2 ALA 39 HB2 ALA 39 -2.218 12.891 -5.473 349 HB3 ALA 39 HB3 ALA 39 -3.375 12.628 -6.779 350 H LEU 40 H LEU 40 -5.537 13.700 -6.484 351 HA LEU 40 HA LEU 40 -5.105 16.202 -5.139 352 HB2 LEU 40 HB2 LEU 40 -7.010 16.976 -6.794 353 HB3 LEU 40 HB3 LEU 40 -5.353 16.790 -7.301 354 HG LEU 40 HG LEU 40 -7.138 15.978 -8.879 355 HD11 LEU 40 HD11 LEU 40 -4.910 15.377 -9.294 356 HD12 LEU 40 HD12 LEU 40 -5.858 13.892 -9.440 357 HD13 LEU 40 HD13 LEU 40 -4.912 14.198 -7.985 358 HD21 LEU 40 HD21 LEU 40 -8.161 13.865 -8.581 359 HD22 LEU 40 HD22 LEU 40 -8.531 14.836 -7.156 360 HD23 LEU 40 HD23 LEU 40 -7.288 13.586 -7.078 361 H LYS 41 H LYS 41 -7.662 13.901 -5.394 362 HA LYS 41 HA LYS 41 -9.736 15.161 -4.069 363 HB2 LYS 41 HB2 LYS 41 -10.045 13.054 -5.140 364 HB3 LYS 41 HB3 LYS 41 -8.806 12.296 -4.158 365 HG2 LYS 41 HG2 LYS 41 -10.337 12.708 -2.175 366 HG3 LYS 41 HG3 LYS 41 -11.587 13.085 -3.369 367 HD2 LYS 41 HD2 LYS 41 -11.250 10.909 -4.418 368 HD3 LYS 41 HD3 LYS 41 -9.990 10.534 -3.245 369 HE2 LYS 41 HE2 LYS 41 -11.941 9.433 -2.536 370 HE3 LYS 41 HE3 LYS 41 -11.710 10.803 -1.451 371 HZ1 LYS 41 HZ1 LYS 41 -13.609 10.670 -3.733 372 HZ2 LYS 41 HZ2 LYS 41 -13.356 12.035 -2.769 373 HZ3 LYS 41 HZ3 LYS 41 -14.013 10.633 -2.090 374 H TYR 42 H TYR 42 -6.909 13.510 -2.743 375 HA TYR 42 HA TYR 42 -7.614 14.604 -0.105 376 HB2 TYR 42 HB2 TYR 42 -6.131 12.126 -0.921 377 HB3 TYR 42 HB3 TYR 42 -5.863 12.847 0.666 378 HD1 TYR 42 HD2 TYR 42 -7.917 13.243 2.119 379 HD2 TYR 42 HD1 TYR 42 -7.943 10.643 -1.237 380 HE1 TYR 42 HE2 TYR 42 -9.879 12.096 3.039 381 HE2 TYR 42 HE1 TYR 42 -9.916 9.496 -0.340 382 HH TYR 42 HH TYR 42 -10.986 9.123 1.857 383 H HIS 43 H HIS 43 -6.274 16.082 -2.270 384 HA HIS 43 HA HIS 43 -3.512 16.311 -1.684 385 HB2 HIS 43 HB2 HIS 43 -5.136 17.278 -3.643 386 HB3 HIS 43 HB3 HIS 43 -4.943 18.715 -2.650 387 HD1 HIS 43 HD1 HIS 43 -3.029 20.122 -3.324 388 HD2 HIS 43 HD2 HIS 43 -2.403 16.118 -4.254 389 HE1 HIS 43 HE1 HIS 43 -0.797 20.038 -4.471 390 HE2 HIS 43 HE2 HIS 43 -0.532 17.635 -5.197 391 HA PRO 44 HA PRO 44 -3.065 18.124 2.232 392 HB2 PRO 44 HB2 PRO 44 -2.059 20.670 1.364 393 HB3 PRO 44 HB3 PRO 44 -1.180 19.323 2.076 394 HG2 PRO 44 HG2 PRO 44 -1.512 20.074 -0.746 395 HG3 PRO 44 HG3 PRO 44 -0.239 19.103 0.020 396 HD2 PRO 44 HD2 PRO 44 -2.098 17.996 -1.555 397 HD3 PRO 44 HD3 PRO 44 -1.490 17.145 -0.122 398 H ASP 45 H ASP 45 -4.459 20.454 -0.085 399 HA ASP 45 HA ASP 45 -5.548 22.080 2.007 400 HB2 ASP 45 HB2 ASP 45 -4.856 23.058 -0.132 401 HB3 ASP 45 HB3 ASP 45 -6.077 22.110 -0.970 402 H LYS 46 H LYS 46 -6.597 19.313 0.335 403 HA LYS 46 HA LYS 46 -9.437 19.687 0.646 404 HB2 LYS 46 HB2 LYS 46 -8.009 17.054 0.356 405 HB3 LYS 46 HB3 LYS 46 -9.600 17.492 -0.218 406 HG2 LYS 46 HG2 LYS 46 -7.225 18.900 -1.307 407 HG3 LYS 46 HG3 LYS 46 -7.592 17.276 -1.849 408 HD2 LYS 46 HD2 LYS 46 -9.585 19.519 -1.942 409 HD3 LYS 46 HD3 LYS 46 -8.466 19.137 -3.252 410 HE2 LYS 46 HE2 LYS 46 -9.529 17.232 -3.826 411 HE3 LYS 46 HE3 LYS 46 -10.101 16.913 -2.198 412 HZ1 LYS 46 HZ1 LYS 46 -11.923 17.491 -3.655 413 HZ2 LYS 46 HZ2 LYS 46 -11.182 18.951 -4.069 414 HZ3 LYS 46 HZ3 LYS 46 -11.729 18.700 -2.491 415 H ASN 47 H ASN 47 -7.180 19.474 2.916 416 HA ASN 47 HA ASN 47 -8.368 17.262 4.442 417 HB2 ASN 47 HB2 ASN 47 -5.626 18.489 4.744 418 HB3 ASN 47 HB3 ASN 47 -6.239 17.107 5.625 419 HD21 ASN 47 HD21 ASN 47 -6.543 17.800 2.169 420 HD22 ASN 47 HD22 ASN 47 -5.698 16.386 1.662 421 HA PRO 48 HA PRO 48 -9.524 20.356 7.495 422 HB2 PRO 48 HB2 PRO 48 -10.343 18.019 9.047 423 HB3 PRO 48 HB3 PRO 48 -11.325 19.357 8.451 424 HG2 PRO 48 HG2 PRO 48 -11.522 16.859 7.441 425 HG3 PRO 48 HG3 PRO 48 -11.768 18.305 6.445 426 HD2 PRO 48 HD2 PRO 48 -9.350 16.541 6.657 427 HD3 PRO 48 HD3 PRO 48 -10.098 17.266 5.217 428 H ASP 49 H ASP 49 -9.519 19.539 10.137 429 HA ASP 49 HA ASP 49 -6.842 20.045 10.811 430 HB2 ASP 49 HB2 ASP 49 -7.620 20.058 13.038 431 HB3 ASP 49 HB3 ASP 49 -8.964 20.635 12.056 432 H ASN 50 H ASN 50 -8.802 17.124 10.900 433 HA ASN 50 HA ASN 50 -6.953 15.423 12.108 434 HB2 ASN 50 HB2 ASN 50 -8.335 13.636 10.975 435 HB3 ASN 50 HB3 ASN 50 -9.216 14.728 12.016 436 HD21 ASN 50 HD21 ASN 50 -8.766 13.558 8.836 437 HD22 ASN 50 HD22 ASN 50 -10.062 14.415 8.095 438 HA PRO 51 HA PRO 51 -4.085 15.022 8.710 439 HB2 PRO 51 HB2 PRO 51 -2.282 13.489 9.978 440 HB3 PRO 51 HB3 PRO 51 -2.483 15.203 10.366 441 HG2 PRO 51 HG2 PRO 51 -3.505 12.799 11.815 442 HG3 PRO 51 HG3 PRO 51 -2.818 14.292 12.471 443 HD2 PRO 51 HD2 PRO 51 -5.513 13.755 12.320 444 HD3 PRO 51 HD3 PRO 51 -4.821 15.387 12.377 445 H GLU 52 H GLU 52 -6.342 12.964 9.557 446 HA GLU 52 HA GLU 52 -5.526 10.377 8.821 447 HB2 GLU 52 HB2 GLU 52 -7.665 10.938 9.947 448 HB3 GLU 52 HB3 GLU 52 -8.195 11.763 8.483 449 HG2 GLU 52 HG2 GLU 52 -8.021 9.605 7.286 450 HG3 GLU 52 HG3 GLU 52 -7.695 8.819 8.830 451 H ALA 53 H ALA 53 -6.927 13.036 7.030 452 HA ALA 53 HA ALA 53 -7.043 11.764 4.516 453 HB1 ALA 53 HB1 ALA 53 -7.007 14.677 5.265 454 HB2 ALA 53 HB2 ALA 53 -8.429 13.644 5.143 455 HB3 ALA 53 HB3 ALA 53 -7.488 14.027 3.697 456 H ALA 54 H ALA 54 -4.584 13.544 6.227 457 HA ALA 54 HA ALA 54 -2.768 13.836 4.045 458 HB1 ALA 54 HB1 ALA 54 -2.265 13.827 7.023 459 HB2 ALA 54 HB2 ALA 54 -2.612 15.246 6.033 460 HB3 ALA 54 HB3 ALA 54 -1.114 14.345 5.789 461 H ASP 55 H ASP 55 -3.217 11.535 6.663 462 HA ASP 55 HA ASP 55 -1.160 9.737 6.054 463 HB2 ASP 55 HB2 ASP 55 -3.780 9.566 7.470 464 HB3 ASP 55 HB3 ASP 55 -2.938 8.071 7.098 465 H LYS 56 H LYS 56 -4.410 10.111 4.836 466 HA LYS 56 HA LYS 56 -4.516 7.888 3.145 467 HB2 LYS 56 HB2 LYS 56 -6.520 9.058 3.501 468 HB3 LYS 56 HB3 LYS 56 -5.794 10.588 3.060 469 HG2 LYS 56 HG2 LYS 56 -7.319 9.685 1.341 470 HG3 LYS 56 HG3 LYS 56 -5.683 9.956 0.761 471 HD2 LYS 56 HD2 LYS 56 -6.183 7.887 -0.143 472 HD3 LYS 56 HD3 LYS 56 -5.348 7.440 1.346 473 HE2 LYS 56 HE2 LYS 56 -7.516 7.214 2.449 474 HE3 LYS 56 HE3 LYS 56 -8.310 7.584 0.913 475 HZ1 LYS 56 HZ1 LYS 56 -7.274 5.594 -0.020 476 HZ2 LYS 56 HZ2 LYS 56 -8.241 5.209 1.312 477 HZ3 LYS 56 HZ3 LYS 56 -6.554 5.248 1.479 478 H PHE 57 H PHE 57 -3.741 11.260 2.270 479 HA PHE 57 HA PHE 57 -2.882 10.790 -0.305 480 HB2 PHE 57 HB2 PHE 57 -3.142 13.050 0.701 481 HB3 PHE 57 HB3 PHE 57 -1.638 12.793 1.586 482 HD1 PHE 57 HD1 PHE 57 -1.977 11.555 -1.842 483 HD2 PHE 57 HD2 PHE 57 -0.648 14.780 0.600 484 HE1 PHE 57 HE1 PHE 57 -0.733 12.471 -3.742 485 HE2 PHE 57 HE2 PHE 57 0.611 15.698 -1.303 486 HZ PHE 57 HZ PHE 57 0.571 14.545 -3.477 487 H LYS 58 H LYS 58 -1.188 10.328 2.670 488 HA LYS 58 HA LYS 58 1.379 9.756 1.711 489 HB2 LYS 58 HB2 LYS 58 0.543 10.183 4.063 490 HB3 LYS 58 HB3 LYS 58 0.037 8.505 4.096 491 HG2 LYS 58 HG2 LYS 58 2.344 7.798 3.771 492 HG3 LYS 58 HG3 LYS 58 2.856 9.490 3.724 493 HD2 LYS 58 HD2 LYS 58 1.593 8.014 6.040 494 HD3 LYS 58 HD3 LYS 58 3.238 8.647 5.949 495 HE2 LYS 58 HE2 LYS 58 2.443 10.905 5.963 496 HE3 LYS 58 HE3 LYS 58 0.769 10.378 5.790 497 HZ1 LYS 58 HZ1 LYS 58 0.786 9.482 7.975 498 HZ2 LYS 58 HZ2 LYS 58 1.413 11.055 8.074 499 HZ3 LYS 58 HZ3 LYS 58 2.456 9.725 8.141 500 H GLU 59 H GLU 59 -1.346 7.561 2.467 501 HA GLU 59 HA GLU 59 0.044 5.237 1.601 502 HB2 GLU 59 HB2 GLU 59 -2.254 4.177 1.698 503 HB3 GLU 59 HB3 GLU 59 -1.590 4.806 3.190 504 HG2 GLU 59 HG2 GLU 59 -2.947 6.792 2.967 505 HG3 GLU 59 HG3 GLU 59 -3.608 6.193 1.450 506 H ILE 60 H ILE 60 -2.220 7.432 -0.026 507 HA ILE 60 HA ILE 60 -2.577 5.938 -2.401 508 HB ILE 60 HB ILE 60 -2.178 8.923 -2.438 509 HG12 ILE 60 HG12 ILE 60 -4.802 7.579 -1.818 510 HG13 ILE 60 HG13 ILE 60 -3.759 8.284 -0.585 511 HG21 ILE 60 HG21 ILE 60 -2.502 7.478 -4.515 512 HG22 ILE 60 HG22 ILE 60 -3.491 8.925 -4.350 513 HG23 ILE 60 HG23 ILE 60 -4.178 7.340 -3.994 514 HD11 ILE 60 HD11 ILE 60 -5.489 9.846 -1.180 515 HD12 ILE 60 HD12 ILE 60 -5.048 9.736 -2.884 516 HD13 ILE 60 HD13 ILE 60 -3.930 10.456 -1.730 517 H ASN 61 H ASN 61 -0.250 8.398 -1.497 518 HA ASN 61 HA ASN 61 1.191 8.397 -3.910 519 HB2 ASN 61 HB2 ASN 61 0.994 10.216 -2.139 520 HB3 ASN 61 HB3 ASN 61 2.188 9.305 -1.207 521 HD21 ASN 61 HD21 ASN 61 3.588 11.051 -1.323 522 HD22 ASN 61 HD22 ASN 61 4.484 11.411 -2.757 523 H ASN 62 H ASN 62 1.370 6.454 -1.039 524 HA ASN 62 HA ASN 62 3.956 5.361 -1.673 525 HB2 ASN 62 HB2 ASN 62 2.852 5.466 0.668 526 HB3 ASN 62 HB3 ASN 62 1.986 4.022 0.149 527 HD21 ASN 62 HD21 ASN 62 2.974 2.610 1.530 528 HD22 ASN 62 HD22 ASN 62 4.650 2.208 1.458 529 H ALA 63 H ALA 63 0.646 4.053 -1.659 530 HA ALA 63 HA ALA 63 1.110 1.616 -2.861 531 HB1 ALA 63 HB1 ALA 63 -1.291 3.400 -3.239 532 HB2 ALA 63 HB2 ALA 63 -1.036 2.264 -1.911 533 HB3 ALA 63 HB3 ALA 63 -1.229 1.667 -3.559 534 H HIS 64 H HIS 64 0.771 4.760 -4.369 535 HA HIS 64 HA HIS 64 0.600 4.219 -7.039 536 HB2 HIS 64 HB2 HIS 64 0.644 6.475 -6.277 537 HB3 HIS 64 HB3 HIS 64 2.241 6.281 -5.568 538 HD1 HIS 64 HD1 HIS 64 4.160 7.039 -6.966 539 HD2 HIS 64 HD2 HIS 64 0.723 6.419 -9.221 540 HE1 HIS 64 HE1 HIS 64 4.709 7.859 -9.276 541 HE2 HIS 64 HE2 HIS 64 2.603 7.521 -10.615 542 H ALA 65 H ALA 65 3.483 3.988 -5.011 543 HA ALA 65 HA ALA 65 5.079 3.102 -7.279 544 HB1 ALA 65 HB1 ALA 65 6.953 3.132 -5.702 545 HB2 ALA 65 HB2 ALA 65 5.842 3.531 -4.391 546 HB3 ALA 65 HB3 ALA 65 6.094 4.671 -5.713 547 H ILE 66 H ILE 66 3.999 1.920 -4.124 548 HA ILE 66 HA ILE 66 5.360 -0.407 -3.884 549 HB ILE 66 HB ILE 66 2.444 -0.262 -3.164 550 HG12 ILE 66 HG12 ILE 66 3.385 1.771 -2.314 551 HG13 ILE 66 HG13 ILE 66 3.235 0.655 -0.964 552 HG21 ILE 66 HG21 ILE 66 3.127 -1.716 -1.306 553 HG22 ILE 66 HG22 ILE 66 4.777 -1.719 -1.928 554 HG23 ILE 66 HG23 ILE 66 3.477 -2.435 -2.878 555 HD11 ILE 66 HD11 ILE 66 5.614 0.148 -1.132 556 HD12 ILE 66 HD12 ILE 66 5.312 1.864 -0.855 557 HD13 ILE 66 HD13 ILE 66 5.752 1.295 -2.466 558 H LEU 67 H LEU 67 2.166 -0.179 -5.484 559 HA LEU 67 HA LEU 67 2.027 -2.995 -5.816 560 HB2 LEU 67 HB2 LEU 67 0.420 -0.777 -7.057 561 HB3 LEU 67 HB3 LEU 67 0.093 -2.472 -7.341 562 HG LEU 67 HG LEU 67 -1.266 -2.448 -5.590 563 HD11 LEU 67 HD11 LEU 67 1.134 -1.705 -3.932 564 HD12 LEU 67 HD12 LEU 67 0.638 -3.342 -4.367 565 HD13 LEU 67 HD13 LEU 67 -0.387 -2.358 -3.326 566 HD21 LEU 67 HD21 LEU 67 -0.173 0.268 -4.898 567 HD22 LEU 67 HD22 LEU 67 -1.650 -0.454 -4.256 568 HD23 LEU 67 HD23 LEU 67 -1.533 -0.061 -5.973 569 H THR 68 H THR 68 3.366 -0.469 -7.773 570 HA THR 68 HA THR 68 3.648 -2.353 -10.005 571 HB THR 68 HB THR 68 2.610 -0.225 -10.614 572 HG1 THR 68 HG1 THR 68 5.105 -0.980 -11.639 573 HG21 THR 68 HG21 THR 68 3.890 1.859 -10.543 574 HG22 THR 68 HG22 THR 68 5.195 1.025 -9.701 575 HG23 THR 68 HG23 THR 68 3.622 1.207 -8.927 576 H ASP 69 H ASP 69 5.270 -1.592 -7.342 577 HA ASP 69 HA ASP 69 7.923 -1.636 -8.608 578 HB2 ASP 69 HB2 ASP 69 7.446 0.135 -6.891 579 HB3 ASP 69 HB3 ASP 69 7.207 -1.155 -5.705 580 H ALA 70 H ALA 70 8.992 -3.496 -8.640 581 HA ALA 70 HA ALA 70 7.752 -5.885 -7.854 582 HB1 ALA 70 HB1 ALA 70 10.628 -5.400 -8.599 583 HB2 ALA 70 HB2 ALA 70 9.316 -5.831 -9.697 584 HB3 ALA 70 HB3 ALA 70 9.859 -6.980 -8.470 585 H THR 71 H THR 71 10.168 -3.887 -6.247 586 HA THR 71 HA THR 71 10.761 -5.944 -4.298 587 HB THR 71 HB THR 71 11.595 -3.040 -4.365 588 HG1 THR 71 HG1 THR 71 12.834 -3.814 -5.907 589 HG21 THR 71 HG21 THR 71 13.265 -3.726 -2.708 590 HG22 THR 71 HG22 THR 71 12.582 -5.353 -2.696 591 HG23 THR 71 HG23 THR 71 11.621 -3.991 -2.117 592 H LYS 72 H LYS 72 9.140 -2.749 -4.254 593 HA LYS 72 HA LYS 72 8.510 -2.849 -1.505 594 HB2 LYS 72 HB2 LYS 72 7.879 -1.111 -3.741 595 HB3 LYS 72 HB3 LYS 72 6.497 -1.343 -2.688 596 HG2 LYS 72 HG2 LYS 72 7.451 0.477 -1.707 597 HG3 LYS 72 HG3 LYS 72 8.199 -0.821 -0.784 598 HD2 LYS 72 HD2 LYS 72 9.830 0.848 -1.386 599 HD3 LYS 72 HD3 LYS 72 10.182 -0.667 -2.224 600 HE2 LYS 72 HE2 LYS 72 9.138 0.202 -4.241 601 HE3 LYS 72 HE3 LYS 72 8.738 1.701 -3.407 602 HZ1 LYS 72 HZ1 LYS 72 11.142 2.067 -3.111 603 HZ2 LYS 72 HZ2 LYS 72 10.697 1.996 -4.740 604 HZ3 LYS 72 HZ3 LYS 72 11.455 0.666 -4.016 605 H ARG 73 H ARG 73 7.014 -4.203 -4.307 606 HA ARG 73 HA ARG 73 4.589 -4.919 -2.888 607 HB2 ARG 73 HB2 ARG 73 4.411 -4.453 -5.258 608 HB3 ARG 73 HB3 ARG 73 5.634 -5.661 -5.625 609 HG2 ARG 73 HG2 ARG 73 4.143 -7.399 -4.784 610 HG3 ARG 73 HG3 ARG 73 2.893 -6.181 -4.502 611 HD2 ARG 73 HD2 ARG 73 2.415 -7.210 -6.601 612 HD3 ARG 73 HD3 ARG 73 3.049 -5.598 -6.939 613 HE ARG 73 HE ARG 73 4.724 -8.021 -7.096 614 HH11 ARG 73 HH11 ARG 73 3.570 -5.006 -8.487 615 HH12 ARG 73 HH12 ARG 73 4.649 -5.095 -9.844 616 HH21 ARG 73 HH21 ARG 73 6.127 -8.113 -8.883 617 HH22 ARG 73 HH22 ARG 73 6.089 -6.850 -10.074 618 H ASN 74 H ASN 74 7.596 -6.303 -3.844 619 HA ASN 74 HA ASN 74 7.255 -8.969 -3.246 620 HB2 ASN 74 HB2 ASN 74 9.271 -8.056 -4.298 621 HB3 ASN 74 HB3 ASN 74 9.700 -7.259 -2.789 622 HD21 ASN 74 HD21 ASN 74 10.431 -8.481 -1.071 623 HD22 ASN 74 HD22 ASN 74 11.071 -10.063 -1.299 624 H ILE 75 H ILE 75 8.720 -6.582 -0.965 625 HA ILE 75 HA ILE 75 8.549 -8.462 1.172 626 HB ILE 75 HB ILE 75 9.356 -6.859 2.672 627 HG12 ILE 75 HG12 ILE 75 7.757 -5.045 2.204 628 HG13 ILE 75 HG13 ILE 75 9.411 -4.455 2.305 629 HG21 ILE 75 HG21 ILE 75 10.522 -6.184 -0.008 630 HG22 ILE 75 HG22 ILE 75 10.963 -7.556 1.011 631 HG23 ILE 75 HG23 ILE 75 11.282 -5.912 1.560 632 HD11 ILE 75 HD11 ILE 75 9.528 -4.337 -0.116 633 HD12 ILE 75 HD12 ILE 75 8.165 -3.400 0.503 634 HD13 ILE 75 HD13 ILE 75 7.888 -4.984 -0.232 635 H TYR 76 H TYR 76 6.409 -6.005 -0.023 636 HA TYR 76 HA TYR 76 4.623 -5.726 2.067 637 HB2 TYR 76 HB2 TYR 76 4.037 -4.361 0.324 638 HB3 TYR 76 HB3 TYR 76 4.499 -5.542 -0.891 639 HD1 TYR 76 HD1 TYR 76 2.923 -7.319 -1.549 640 HD2 TYR 76 HD2 TYR 76 1.773 -4.187 1.093 641 HE1 TYR 76 HE1 TYR 76 0.563 -7.844 -1.967 642 HE2 TYR 76 HE2 TYR 76 -0.596 -4.710 0.684 643 HH TYR 76 HH TYR 76 -1.605 -7.559 -0.837 644 H ASP 77 H ASP 77 4.960 -8.279 -0.306 645 HA ASP 77 HA ASP 77 2.701 -9.766 0.717 646 HB2 ASP 77 HB2 ASP 77 3.179 -9.879 -1.663 647 HB3 ASP 77 HB3 ASP 77 4.805 -10.477 -1.337 648 H LYS 78 H LYS 78 6.181 -9.749 1.071 649 HA LYS 78 HA LYS 78 6.400 -12.324 2.253 650 HB2 LYS 78 HB2 LYS 78 8.267 -10.002 2.692 651 HB3 LYS 78 HB3 LYS 78 8.627 -11.706 2.907 652 HG2 LYS 78 HG2 LYS 78 8.024 -10.354 0.299 653 HG3 LYS 78 HG3 LYS 78 9.624 -10.798 0.877 654 HD2 LYS 78 HD2 LYS 78 9.238 -12.608 -0.427 655 HD3 LYS 78 HD3 LYS 78 8.414 -13.187 1.024 656 HE2 LYS 78 HE2 LYS 78 6.287 -12.381 0.151 657 HE3 LYS 78 HE3 LYS 78 7.103 -11.736 -1.272 658 HZ1 LYS 78 HZ1 LYS 78 6.007 -13.883 -1.667 659 HZ2 LYS 78 HZ2 LYS 78 7.028 -14.612 -0.535 660 HZ3 LYS 78 HZ3 LYS 78 7.673 -13.948 -1.950 661 H TYR 79 H TYR 79 6.735 -9.104 3.726 662 HA TYR 79 HA TYR 79 5.366 -10.105 6.117 663 HB2 TYR 79 HB2 TYR 79 7.895 -8.449 6.146 664 HB3 TYR 79 HB3 TYR 79 6.944 -8.877 7.562 665 HD1 TYR 79 HD2 TYR 79 6.668 -11.389 8.066 666 HD2 TYR 79 HD1 TYR 79 9.607 -9.843 5.411 667 HE1 TYR 79 HE2 TYR 79 7.965 -13.463 8.303 668 HE2 TYR 79 HE1 TYR 79 10.911 -11.914 5.638 669 HH TYR 79 HH TYR 79 11.161 -13.750 7.336 670 H GLY 80 H GLY 80 6.749 -7.145 4.660 671 HA2 GLY 80 HA2 GLY 80 5.583 -5.287 3.905 672 HA3 GLY 80 HA3 GLY 80 4.095 -5.991 4.527 673 H SER 81 H SER 81 6.302 -6.081 6.984 674 HA SER 81 HA SER 81 4.991 -3.829 8.262 675 HB2 SER 81 HB2 SER 81 6.268 -4.771 10.289 676 HB3 SER 81 HB3 SER 81 4.997 -5.776 9.593 677 HG SER 81 HG SER 81 7.225 -6.708 10.049 678 H LEU 82 H LEU 82 8.341 -5.004 8.382 679 HA LEU 82 HA LEU 82 9.292 -2.336 8.931 680 HB2 LEU 82 HB2 LEU 82 10.350 -4.000 10.187 681 HB3 LEU 82 HB3 LEU 82 10.545 -5.053 8.802 682 HG LEU 82 HG LEU 82 12.298 -3.582 7.917 683 HD11 LEU 82 HD11 LEU 82 11.959 -2.020 10.471 684 HD12 LEU 82 HD12 LEU 82 11.517 -1.461 8.858 685 HD13 LEU 82 HD13 LEU 82 13.208 -1.769 9.251 686 HD21 LEU 82 HD21 LEU 82 13.993 -4.102 9.588 687 HD22 LEU 82 HD22 LEU 82 12.884 -5.451 9.362 688 HD23 LEU 82 HD23 LEU 82 12.733 -4.413 10.778 689 H GLY 83 H GLY 83 10.000 -4.781 6.437 690 HA2 GLY 83 HA2 GLY 83 11.879 -3.379 4.988 691 HA3 GLY 83 HA3 GLY 83 10.825 -4.604 4.307 692 H LEU 84 H LEU 84 8.396 -3.080 4.798 693 HA LEU 84 HA LEU 84 8.339 -1.708 2.317 694 HB2 LEU 84 HB2 LEU 84 6.432 -2.936 3.396 695 HB3 LEU 84 HB3 LEU 84 6.303 -1.621 4.546 696 HG LEU 84 HG LEU 84 5.855 -0.083 2.619 697 HD11 LEU 84 HD11 LEU 84 5.130 -1.102 0.510 698 HD12 LEU 84 HD12 LEU 84 5.664 -2.675 1.103 699 HD13 LEU 84 HD13 LEU 84 6.838 -1.386 0.839 700 HD21 LEU 84 HD21 LEU 84 3.935 -2.378 2.973 701 HD22 LEU 84 HD22 LEU 84 3.538 -0.772 2.363 702 HD23 LEU 84 HD23 LEU 84 4.067 -0.975 4.033 703 H TYR 85 H TYR 85 8.526 -0.650 5.679 704 HA TYR 85 HA TYR 85 8.189 2.130 4.986 705 HB2 TYR 85 HB2 TYR 85 7.554 2.268 7.124 706 HB3 TYR 85 HB3 TYR 85 7.951 0.571 7.340 707 HD1 TYR 85 HD2 TYR 85 10.088 -0.084 8.361 708 HD2 TYR 85 HD1 TYR 85 9.021 4.013 7.924 709 HE1 TYR 85 HE2 TYR 85 11.844 0.541 9.965 710 HE2 TYR 85 HE1 TYR 85 10.779 4.645 9.521 711 HH TYR 85 HH TYR 85 12.036 3.631 11.367 712 H VAL 86 H VAL 86 10.855 0.025 5.963 713 HA VAL 86 HA VAL 86 12.729 2.117 6.322 714 HB VAL 86 HB VAL 86 13.157 0.103 7.481 715 HG11 VAL 86 HG11 VAL 86 11.890 -1.368 5.962 716 HG12 VAL 86 HG12 VAL 86 13.433 -2.040 6.476 717 HG13 VAL 86 HG13 VAL 86 13.268 -1.357 4.859 718 HG21 VAL 86 HG21 VAL 86 15.098 0.460 5.224 719 HG22 VAL 86 HG22 VAL 86 15.366 -0.677 6.546 720 HG23 VAL 86 HG23 VAL 86 15.225 1.052 6.883 721 H ALA 87 H ALA 87 11.835 0.120 3.577 722 HA ALA 87 HA ALA 87 14.058 0.682 1.943 723 HB1 ALA 87 HB1 ALA 87 11.239 -0.027 1.150 724 HB2 ALA 87 HB2 ALA 87 12.566 -1.150 1.456 725 HB3 ALA 87 HB3 ALA 87 12.647 -0.041 0.087 726 H GLU 88 H GLU 88 11.242 2.556 2.746 727 HA GLU 88 HA GLU 88 11.151 4.208 0.466 728 HB2 GLU 88 HB2 GLU 88 10.197 4.592 3.286 729 HB3 GLU 88 HB3 GLU 88 10.020 5.845 2.072 730 HG2 GLU 88 HG2 GLU 88 8.833 4.067 0.674 731 HG3 GLU 88 HG3 GLU 88 8.736 3.148 2.179 732 H GLN 89 H GLN 89 12.375 5.032 3.709 733 HA GLN 89 HA GLN 89 13.651 7.378 2.625 734 HB2 GLN 89 HB2 GLN 89 14.341 7.771 5.008 735 HB3 GLN 89 HB3 GLN 89 12.608 7.675 4.737 736 HG2 GLN 89 HG2 GLN 89 12.512 5.475 5.645 737 HG3 GLN 89 HG3 GLN 89 14.270 5.367 5.709 738 HE21 GLN 89 HE21 GLN 89 12.227 5.122 7.815 739 HE22 GLN 89 HE22 GLN 89 12.665 6.277 9.023 740 H PHE 90 H PHE 90 14.673 4.227 3.829 741 HA PHE 90 HA PHE 90 17.448 5.061 3.797 742 HB2 PHE 90 HB2 PHE 90 16.103 2.478 4.587 743 HB3 PHE 90 HB3 PHE 90 17.860 2.626 4.458 744 HD1 PHE 90 HD2 PHE 90 19.033 4.338 5.876 745 HD2 PHE 90 HD1 PHE 90 14.973 3.228 6.500 746 HE1 PHE 90 HE2 PHE 90 19.137 5.255 8.155 747 HE2 PHE 90 HE1 PHE 90 15.068 4.146 8.780 748 HZ PHE 90 HZ PHE 90 17.154 5.162 9.610 749 H GLY 91 H GLY 91 15.281 3.055 1.857 750 HA2 GLY 91 HA2 GLY 91 15.799 2.928 -0.526 751 HA3 GLY 91 HA3 GLY 91 17.500 2.811 -0.083 752 H GLU 92 H GLU 92 15.573 1.004 -1.559 753 HA GLU 92 HA GLU 92 14.760 -1.118 0.100 754 HB2 GLU 92 HB2 GLU 92 15.398 -1.512 -2.809 755 HB3 GLU 92 HB3 GLU 92 14.094 -2.203 -1.858 756 HG2 GLU 92 HG2 GLU 92 12.823 -0.249 -1.955 757 HG3 GLU 92 HG3 GLU 92 14.204 0.727 -2.453 758 H GLU 93 H GLU 93 17.565 -0.748 -2.036 759 HA GLU 93 HA GLU 93 18.644 -3.327 -1.471 760 HB2 GLU 93 HB2 GLU 93 20.618 -2.545 -2.662 761 HB3 GLU 93 HB3 GLU 93 19.162 -2.089 -3.538 762 HG2 GLU 93 HG2 GLU 93 19.354 0.171 -2.458 763 HG3 GLU 93 HG3 GLU 93 20.937 -0.330 -1.870 764 H ASN 94 H ASN 94 18.577 -0.417 0.232 765 HA ASN 94 HA ASN 94 21.140 -0.776 1.548 766 HB2 ASN 94 HB2 ASN 94 19.007 1.338 1.658 767 HB3 ASN 94 HB3 ASN 94 20.340 1.310 2.800 768 HD21 ASN 94 HD21 ASN 94 19.708 3.329 0.857 769 HD22 ASN 94 HD22 ASN 94 21.069 3.441 -0.212 770 H VAL 95 H VAL 95 17.744 -0.994 2.256 771 HA VAL 95 HA VAL 95 17.479 -1.068 4.919 772 HB VAL 95 HB VAL 95 15.611 -2.507 4.758 773 HG11 VAL 95 HG11 VAL 95 15.385 -0.349 3.610 774 HG12 VAL 95 HG12 VAL 95 14.359 -1.599 2.913 775 HG13 VAL 95 HG13 VAL 95 15.849 -1.124 2.099 776 HG21 VAL 95 HG21 VAL 95 16.649 -4.405 3.649 777 HG22 VAL 95 HG22 VAL 95 16.708 -3.496 2.133 778 HG23 VAL 95 HG23 VAL 95 15.151 -3.942 2.833 779 H ASN 96 H ASN 96 19.127 -3.533 3.081 780 HA ASN 96 HA ASN 96 19.047 -5.652 4.878 781 HB2 ASN 96 HB2 ASN 96 19.860 -5.703 2.505 782 HB3 ASN 96 HB3 ASN 96 21.368 -4.989 3.076 783 HD21 ASN 96 HD21 ASN 96 22.801 -6.236 4.242 784 HD22 ASN 96 HD22 ASN 96 22.630 -7.947 4.418 785 H THR 97 H THR 97 20.723 -2.676 5.056 786 HA THR 97 HA THR 97 22.804 -3.366 6.825 787 HB THR 97 HB THR 97 22.731 -1.218 5.630 788 HG1 THR 97 HG1 THR 97 24.023 -1.006 7.363 789 HG21 THR 97 HG21 THR 97 21.251 0.597 6.454 790 HG22 THR 97 HG22 THR 97 20.401 -0.589 7.446 791 HG23 THR 97 HG23 THR 97 20.369 -0.726 5.686 792 H TYR 98 H TYR 98 19.454 -2.432 7.339 793 HA TYR 98 HA TYR 98 19.724 -2.550 10.228 794 HB2 TYR 98 HB2 TYR 98 18.329 -0.808 9.165 795 HB3 TYR 98 HB3 TYR 98 17.299 -2.062 8.475 796 HD1 TYR 98 HD2 TYR 98 18.226 -0.269 11.539 797 HD2 TYR 98 HD1 TYR 98 15.696 -3.240 9.855 798 HE1 TYR 98 HE2 TYR 98 16.810 -0.192 13.547 799 HE2 TYR 98 HE1 TYR 98 14.269 -3.170 11.854 800 HH TYR 98 HH TYR 98 14.377 -0.720 14.104 801 H PHE 99 H PHE 99 18.598 -4.433 7.561 802 HA PHE 99 HA PHE 99 17.311 -6.469 9.124 803 HB2 PHE 99 HB2 PHE 99 18.103 -6.171 6.247 804 HB3 PHE 99 HB3 PHE 99 17.578 -7.731 6.849 805 HD1 PHE 99 HD2 PHE 99 16.569 -4.232 6.338 806 HD2 PHE 99 HD1 PHE 99 15.320 -8.196 7.208 807 HE1 PHE 99 HE2 PHE 99 14.240 -3.557 5.984 808 HE2 PHE 99 HE1 PHE 99 12.969 -7.537 6.854 809 HZ PHE 99 HZ PHE 99 12.427 -5.210 6.244 810 H VAL 100 H VAL 100 18.369 -8.782 7.952 811 HA VAL 100 HA VAL 100 20.327 -9.583 9.661 812 HB VAL 100 HB VAL 100 19.076 -11.195 8.414 813 HG11 VAL 100 HG11 VAL 100 19.397 -11.596 6.024 814 HG12 VAL 100 HG12 VAL 100 20.486 -10.210 5.937 815 HG13 VAL 100 HG13 VAL 100 18.784 -9.970 6.330 816 HG21 VAL 100 HG21 VAL 100 20.862 -12.702 7.638 817 HG22 VAL 100 HG22 VAL 100 21.231 -11.952 9.190 818 HG23 VAL 100 HG23 VAL 100 22.002 -11.361 7.720 Start of MODEL 6 1 H1 MET -4 H1 MET -4 -20.602 -28.685 -11.099 2 H2 MET -4 H2 MET -4 -21.489 -30.077 -10.739 3 H3 MET -4 H3 MET -4 -21.154 -28.952 -9.524 4 HA MET -4 HA MET -4 -22.843 -28.468 -11.904 5 HB2 MET -4 HB2 MET -4 -23.882 -29.980 -10.239 6 HB3 MET -4 HB3 MET -4 -23.610 -28.772 -8.993 7 HG2 MET -4 HG2 MET -4 -25.046 -27.206 -10.290 8 HG3 MET -4 HG3 MET -4 -25.415 -28.534 -11.386 9 HE1 MET -4 HE1 MET -4 -25.843 -27.037 -7.824 10 HE2 MET -4 HE2 MET -4 -24.978 -28.526 -7.445 11 HE3 MET -4 HE3 MET -4 -26.660 -28.333 -6.950 12 H ARG -3 H ARG -3 -22.781 -26.414 -12.467 13 HA ARG -3 HA ARG -3 -23.052 -24.330 -10.507 14 HB2 ARG -3 HB2 ARG -3 -20.605 -24.635 -10.516 15 HB3 ARG -3 HB3 ARG -3 -20.584 -24.400 -12.259 16 HG2 ARG -3 HG2 ARG -3 -21.325 -22.118 -12.003 17 HG3 ARG -3 HG3 ARG -3 -21.494 -22.337 -10.260 18 HD2 ARG -3 HD2 ARG -3 -18.912 -22.580 -11.801 19 HD3 ARG -3 HD3 ARG -3 -19.413 -21.161 -10.881 20 HE ARG -3 HE ARG -3 -19.525 -23.283 -9.123 21 HH11 ARG -3 HH11 ARG -3 -17.070 -21.728 -11.070 22 HH12 ARG -3 HH12 ARG -3 -15.781 -22.104 -9.972 23 HH21 ARG -3 HH21 ARG -3 -17.826 -23.766 -7.661 24 HH22 ARG -3 HH22 ARG -3 -16.207 -23.267 -8.042 25 H SER -2 H SER -2 -24.707 -23.301 -11.375 26 HA SER -2 HA SER -2 -25.498 -23.369 -14.035 27 HB2 SER -2 HB2 SER -2 -26.079 -21.225 -11.980 28 HB3 SER -2 HB3 SER -2 -27.009 -21.529 -13.448 29 HG SER -2 HG SER -2 -26.713 -23.799 -12.002 30 HA PRO -1 HA PRO -1 -22.581 -20.728 -16.095 31 HB2 PRO -1 HB2 PRO -1 -24.262 -20.023 -18.186 32 HB3 PRO -1 HB3 PRO -1 -23.251 -21.470 -18.135 33 HG2 PRO -1 HG2 PRO -1 -26.155 -21.159 -17.532 34 HG3 PRO -1 HG3 PRO -1 -25.311 -22.490 -18.344 35 HD2 PRO -1 HD2 PRO -1 -26.135 -22.682 -15.797 36 HD3 PRO -1 HD3 PRO -1 -24.622 -23.435 -16.347 37 H GLY 0 H GLY 0 -22.204 -18.861 -15.078 38 HA2 GLY 0 HA2 GLY 0 -22.573 -16.443 -15.271 39 HA3 GLY 0 HA3 GLY 0 -24.298 -16.779 -15.197 40 H MET 1 H MET 1 -23.506 -18.915 -13.112 41 HA MET 1 HA MET 1 -23.976 -17.255 -10.819 42 HB2 MET 1 HB2 MET 1 -24.965 -19.469 -10.916 43 HB3 MET 1 HB3 MET 1 -23.381 -20.208 -11.086 44 HG2 MET 1 HG2 MET 1 -22.798 -19.391 -8.828 45 HG3 MET 1 HG3 MET 1 -24.441 -18.770 -8.666 46 HE1 MET 1 HE1 MET 1 -24.648 -20.190 -6.382 47 HE2 MET 1 HE2 MET 1 -23.013 -20.804 -6.626 48 HE3 MET 1 HE3 MET 1 -24.334 -21.924 -6.293 49 H ALA 2 H ALA 2 -22.382 -16.040 -10.044 50 HA ALA 2 HA ALA 2 -19.711 -17.255 -9.788 51 HB1 ALA 2 HB1 ALA 2 -18.786 -14.994 -9.834 52 HB2 ALA 2 HB2 ALA 2 -20.409 -14.328 -10.009 53 HB3 ALA 2 HB3 ALA 2 -19.724 -15.326 -11.290 54 H ASP 3 H ASP 3 -20.464 -18.224 -7.815 55 HA ASP 3 HA ASP 3 -20.778 -16.355 -5.572 56 HB2 ASP 3 HB2 ASP 3 -22.476 -18.099 -5.674 57 HB3 ASP 3 HB3 ASP 3 -21.235 -19.345 -5.744 58 H GLN 4 H GLN 4 -19.192 -16.036 -4.158 59 HA GLN 4 HA GLN 4 -16.597 -16.936 -4.658 60 HB2 GLN 4 HB2 GLN 4 -17.888 -15.541 -2.351 61 HB3 GLN 4 HB3 GLN 4 -16.228 -16.107 -2.211 62 HG2 GLN 4 HG2 GLN 4 -15.545 -14.780 -4.065 63 HG3 GLN 4 HG3 GLN 4 -17.215 -14.323 -4.416 64 HE21 GLN 4 HE21 GLN 4 -16.798 -12.143 -4.235 65 HE22 GLN 4 HE22 GLN 4 -16.489 -11.372 -2.719 66 H ARG 5 H ARG 5 -15.918 -18.920 -4.532 67 HA ARG 5 HA ARG 5 -16.976 -20.921 -2.874 68 HB2 ARG 5 HB2 ARG 5 -14.799 -22.126 -3.518 69 HB3 ARG 5 HB3 ARG 5 -15.944 -21.696 -4.760 70 HG2 ARG 5 HG2 ARG 5 -13.715 -21.296 -5.542 71 HG3 ARG 5 HG3 ARG 5 -14.589 -19.774 -5.388 72 HD2 ARG 5 HD2 ARG 5 -13.475 -19.279 -3.334 73 HD3 ARG 5 HD3 ARG 5 -12.700 -20.864 -3.320 74 HE ARG 5 HE ARG 5 -12.098 -18.691 -5.225 75 HH11 ARG 5 HH11 ARG 5 -11.182 -21.645 -3.573 76 HH12 ARG 5 HH12 ARG 5 -9.533 -21.581 -4.110 77 HH21 ARG 5 HH21 ARG 5 -9.927 -18.602 -5.926 78 HH22 ARG 5 HH22 ARG 5 -8.820 -19.846 -5.440 79 H GLN 6 H GLN 6 -14.663 -18.521 -2.397 80 HA GLN 6 HA GLN 6 -14.397 -19.386 0.391 81 HB2 GLN 6 HB2 GLN 6 -12.260 -18.210 -1.357 82 HB3 GLN 6 HB3 GLN 6 -12.164 -18.169 0.394 83 HG2 GLN 6 HG2 GLN 6 -12.381 -20.678 0.336 84 HG3 GLN 6 HG3 GLN 6 -12.142 -20.563 -1.407 85 HE21 GLN 6 HE21 GLN 6 -10.141 -19.870 -2.203 86 HE22 GLN 6 HE22 GLN 6 -8.721 -19.876 -1.221 87 H ARG 7 H ARG 7 -15.118 -17.962 1.792 88 HA ARG 7 HA ARG 7 -15.902 -15.323 0.967 89 HB2 ARG 7 HB2 ARG 7 -17.414 -16.182 2.482 90 HB3 ARG 7 HB3 ARG 7 -16.179 -17.052 3.380 91 HG2 ARG 7 HG2 ARG 7 -17.014 -15.342 4.778 92 HG3 ARG 7 HG3 ARG 7 -15.388 -14.878 4.264 93 HD2 ARG 7 HD2 ARG 7 -16.341 -13.402 2.566 94 HD3 ARG 7 HD3 ARG 7 -17.968 -13.883 3.043 95 HE ARG 7 HE ARG 7 -16.579 -12.867 5.278 96 HH11 ARG 7 HH11 ARG 7 -18.029 -11.810 2.272 97 HH12 ARG 7 HH12 ARG 7 -18.430 -10.234 2.872 98 HH21 ARG 7 HH21 ARG 7 -17.088 -10.792 6.068 99 HH22 ARG 7 HH22 ARG 7 -17.893 -9.653 5.036 100 H SER 8 H SER 8 -13.350 -16.879 2.711 101 HA SER 8 HA SER 8 -12.345 -14.708 4.165 102 HB2 SER 8 HB2 SER 8 -11.871 -16.997 4.732 103 HB3 SER 8 HB3 SER 8 -11.027 -17.245 3.206 104 HG SER 8 HG SER 8 -10.118 -15.171 4.825 105 H LEU 9 H LEU 9 -12.246 -15.212 0.821 106 HA LEU 9 HA LEU 9 -9.700 -13.842 0.502 107 HB2 LEU 9 HB2 LEU 9 -10.017 -14.248 -1.921 108 HB3 LEU 9 HB3 LEU 9 -9.971 -15.703 -0.948 109 HG LEU 9 HG LEU 9 -12.541 -15.645 -1.069 110 HD11 LEU 9 HD11 LEU 9 -12.791 -13.376 -1.923 111 HD12 LEU 9 HD12 LEU 9 -13.471 -14.553 -3.047 112 HD13 LEU 9 HD13 LEU 9 -11.902 -13.817 -3.380 113 HD21 LEU 9 HD21 LEU 9 -10.955 -17.191 -2.269 114 HD22 LEU 9 HD22 LEU 9 -11.106 -16.124 -3.667 115 HD23 LEU 9 HD23 LEU 9 -12.527 -16.955 -3.029 116 H SER 10 H SER 10 -12.907 -12.968 0.865 117 HA SER 10 HA SER 10 -13.227 -10.911 -1.011 118 HB2 SER 10 HB2 SER 10 -14.888 -9.974 0.619 119 HB3 SER 10 HB3 SER 10 -15.124 -11.686 0.275 120 HG SER 10 HG SER 10 -14.312 -12.212 2.254 121 H THR 11 H THR 11 -12.467 -10.451 2.446 122 HA THR 11 HA THR 11 -10.813 -8.163 1.728 123 HB THR 11 HB THR 11 -10.499 -8.158 4.331 124 HG1 THR 11 HG1 THR 11 -11.494 -9.871 5.137 125 HG21 THR 11 HG21 THR 11 -12.560 -6.843 4.580 126 HG22 THR 11 HG22 THR 11 -13.131 -7.460 3.030 127 HG23 THR 11 HG23 THR 11 -11.698 -6.436 3.097 128 H SER 12 H SER 12 -8.938 -8.827 0.898 129 HA SER 12 HA SER 12 -7.735 -11.319 1.667 130 HB2 SER 12 HB2 SER 12 -6.752 -9.146 -0.196 131 HB3 SER 12 HB3 SER 12 -6.070 -10.765 -0.060 132 HG SER 12 HG SER 12 -8.687 -11.015 -0.443 133 H GLY 13 H GLY 13 -7.579 -8.168 2.844 134 HA2 GLY 13 HA2 GLY 13 -6.317 -7.454 4.690 135 HA3 GLY 13 HA3 GLY 13 -5.239 -8.825 4.455 136 H GLU 14 H GLU 14 -6.020 -7.089 1.656 137 HA GLU 14 HA GLU 14 -3.296 -6.215 1.353 138 HB2 GLU 14 HB2 GLU 14 -3.989 -5.555 -0.890 139 HB3 GLU 14 HB3 GLU 14 -4.554 -7.181 -0.536 140 HG2 GLU 14 HG2 GLU 14 -6.741 -6.026 0.155 141 HG3 GLU 14 HG3 GLU 14 -6.110 -4.646 -0.741 142 H SER 15 H SER 15 -2.630 -4.060 1.113 143 HA SER 15 HA SER 15 -4.398 -2.217 2.575 144 HB2 SER 15 HB2 SER 15 -2.540 -2.869 3.967 145 HB3 SER 15 HB3 SER 15 -1.390 -2.491 2.687 146 HG SER 15 HG SER 15 -2.866 -0.762 4.338 147 H LEU 16 H LEU 16 -1.499 -2.031 0.481 148 HA LEU 16 HA LEU 16 -1.871 0.654 -0.217 149 HB2 LEU 16 HB2 LEU 16 -0.382 -1.572 -1.581 150 HB3 LEU 16 HB3 LEU 16 -0.372 0.064 -2.187 151 HG LEU 16 HG LEU 16 1.647 -0.425 -0.960 152 HD11 LEU 16 HD11 LEU 16 1.630 1.444 0.632 153 HD12 LEU 16 HD12 LEU 16 -0.127 1.517 0.500 154 HD13 LEU 16 HD13 LEU 16 0.881 1.864 -0.907 155 HD21 LEU 16 HD21 LEU 16 -0.123 -0.919 1.419 156 HD22 LEU 16 HD22 LEU 16 1.637 -0.824 1.450 157 HD23 LEU 16 HD23 LEU 16 0.840 -2.121 0.560 158 H TYR 17 H TYR 17 -2.629 -2.286 -2.040 159 HA TYR 17 HA TYR 17 -3.917 -1.201 -4.225 160 HB2 TYR 17 HB2 TYR 17 -4.661 -3.684 -2.663 161 HB3 TYR 17 HB3 TYR 17 -5.316 -3.281 -4.243 162 HD1 TYR 17 HD2 TYR 17 -3.684 -3.098 -6.196 163 HD2 TYR 17 HD1 TYR 17 -2.641 -4.848 -2.466 164 HE1 TYR 17 HE2 TYR 17 -1.780 -4.232 -7.264 165 HE2 TYR 17 HE1 TYR 17 -0.732 -5.982 -3.521 166 HH TYR 17 HH TYR 17 0.348 -5.212 -6.684 167 H HIS 18 H HIS 18 -5.174 -1.766 -0.986 168 HA HIS 18 HA HIS 18 -7.881 -1.263 -1.612 169 HB2 HIS 18 HB2 HIS 18 -7.075 -2.601 0.335 170 HB3 HIS 18 HB3 HIS 18 -6.557 -1.103 1.096 171 HD1 HIS 18 HD1 HIS 18 -8.244 0.010 2.536 172 HD2 HIS 18 HD2 HIS 18 -9.980 -2.634 -0.154 173 HE1 HIS 18 HE1 HIS 18 -10.687 -0.041 3.125 174 HE2 HIS 18 HE2 HIS 18 -11.744 -1.489 1.355 175 H VAL 19 H VAL 19 -5.258 0.827 -0.501 176 HA VAL 19 HA VAL 19 -6.871 3.048 0.216 177 HB VAL 19 HB VAL 19 -4.961 4.154 0.659 178 HG11 VAL 19 HG11 VAL 19 -2.874 2.750 0.711 179 HG12 VAL 19 HG12 VAL 19 -3.829 1.465 -0.025 180 HG13 VAL 19 HG13 VAL 19 -4.275 2.097 1.561 181 HG21 VAL 19 HG21 VAL 19 -4.002 3.354 -2.081 182 HG22 VAL 19 HG22 VAL 19 -3.010 4.275 -0.941 183 HG23 VAL 19 HG23 VAL 19 -4.536 4.945 -1.523 184 H LEU 20 H LEU 20 -5.710 1.793 -2.777 185 HA LEU 20 HA LEU 20 -6.351 4.222 -4.244 186 HB2 LEU 20 HB2 LEU 20 -4.941 1.670 -4.889 187 HB3 LEU 20 HB3 LEU 20 -5.512 2.701 -6.191 188 HG LEU 20 HG LEU 20 -3.525 3.445 -4.043 189 HD11 LEU 20 HD11 LEU 20 -1.967 3.652 -5.939 190 HD12 LEU 20 HD12 LEU 20 -3.219 3.011 -7.008 191 HD13 LEU 20 HD13 LEU 20 -2.560 2.003 -5.718 192 HD21 LEU 20 HD21 LEU 20 -4.727 5.068 -6.275 193 HD22 LEU 20 HD22 LEU 20 -3.276 5.527 -5.381 194 HD23 LEU 20 HD23 LEU 20 -4.817 5.383 -4.539 195 H GLY 21 H GLY 21 -7.998 1.606 -3.173 196 HA2 GLY 21 HA2 GLY 21 -10.190 1.025 -3.526 197 HA3 GLY 21 HA3 GLY 21 -10.276 2.254 -4.775 198 H LEU 22 H LEU 22 -7.722 0.088 -5.234 199 HA LEU 22 HA LEU 22 -9.322 -1.463 -7.159 200 HB2 LEU 22 HB2 LEU 22 -7.074 -1.778 -8.337 201 HB3 LEU 22 HB3 LEU 22 -7.851 -0.219 -8.485 202 HG LEU 22 HG LEU 22 -6.320 0.460 -6.492 203 HD11 LEU 22 HD11 LEU 22 -4.184 -0.710 -6.450 204 HD12 LEU 22 HD12 LEU 22 -4.808 -1.902 -7.591 205 HD13 LEU 22 HD13 LEU 22 -5.506 -1.776 -5.976 206 HD21 LEU 22 HD21 LEU 22 -5.171 -0.021 -9.231 207 HD22 LEU 22 HD22 LEU 22 -4.596 1.142 -8.036 208 HD23 LEU 22 HD23 LEU 22 -6.187 1.345 -8.767 209 H ASP 23 H ASP 23 -8.384 -3.651 -7.621 210 HA ASP 23 HA ASP 23 -7.452 -4.840 -5.112 211 HB2 ASP 23 HB2 ASP 23 -8.661 -6.174 -7.545 212 HB3 ASP 23 HB3 ASP 23 -8.195 -6.989 -6.060 213 H LYS 24 H LYS 24 -6.138 -6.916 -5.630 214 HA LYS 24 HA LYS 24 -3.614 -5.996 -6.379 215 HB2 LYS 24 HB2 LYS 24 -2.929 -8.321 -5.949 216 HB3 LYS 24 HB3 LYS 24 -3.969 -7.677 -4.682 217 HG2 LYS 24 HG2 LYS 24 -5.613 -8.917 -6.633 218 HG3 LYS 24 HG3 LYS 24 -4.316 -10.020 -6.220 219 HD2 LYS 24 HD2 LYS 24 -5.555 -10.598 -4.452 220 HD3 LYS 24 HD3 LYS 24 -5.110 -9.034 -3.768 221 HE2 LYS 24 HE2 LYS 24 -7.098 -8.025 -4.748 222 HE3 LYS 24 HE3 LYS 24 -7.532 -9.564 -5.484 223 HZ1 LYS 24 HZ1 LYS 24 -7.645 -10.483 -3.190 224 HZ2 LYS 24 HZ2 LYS 24 -8.807 -9.307 -3.528 225 HZ3 LYS 24 HZ3 LYS 24 -7.451 -8.906 -2.595 226 H ASN 25 H ASN 25 -6.064 -6.939 -8.418 227 HA ASN 25 HA ASN 25 -4.380 -8.316 -10.342 228 HB2 ASN 25 HB2 ASN 25 -6.484 -8.639 -11.573 229 HB3 ASN 25 HB3 ASN 25 -6.572 -9.207 -9.912 230 HD21 ASN 25 HD21 ASN 25 -7.955 -8.333 -8.517 231 HD22 ASN 25 HD22 ASN 25 -9.146 -7.152 -8.952 232 H ALA 26 H ALA 26 -5.090 -5.256 -9.526 233 HA ALA 26 HA ALA 26 -5.312 -3.957 -12.031 234 HB1 ALA 26 HB1 ALA 26 -5.838 -2.821 -9.921 235 HB2 ALA 26 HB2 ALA 26 -4.606 -1.934 -10.847 236 HB3 ALA 26 HB3 ALA 26 -4.138 -2.921 -9.453 237 H THR 27 H THR 27 -3.632 -2.665 -13.048 238 HA THR 27 HA THR 27 -0.946 -3.806 -12.672 239 HB THR 27 HB THR 27 -1.992 -4.507 -14.833 240 HG1 THR 27 HG1 THR 27 -0.141 -3.721 -16.123 241 HG21 THR 27 HG21 THR 27 -3.309 -2.475 -15.258 242 HG22 THR 27 HG22 THR 27 -2.260 -2.865 -16.621 243 HG23 THR 27 HG23 THR 27 -1.819 -1.568 -15.511 244 H SER 28 H SER 28 0.645 -2.136 -13.954 245 HA SER 28 HA SER 28 0.960 0.012 -12.267 246 HB2 SER 28 HB2 SER 28 2.417 0.962 -14.097 247 HB3 SER 28 HB3 SER 28 2.775 -0.707 -13.654 248 HG SER 28 HG SER 28 2.592 -0.979 -15.745 249 H ASP 29 H ASP 29 -0.733 -0.124 -15.326 250 HA ASP 29 HA ASP 29 -1.439 2.517 -15.691 251 HB2 ASP 29 HB2 ASP 29 -2.968 -0.009 -16.299 252 HB3 ASP 29 HB3 ASP 29 -3.530 1.583 -16.789 253 H ASP 30 H ASP 30 -3.316 0.034 -13.893 254 HA ASP 30 HA ASP 30 -5.399 1.869 -13.284 255 HB2 ASP 30 HB2 ASP 30 -4.687 -0.915 -12.435 256 HB3 ASP 30 HB3 ASP 30 -5.959 -0.045 -11.578 257 H ILE 31 H ILE 31 -2.550 0.709 -11.626 258 HA ILE 31 HA ILE 31 -3.142 1.747 -9.074 259 HB ILE 31 HB ILE 31 -0.506 1.036 -10.363 260 HG12 ILE 31 HG12 ILE 31 -1.870 -0.559 -8.239 261 HG13 ILE 31 HG13 ILE 31 -2.516 -0.629 -9.875 262 HG21 ILE 31 HG21 ILE 31 0.430 0.966 -8.119 263 HG22 ILE 31 HG22 ILE 31 -1.104 1.512 -7.443 264 HG23 ILE 31 HG23 ILE 31 -0.170 2.583 -8.487 265 HD11 ILE 31 HD11 ILE 31 -0.379 -1.394 -10.705 266 HD12 ILE 31 HD12 ILE 31 -0.974 -2.450 -9.421 267 HD13 ILE 31 HD13 ILE 31 0.308 -1.284 -9.083 268 H LYS 32 H LYS 32 -1.288 3.089 -11.797 269 HA LYS 32 HA LYS 32 -0.457 5.381 -10.318 270 HB2 LYS 32 HB2 LYS 32 -0.390 4.782 -13.272 271 HB3 LYS 32 HB3 LYS 32 0.313 6.222 -12.545 272 HG2 LYS 32 HG2 LYS 32 1.855 4.894 -11.271 273 HG3 LYS 32 HG3 LYS 32 1.085 3.404 -11.820 274 HD2 LYS 32 HD2 LYS 32 1.742 3.929 -14.124 275 HD3 LYS 32 HD3 LYS 32 2.530 5.403 -13.557 276 HE2 LYS 32 HE2 LYS 32 4.050 4.080 -12.193 277 HE3 LYS 32 HE3 LYS 32 3.246 2.599 -12.709 278 HZ1 LYS 32 HZ1 LYS 32 3.952 3.024 -14.963 279 HZ2 LYS 32 HZ2 LYS 32 5.298 3.024 -13.941 280 HZ3 LYS 32 HZ3 LYS 32 4.666 4.487 -14.508 281 H LYS 33 H LYS 33 -3.026 4.810 -12.708 282 HA LYS 33 HA LYS 33 -3.951 7.460 -12.807 283 HB2 LYS 33 HB2 LYS 33 -5.512 4.901 -13.185 284 HB3 LYS 33 HB3 LYS 33 -6.023 6.504 -13.704 285 HG2 LYS 33 HG2 LYS 33 -3.982 6.597 -15.133 286 HG3 LYS 33 HG3 LYS 33 -3.683 4.916 -14.719 287 HD2 LYS 33 HD2 LYS 33 -6.217 5.909 -16.014 288 HD3 LYS 33 HD3 LYS 33 -4.854 5.223 -16.899 289 HE2 LYS 33 HE2 LYS 33 -5.091 3.145 -15.592 290 HE3 LYS 33 HE3 LYS 33 -6.496 3.836 -14.784 291 HZ1 LYS 33 HZ1 LYS 33 -7.164 2.396 -16.585 292 HZ2 LYS 33 HZ2 LYS 33 -6.252 3.291 -17.692 293 HZ3 LYS 33 HZ3 LYS 33 -7.593 3.992 -16.938 294 H SER 34 H SER 34 -5.008 4.722 -10.770 295 HA SER 34 HA SER 34 -6.958 6.070 -9.302 296 HB2 SER 34 HB2 SER 34 -5.122 3.847 -8.399 297 HB3 SER 34 HB3 SER 34 -6.586 4.358 -7.556 298 HG SER 34 HG SER 34 -6.309 3.069 -10.046 299 H TYR 35 H TYR 35 -3.470 5.924 -8.865 300 HA TYR 35 HA TYR 35 -3.243 7.267 -6.453 301 HB2 TYR 35 HB2 TYR 35 -1.248 6.394 -7.338 302 HB3 TYR 35 HB3 TYR 35 -1.486 7.180 -8.895 303 HD1 TYR 35 HD1 TYR 35 -1.146 8.230 -5.300 304 HD2 TYR 35 HD2 TYR 35 -0.061 8.918 -9.356 305 HE1 TYR 35 HE1 TYR 35 0.300 10.074 -4.593 306 HE2 TYR 35 HE2 TYR 35 1.397 10.765 -8.654 307 HH TYR 35 HH TYR 35 2.261 11.287 -5.399 308 H ARG 36 H ARG 36 -3.282 8.663 -9.728 309 HA ARG 36 HA ARG 36 -3.165 11.345 -8.959 310 HB2 ARG 36 HB2 ARG 36 -4.606 10.193 -11.357 311 HB3 ARG 36 HB3 ARG 36 -4.051 11.851 -11.178 312 HG2 ARG 36 HG2 ARG 36 -2.289 9.412 -11.296 313 HG3 ARG 36 HG3 ARG 36 -2.575 10.546 -12.616 314 HD2 ARG 36 HD2 ARG 36 -1.601 12.347 -11.278 315 HD3 ARG 36 HD3 ARG 36 -1.329 11.218 -9.953 316 HE ARG 36 HE ARG 36 -0.087 10.227 -12.270 317 HH11 ARG 36 HH11 ARG 36 0.244 12.838 -9.956 318 HH12 ARG 36 HH12 ARG 36 1.963 12.959 -10.152 319 HH21 ARG 36 HH21 ARG 36 2.172 10.376 -12.513 320 HH22 ARG 36 HH22 ARG 36 3.061 11.555 -11.602 321 H LYS 37 H LYS 37 -5.992 9.404 -9.799 322 HA LYS 37 HA LYS 37 -8.026 11.195 -9.499 323 HB2 LYS 37 HB2 LYS 37 -7.940 8.270 -8.778 324 HB3 LYS 37 HB3 LYS 37 -9.427 9.203 -8.859 325 HG2 LYS 37 HG2 LYS 37 -9.363 9.364 -11.146 326 HG3 LYS 37 HG3 LYS 37 -7.610 9.162 -11.215 327 HD2 LYS 37 HD2 LYS 37 -9.083 7.213 -12.017 328 HD3 LYS 37 HD3 LYS 37 -7.745 6.846 -10.928 329 HE2 LYS 37 HE2 LYS 37 -9.321 6.855 -9.033 330 HE3 LYS 37 HE3 LYS 37 -10.646 7.166 -10.152 331 HZ1 LYS 37 HZ1 LYS 37 -10.237 5.059 -11.210 332 HZ2 LYS 37 HZ2 LYS 37 -10.432 4.807 -9.551 333 HZ3 LYS 37 HZ3 LYS 37 -8.887 4.773 -10.236 334 H LEU 38 H LEU 38 -6.440 9.366 -6.925 335 HA LEU 38 HA LEU 38 -8.231 10.526 -4.944 336 HB2 LEU 38 HB2 LEU 38 -6.018 8.496 -4.782 337 HB3 LEU 38 HB3 LEU 38 -6.934 9.060 -3.394 338 HG LEU 38 HG LEU 38 -8.261 7.797 -5.780 339 HD11 LEU 38 HD11 LEU 38 -7.279 6.453 -3.271 340 HD12 LEU 38 HD12 LEU 38 -6.648 6.217 -4.901 341 HD13 LEU 38 HD13 LEU 38 -8.291 5.709 -4.511 342 HD21 LEU 38 HD21 LEU 38 -9.709 9.095 -4.317 343 HD22 LEU 38 HD22 LEU 38 -9.123 8.197 -2.918 344 HD23 LEU 38 HD23 LEU 38 -10.057 7.373 -4.165 345 H ALA 39 H ALA 39 -4.929 10.778 -6.006 346 HA ALA 39 HA ALA 39 -3.648 11.974 -3.895 347 HB1 ALA 39 HB1 ALA 39 -2.543 11.268 -5.956 348 HB2 ALA 39 HB2 ALA 39 -2.094 12.911 -5.496 349 HB3 ALA 39 HB3 ALA 39 -3.252 12.643 -6.800 350 H LEU 40 H LEU 40 -5.453 13.709 -6.454 351 HA LEU 40 HA LEU 40 -4.962 16.209 -5.138 352 HB2 LEU 40 HB2 LEU 40 -6.959 16.959 -6.728 353 HB3 LEU 40 HB3 LEU 40 -5.304 16.837 -7.259 354 HG LEU 40 HG LEU 40 -7.080 15.989 -8.824 355 HD11 LEU 40 HD11 LEU 40 -4.819 15.464 -9.262 356 HD12 LEU 40 HD12 LEU 40 -5.752 13.979 -9.485 357 HD13 LEU 40 HD13 LEU 40 -4.801 14.215 -8.019 358 HD21 LEU 40 HD21 LEU 40 -7.156 13.620 -6.983 359 HD22 LEU 40 HD22 LEU 40 -7.984 13.794 -8.530 360 HD23 LEU 40 HD23 LEU 40 -8.448 14.806 -7.164 361 H LYS 41 H LYS 41 -7.687 14.025 -5.348 362 HA LYS 41 HA LYS 41 -9.598 15.291 -3.875 363 HB2 LYS 41 HB2 LYS 41 -10.000 13.146 -4.874 364 HB3 LYS 41 HB3 LYS 41 -8.766 12.392 -3.878 365 HG2 LYS 41 HG2 LYS 41 -10.145 12.834 -1.887 366 HG3 LYS 41 HG3 LYS 41 -11.402 13.496 -2.938 367 HD2 LYS 41 HD2 LYS 41 -11.555 11.345 -4.096 368 HD3 LYS 41 HD3 LYS 41 -10.299 10.691 -3.048 369 HE2 LYS 41 HE2 LYS 41 -11.686 10.903 -1.126 370 HE3 LYS 41 HE3 LYS 41 -12.903 11.801 -2.032 371 HZ1 LYS 41 HZ1 LYS 41 -13.611 9.545 -1.745 372 HZ2 LYS 41 HZ2 LYS 41 -12.172 8.950 -2.403 373 HZ3 LYS 41 HZ3 LYS 41 -13.262 9.796 -3.380 374 H TYR 42 H TYR 42 -6.850 13.432 -2.610 375 HA TYR 42 HA TYR 42 -7.491 14.412 0.085 376 HB2 TYR 42 HB2 TYR 42 -5.750 12.153 -0.895 377 HB3 TYR 42 HB3 TYR 42 -5.725 12.711 0.776 378 HD1 TYR 42 HD2 TYR 42 -7.733 12.435 2.194 379 HD2 TYR 42 HD1 TYR 42 -7.537 10.775 -1.716 380 HE1 TYR 42 HE2 TYR 42 -9.599 10.933 2.742 381 HE2 TYR 42 HE1 TYR 42 -9.395 9.269 -1.169 382 HH TYR 42 HH TYR 42 -11.220 9.585 1.788 383 H HIS 43 H HIS 43 -6.219 15.994 -2.089 384 HA HIS 43 HA HIS 43 -3.466 16.309 -1.663 385 HB2 HIS 43 HB2 HIS 43 -5.162 17.275 -3.482 386 HB3 HIS 43 HB3 HIS 43 -5.143 18.661 -2.398 387 HD1 HIS 43 HD1 HIS 43 -3.594 20.357 -3.273 388 HD2 HIS 43 HD2 HIS 43 -2.174 16.503 -3.905 389 HE1 HIS 43 HE1 HIS 43 -1.355 20.635 -4.373 390 HE2 HIS 43 HE2 HIS 43 -0.584 18.294 -4.886 391 HA PRO 44 HA PRO 44 -2.886 17.748 2.373 392 HB2 PRO 44 HB2 PRO 44 -1.338 20.023 1.795 393 HB3 PRO 44 HB3 PRO 44 -0.745 18.399 2.138 394 HG2 PRO 44 HG2 PRO 44 -1.247 19.744 -0.477 395 HG3 PRO 44 HG3 PRO 44 0.044 18.609 -0.020 396 HD2 PRO 44 HD2 PRO 44 -1.973 17.773 -1.490 397 HD3 PRO 44 HD3 PRO 44 -1.396 16.754 -0.154 398 H ASP 45 H ASP 45 -3.760 20.328 0.111 399 HA ASP 45 HA ASP 45 -4.384 22.127 2.260 400 HB2 ASP 45 HB2 ASP 45 -4.727 22.365 -0.725 401 HB3 ASP 45 HB3 ASP 45 -5.067 23.669 0.411 402 H LYS 46 H LYS 46 -5.999 19.617 0.857 403 HA LYS 46 HA LYS 46 -8.670 20.696 1.309 404 HB2 LYS 46 HB2 LYS 46 -7.774 17.910 0.556 405 HB3 LYS 46 HB3 LYS 46 -9.412 18.515 0.513 406 HG2 LYS 46 HG2 LYS 46 -8.405 20.283 -1.107 407 HG3 LYS 46 HG3 LYS 46 -7.138 19.081 -1.301 408 HD2 LYS 46 HD2 LYS 46 -8.827 17.406 -1.897 409 HD3 LYS 46 HD3 LYS 46 -10.083 18.638 -1.768 410 HE2 LYS 46 HE2 LYS 46 -7.726 18.816 -3.632 411 HE3 LYS 46 HE3 LYS 46 -9.291 18.161 -4.103 412 HZ1 LYS 46 HZ1 LYS 46 -10.301 20.289 -3.670 413 HZ2 LYS 46 HZ2 LYS 46 -8.985 20.516 -4.710 414 HZ3 LYS 46 HZ3 LYS 46 -8.846 20.919 -3.076 415 H ASN 47 H ASN 47 -6.408 19.943 3.375 416 HA ASN 47 HA ASN 47 -7.868 17.871 4.861 417 HB2 ASN 47 HB2 ASN 47 -4.958 18.626 5.046 418 HB3 ASN 47 HB3 ASN 47 -5.736 17.322 5.918 419 HD21 ASN 47 HD21 ASN 47 -6.229 18.177 2.532 420 HD22 ASN 47 HD22 ASN 47 -5.612 16.689 1.907 421 HA PRO 48 HA PRO 48 -8.319 20.939 8.123 422 HB2 PRO 48 HB2 PRO 48 -9.662 18.744 9.501 423 HB3 PRO 48 HB3 PRO 48 -10.309 20.312 9.017 424 HG2 PRO 48 HG2 PRO 48 -11.073 18.013 7.827 425 HG3 PRO 48 HG3 PRO 48 -10.954 19.539 6.932 426 HD2 PRO 48 HD2 PRO 48 -9.005 17.258 7.047 427 HD3 PRO 48 HD3 PRO 48 -9.554 18.195 5.640 428 H ASP 49 H ASP 49 -8.531 19.919 10.688 429 HA ASP 49 HA ASP 49 -5.796 19.698 11.334 430 HB2 ASP 49 HB2 ASP 49 -7.652 20.756 12.672 431 HB3 ASP 49 HB3 ASP 49 -8.137 19.128 13.135 432 H ASN 50 H ASN 50 -8.376 17.382 10.942 433 HA ASN 50 HA ASN 50 -7.097 15.166 12.132 434 HB2 ASN 50 HB2 ASN 50 -8.669 13.823 10.653 435 HB3 ASN 50 HB3 ASN 50 -9.431 14.950 11.759 436 HD21 ASN 50 HD21 ASN 50 -8.957 14.052 8.501 437 HD22 ASN 50 HD22 ASN 50 -9.943 15.271 7.785 438 HA PRO 51 HA PRO 51 -3.983 14.609 8.982 439 HB2 PRO 51 HB2 PRO 51 -2.648 12.624 10.203 440 HB3 PRO 51 HB3 PRO 51 -2.572 14.290 10.789 441 HG2 PRO 51 HG2 PRO 51 -4.219 12.002 11.799 442 HG3 PRO 51 HG3 PRO 51 -3.299 13.207 12.716 443 HD2 PRO 51 HD2 PRO 51 -5.996 13.350 12.318 444 HD3 PRO 51 HD3 PRO 51 -4.967 14.773 12.564 445 H GLU 52 H GLU 52 -6.677 13.053 9.236 446 HA GLU 52 HA GLU 52 -6.254 10.369 8.496 447 HB2 GLU 52 HB2 GLU 52 -8.388 11.215 9.391 448 HB3 GLU 52 HB3 GLU 52 -8.590 12.211 7.953 449 HG2 GLU 52 HG2 GLU 52 -8.654 10.159 6.592 450 HG3 GLU 52 HG3 GLU 52 -8.578 9.204 8.071 451 H ALA 53 H ALA 53 -7.112 13.237 6.649 452 HA ALA 53 HA ALA 53 -7.058 11.971 4.135 453 HB1 ALA 53 HB1 ALA 53 -7.351 14.185 3.239 454 HB2 ALA 53 HB2 ALA 53 -6.813 14.906 4.758 455 HB3 ALA 53 HB3 ALA 53 -8.333 14.015 4.698 456 H ALA 54 H ALA 54 -4.649 13.517 6.098 457 HA ALA 54 HA ALA 54 -2.679 13.814 4.064 458 HB1 ALA 54 HB1 ALA 54 -2.593 15.138 6.099 459 HB2 ALA 54 HB2 ALA 54 -1.125 14.175 5.928 460 HB3 ALA 54 HB3 ALA 54 -2.384 13.674 7.061 461 H ASP 55 H ASP 55 -3.367 11.387 6.524 462 HA ASP 55 HA ASP 55 -1.246 9.625 5.897 463 HB2 ASP 55 HB2 ASP 55 -3.355 9.715 7.738 464 HB3 ASP 55 HB3 ASP 55 -3.642 8.266 6.788 465 H LYS 56 H LYS 56 -4.592 9.872 4.918 466 HA LYS 56 HA LYS 56 -4.827 7.786 3.139 467 HB2 LYS 56 HB2 LYS 56 -6.020 10.419 3.529 468 HB3 LYS 56 HB3 LYS 56 -6.200 9.776 1.900 469 HG2 LYS 56 HG2 LYS 56 -7.185 8.634 4.490 470 HG3 LYS 56 HG3 LYS 56 -8.109 9.207 3.112 471 HD2 LYS 56 HD2 LYS 56 -6.429 6.711 3.268 472 HD3 LYS 56 HD3 LYS 56 -8.180 6.815 3.142 473 HE2 LYS 56 HE2 LYS 56 -7.890 6.539 0.953 474 HE3 LYS 56 HE3 LYS 56 -7.298 8.199 0.912 475 HZ1 LYS 56 HZ1 LYS 56 -5.577 5.830 1.406 476 HZ2 LYS 56 HZ2 LYS 56 -5.075 7.414 1.046 477 HZ3 LYS 56 HZ3 LYS 56 -5.843 6.481 -0.137 478 H PHE 57 H PHE 57 -3.972 11.139 2.292 479 HA PHE 57 HA PHE 57 -3.184 10.653 -0.310 480 HB2 PHE 57 HB2 PHE 57 -3.407 12.917 0.667 481 HB3 PHE 57 HB3 PHE 57 -1.900 12.656 1.549 482 HD1 PHE 57 HD1 PHE 57 -2.112 11.284 -1.807 483 HD2 PHE 57 HD2 PHE 57 -1.054 14.716 0.467 484 HE1 PHE 57 HE1 PHE 57 -0.857 12.155 -3.722 485 HE2 PHE 57 HE2 PHE 57 0.212 15.591 -1.447 486 HZ PHE 57 HZ PHE 57 0.313 14.312 -3.546 487 H LYS 58 H LYS 58 -1.311 10.376 2.616 488 HA LYS 58 HA LYS 58 1.195 9.816 1.572 489 HB2 LYS 58 HB2 LYS 58 0.563 10.251 3.940 490 HB3 LYS 58 HB3 LYS 58 -0.070 8.616 4.030 491 HG2 LYS 58 HG2 LYS 58 2.193 7.763 3.530 492 HG3 LYS 58 HG3 LYS 58 2.791 9.426 3.584 493 HD2 LYS 58 HD2 LYS 58 1.542 7.826 5.815 494 HD3 LYS 58 HD3 LYS 58 3.179 8.481 5.740 495 HE2 LYS 58 HE2 LYS 58 2.340 10.733 5.888 496 HE3 LYS 58 HE3 LYS 58 0.668 10.167 5.772 497 HZ1 LYS 58 HZ1 LYS 58 2.499 9.398 7.983 498 HZ2 LYS 58 HZ2 LYS 58 0.819 9.173 7.903 499 HZ3 LYS 58 HZ3 LYS 58 1.462 10.731 8.061 500 H GLU 59 H GLU 59 -1.409 7.529 2.441 501 HA GLU 59 HA GLU 59 0.024 5.252 1.552 502 HB2 GLU 59 HB2 GLU 59 -2.252 4.141 1.654 503 HB3 GLU 59 HB3 GLU 59 -1.582 4.772 3.140 504 HG2 GLU 59 HG2 GLU 59 -2.975 6.764 2.882 505 HG3 GLU 59 HG3 GLU 59 -3.696 6.060 1.435 506 H ILE 60 H ILE 60 -2.246 7.407 -0.087 507 HA ILE 60 HA ILE 60 -2.558 5.900 -2.469 508 HB ILE 60 HB ILE 60 -2.281 8.906 -2.401 509 HG12 ILE 60 HG12 ILE 60 -4.869 7.404 -2.033 510 HG13 ILE 60 HG13 ILE 60 -3.937 8.051 -0.685 511 HG21 ILE 60 HG21 ILE 60 -4.212 7.501 -4.140 512 HG22 ILE 60 HG22 ILE 60 -2.503 7.341 -4.523 513 HG23 ILE 60 HG23 ILE 60 -3.239 8.942 -4.450 514 HD11 ILE 60 HD11 ILE 60 -5.663 9.606 -1.228 515 HD12 ILE 60 HD12 ILE 60 -5.200 9.600 -2.930 516 HD13 ILE 60 HD13 ILE 60 -4.124 10.299 -1.732 517 H ASN 61 H ASN 61 -0.300 8.411 -1.514 518 HA ASN 61 HA ASN 61 1.198 8.453 -3.899 519 HB2 ASN 61 HB2 ASN 61 0.951 10.271 -2.160 520 HB3 ASN 61 HB3 ASN 61 2.066 9.355 -1.147 521 HD21 ASN 61 HD21 ASN 61 3.467 11.099 -1.163 522 HD22 ASN 61 HD22 ASN 61 4.477 11.449 -2.521 523 H ASN 62 H ASN 62 1.342 6.508 -1.029 524 HA ASN 62 HA ASN 62 3.951 5.440 -1.568 525 HB2 ASN 62 HB2 ASN 62 2.735 5.511 0.708 526 HB3 ASN 62 HB3 ASN 62 1.877 4.084 0.128 527 HD21 ASN 62 HD21 ASN 62 2.767 2.713 1.622 528 HD22 ASN 62 HD22 ASN 62 4.439 2.256 1.616 529 H ALA 63 H ALA 63 0.671 4.076 -1.710 530 HA ALA 63 HA ALA 63 1.217 1.644 -2.872 531 HB1 ALA 63 HB1 ALA 63 -1.191 3.392 -3.362 532 HB2 ALA 63 HB2 ALA 63 -0.979 2.253 -2.030 533 HB3 ALA 63 HB3 ALA 63 -1.092 1.660 -3.686 534 H HIS 64 H HIS 64 0.876 4.764 -4.439 535 HA HIS 64 HA HIS 64 0.826 4.114 -7.102 536 HB2 HIS 64 HB2 HIS 64 0.668 6.388 -6.494 537 HB3 HIS 64 HB3 HIS 64 2.199 6.351 -5.626 538 HD1 HIS 64 HD1 HIS 64 4.183 7.189 -6.872 539 HD2 HIS 64 HD2 HIS 64 1.057 6.172 -9.416 540 HE1 HIS 64 HE1 HIS 64 4.916 7.906 -9.162 541 HE2 HIS 64 HE2 HIS 64 2.943 7.437 -10.654 542 H ALA 65 H ALA 65 3.633 4.112 -4.949 543 HA ALA 65 HA ALA 65 5.387 3.399 -7.164 544 HB1 ALA 65 HB1 ALA 65 7.196 3.603 -5.532 545 HB2 ALA 65 HB2 ALA 65 6.012 3.874 -4.251 546 HB3 ALA 65 HB3 ALA 65 6.186 5.048 -5.556 547 H ILE 66 H ILE 66 3.862 1.999 -4.357 548 HA ILE 66 HA ILE 66 5.606 -0.189 -4.017 549 HB ILE 66 HB ILE 66 2.698 -0.137 -3.220 550 HG12 ILE 66 HG12 ILE 66 3.651 1.873 -2.330 551 HG13 ILE 66 HG13 ILE 66 3.547 0.708 -1.016 552 HG21 ILE 66 HG21 ILE 66 3.467 -1.626 -1.416 553 HG22 ILE 66 HG22 ILE 66 5.087 -1.614 -2.123 554 HG23 ILE 66 HG23 ILE 66 3.735 -2.307 -3.021 555 HD11 ILE 66 HD11 ILE 66 6.008 1.475 -2.558 556 HD12 ILE 66 HD12 ILE 66 5.942 0.212 -1.327 557 HD13 ILE 66 HD13 ILE 66 5.616 1.892 -0.886 558 H LEU 67 H LEU 67 2.350 -0.082 -5.511 559 HA LEU 67 HA LEU 67 2.345 -2.898 -5.900 560 HB2 LEU 67 HB2 LEU 67 0.550 -0.747 -6.993 561 HB3 LEU 67 HB3 LEU 67 0.296 -2.452 -7.287 562 HG LEU 67 HG LEU 67 -0.954 -2.528 -5.465 563 HD11 LEU 67 HD11 LEU 67 1.487 -1.679 -3.927 564 HD12 LEU 67 HD12 LEU 67 1.061 -3.333 -4.368 565 HD13 LEU 67 HD13 LEU 67 0.041 -2.427 -3.254 566 HD21 LEU 67 HD21 LEU 67 -1.345 -0.567 -4.065 567 HD22 LEU 67 HD22 LEU 67 -1.400 -0.175 -5.784 568 HD23 LEU 67 HD23 LEU 67 0.023 0.244 -4.828 569 H THR 68 H THR 68 3.459 -0.274 -7.858 570 HA THR 68 HA THR 68 3.596 -2.044 -10.183 571 HB THR 68 HB THR 68 2.577 0.107 -10.631 572 HG1 THR 68 HG1 THR 68 5.136 0.336 -11.803 573 HG21 THR 68 HG21 THR 68 5.180 1.314 -9.711 574 HG22 THR 68 HG22 THR 68 3.626 1.422 -8.882 575 HG23 THR 68 HG23 THR 68 3.841 2.189 -10.455 576 H ASP 69 H ASP 69 5.407 -1.618 -7.603 577 HA ASP 69 HA ASP 69 7.910 -1.916 -9.136 578 HB2 ASP 69 HB2 ASP 69 7.476 -0.122 -7.073 579 HB3 ASP 69 HB3 ASP 69 8.231 -1.498 -6.257 580 H ALA 70 H ALA 70 8.911 -3.791 -9.002 581 HA ALA 70 HA ALA 70 7.358 -6.006 -8.334 582 HB1 ALA 70 HB1 ALA 70 10.315 -5.911 -8.889 583 HB2 ALA 70 HB2 ALA 70 9.035 -6.040 -10.096 584 HB3 ALA 70 HB3 ALA 70 9.293 -7.348 -8.941 585 H THR 71 H THR 71 10.008 -4.479 -6.565 586 HA THR 71 HA THR 71 10.154 -6.691 -4.703 587 HB THR 71 HB THR 71 11.553 -4.018 -4.659 588 HG1 THR 71 HG1 THR 71 12.303 -5.217 -6.379 589 HG21 THR 71 HG21 THR 71 13.056 -5.182 -3.036 590 HG22 THR 71 HG22 THR 71 11.899 -6.515 -3.002 591 HG23 THR 71 HG23 THR 71 11.417 -4.914 -2.436 592 H LYS 72 H LYS 72 9.214 -3.234 -4.497 593 HA LYS 72 HA LYS 72 8.481 -3.304 -1.794 594 HB2 LYS 72 HB2 LYS 72 7.747 -1.514 -4.072 595 HB3 LYS 72 HB3 LYS 72 6.981 -1.316 -2.501 596 HG2 LYS 72 HG2 LYS 72 9.143 -1.019 -1.457 597 HG3 LYS 72 HG3 LYS 72 9.943 -1.250 -3.011 598 HD2 LYS 72 HD2 LYS 72 7.986 0.951 -2.377 599 HD3 LYS 72 HD3 LYS 72 9.741 1.116 -2.359 600 HE2 LYS 72 HE2 LYS 72 8.265 0.161 -4.791 601 HE3 LYS 72 HE3 LYS 72 8.495 1.879 -4.464 602 HZ1 LYS 72 HZ1 LYS 72 10.650 -0.140 -4.763 603 HZ2 LYS 72 HZ2 LYS 72 10.878 1.517 -4.473 604 HZ3 LYS 72 HZ3 LYS 72 10.193 0.999 -5.932 605 H ARG 73 H ARG 73 6.815 -4.333 -4.628 606 HA ARG 73 HA ARG 73 4.301 -4.719 -3.245 607 HB2 ARG 73 HB2 ARG 73 4.196 -4.210 -5.595 608 HB3 ARG 73 HB3 ARG 73 5.300 -5.522 -5.976 609 HG2 ARG 73 HG2 ARG 73 3.569 -7.104 -5.115 610 HG3 ARG 73 HG3 ARG 73 2.456 -5.732 -5.035 611 HD2 ARG 73 HD2 ARG 73 2.164 -6.944 -7.126 612 HD3 ARG 73 HD3 ARG 73 2.802 -5.326 -7.429 613 HE ARG 73 HE ARG 73 4.601 -7.653 -7.309 614 HH11 ARG 73 HH11 ARG 73 3.306 -4.891 -9.040 615 HH12 ARG 73 HH12 ARG 73 4.411 -5.055 -10.368 616 HH21 ARG 73 HH21 ARG 73 6.071 -7.843 -9.030 617 HH22 ARG 73 HH22 ARG 73 5.981 -6.739 -10.365 618 H ASN 74 H ASN 74 7.063 -6.538 -4.271 619 HA ASN 74 HA ASN 74 6.256 -9.127 -3.747 620 HB2 ASN 74 HB2 ASN 74 8.350 -8.517 -4.896 621 HB3 ASN 74 HB3 ASN 74 8.999 -7.925 -3.371 622 HD21 ASN 74 HD21 ASN 74 9.409 -9.418 -1.714 623 HD22 ASN 74 HD22 ASN 74 9.779 -11.056 -2.095 624 H ILE 75 H ILE 75 8.262 -7.128 -1.517 625 HA ILE 75 HA ILE 75 8.010 -9.034 0.570 626 HB ILE 75 HB ILE 75 9.180 -7.626 2.001 627 HG12 ILE 75 HG12 ILE 75 7.635 -5.692 1.865 628 HG13 ILE 75 HG13 ILE 75 9.329 -5.217 1.854 629 HG21 ILE 75 HG21 ILE 75 10.026 -6.755 -0.745 630 HG22 ILE 75 HG22 ILE 75 10.503 -8.245 0.070 631 HG23 ILE 75 HG23 ILE 75 10.999 -6.685 0.722 632 HD11 ILE 75 HD11 ILE 75 9.237 -4.848 -0.526 633 HD12 ILE 75 HD12 ILE 75 7.967 -3.930 0.287 634 HD13 ILE 75 HD13 ILE 75 7.568 -5.424 -0.572 635 H TYR 76 H TYR 76 6.074 -6.350 -0.411 636 HA TYR 76 HA TYR 76 4.603 -5.886 1.915 637 HB2 TYR 76 HB2 TYR 76 4.179 -4.283 0.339 638 HB3 TYR 76 HB3 TYR 76 4.255 -5.424 -0.996 639 HD1 TYR 76 HD1 TYR 76 2.266 -6.712 -1.637 640 HD2 TYR 76 HD2 TYR 76 2.131 -3.798 1.455 641 HE1 TYR 76 HE1 TYR 76 -0.190 -6.709 -1.752 642 HE2 TYR 76 HE2 TYR 76 -0.317 -3.780 1.347 643 HH TYR 76 HH TYR 76 -2.091 -4.341 -0.248 644 H ASP 77 H ASP 77 4.233 -8.238 -0.663 645 HA ASP 77 HA ASP 77 1.839 -9.357 0.518 646 HB2 ASP 77 HB2 ASP 77 2.011 -9.311 -1.906 647 HB3 ASP 77 HB3 ASP 77 3.505 -10.246 -1.846 648 H LYS 78 H LYS 78 5.241 -9.833 0.679 649 HA LYS 78 HA LYS 78 5.106 -12.532 1.675 650 HB2 LYS 78 HB2 LYS 78 7.388 -10.573 1.931 651 HB3 LYS 78 HB3 LYS 78 7.472 -12.312 2.152 652 HG2 LYS 78 HG2 LYS 78 6.859 -10.905 -0.427 653 HG3 LYS 78 HG3 LYS 78 8.417 -11.597 0.015 654 HD2 LYS 78 HD2 LYS 78 7.644 -13.368 -1.144 655 HD3 LYS 78 HD3 LYS 78 6.805 -13.735 0.367 656 HE2 LYS 78 HE2 LYS 78 4.846 -12.465 -0.474 657 HE3 LYS 78 HE3 LYS 78 5.691 -12.246 -2.005 658 HZ1 LYS 78 HZ1 LYS 78 4.849 -14.830 -0.813 659 HZ2 LYS 78 HZ2 LYS 78 5.763 -14.678 -2.227 660 HZ3 LYS 78 HZ3 LYS 78 4.185 -14.081 -2.175 661 H TYR 79 H TYR 79 6.171 -9.485 3.174 662 HA TYR 79 HA TYR 79 4.883 -10.316 5.679 663 HB2 TYR 79 HB2 TYR 79 7.661 -9.151 5.432 664 HB3 TYR 79 HB3 TYR 79 6.800 -9.373 6.950 665 HD1 TYR 79 HD2 TYR 79 6.339 -11.668 7.777 666 HD2 TYR 79 HD1 TYR 79 8.745 -10.967 4.343 667 HE1 TYR 79 HE2 TYR 79 7.232 -13.952 7.945 668 HE2 TYR 79 HE1 TYR 79 9.645 -13.247 4.503 669 HH TYR 79 HH TYR 79 9.962 -14.983 6.210 670 H GLY 80 H GLY 80 6.618 -7.577 4.160 671 HA2 GLY 80 HA2 GLY 80 5.809 -5.450 3.712 672 HA3 GLY 80 HA3 GLY 80 4.269 -5.908 4.432 673 H SER 81 H SER 81 5.828 -6.803 6.880 674 HA SER 81 HA SER 81 5.314 -4.581 8.461 675 HB2 SER 81 HB2 SER 81 7.260 -6.797 9.113 676 HB3 SER 81 HB3 SER 81 6.317 -5.830 10.248 677 HG SER 81 HG SER 81 4.421 -6.742 9.170 678 H LEU 82 H LEU 82 8.585 -5.917 7.923 679 HA LEU 82 HA LEU 82 9.707 -3.281 8.424 680 HB2 LEU 82 HB2 LEU 82 10.867 -4.990 9.548 681 HB3 LEU 82 HB3 LEU 82 10.869 -6.036 8.144 682 HG LEU 82 HG LEU 82 12.528 -4.611 7.052 683 HD11 LEU 82 HD11 LEU 82 12.486 -2.978 9.585 684 HD12 LEU 82 HD12 LEU 82 11.887 -2.458 8.009 685 HD13 LEU 82 HD13 LEU 82 13.605 -2.779 8.234 686 HD21 LEU 82 HD21 LEU 82 13.284 -5.398 9.858 687 HD22 LEU 82 HD22 LEU 82 14.413 -5.074 8.544 688 HD23 LEU 82 HD23 LEU 82 13.304 -6.442 8.438 689 H GLY 83 H GLY 83 9.940 -5.784 5.924 690 HA2 GLY 83 HA2 GLY 83 11.705 -4.638 4.201 691 HA3 GLY 83 HA3 GLY 83 10.408 -5.696 3.687 692 H LEU 84 H LEU 84 8.236 -3.940 4.291 693 HA LEU 84 HA LEU 84 8.231 -2.477 1.861 694 HB2 LEU 84 HB2 LEU 84 6.194 -3.437 2.844 695 HB3 LEU 84 HB3 LEU 84 6.323 -2.330 4.197 696 HG LEU 84 HG LEU 84 6.005 -0.430 2.634 697 HD11 LEU 84 HD11 LEU 84 6.846 -1.446 0.601 698 HD12 LEU 84 HD12 LEU 84 5.188 -0.896 0.367 699 HD13 LEU 84 HD13 LEU 84 5.522 -2.610 0.610 700 HD21 LEU 84 HD21 LEU 84 3.620 -0.817 2.247 701 HD22 LEU 84 HD22 LEU 84 4.114 -1.351 3.854 702 HD23 LEU 84 HD23 LEU 84 3.848 -2.535 2.573 703 H TYR 85 H TYR 85 8.103 -1.391 5.245 704 HA TYR 85 HA TYR 85 8.166 1.344 4.718 705 HB2 TYR 85 HB2 TYR 85 7.740 1.328 6.913 706 HB3 TYR 85 HB3 TYR 85 8.194 -0.367 7.007 707 HD1 TYR 85 HD2 TYR 85 10.418 -1.017 7.778 708 HD2 TYR 85 HD1 TYR 85 9.287 3.080 7.558 709 HE1 TYR 85 HE2 TYR 85 12.347 -0.415 9.179 710 HE2 TYR 85 HE1 TYR 85 11.221 3.693 8.950 711 HH TYR 85 HH TYR 85 13.768 1.561 9.605 712 H VAL 86 H VAL 86 10.823 -0.939 5.236 713 HA VAL 86 HA VAL 86 12.803 1.108 5.287 714 HB VAL 86 HB VAL 86 13.342 -0.866 6.469 715 HG11 VAL 86 HG11 VAL 86 13.450 -3.051 5.538 716 HG12 VAL 86 HG12 VAL 86 13.106 -2.439 3.921 717 HG13 VAL 86 HG13 VAL 86 11.866 -2.373 5.177 718 HG21 VAL 86 HG21 VAL 86 15.296 0.064 5.546 719 HG22 VAL 86 HG22 VAL 86 14.950 -0.613 3.955 720 HG23 VAL 86 HG23 VAL 86 15.409 -1.680 5.284 721 H ALA 87 H ALA 87 11.548 -1.068 2.778 722 HA ALA 87 HA ALA 87 13.477 -0.403 0.822 723 HB1 ALA 87 HB1 ALA 87 10.625 -1.268 0.391 724 HB2 ALA 87 HB2 ALA 87 12.012 -2.337 0.598 725 HB3 ALA 87 HB3 ALA 87 11.918 -1.276 -0.806 726 H GLU 88 H GLU 88 10.403 1.030 1.759 727 HA GLU 88 HA GLU 88 10.044 2.889 -0.283 728 HB2 GLU 88 HB2 GLU 88 9.417 3.091 2.661 729 HB3 GLU 88 HB3 GLU 88 8.876 4.261 1.471 730 HG2 GLU 88 HG2 GLU 88 7.563 2.560 0.357 731 HG3 GLU 88 HG3 GLU 88 8.156 1.341 1.487 732 H GLN 89 H GLN 89 11.663 3.329 2.839 733 HA GLN 89 HA GLN 89 12.398 6.037 2.107 734 HB2 GLN 89 HB2 GLN 89 12.881 4.530 4.679 735 HB3 GLN 89 HB3 GLN 89 13.042 6.264 4.437 736 HG2 GLN 89 HG2 GLN 89 10.664 6.457 4.026 737 HG3 GLN 89 HG3 GLN 89 10.477 4.711 4.172 738 HE21 GLN 89 HE21 GLN 89 9.030 4.885 5.863 739 HE22 GLN 89 HE22 GLN 89 9.510 5.374 7.450 740 H PHE 90 H PHE 90 13.938 2.929 2.485 741 HA PHE 90 HA PHE 90 16.565 4.232 2.374 742 HB2 PHE 90 HB2 PHE 90 15.777 1.475 3.335 743 HB3 PHE 90 HB3 PHE 90 17.451 2.025 3.178 744 HD1 PHE 90 HD1 PHE 90 14.328 2.369 5.058 745 HD2 PHE 90 HD2 PHE 90 18.370 3.641 4.709 746 HE1 PHE 90 HE1 PHE 90 14.205 3.359 7.308 747 HE2 PHE 90 HE2 PHE 90 18.258 4.632 6.957 748 HZ PHE 90 HZ PHE 90 16.174 4.492 8.260 749 H GLY 91 H GLY 91 14.469 2.040 0.620 750 HA2 GLY 91 HA2 GLY 91 14.874 1.927 -1.790 751 HA3 GLY 91 HA3 GLY 91 16.596 1.861 -1.432 752 H GLU 92 H GLU 92 14.542 0.001 -2.770 753 HA GLU 92 HA GLU 92 13.960 -2.152 -1.079 754 HB2 GLU 92 HB2 GLU 92 14.403 -2.545 -4.023 755 HB3 GLU 92 HB3 GLU 92 13.213 -3.289 -2.971 756 HG2 GLU 92 HG2 GLU 92 11.951 -1.244 -2.873 757 HG3 GLU 92 HG3 GLU 92 13.185 -0.410 -3.819 758 H GLU 93 H GLU 93 16.609 -1.759 -3.429 759 HA GLU 93 HA GLU 93 17.717 -4.339 -2.828 760 HB2 GLU 93 HB2 GLU 93 19.575 -3.651 -4.253 761 HB3 GLU 93 HB3 GLU 93 18.033 -3.307 -5.025 762 HG2 GLU 93 HG2 GLU 93 18.246 -0.959 -4.337 763 HG3 GLU 93 HG3 GLU 93 19.811 -1.328 -3.623 764 H ASN 94 H ASN 94 17.786 -1.361 -1.303 765 HA ASN 94 HA ASN 94 20.465 -1.584 -0.236 766 HB2 ASN 94 HB2 ASN 94 18.230 0.398 0.139 767 HB3 ASN 94 HB3 ASN 94 19.712 0.465 1.076 768 HD21 ASN 94 HD21 ASN 94 18.622 2.381 -0.818 769 HD22 ASN 94 HD22 ASN 94 19.817 2.580 -2.058 770 H VAL 95 H VAL 95 17.174 -1.967 0.799 771 HA VAL 95 HA VAL 95 17.171 -2.136 3.472 772 HB VAL 95 HB VAL 95 15.353 -3.642 3.430 773 HG11 VAL 95 HG11 VAL 95 14.949 -1.465 2.361 774 HG12 VAL 95 HG12 VAL 95 13.898 -2.738 1.752 775 HG13 VAL 95 HG13 VAL 95 15.279 -2.200 0.796 776 HG21 VAL 95 HG21 VAL 95 16.391 -5.452 2.152 777 HG22 VAL 95 HG22 VAL 95 16.197 -4.508 0.672 778 HG23 VAL 95 HG23 VAL 95 14.775 -5.068 1.553 779 H ASN 96 H ASN 96 18.663 -4.496 1.373 780 HA ASN 96 HA ASN 96 18.966 -6.687 3.026 781 HB2 ASN 96 HB2 ASN 96 19.557 -6.646 0.657 782 HB3 ASN 96 HB3 ASN 96 20.909 -5.572 0.997 783 HD21 ASN 96 HD21 ASN 96 19.675 -8.812 1.288 784 HD22 ASN 96 HD22 ASN 96 21.186 -9.566 1.668 785 H THR 97 H THR 97 20.421 -3.587 3.276 786 HA THR 97 HA THR 97 22.677 -4.259 4.831 787 HB THR 97 HB THR 97 22.429 -2.092 3.674 788 HG1 THR 97 HG1 THR 97 23.904 -1.863 5.239 789 HG21 THR 97 HG21 THR 97 20.342 -1.494 5.774 790 HG22 THR 97 HG22 THR 97 20.062 -1.670 4.038 791 HG23 THR 97 HG23 THR 97 21.025 -0.319 4.647 792 H TYR 98 H TYR 98 19.354 -3.411 5.700 793 HA TYR 98 HA TYR 98 19.951 -3.726 8.537 794 HB2 TYR 98 HB2 TYR 98 17.400 -2.986 7.087 795 HB3 TYR 98 HB3 TYR 98 17.528 -3.142 8.843 796 HD1 TYR 98 HD2 TYR 98 19.624 -1.753 9.831 797 HD2 TYR 98 HD1 TYR 98 17.524 -0.851 6.244 798 HE1 TYR 98 HE2 TYR 98 20.373 0.581 9.987 799 HE2 TYR 98 HE1 TYR 98 18.271 1.487 6.389 800 HH TYR 98 HH TYR 98 19.029 3.070 8.225 801 H PHE 99 H PHE 99 18.857 -5.529 5.907 802 HA PHE 99 HA PHE 99 17.534 -7.556 7.499 803 HB2 PHE 99 HB2 PHE 99 18.049 -7.145 4.573 804 HB3 PHE 99 HB3 PHE 99 17.572 -8.731 5.154 805 HD1 PHE 99 HD2 PHE 99 16.555 -5.214 4.885 806 HD2 PHE 99 HD1 PHE 99 15.339 -9.187 5.766 807 HE1 PHE 99 HE2 PHE 99 14.199 -4.504 4.835 808 HE2 PHE 99 HE1 PHE 99 12.991 -8.492 5.719 809 HZ PHE 99 HZ PHE 99 12.406 -6.155 5.250 810 H VAL 100 H VAL 100 18.408 -9.825 6.177 811 HA VAL 100 HA VAL 100 20.470 -10.730 7.715 812 HB VAL 100 HB VAL 100 19.050 -12.305 6.660 813 HG11 VAL 100 HG11 VAL 100 20.045 -11.273 4.006 814 HG12 VAL 100 HG12 VAL 100 18.435 -11.030 4.685 815 HG13 VAL 100 HG13 VAL 100 18.968 -12.651 4.233 816 HG21 VAL 100 HG21 VAL 100 20.631 -13.843 5.584 817 HG22 VAL 100 HG22 VAL 100 21.307 -13.107 7.037 818 HG23 VAL 100 HG23 VAL 100 21.799 -12.529 5.446 Start of MODEL 7 1 H1 MET -4 H1 MET -4 -26.145 -0.386 -1.731 2 H2 MET -4 H2 MET -4 -27.465 0.407 -2.421 3 H3 MET -4 H3 MET -4 -26.153 1.298 -1.840 4 HA MET -4 HA MET -4 -24.713 0.399 -3.515 5 HB2 MET -4 HB2 MET -4 -27.184 -1.042 -4.486 6 HB3 MET -4 HB3 MET -4 -25.629 -1.020 -5.298 7 HG2 MET -4 HG2 MET -4 -24.624 -2.171 -3.393 8 HG3 MET -4 HG3 MET -4 -26.195 -2.202 -2.594 9 HE1 MET -4 HE1 MET -4 -24.043 -3.515 -5.583 10 HE2 MET -4 HE2 MET -4 -25.384 -2.748 -6.433 11 HE3 MET -4 HE3 MET -4 -25.203 -4.502 -6.473 12 H ARG -3 H ARG -3 -26.578 2.645 -2.955 13 HA ARG -3 HA ARG -3 -26.845 3.612 -5.720 14 HB2 ARG -3 HB2 ARG -3 -28.766 4.090 -3.431 15 HB3 ARG -3 HB3 ARG -3 -28.840 4.911 -4.982 16 HG2 ARG -3 HG2 ARG -3 -29.189 1.956 -4.520 17 HG3 ARG -3 HG3 ARG -3 -30.469 3.120 -4.867 18 HD2 ARG -3 HD2 ARG -3 -28.213 2.283 -6.678 19 HD3 ARG -3 HD3 ARG -3 -29.933 1.955 -6.890 20 HE ARG -3 HE ARG -3 -29.792 4.670 -6.818 21 HH11 ARG -3 HH11 ARG -3 -28.286 2.173 -8.744 22 HH12 ARG -3 HH12 ARG -3 -28.034 3.203 -10.117 23 HH21 ARG -3 HH21 ARG -3 -29.473 6.030 -8.622 24 HH22 ARG -3 HH22 ARG -3 -28.705 5.401 -10.043 25 H SER -2 H SER -2 -24.851 3.871 -3.451 26 HA SER -2 HA SER -2 -25.000 6.769 -2.996 27 HB2 SER -2 HB2 SER -2 -23.313 4.765 -1.488 28 HB3 SER -2 HB3 SER -2 -23.685 6.424 -1.023 29 HG SER -2 HG SER -2 -25.907 5.757 -0.873 30 HA PRO -1 HA PRO -1 -21.709 6.760 -6.134 31 HB2 PRO -1 HB2 PRO -1 -21.864 9.657 -5.491 32 HB3 PRO -1 HB3 PRO -1 -21.900 8.851 -7.062 33 HG2 PRO -1 HG2 PRO -1 -24.121 9.876 -6.013 34 HG3 PRO -1 HG3 PRO -1 -24.157 8.339 -6.894 35 HD2 PRO -1 HD2 PRO -1 -24.224 8.835 -3.945 36 HD3 PRO -1 HD3 PRO -1 -25.113 7.635 -4.908 37 H GLY 0 H GLY 0 -19.728 6.229 -5.520 38 HA2 GLY 0 HA2 GLY 0 -17.571 6.995 -4.731 39 HA3 GLY 0 HA3 GLY 0 -18.406 7.844 -3.438 40 H MET 1 H MET 1 -20.141 5.238 -3.415 41 HA MET 1 HA MET 1 -18.419 3.893 -1.460 42 HB2 MET 1 HB2 MET 1 -21.404 3.872 -1.894 43 HB3 MET 1 HB3 MET 1 -20.595 2.775 -0.786 44 HG2 MET 1 HG2 MET 1 -20.535 5.778 -0.621 45 HG3 MET 1 HG3 MET 1 -21.552 4.716 0.351 46 HE1 MET 1 HE1 MET 1 -20.585 2.933 2.077 47 HE2 MET 1 HE2 MET 1 -18.868 2.748 2.441 48 HE3 MET 1 HE3 MET 1 -19.492 2.267 0.863 49 H ALA 2 H ALA 2 -17.276 2.297 -2.316 50 HA ALA 2 HA ALA 2 -18.148 0.826 -4.619 51 HB1 ALA 2 HB1 ALA 2 -15.805 0.342 -2.781 52 HB2 ALA 2 HB2 ALA 2 -15.781 1.313 -4.252 53 HB3 ALA 2 HB3 ALA 2 -16.067 -0.425 -4.347 54 H ASP 3 H ASP 3 -19.954 -0.346 -4.204 55 HA ASP 3 HA ASP 3 -20.137 -2.026 -1.864 56 HB2 ASP 3 HB2 ASP 3 -22.160 -0.983 -2.844 57 HB3 ASP 3 HB3 ASP 3 -21.932 -1.949 -4.298 58 H GLN 4 H GLN 4 -19.287 -3.964 -1.707 59 HA GLN 4 HA GLN 4 -18.586 -5.394 -4.171 60 HB2 GLN 4 HB2 GLN 4 -17.357 -5.522 -1.413 61 HB3 GLN 4 HB3 GLN 4 -16.921 -6.596 -2.733 62 HG2 GLN 4 HG2 GLN 4 -16.220 -4.651 -4.060 63 HG3 GLN 4 HG3 GLN 4 -16.607 -3.603 -2.698 64 HE21 GLN 4 HE21 GLN 4 -14.417 -5.965 -3.970 65 HE22 GLN 4 HE22 GLN 4 -13.167 -5.734 -2.801 66 H ARG 5 H ARG 5 -18.442 -7.894 -3.682 67 HA ARG 5 HA ARG 5 -21.118 -8.687 -3.257 68 HB2 ARG 5 HB2 ARG 5 -18.563 -10.241 -3.525 69 HB3 ARG 5 HB3 ARG 5 -20.101 -11.031 -3.316 70 HG2 ARG 5 HG2 ARG 5 -20.303 -10.990 -5.507 71 HG3 ARG 5 HG3 ARG 5 -20.553 -9.245 -5.357 72 HD2 ARG 5 HD2 ARG 5 -18.189 -8.874 -5.519 73 HD3 ARG 5 HD3 ARG 5 -17.909 -10.608 -5.604 74 HE ARG 5 HE ARG 5 -19.638 -9.549 -7.665 75 HH11 ARG 5 HH11 ARG 5 -16.337 -10.317 -6.772 76 HH12 ARG 5 HH12 ARG 5 -15.787 -10.420 -8.413 77 HH21 ARG 5 HH21 ARG 5 -18.915 -9.684 -9.812 78 HH22 ARG 5 HH22 ARG 5 -17.258 -10.068 -10.146 79 H GLN 6 H GLN 6 -18.201 -9.254 -1.357 80 HA GLN 6 HA GLN 6 -19.909 -9.499 1.021 81 HB2 GLN 6 HB2 GLN 6 -17.217 -10.795 0.567 82 HB3 GLN 6 HB3 GLN 6 -18.179 -10.917 2.028 83 HG2 GLN 6 HG2 GLN 6 -19.923 -12.087 0.786 84 HG3 GLN 6 HG3 GLN 6 -18.954 -11.966 -0.682 85 HE21 GLN 6 HE21 GLN 6 -19.919 -14.325 0.735 86 HE22 GLN 6 HE22 GLN 6 -18.510 -15.255 1.120 87 H ARG 7 H ARG 7 -19.384 -8.280 2.754 88 HA ARG 7 HA ARG 7 -17.751 -5.996 2.404 89 HB2 ARG 7 HB2 ARG 7 -19.604 -5.714 3.797 90 HB3 ARG 7 HB3 ARG 7 -19.340 -7.239 4.623 91 HG2 ARG 7 HG2 ARG 7 -18.831 -5.571 6.167 92 HG3 ARG 7 HG3 ARG 7 -17.284 -6.209 5.610 93 HD2 ARG 7 HD2 ARG 7 -17.232 -3.763 5.748 94 HD3 ARG 7 HD3 ARG 7 -17.048 -4.312 4.082 95 HE ARG 7 HE ARG 7 -19.707 -3.886 4.278 96 HH11 ARG 7 HH11 ARG 7 -16.932 -1.903 5.061 97 HH12 ARG 7 HH12 ARG 7 -17.755 -0.409 4.750 98 HH21 ARG 7 HH21 ARG 7 -20.792 -1.915 3.866 99 HH22 ARG 7 HH22 ARG 7 -19.943 -0.414 4.076 100 H SER 8 H SER 8 -17.353 -9.144 3.796 101 HA SER 8 HA SER 8 -15.057 -8.494 5.359 102 HB2 SER 8 HB2 SER 8 -16.635 -10.226 6.019 103 HB3 SER 8 HB3 SER 8 -16.223 -11.169 4.588 104 HG SER 8 HG SER 8 -14.246 -11.596 5.422 105 H LEU 9 H LEU 9 -15.567 -9.609 2.075 106 HA LEU 9 HA LEU 9 -12.874 -10.541 1.771 107 HB2 LEU 9 HB2 LEU 9 -13.337 -10.790 -0.590 108 HB3 LEU 9 HB3 LEU 9 -14.623 -11.487 0.364 109 HG LEU 9 HG LEU 9 -15.918 -9.320 -0.105 110 HD11 LEU 9 HD11 LEU 9 -14.038 -7.989 -0.932 111 HD12 LEU 9 HD12 LEU 9 -15.314 -8.136 -2.140 112 HD13 LEU 9 HD13 LEU 9 -13.846 -9.104 -2.285 113 HD21 LEU 9 HD21 LEU 9 -16.426 -11.500 -1.102 114 HD22 LEU 9 HD22 LEU 9 -15.262 -11.177 -2.386 115 HD23 LEU 9 HD23 LEU 9 -16.708 -10.179 -2.236 116 H SER 10 H SER 10 -14.405 -7.504 1.715 117 HA SER 10 HA SER 10 -12.685 -6.028 0.076 118 HB2 SER 10 HB2 SER 10 -14.843 -5.247 1.218 119 HB3 SER 10 HB3 SER 10 -13.850 -4.993 2.649 120 HG SER 10 HG SER 10 -13.730 -3.696 0.141 121 H THR 11 H THR 11 -12.452 -7.049 3.433 122 HA THR 11 HA THR 11 -9.729 -6.061 3.613 123 HB THR 11 HB THR 11 -9.962 -7.341 5.905 124 HG1 THR 11 HG1 THR 11 -12.002 -8.297 5.308 125 HG21 THR 11 HG21 THR 11 -10.950 -5.318 6.900 126 HG22 THR 11 HG22 THR 11 -11.442 -4.779 5.295 127 HG23 THR 11 HG23 THR 11 -9.730 -4.921 5.689 128 H SER 12 H SER 12 -8.506 -7.274 2.265 129 HA SER 12 HA SER 12 -8.641 -10.197 2.504 130 HB2 SER 12 HB2 SER 12 -7.225 -8.485 0.448 131 HB3 SER 12 HB3 SER 12 -7.346 -10.242 0.425 132 HG SER 12 HG SER 12 -9.754 -8.887 0.631 133 H GLY 13 H GLY 13 -7.100 -7.763 3.971 134 HA2 GLY 13 HA2 GLY 13 -5.263 -7.987 5.442 135 HA3 GLY 13 HA3 GLY 13 -4.704 -9.362 4.495 136 H GLU 14 H GLU 14 -5.638 -7.091 2.369 137 HA GLU 14 HA GLU 14 -2.896 -6.246 1.863 138 HB2 GLU 14 HB2 GLU 14 -3.754 -5.552 -0.325 139 HB3 GLU 14 HB3 GLU 14 -4.168 -7.226 0.013 140 HG2 GLU 14 HG2 GLU 14 -6.410 -6.308 0.819 141 HG3 GLU 14 HG3 GLU 14 -5.941 -4.822 -0.008 142 H SER 15 H SER 15 -2.415 -4.011 1.438 143 HA SER 15 HA SER 15 -4.206 -2.234 2.951 144 HB2 SER 15 HB2 SER 15 -1.941 -1.041 3.487 145 HB3 SER 15 HB3 SER 15 -2.397 -2.491 4.384 146 HG SER 15 HG SER 15 -0.710 -3.442 3.599 147 H LEU 16 H LEU 16 -1.412 -1.983 0.746 148 HA LEU 16 HA LEU 16 -1.861 0.645 -0.036 149 HB2 LEU 16 HB2 LEU 16 -0.504 -1.612 -1.491 150 HB3 LEU 16 HB3 LEU 16 -0.518 0.027 -2.091 151 HG LEU 16 HG LEU 16 1.577 -0.403 -1.057 152 HD11 LEU 16 HD11 LEU 16 -0.111 1.356 0.706 153 HD12 LEU 16 HD12 LEU 16 0.769 1.842 -0.744 154 HD13 LEU 16 HD13 LEU 16 1.652 1.329 0.690 155 HD21 LEU 16 HD21 LEU 16 0.918 -2.249 0.397 156 HD22 LEU 16 HD22 LEU 16 0.112 -1.104 1.472 157 HD23 LEU 16 HD23 LEU 16 1.861 -1.032 1.257 158 H TYR 17 H TYR 17 -2.768 -2.328 -1.729 159 HA TYR 17 HA TYR 17 -4.109 -1.268 -3.894 160 HB2 TYR 17 HB2 TYR 17 -4.806 -3.738 -2.293 161 HB3 TYR 17 HB3 TYR 17 -5.498 -3.350 -3.862 162 HD1 TYR 17 HD2 TYR 17 -3.960 -3.234 -5.866 163 HD2 TYR 17 HD1 TYR 17 -2.717 -4.807 -2.116 164 HE1 TYR 17 HE2 TYR 17 -2.075 -4.364 -6.971 165 HE2 TYR 17 HE1 TYR 17 -0.825 -5.938 -3.206 166 HH TYR 17 HH TYR 17 0.150 -5.241 -6.387 167 H HIS 18 H HIS 18 -5.277 -1.666 -0.588 168 HA HIS 18 HA HIS 18 -8.010 -1.188 -1.264 169 HB2 HIS 18 HB2 HIS 18 -6.988 -2.486 0.769 170 HB3 HIS 18 HB3 HIS 18 -6.980 -0.898 1.529 171 HD1 HIS 18 HD1 HIS 18 -9.048 -0.405 2.813 172 HD2 HIS 18 HD2 HIS 18 -9.747 -3.073 -0.302 173 HE1 HIS 18 HE1 HIS 18 -11.468 -1.061 3.012 174 HE2 HIS 18 HE2 HIS 18 -11.828 -2.786 1.208 175 H VAL 19 H VAL 19 -5.334 0.823 -0.248 176 HA VAL 19 HA VAL 19 -6.931 3.115 0.411 177 HB VAL 19 HB VAL 19 -5.019 4.131 0.999 178 HG11 VAL 19 HG11 VAL 19 -2.986 2.673 1.204 179 HG12 VAL 19 HG12 VAL 19 -3.902 1.419 0.365 180 HG13 VAL 19 HG13 VAL 19 -4.467 2.032 1.920 181 HG21 VAL 19 HG21 VAL 19 -3.001 4.308 -0.430 182 HG22 VAL 19 HG22 VAL 19 -4.477 4.859 -1.221 183 HG23 VAL 19 HG23 VAL 19 -3.798 3.280 -1.624 184 H LEU 20 H LEU 20 -5.653 1.720 -2.473 185 HA LEU 20 HA LEU 20 -5.863 4.186 -3.987 186 HB2 LEU 20 HB2 LEU 20 -4.005 2.381 -4.085 187 HB3 LEU 20 HB3 LEU 20 -5.125 1.515 -5.109 188 HG LEU 20 HG LEU 20 -4.918 3.008 -6.846 189 HD11 LEU 20 HD11 LEU 20 -3.825 5.254 -6.529 190 HD12 LEU 20 HD12 LEU 20 -3.993 4.992 -4.791 191 HD13 LEU 20 HD13 LEU 20 -5.425 5.060 -5.824 192 HD21 LEU 20 HD21 LEU 20 -2.246 3.122 -5.456 193 HD22 LEU 20 HD22 LEU 20 -2.538 3.379 -7.176 194 HD23 LEU 20 HD23 LEU 20 -2.827 1.793 -6.461 195 H GLY 21 H GLY 21 -7.800 1.528 -3.256 196 HA2 GLY 21 HA2 GLY 21 -10.038 1.260 -3.758 197 HA3 GLY 21 HA3 GLY 21 -9.913 2.593 -4.894 198 H LEU 22 H LEU 22 -7.591 0.128 -5.291 199 HA LEU 22 HA LEU 22 -9.210 -1.109 -7.408 200 HB2 LEU 22 HB2 LEU 22 -6.905 -1.607 -8.453 201 HB3 LEU 22 HB3 LEU 22 -7.585 -0.007 -8.637 202 HG LEU 22 HG LEU 22 -6.153 0.583 -6.555 203 HD11 LEU 22 HD11 LEU 22 -4.077 -0.708 -6.401 204 HD12 LEU 22 HD12 LEU 22 -4.735 -1.886 -7.538 205 HD13 LEU 22 HD13 LEU 22 -5.489 -1.667 -5.958 206 HD21 LEU 22 HD21 LEU 22 -5.813 1.465 -8.796 207 HD22 LEU 22 HD22 LEU 22 -4.878 0.030 -9.224 208 HD23 LEU 22 HD23 LEU 22 -4.283 1.138 -7.987 209 H ASP 23 H ASP 23 -8.447 -3.318 -7.975 210 HA ASP 23 HA ASP 23 -8.107 -4.824 -5.504 211 HB2 ASP 23 HB2 ASP 23 -8.714 -5.781 -8.312 212 HB3 ASP 23 HB3 ASP 23 -8.721 -6.779 -6.864 213 H LYS 24 H LYS 24 -6.794 -6.963 -5.951 214 HA LYS 24 HA LYS 24 -4.102 -6.053 -6.356 215 HB2 LYS 24 HB2 LYS 24 -3.488 -8.276 -5.562 216 HB3 LYS 24 HB3 LYS 24 -4.692 -7.548 -4.508 217 HG2 LYS 24 HG2 LYS 24 -6.124 -8.987 -6.435 218 HG3 LYS 24 HG3 LYS 24 -4.791 -10.017 -5.946 219 HD2 LYS 24 HD2 LYS 24 -6.471 -10.563 -4.434 220 HD3 LYS 24 HD3 LYS 24 -5.472 -9.414 -3.544 221 HE2 LYS 24 HE2 LYS 24 -7.039 -7.612 -4.219 222 HE3 LYS 24 HE3 LYS 24 -8.067 -8.836 -4.964 223 HZ1 LYS 24 HZ1 LYS 24 -8.913 -8.391 -2.810 224 HZ2 LYS 24 HZ2 LYS 24 -7.387 -8.548 -2.091 225 HZ3 LYS 24 HZ3 LYS 24 -8.173 -9.911 -2.728 226 H ASN 25 H ASN 25 -6.159 -6.498 -8.596 227 HA ASN 25 HA ASN 25 -4.474 -8.205 -10.300 228 HB2 ASN 25 HB2 ASN 25 -7.453 -7.704 -10.442 229 HB3 ASN 25 HB3 ASN 25 -6.538 -8.564 -11.675 230 HD21 ASN 25 HD21 ASN 25 -8.001 -8.726 -8.571 231 HD22 ASN 25 HD22 ASN 25 -7.690 -10.399 -8.275 232 H ALA 26 H ALA 26 -4.810 -5.193 -9.560 233 HA ALA 26 HA ALA 26 -5.318 -3.913 -12.071 234 HB1 ALA 26 HB1 ALA 26 -5.679 -2.650 -10.053 235 HB2 ALA 26 HB2 ALA 26 -4.346 -1.905 -10.952 236 HB3 ALA 26 HB3 ALA 26 -4.009 -2.914 -9.543 237 H THR 27 H THR 27 -3.658 -2.582 -13.165 238 HA THR 27 HA THR 27 -1.005 -3.863 -13.062 239 HB THR 27 HB THR 27 -2.264 -4.322 -15.186 240 HG1 THR 27 HG1 THR 27 -0.241 -4.466 -15.775 241 HG21 THR 27 HG21 THR 27 -1.960 -1.347 -15.604 242 HG22 THR 27 HG22 THR 27 -3.479 -2.218 -15.380 243 HG23 THR 27 HG23 THR 27 -2.501 -2.505 -16.820 244 H SER 28 H SER 28 0.652 -2.243 -14.163 245 HA SER 28 HA SER 28 1.124 -0.171 -12.451 246 HB2 SER 28 HB2 SER 28 1.870 -0.287 -15.381 247 HB3 SER 28 HB3 SER 28 2.649 0.723 -14.162 248 HG SER 28 HG SER 28 3.621 -0.978 -13.324 249 H ASP 29 H ASP 29 -0.698 -0.079 -15.442 250 HA ASP 29 HA ASP 29 -1.118 2.683 -15.578 251 HB2 ASP 29 HB2 ASP 29 -2.744 0.389 -16.665 252 HB3 ASP 29 HB3 ASP 29 -3.081 2.077 -17.033 253 H ASP 30 H ASP 30 -3.134 0.129 -14.056 254 HA ASP 30 HA ASP 30 -5.272 1.901 -13.443 255 HB2 ASP 30 HB2 ASP 30 -4.468 -0.764 -12.280 256 HB3 ASP 30 HB3 ASP 30 -5.957 0.073 -11.850 257 H ILE 31 H ILE 31 -2.438 0.748 -11.758 258 HA ILE 31 HA ILE 31 -3.015 1.784 -9.211 259 HB ILE 31 HB ILE 31 -0.398 1.070 -10.528 260 HG12 ILE 31 HG12 ILE 31 -1.758 -0.526 -8.401 261 HG13 ILE 31 HG13 ILE 31 -2.397 -0.591 -10.039 262 HG21 ILE 31 HG21 ILE 31 -0.955 1.561 -7.604 263 HG22 ILE 31 HG22 ILE 31 0.000 2.599 -8.663 264 HG23 ILE 31 HG23 ILE 31 0.561 0.969 -8.285 265 HD11 ILE 31 HD11 ILE 31 -0.856 -2.416 -9.581 266 HD12 ILE 31 HD12 ILE 31 0.424 -1.249 -9.241 267 HD13 ILE 31 HD13 ILE 31 -0.261 -1.360 -10.864 268 H LYS 32 H LYS 32 -1.210 3.136 -11.950 269 HA LYS 32 HA LYS 32 -0.385 5.442 -10.475 270 HB2 LYS 32 HB2 LYS 32 -0.328 4.885 -13.441 271 HB3 LYS 32 HB3 LYS 32 0.431 6.268 -12.660 272 HG2 LYS 32 HG2 LYS 32 1.919 4.835 -11.441 273 HG3 LYS 32 HG3 LYS 32 1.088 3.398 -12.038 274 HD2 LYS 32 HD2 LYS 32 1.756 4.029 -14.341 275 HD3 LYS 32 HD3 LYS 32 2.672 5.382 -13.669 276 HE2 LYS 32 HE2 LYS 32 4.027 3.806 -12.370 277 HE3 LYS 32 HE3 LYS 32 3.124 2.460 -13.058 278 HZ1 LYS 32 HZ1 LYS 32 5.207 2.772 -14.209 279 HZ2 LYS 32 HZ2 LYS 32 4.820 4.379 -14.561 280 HZ3 LYS 32 HZ3 LYS 32 3.925 3.124 -15.253 281 H LYS 33 H LYS 33 -2.981 4.794 -12.810 282 HA LYS 33 HA LYS 33 -3.917 7.449 -12.929 283 HB2 LYS 33 HB2 LYS 33 -5.468 4.881 -13.299 284 HB3 LYS 33 HB3 LYS 33 -6.011 6.483 -13.782 285 HG2 LYS 33 HG2 LYS 33 -3.910 6.589 -15.202 286 HG3 LYS 33 HG3 LYS 33 -3.757 4.862 -14.907 287 HD2 LYS 33 HD2 LYS 33 -6.188 6.172 -16.113 288 HD3 LYS 33 HD3 LYS 33 -4.900 5.406 -17.043 289 HE2 LYS 33 HE2 LYS 33 -5.359 3.283 -15.891 290 HE3 LYS 33 HE3 LYS 33 -6.672 4.059 -15.006 291 HZ1 LYS 33 HZ1 LYS 33 -7.791 4.482 -17.100 292 HZ2 LYS 33 HZ2 LYS 33 -7.487 2.830 -16.920 293 HZ3 LYS 33 HZ3 LYS 33 -6.527 3.756 -17.957 294 H SER 34 H SER 34 -5.081 4.698 -10.957 295 HA SER 34 HA SER 34 -7.015 6.065 -9.519 296 HB2 SER 34 HB2 SER 34 -5.312 3.793 -8.466 297 HB3 SER 34 HB3 SER 34 -6.896 4.291 -7.874 298 HG SER 34 HG SER 34 -6.221 2.985 -10.274 299 H TYR 35 H TYR 35 -3.562 5.864 -9.032 300 HA TYR 35 HA TYR 35 -3.292 7.095 -6.577 301 HB2 TYR 35 HB2 TYR 35 -1.316 6.312 -7.583 302 HB3 TYR 35 HB3 TYR 35 -1.624 7.191 -9.081 303 HD1 TYR 35 HD1 TYR 35 -1.271 8.044 -5.437 304 HD2 TYR 35 HD2 TYR 35 -0.195 8.970 -9.448 305 HE1 TYR 35 HE1 TYR 35 0.108 9.889 -4.627 306 HE2 TYR 35 HE2 TYR 35 1.204 10.825 -8.642 307 HH TYR 35 HH TYR 35 1.344 12.295 -6.651 308 H ARG 36 H ARG 36 -3.551 8.615 -9.770 309 HA ARG 36 HA ARG 36 -3.365 11.267 -8.886 310 HB2 ARG 36 HB2 ARG 36 -4.804 10.178 -11.311 311 HB3 ARG 36 HB3 ARG 36 -4.337 11.856 -11.067 312 HG2 ARG 36 HG2 ARG 36 -2.400 9.557 -11.196 313 HG3 ARG 36 HG3 ARG 36 -2.819 10.590 -12.565 314 HD2 ARG 36 HD2 ARG 36 -1.943 12.527 -11.422 315 HD3 ARG 36 HD3 ARG 36 -1.656 11.580 -9.962 316 HE ARG 36 HE ARG 36 -0.273 10.443 -12.149 317 HH11 ARG 36 HH11 ARG 36 -0.168 13.209 -10.000 318 HH12 ARG 36 HH12 ARG 36 1.559 13.367 -10.082 319 HH21 ARG 36 HH21 ARG 36 1.991 10.643 -12.264 320 HH22 ARG 36 HH22 ARG 36 2.790 11.911 -11.392 321 H LYS 37 H LYS 37 -6.268 9.412 -9.788 322 HA LYS 37 HA LYS 37 -8.188 11.296 -9.290 323 HB2 LYS 37 HB2 LYS 37 -9.041 8.644 -8.422 324 HB3 LYS 37 HB3 LYS 37 -9.624 9.638 -9.751 325 HG2 LYS 37 HG2 LYS 37 -7.744 8.937 -11.102 326 HG3 LYS 37 HG3 LYS 37 -7.147 7.978 -9.758 327 HD2 LYS 37 HD2 LYS 37 -9.625 7.546 -11.370 328 HD3 LYS 37 HD3 LYS 37 -8.197 6.511 -11.232 329 HE2 LYS 37 HE2 LYS 37 -8.754 6.111 -8.864 330 HE3 LYS 37 HE3 LYS 37 -10.198 7.100 -9.051 331 HZ1 LYS 37 HZ1 LYS 37 -10.677 4.731 -9.228 332 HZ2 LYS 37 HZ2 LYS 37 -9.638 4.604 -10.554 333 HZ3 LYS 37 HZ3 LYS 37 -11.042 5.542 -10.666 334 H LEU 38 H LEU 38 -6.505 9.337 -6.909 335 HA LEU 38 HA LEU 38 -8.229 10.328 -4.779 336 HB2 LEU 38 HB2 LEU 38 -5.878 8.448 -4.776 337 HB3 LEU 38 HB3 LEU 38 -6.798 8.891 -3.350 338 HG LEU 38 HG LEU 38 -7.976 7.501 -5.751 339 HD11 LEU 38 HD11 LEU 38 -7.209 6.326 -3.089 340 HD12 LEU 38 HD12 LEU 38 -6.259 6.161 -4.563 341 HD13 LEU 38 HD13 LEU 38 -7.879 5.472 -4.480 342 HD21 LEU 38 HD21 LEU 38 -9.830 7.033 -4.188 343 HD22 LEU 38 HD22 LEU 38 -9.616 8.757 -4.491 344 HD23 LEU 38 HD23 LEU 38 -9.041 8.049 -2.982 345 H ALA 39 H ALA 39 -4.981 10.686 -6.003 346 HA ALA 39 HA ALA 39 -3.689 11.925 -3.911 347 HB1 ALA 39 HB1 ALA 39 -2.576 11.155 -5.940 348 HB2 ALA 39 HB2 ALA 39 -2.137 12.817 -5.544 349 HB3 ALA 39 HB3 ALA 39 -3.292 12.495 -6.837 350 H LEU 40 H LEU 40 -5.598 13.549 -6.475 351 HA LEU 40 HA LEU 40 -5.097 16.090 -5.237 352 HB2 LEU 40 HB2 LEU 40 -7.136 16.805 -6.765 353 HB3 LEU 40 HB3 LEU 40 -5.504 16.674 -7.356 354 HG LEU 40 HG LEU 40 -7.363 15.809 -8.834 355 HD11 LEU 40 HD11 LEU 40 -5.072 13.995 -8.152 356 HD12 LEU 40 HD12 LEU 40 -5.064 15.330 -9.303 357 HD13 LEU 40 HD13 LEU 40 -6.043 13.897 -9.620 358 HD21 LEU 40 HD21 LEU 40 -8.216 13.604 -8.489 359 HD22 LEU 40 HD22 LEU 40 -8.618 14.608 -7.095 360 HD23 LEU 40 HD23 LEU 40 -7.299 13.442 -6.993 361 H LYS 41 H LYS 41 -7.774 13.855 -5.326 362 HA LYS 41 HA LYS 41 -9.709 15.086 -3.864 363 HB2 LYS 41 HB2 LYS 41 -9.985 12.874 -4.786 364 HB3 LYS 41 HB3 LYS 41 -8.740 12.229 -3.731 365 HG2 LYS 41 HG2 LYS 41 -10.182 12.711 -1.791 366 HG3 LYS 41 HG3 LYS 41 -11.443 13.252 -2.899 367 HD2 LYS 41 HD2 LYS 41 -11.411 11.021 -3.964 368 HD3 LYS 41 HD3 LYS 41 -10.230 10.496 -2.763 369 HE2 LYS 41 HE2 LYS 41 -12.456 9.784 -2.121 370 HE3 LYS 41 HE3 LYS 41 -11.838 10.981 -0.984 371 HZ1 LYS 41 HZ1 LYS 41 -14.165 11.369 -1.600 372 HZ2 LYS 41 HZ2 LYS 41 -13.707 11.579 -3.215 373 HZ3 LYS 41 HZ3 LYS 41 -13.171 12.665 -2.034 374 H TYR 42 H TYR 42 -6.793 13.514 -2.617 375 HA TYR 42 HA TYR 42 -7.394 14.649 0.035 376 HB2 TYR 42 HB2 TYR 42 -5.808 12.213 -0.771 377 HB3 TYR 42 HB3 TYR 42 -5.694 12.922 0.839 378 HD1 TYR 42 HD2 TYR 42 -7.803 13.028 2.264 379 HD2 TYR 42 HD1 TYR 42 -7.571 10.776 -1.336 380 HE1 TYR 42 HE2 TYR 42 -9.789 11.744 2.937 381 HE2 TYR 42 HE1 TYR 42 -9.553 9.490 -0.668 382 HH TYR 42 HH TYR 42 -10.744 8.879 1.368 383 H HIS 43 H HIS 43 -6.172 16.066 -2.199 384 HA HIS 43 HA HIS 43 -3.377 16.253 -1.888 385 HB2 HIS 43 HB2 HIS 43 -5.093 17.198 -3.726 386 HB3 HIS 43 HB3 HIS 43 -4.892 18.654 -2.756 387 HD1 HIS 43 HD1 HIS 43 -3.024 20.102 -3.494 388 HD2 HIS 43 HD2 HIS 43 -2.383 16.118 -4.511 389 HE1 HIS 43 HE1 HIS 43 -0.870 20.070 -4.790 390 HE2 HIS 43 HE2 HIS 43 -0.518 17.660 -5.429 391 HA PRO 44 HA PRO 44 -2.572 17.966 1.977 392 HB2 PRO 44 HB2 PRO 44 -0.974 20.142 1.075 393 HB3 PRO 44 HB3 PRO 44 -0.435 18.578 1.672 394 HG2 PRO 44 HG2 PRO 44 -0.804 19.523 -1.106 395 HG3 PRO 44 HG3 PRO 44 0.318 18.309 -0.465 396 HD2 PRO 44 HD2 PRO 44 -1.821 17.612 -1.882 397 HD3 PRO 44 HD3 PRO 44 -1.296 16.638 -0.494 398 H ASP 45 H ASP 45 -3.476 20.471 -0.420 399 HA ASP 45 HA ASP 45 -3.968 22.389 1.640 400 HB2 ASP 45 HB2 ASP 45 -3.293 23.144 -0.568 401 HB3 ASP 45 HB3 ASP 45 -4.722 22.411 -1.285 402 H LYS 46 H LYS 46 -5.766 19.829 0.358 403 HA LYS 46 HA LYS 46 -8.368 20.907 0.962 404 HB2 LYS 46 HB2 LYS 46 -7.501 18.049 0.520 405 HB3 LYS 46 HB3 LYS 46 -9.146 18.641 0.512 406 HG2 LYS 46 HG2 LYS 46 -8.205 20.194 -1.394 407 HG3 LYS 46 HG3 LYS 46 -7.029 18.896 -1.534 408 HD2 LYS 46 HD2 LYS 46 -8.781 17.263 -1.840 409 HD3 LYS 46 HD3 LYS 46 -10.017 18.492 -1.582 410 HE2 LYS 46 HE2 LYS 46 -8.002 18.685 -3.799 411 HE3 LYS 46 HE3 LYS 46 -9.517 17.804 -3.992 412 HZ1 LYS 46 HZ1 LYS 46 -9.258 20.681 -3.281 413 HZ2 LYS 46 HZ2 LYS 46 -10.714 19.842 -3.479 414 HZ3 LYS 46 HZ3 LYS 46 -9.684 20.073 -4.799 415 H ASN 47 H ASN 47 -5.918 20.187 2.947 416 HA ASN 47 HA ASN 47 -7.429 18.419 4.742 417 HB2 ASN 47 HB2 ASN 47 -4.475 18.976 4.776 418 HB3 ASN 47 HB3 ASN 47 -5.316 17.766 5.710 419 HD21 ASN 47 HD21 ASN 47 -5.849 18.457 2.295 420 HD22 ASN 47 HD22 ASN 47 -5.296 16.916 1.745 421 HA PRO 48 HA PRO 48 -7.529 21.861 7.652 422 HB2 PRO 48 HB2 PRO 48 -8.989 19.900 9.260 423 HB3 PRO 48 HB3 PRO 48 -9.519 21.478 8.674 424 HG2 PRO 48 HG2 PRO 48 -10.533 19.193 7.686 425 HG3 PRO 48 HG3 PRO 48 -10.279 20.621 6.663 426 HD2 PRO 48 HD2 PRO 48 -8.567 18.169 6.946 427 HD3 PRO 48 HD3 PRO 48 -9.064 19.029 5.470 428 H ASP 49 H ASP 49 -7.803 20.946 10.320 429 HA ASP 49 HA ASP 49 -5.088 20.835 11.009 430 HB2 ASP 49 HB2 ASP 49 -6.958 21.851 12.299 431 HB3 ASP 49 HB3 ASP 49 -7.481 20.228 12.739 432 H ASN 50 H ASN 50 -7.532 18.371 10.647 433 HA ASN 50 HA ASN 50 -6.156 16.293 12.005 434 HB2 ASN 50 HB2 ASN 50 -7.775 14.793 10.931 435 HB3 ASN 50 HB3 ASN 50 -8.581 16.201 11.609 436 HD21 ASN 50 HD21 ASN 50 -9.268 14.305 9.404 437 HD22 ASN 50 HD22 ASN 50 -9.584 15.312 8.031 438 HA PRO 51 HA PRO 51 -3.345 15.221 8.677 439 HB2 PRO 51 HB2 PRO 51 -2.037 13.256 9.930 440 HB3 PRO 51 HB3 PRO 51 -1.843 14.942 10.428 441 HG2 PRO 51 HG2 PRO 51 -3.471 12.771 11.675 442 HG3 PRO 51 HG3 PRO 51 -2.507 14.039 12.454 443 HD2 PRO 51 HD2 PRO 51 -5.260 14.116 12.088 444 HD3 PRO 51 HD3 PRO 51 -4.230 15.525 12.395 445 H GLU 52 H GLU 52 -6.120 13.967 9.156 446 HA GLU 52 HA GLU 52 -6.010 11.188 8.690 447 HB2 GLU 52 HB2 GLU 52 -7.974 12.381 9.589 448 HB3 GLU 52 HB3 GLU 52 -8.166 13.202 8.043 449 HG2 GLU 52 HG2 GLU 52 -8.591 11.040 6.967 450 HG3 GLU 52 HG3 GLU 52 -8.450 10.245 8.536 451 H ALA 53 H ALA 53 -6.779 13.891 6.561 452 HA ALA 53 HA ALA 53 -6.875 12.356 4.192 453 HB1 ALA 53 HB1 ALA 53 -6.931 14.555 3.080 454 HB2 ALA 53 HB2 ALA 53 -6.549 15.318 4.625 455 HB3 ALA 53 HB3 ALA 53 -8.066 14.443 4.428 456 H ALA 54 H ALA 54 -4.341 13.858 5.982 457 HA ALA 54 HA ALA 54 -2.377 13.910 3.921 458 HB1 ALA 54 HB1 ALA 54 -2.057 13.904 6.920 459 HB2 ALA 54 HB2 ALA 54 -2.177 15.328 5.887 460 HB3 ALA 54 HB3 ALA 54 -0.782 14.256 5.752 461 H ASP 55 H ASP 55 -3.224 11.661 6.505 462 HA ASP 55 HA ASP 55 -1.257 9.696 6.071 463 HB2 ASP 55 HB2 ASP 55 -3.244 9.971 7.846 464 HB3 ASP 55 HB3 ASP 55 -4.024 8.882 6.727 465 H LYS 56 H LYS 56 -4.518 10.077 4.923 466 HA LYS 56 HA LYS 56 -4.825 7.987 3.176 467 HB2 LYS 56 HB2 LYS 56 -5.862 10.693 3.524 468 HB3 LYS 56 HB3 LYS 56 -6.088 10.039 1.902 469 HG2 LYS 56 HG2 LYS 56 -7.135 8.995 4.515 470 HG3 LYS 56 HG3 LYS 56 -8.032 9.602 3.128 471 HD2 LYS 56 HD2 LYS 56 -6.475 7.022 3.292 472 HD3 LYS 56 HD3 LYS 56 -8.225 7.212 3.201 473 HE2 LYS 56 HE2 LYS 56 -8.029 8.131 0.961 474 HE3 LYS 56 HE3 LYS 56 -6.272 8.001 1.047 475 HZ1 LYS 56 HZ1 LYS 56 -6.516 5.597 1.300 476 HZ2 LYS 56 HZ2 LYS 56 -7.190 6.144 -0.161 477 HZ3 LYS 56 HZ3 LYS 56 -8.196 5.744 1.137 478 H PHE 57 H PHE 57 -3.841 11.282 2.228 479 HA PHE 57 HA PHE 57 -3.045 10.689 -0.347 480 HB2 PHE 57 HB2 PHE 57 -3.211 12.986 0.602 481 HB3 PHE 57 HB3 PHE 57 -1.686 12.702 1.443 482 HD1 PHE 57 HD1 PHE 57 -2.089 11.279 -1.862 483 HD2 PHE 57 HD2 PHE 57 -0.776 14.712 0.281 484 HE1 PHE 57 HE1 PHE 57 -0.845 12.045 -3.841 485 HE2 PHE 57 HE2 PHE 57 0.469 15.475 -1.683 486 HZ PHE 57 HZ PHE 57 0.396 14.191 -3.757 487 H LYS 58 H LYS 58 -1.269 10.352 2.615 488 HA LYS 58 HA LYS 58 1.269 9.818 1.577 489 HB2 LYS 58 HB2 LYS 58 0.434 10.304 3.973 490 HB3 LYS 58 HB3 LYS 58 0.198 8.571 4.091 491 HG2 LYS 58 HG2 LYS 58 2.530 8.173 3.741 492 HG3 LYS 58 HG3 LYS 58 2.822 9.875 3.396 493 HD2 LYS 58 HD2 LYS 58 1.967 8.656 6.019 494 HD3 LYS 58 HD3 LYS 58 3.521 9.405 5.648 495 HE2 LYS 58 HE2 LYS 58 0.863 10.824 5.604 496 HE3 LYS 58 HE3 LYS 58 2.004 10.873 6.947 497 HZ1 LYS 58 HZ1 LYS 58 2.500 11.874 4.190 498 HZ2 LYS 58 HZ2 LYS 58 3.634 11.878 5.442 499 HZ3 LYS 58 HZ3 LYS 58 2.240 12.823 5.566 500 H GLU 59 H GLU 59 -1.410 7.611 2.384 501 HA GLU 59 HA GLU 59 0.060 5.259 1.645 502 HB2 GLU 59 HB2 GLU 59 -2.221 4.172 1.785 503 HB3 GLU 59 HB3 GLU 59 -1.570 4.861 3.256 504 HG2 GLU 59 HG2 GLU 59 -2.967 6.787 3.018 505 HG3 GLU 59 HG3 GLU 59 -3.552 6.213 1.462 506 H ILE 60 H ILE 60 -2.233 7.375 -0.045 507 HA ILE 60 HA ILE 60 -2.559 5.771 -2.362 508 HB ILE 60 HB ILE 60 -2.310 8.769 -2.509 509 HG12 ILE 60 HG12 ILE 60 -4.893 7.352 -1.873 510 HG13 ILE 60 HG13 ILE 60 -3.867 8.035 -0.613 511 HG21 ILE 60 HG21 ILE 60 -2.566 7.228 -4.530 512 HG22 ILE 60 HG22 ILE 60 -3.630 8.627 -4.416 513 HG23 ILE 60 HG23 ILE 60 -4.232 7.024 -3.993 514 HD11 ILE 60 HD11 ILE 60 -5.628 9.585 -1.189 515 HD12 ILE 60 HD12 ILE 60 -5.143 9.542 -2.886 516 HD13 ILE 60 HD13 ILE 60 -4.069 10.239 -1.687 517 H ASN 61 H ASN 61 -0.363 8.411 -1.619 518 HA ASN 61 HA ASN 61 1.190 8.357 -3.946 519 HB2 ASN 61 HB2 ASN 61 1.000 10.131 -2.091 520 HB3 ASN 61 HB3 ASN 61 2.183 9.163 -1.210 521 HD21 ASN 61 HD21 ASN 61 2.398 11.852 -2.129 522 HD22 ASN 61 HD22 ASN 61 3.751 11.920 -3.208 523 H ASN 62 H ASN 62 1.403 6.608 -0.921 524 HA ASN 62 HA ASN 62 3.902 5.358 -1.399 525 HB2 ASN 62 HB2 ASN 62 2.359 5.551 0.777 526 HB3 ASN 62 HB3 ASN 62 1.840 3.964 0.221 527 HD21 ASN 62 HD21 ASN 62 3.171 2.253 0.443 528 HD22 ASN 62 HD22 ASN 62 4.699 2.322 1.241 529 H ALA 63 H ALA 63 0.577 4.088 -1.636 530 HA ALA 63 HA ALA 63 1.137 1.600 -2.703 531 HB1 ALA 63 HB1 ALA 63 -1.258 3.342 -3.269 532 HB2 ALA 63 HB2 ALA 63 -1.068 2.240 -1.903 533 HB3 ALA 63 HB3 ALA 63 -1.161 1.602 -3.544 534 H HIS 64 H HIS 64 0.743 4.661 -4.371 535 HA HIS 64 HA HIS 64 0.755 3.887 -7.011 536 HB2 HIS 64 HB2 HIS 64 0.420 6.169 -6.451 537 HB3 HIS 64 HB3 HIS 64 1.966 6.272 -5.622 538 HD1 HIS 64 HD1 HIS 64 3.397 7.799 -6.906 539 HD2 HIS 64 HD2 HIS 64 1.211 5.299 -9.401 540 HE1 HIS 64 HE1 HIS 64 4.087 8.409 -9.238 541 HE2 HIS 64 HE2 HIS 64 2.922 6.737 -10.712 542 H ALA 65 H ALA 65 3.490 4.129 -4.800 543 HA ALA 65 HA ALA 65 5.365 3.497 -6.940 544 HB1 ALA 65 HB1 ALA 65 7.096 3.884 -5.269 545 HB2 ALA 65 HB2 ALA 65 5.862 4.061 -4.022 546 HB3 ALA 65 HB3 ALA 65 5.968 5.238 -5.331 547 H ILE 66 H ILE 66 3.530 1.885 -4.589 548 HA ILE 66 HA ILE 66 5.448 -0.206 -4.066 549 HB ILE 66 HB ILE 66 2.534 -0.155 -3.292 550 HG12 ILE 66 HG12 ILE 66 3.488 1.789 -2.308 551 HG13 ILE 66 HG13 ILE 66 3.409 0.570 -1.044 552 HG21 ILE 66 HG21 ILE 66 3.242 -1.727 -1.535 553 HG22 ILE 66 HG22 ILE 66 4.865 -1.741 -2.229 554 HG23 ILE 66 HG23 ILE 66 3.502 -2.360 -3.160 555 HD11 ILE 66 HD11 ILE 66 5.865 1.306 -2.613 556 HD12 ILE 66 HD12 ILE 66 5.776 0.129 -1.298 557 HD13 ILE 66 HD13 ILE 66 5.479 1.840 -0.974 558 H LEU 67 H LEU 67 2.227 -0.067 -5.624 559 HA LEU 67 HA LEU 67 2.247 -2.884 -6.072 560 HB2 LEU 67 HB2 LEU 67 0.426 -0.753 -7.160 561 HB3 LEU 67 HB3 LEU 67 0.190 -2.465 -7.414 562 HG LEU 67 HG LEU 67 -1.080 -2.489 -5.595 563 HD11 LEU 67 HD11 LEU 67 -0.070 -2.333 -3.370 564 HD12 LEU 67 HD12 LEU 67 1.399 -1.677 -4.089 565 HD13 LEU 67 HD13 LEU 67 0.893 -3.325 -4.465 566 HD21 LEU 67 HD21 LEU 67 -1.463 -0.115 -5.959 567 HD22 LEU 67 HD22 LEU 67 -0.066 0.269 -4.954 568 HD23 LEU 67 HD23 LEU 67 -1.477 -0.513 -4.240 569 H THR 68 H THR 68 3.396 -0.211 -7.927 570 HA THR 68 HA THR 68 3.670 -1.971 -10.256 571 HB THR 68 HB THR 68 2.590 0.170 -10.754 572 HG1 THR 68 HG1 THR 68 5.211 -0.206 -11.809 573 HG21 THR 68 HG21 THR 68 3.635 1.531 -9.012 574 HG22 THR 68 HG22 THR 68 3.818 2.266 -10.606 575 HG23 THR 68 HG23 THR 68 5.179 1.429 -9.856 576 H ASP 69 H ASP 69 5.279 -1.757 -7.666 577 HA ASP 69 HA ASP 69 7.918 -1.623 -8.972 578 HB2 ASP 69 HB2 ASP 69 7.591 -0.007 -7.080 579 HB3 ASP 69 HB3 ASP 69 7.310 -1.392 -6.018 580 H ALA 70 H ALA 70 9.283 -3.361 -8.718 581 HA ALA 70 HA ALA 70 8.027 -5.873 -8.345 582 HB1 ALA 70 HB1 ALA 70 9.839 -5.603 -9.926 583 HB2 ALA 70 HB2 ALA 70 10.265 -6.806 -8.708 584 HB3 ALA 70 HB3 ALA 70 10.945 -5.183 -8.618 585 H THR 71 H THR 71 10.351 -4.014 -6.397 586 HA THR 71 HA THR 71 10.582 -6.178 -4.489 587 HB THR 71 HB THR 71 11.763 -3.398 -4.470 588 HG1 THR 71 HG1 THR 71 12.897 -4.502 -5.951 589 HG21 THR 71 HG21 THR 71 13.198 -4.287 -2.648 590 HG22 THR 71 HG22 THR 71 12.180 -5.731 -2.605 591 HG23 THR 71 HG23 THR 71 11.495 -4.154 -2.204 592 H LYS 72 H LYS 72 9.215 -2.867 -4.499 593 HA LYS 72 HA LYS 72 8.489 -2.860 -1.780 594 HB2 LYS 72 HB2 LYS 72 7.863 -1.218 -4.133 595 HB3 LYS 72 HB3 LYS 72 6.609 -1.238 -2.907 596 HG2 LYS 72 HG2 LYS 72 7.750 0.408 -1.943 597 HG3 LYS 72 HG3 LYS 72 8.864 -0.849 -1.414 598 HD2 LYS 72 HD2 LYS 72 10.069 0.993 -2.429 599 HD3 LYS 72 HD3 LYS 72 10.229 -0.461 -3.412 600 HE2 LYS 72 HE2 LYS 72 8.648 0.342 -4.993 601 HE3 LYS 72 HE3 LYS 72 8.206 1.698 -3.953 602 HZ1 LYS 72 HZ1 LYS 72 10.912 1.306 -5.121 603 HZ2 LYS 72 HZ2 LYS 72 10.342 2.672 -4.298 604 HZ3 LYS 72 HZ3 LYS 72 9.715 2.281 -5.816 605 H ARG 73 H ARG 73 6.990 -4.246 -4.557 606 HA ARG 73 HA ARG 73 4.543 -4.877 -3.130 607 HB2 ARG 73 HB2 ARG 73 4.316 -4.444 -5.485 608 HB3 ARG 73 HB3 ARG 73 5.572 -5.610 -5.872 609 HG2 ARG 73 HG2 ARG 73 4.129 -7.416 -5.060 610 HG3 ARG 73 HG3 ARG 73 2.856 -6.234 -4.737 611 HD2 ARG 73 HD2 ARG 73 2.537 -7.385 -6.889 612 HD3 ARG 73 HD3 ARG 73 2.763 -5.647 -7.083 613 HE ARG 73 HE ARG 73 5.166 -7.239 -7.336 614 HH11 ARG 73 HH11 ARG 73 2.459 -5.773 -8.990 615 HH12 ARG 73 HH12 ARG 73 3.260 -5.715 -10.529 616 HH21 ARG 73 HH21 ARG 73 6.238 -7.161 -9.354 617 HH22 ARG 73 HH22 ARG 73 5.417 -6.509 -10.736 618 H ASN 74 H ASN 74 7.482 -6.398 -4.219 619 HA ASN 74 HA ASN 74 7.023 -9.047 -3.647 620 HB2 ASN 74 HB2 ASN 74 9.065 -8.212 -4.754 621 HB3 ASN 74 HB3 ASN 74 9.588 -7.511 -3.224 622 HD21 ASN 74 HD21 ASN 74 10.084 -8.920 -1.490 623 HD22 ASN 74 HD22 ASN 74 10.648 -10.517 -1.805 624 H ILE 75 H ILE 75 8.676 -6.759 -1.415 625 HA ILE 75 HA ILE 75 8.594 -8.662 0.699 626 HB ILE 75 HB ILE 75 9.556 -7.118 2.140 627 HG12 ILE 75 HG12 ILE 75 7.895 -5.321 1.925 628 HG13 ILE 75 HG13 ILE 75 9.536 -4.694 1.865 629 HG21 ILE 75 HG21 ILE 75 11.022 -7.703 0.320 630 HG22 ILE 75 HG22 ILE 75 11.350 -6.067 0.891 631 HG23 ILE 75 HG23 ILE 75 10.454 -6.315 -0.607 632 HD11 ILE 75 HD11 ILE 75 8.060 -3.604 0.271 633 HD12 ILE 75 HD12 ILE 75 7.759 -5.161 -0.509 634 HD13 ILE 75 HD13 ILE 75 9.380 -4.457 -0.529 635 H TYR 76 H TYR 76 6.411 -6.247 -0.423 636 HA TYR 76 HA TYR 76 4.860 -5.843 1.866 637 HB2 TYR 76 HB2 TYR 76 4.377 -4.347 0.184 638 HB3 TYR 76 HB3 TYR 76 4.466 -5.570 -1.075 639 HD1 TYR 76 HD2 TYR 76 2.315 -3.974 1.421 640 HD2 TYR 76 HD1 TYR 76 2.549 -6.909 -1.646 641 HE1 TYR 76 HE2 TYR 76 -0.139 -4.094 1.354 642 HE2 TYR 76 HE1 TYR 76 0.103 -7.041 -1.724 643 HH TYR 76 HH TYR 76 -1.807 -6.555 -0.284 644 H ASP 77 H ASP 77 4.617 -8.221 -0.726 645 HA ASP 77 HA ASP 77 2.386 -9.569 0.533 646 HB2 ASP 77 HB2 ASP 77 2.406 -9.499 -1.864 647 HB3 ASP 77 HB3 ASP 77 4.037 -10.160 -1.930 648 H LYS 78 H LYS 78 5.765 -9.651 0.723 649 HA LYS 78 HA LYS 78 5.958 -12.401 1.615 650 HB2 LYS 78 HB2 LYS 78 7.777 -10.354 0.741 651 HB3 LYS 78 HB3 LYS 78 8.322 -10.998 2.279 652 HG2 LYS 78 HG2 LYS 78 9.415 -12.349 0.782 653 HG3 LYS 78 HG3 LYS 78 7.977 -13.306 1.131 654 HD2 LYS 78 HD2 LYS 78 8.441 -11.559 -1.291 655 HD3 LYS 78 HD3 LYS 78 8.463 -13.320 -1.253 656 HE2 LYS 78 HE2 LYS 78 6.061 -13.143 -0.409 657 HE3 LYS 78 HE3 LYS 78 6.142 -11.459 -0.919 658 HZ1 LYS 78 HZ1 LYS 78 6.570 -13.810 -2.681 659 HZ2 LYS 78 HZ2 LYS 78 6.619 -12.190 -3.163 660 HZ3 LYS 78 HZ3 LYS 78 5.167 -12.867 -2.621 661 H TYR 79 H TYR 79 6.744 -9.261 3.128 662 HA TYR 79 HA TYR 79 5.764 -10.321 5.685 663 HB2 TYR 79 HB2 TYR 79 8.354 -8.819 5.258 664 HB3 TYR 79 HB3 TYR 79 7.627 -9.094 6.838 665 HD1 TYR 79 HD2 TYR 79 7.163 -11.583 7.466 666 HD2 TYR 79 HD1 TYR 79 9.849 -10.366 4.401 667 HE1 TYR 79 HE2 TYR 79 8.306 -13.757 7.611 668 HE2 TYR 79 HE1 TYR 79 10.998 -12.534 4.535 669 HH TYR 79 HH TYR 79 9.705 -15.201 6.166 670 H GLY 80 H GLY 80 6.897 -7.346 4.059 671 HA2 GLY 80 HA2 GLY 80 5.668 -5.422 3.647 672 HA3 GLY 80 HA3 GLY 80 4.338 -6.095 4.582 673 H SER 81 H SER 81 5.690 -6.537 7.001 674 HA SER 81 HA SER 81 5.465 -3.989 8.181 675 HB2 SER 81 HB2 SER 81 6.477 -5.247 10.186 676 HB3 SER 81 HB3 SER 81 4.954 -5.858 9.535 677 HG SER 81 HG SER 81 6.141 -7.654 9.600 678 H LEU 82 H LEU 82 8.326 -6.082 8.204 679 HA LEU 82 HA LEU 82 10.149 -3.970 8.694 680 HB2 LEU 82 HB2 LEU 82 10.887 -6.050 9.400 681 HB3 LEU 82 HB3 LEU 82 10.363 -6.850 7.933 682 HG LEU 82 HG LEU 82 12.252 -5.764 6.721 683 HD11 LEU 82 HD11 LEU 82 13.152 -4.942 9.478 684 HD12 LEU 82 HD12 LEU 82 12.582 -3.850 8.215 685 HD13 LEU 82 HD13 LEU 82 14.070 -4.766 7.981 686 HD21 LEU 82 HD21 LEU 82 12.415 -8.045 7.537 687 HD22 LEU 82 HD22 LEU 82 12.983 -7.460 9.100 688 HD23 LEU 82 HD23 LEU 82 13.971 -7.227 7.659 689 H GLY 83 H GLY 83 9.462 -5.872 5.781 690 HA2 GLY 83 HA2 GLY 83 11.520 -5.016 4.185 691 HA3 GLY 83 HA3 GLY 83 9.978 -5.574 3.576 692 H LEU 84 H LEU 84 8.378 -3.408 4.522 693 HA LEU 84 HA LEU 84 8.884 -1.607 2.369 694 HB2 LEU 84 HB2 LEU 84 6.850 -1.628 4.580 695 HB3 LEU 84 HB3 LEU 84 6.951 -0.308 3.433 696 HG LEU 84 HG LEU 84 6.471 -3.189 2.663 697 HD11 LEU 84 HD11 LEU 84 4.594 -2.341 3.949 698 HD12 LEU 84 HD12 LEU 84 4.157 -2.482 2.245 699 HD13 LEU 84 HD13 LEU 84 4.527 -0.900 2.935 700 HD21 LEU 84 HD21 LEU 84 7.534 -1.799 0.924 701 HD22 LEU 84 HD22 LEU 84 6.210 -0.644 1.061 702 HD23 LEU 84 HD23 LEU 84 5.896 -2.282 0.487 703 H TYR 85 H TYR 85 9.239 -1.394 5.874 704 HA TYR 85 HA TYR 85 9.854 1.378 5.903 705 HB2 TYR 85 HB2 TYR 85 9.500 1.063 8.086 706 HB3 TYR 85 HB3 TYR 85 9.395 -0.669 7.813 707 HD1 TYR 85 HD2 TYR 85 11.326 -2.110 8.250 708 HD2 TYR 85 HD1 TYR 85 11.485 2.071 9.013 709 HE1 TYR 85 HE2 TYR 85 13.346 -2.440 9.610 710 HE2 TYR 85 HE1 TYR 85 13.509 1.752 10.368 711 HH TYR 85 HH TYR 85 14.650 0.062 11.589 712 H VAL 86 H VAL 86 11.826 -1.557 5.833 713 HA VAL 86 HA VAL 86 14.302 -0.201 6.149 714 HB VAL 86 HB VAL 86 14.259 -2.493 6.760 715 HG11 VAL 86 HG11 VAL 86 12.386 -3.178 5.348 716 HG12 VAL 86 HG12 VAL 86 13.739 -4.302 5.263 717 HG13 VAL 86 HG13 VAL 86 13.455 -3.167 3.943 718 HG21 VAL 86 HG21 VAL 86 16.395 -2.033 5.946 719 HG22 VAL 86 HG22 VAL 86 15.846 -2.003 4.271 720 HG23 VAL 86 HG23 VAL 86 15.935 -3.539 5.139 721 H ALA 87 H ALA 87 12.294 -1.005 3.398 722 HA ALA 87 HA ALA 87 14.309 -0.579 1.429 723 HB1 ALA 87 HB1 ALA 87 11.320 -0.461 1.108 724 HB2 ALA 87 HB2 ALA 87 12.312 -1.913 0.983 725 HB3 ALA 87 HB3 ALA 87 12.515 -0.603 -0.179 726 H GLU 88 H GLU 88 12.058 1.494 3.111 727 HA GLU 88 HA GLU 88 12.383 3.731 1.364 728 HB2 GLU 88 HB2 GLU 88 11.412 3.537 4.211 729 HB3 GLU 88 HB3 GLU 88 11.393 5.018 3.268 730 HG2 GLU 88 HG2 GLU 88 9.902 3.946 1.642 731 HG3 GLU 88 HG3 GLU 88 9.896 2.487 2.632 732 H GLN 89 H GLN 89 13.791 2.767 4.460 733 HA GLN 89 HA GLN 89 15.378 5.168 4.617 734 HB2 GLN 89 HB2 GLN 89 15.427 2.692 6.349 735 HB3 GLN 89 HB3 GLN 89 16.191 4.231 6.724 736 HG2 GLN 89 HG2 GLN 89 13.231 3.782 6.394 737 HG3 GLN 89 HG3 GLN 89 14.084 3.930 7.929 738 HE21 GLN 89 HE21 GLN 89 11.941 5.555 6.664 739 HE22 GLN 89 HE22 GLN 89 12.543 7.175 6.666 740 H PHE 90 H PHE 90 16.040 1.702 4.164 741 HA PHE 90 HA PHE 90 18.852 2.289 3.714 742 HB2 PHE 90 HB2 PHE 90 17.324 -0.306 3.953 743 HB3 PHE 90 HB3 PHE 90 19.037 -0.232 3.526 744 HD1 PHE 90 HD1 PHE 90 16.567 0.294 6.177 745 HD2 PHE 90 HD2 PHE 90 20.702 0.327 5.173 746 HE1 PHE 90 HE1 PHE 90 17.143 0.363 8.568 747 HE2 PHE 90 HE2 PHE 90 21.286 0.397 7.561 748 HZ PHE 90 HZ PHE 90 19.521 0.388 9.261 749 H GLY 91 H GLY 91 15.999 1.284 1.888 750 HA2 GLY 91 HA2 GLY 91 15.986 1.876 -0.485 751 HA3 GLY 91 HA3 GLY 91 17.682 1.411 -0.543 752 H GLU 92 H GLU 92 15.144 0.453 -1.922 753 HA GLU 92 HA GLU 92 14.376 -2.050 -0.897 754 HB2 GLU 92 HB2 GLU 92 14.283 -1.484 -3.836 755 HB3 GLU 92 HB3 GLU 92 13.084 -2.264 -2.812 756 HG2 GLU 92 HG2 GLU 92 11.999 -0.364 -2.600 757 HG3 GLU 92 HG3 GLU 92 13.438 0.388 -1.910 758 H GLU 93 H GLU 93 16.697 -1.165 -3.406 759 HA GLU 93 HA GLU 93 17.439 -3.843 -4.036 760 HB2 GLU 93 HB2 GLU 93 19.346 -2.856 -5.203 761 HB3 GLU 93 HB3 GLU 93 17.866 -1.985 -5.583 762 HG2 GLU 93 HG2 GLU 93 18.509 -0.283 -3.896 763 HG3 GLU 93 HG3 GLU 93 20.039 -1.127 -3.691 764 H ASN 94 H ASN 94 18.122 -1.810 -1.431 765 HA ASN 94 HA ASN 94 20.680 -3.031 -0.813 766 HB2 ASN 94 HB2 ASN 94 19.119 -0.742 0.326 767 HB3 ASN 94 HB3 ASN 94 20.429 -1.461 1.241 768 HD21 ASN 94 HD21 ASN 94 19.569 0.476 -1.464 769 HD22 ASN 94 HD22 ASN 94 21.169 0.948 -1.894 770 H VAL 95 H VAL 95 17.404 -2.924 0.412 771 HA VAL 95 HA VAL 95 17.507 -3.961 2.897 772 HB VAL 95 HB VAL 95 15.321 -4.849 2.674 773 HG11 VAL 95 HG11 VAL 95 14.106 -3.042 1.607 774 HG12 VAL 95 HG12 VAL 95 15.581 -2.529 0.789 775 HG13 VAL 95 HG13 VAL 95 15.467 -2.433 2.542 776 HG21 VAL 95 HG21 VAL 95 15.679 -4.809 -0.316 777 HG22 VAL 95 HG22 VAL 95 14.213 -5.268 0.551 778 HG23 VAL 95 HG23 VAL 95 15.672 -6.250 0.701 779 H ASN 96 H ASN 96 18.098 -5.772 -0.019 780 HA ASN 96 HA ASN 96 17.797 -8.388 0.875 781 HB2 ASN 96 HB2 ASN 96 18.132 -7.694 -1.467 782 HB3 ASN 96 HB3 ASN 96 19.806 -7.293 -1.102 783 HD21 ASN 96 HD21 ASN 96 17.507 -9.838 -1.595 784 HD22 ASN 96 HD22 ASN 96 18.652 -11.127 -1.718 785 H THR 97 H THR 97 20.100 -6.045 1.795 786 HA THR 97 HA THR 97 22.192 -7.783 2.649 787 HB THR 97 HB THR 97 22.535 -5.366 2.209 788 HG1 THR 97 HG1 THR 97 23.673 -6.748 4.007 789 HG21 THR 97 HG21 THR 97 21.840 -3.726 3.949 790 HG22 THR 97 HG22 THR 97 20.858 -4.993 4.692 791 HG23 THR 97 HG23 THR 97 20.485 -4.429 3.059 792 H TYR 98 H TYR 98 19.337 -6.428 4.149 793 HA TYR 98 HA TYR 98 19.986 -7.599 6.735 794 HB2 TYR 98 HB2 TYR 98 19.046 -5.279 6.503 795 HB3 TYR 98 HB3 TYR 98 17.557 -5.997 5.890 796 HD1 TYR 98 HD2 TYR 98 19.722 -5.648 8.861 797 HD2 TYR 98 HD1 TYR 98 15.959 -6.952 7.379 798 HE1 TYR 98 HE2 TYR 98 18.902 -5.886 11.168 799 HE2 TYR 98 HE1 TYR 98 15.129 -7.195 9.678 800 HH TYR 98 HH TYR 98 16.723 -5.902 12.358 801 H PHE 99 H PHE 99 18.170 -8.153 3.904 802 HA PHE 99 HA PHE 99 16.578 -10.289 5.077 803 HB2 PHE 99 HB2 PHE 99 16.685 -8.988 2.366 804 HB3 PHE 99 HB3 PHE 99 15.823 -10.498 2.606 805 HD1 PHE 99 HD2 PHE 99 15.894 -6.932 3.307 806 HD2 PHE 99 HD1 PHE 99 13.780 -10.574 3.890 807 HE1 PHE 99 HE2 PHE 99 13.924 -5.661 4.080 808 HE2 PHE 99 HE1 PHE 99 11.811 -9.326 4.659 809 HZ PHE 99 HZ PHE 99 11.847 -6.869 4.711 810 H VAL 100 H VAL 100 16.495 -12.055 3.011 811 HA VAL 100 HA VAL 100 18.572 -13.786 3.472 812 HB VAL 100 HB VAL 100 16.508 -14.613 2.626 813 HG11 VAL 100 HG11 VAL 100 15.760 -14.160 0.301 814 HG12 VAL 100 HG12 VAL 100 17.036 -12.948 0.170 815 HG13 VAL 100 HG13 VAL 100 15.739 -12.739 1.346 816 HG21 VAL 100 HG21 VAL 100 17.226 -16.033 0.764 817 HG22 VAL 100 HG22 VAL 100 18.461 -15.934 2.019 818 HG23 VAL 100 HG23 VAL 100 18.641 -15.007 0.530 Start of MODEL 8 1 H1 MET -4 H1 MET -4 -24.934 -29.012 -13.301 2 H2 MET -4 H2 MET -4 -26.177 -28.458 -14.296 3 H3 MET -4 H3 MET -4 -25.976 -27.797 -12.754 4 HA MET -4 HA MET -4 -24.088 -27.572 -15.019 5 HB2 MET -4 HB2 MET -4 -24.676 -25.212 -15.054 6 HB3 MET -4 HB3 MET -4 -26.113 -26.191 -15.283 7 HG2 MET -4 HG2 MET -4 -25.303 -24.940 -12.671 8 HG3 MET -4 HG3 MET -4 -26.445 -24.233 -13.809 9 HE1 MET -4 HE1 MET -4 -28.282 -24.052 -11.888 10 HE2 MET -4 HE2 MET -4 -27.103 -24.720 -10.758 11 HE3 MET -4 HE3 MET -4 -28.725 -25.403 -10.845 12 H ARG -3 H ARG -3 -22.076 -27.016 -14.523 13 HA ARG -3 HA ARG -3 -21.374 -25.485 -12.234 14 HB2 ARG -3 HB2 ARG -3 -20.099 -27.101 -10.986 15 HB3 ARG -3 HB3 ARG -3 -21.738 -27.702 -11.147 16 HG2 ARG -3 HG2 ARG -3 -19.487 -28.593 -12.932 17 HG3 ARG -3 HG3 ARG -3 -19.895 -29.396 -11.418 18 HD2 ARG -3 HD2 ARG -3 -21.732 -29.036 -13.784 19 HD3 ARG -3 HD3 ARG -3 -20.903 -30.525 -13.339 20 HE ARG -3 HE ARG -3 -22.565 -29.464 -11.242 21 HH11 ARG -3 HH11 ARG -3 -22.516 -31.456 -14.121 22 HH12 ARG -3 HH12 ARG -3 -23.909 -32.381 -13.660 23 HH21 ARG -3 HH21 ARG -3 -24.410 -30.660 -10.642 24 HH22 ARG -3 HH22 ARG -3 -24.987 -31.932 -11.675 25 H SER -2 H SER -2 -19.295 -24.673 -12.414 26 HA SER -2 HA SER -2 -18.032 -25.158 -14.991 27 HB2 SER -2 HB2 SER -2 -17.387 -23.105 -12.863 28 HB3 SER -2 HB3 SER -2 -16.719 -23.156 -14.492 29 HG SER -2 HG SER -2 -19.470 -23.183 -14.387 30 HA PRO -1 HA PRO -1 -15.045 -27.935 -13.009 31 HB2 PRO -1 HB2 PRO -1 -13.859 -27.620 -15.719 32 HB3 PRO -1 HB3 PRO -1 -14.197 -29.094 -14.806 33 HG2 PRO -1 HG2 PRO -1 -15.739 -28.403 -16.856 34 HG3 PRO -1 HG3 PRO -1 -16.448 -29.091 -15.385 35 HD2 PRO -1 HD2 PRO -1 -16.370 -26.242 -16.297 36 HD3 PRO -1 HD3 PRO -1 -17.686 -27.139 -15.511 37 H GLY 0 H GLY 0 -13.284 -27.335 -11.903 38 HA2 GLY 0 HA2 GLY 0 -11.254 -26.168 -11.542 39 HA3 GLY 0 HA3 GLY 0 -11.670 -25.082 -12.861 40 H MET 1 H MET 1 -13.941 -25.969 -10.402 41 HA MET 1 HA MET 1 -14.399 -23.213 -9.736 42 HB2 MET 1 HB2 MET 1 -16.261 -24.790 -9.919 43 HB3 MET 1 HB3 MET 1 -15.588 -25.758 -8.616 44 HG2 MET 1 HG2 MET 1 -15.894 -23.851 -7.084 45 HG3 MET 1 HG3 MET 1 -16.646 -22.948 -8.397 46 HE1 MET 1 HE1 MET 1 -19.844 -25.127 -9.105 47 HE2 MET 1 HE2 MET 1 -18.265 -25.323 -9.864 48 HE3 MET 1 HE3 MET 1 -18.914 -23.708 -9.588 49 H ALA 2 H ALA 2 -13.163 -22.167 -8.344 50 HA ALA 2 HA ALA 2 -11.883 -23.629 -6.154 51 HB1 ALA 2 HB1 ALA 2 -10.418 -22.248 -7.542 52 HB2 ALA 2 HB2 ALA 2 -10.483 -21.635 -5.890 53 HB3 ALA 2 HB3 ALA 2 -11.392 -20.828 -7.168 54 H ASP 3 H ASP 3 -13.388 -23.836 -4.578 55 HA ASP 3 HA ASP 3 -15.081 -21.603 -3.856 56 HB2 ASP 3 HB2 ASP 3 -16.173 -23.097 -2.345 57 HB3 ASP 3 HB3 ASP 3 -15.874 -23.996 -3.825 58 H GLN 4 H GLN 4 -14.994 -20.469 -1.937 59 HA GLN 4 HA GLN 4 -12.346 -20.359 -0.761 60 HB2 GLN 4 HB2 GLN 4 -14.753 -18.571 -0.413 61 HB3 GLN 4 HB3 GLN 4 -13.190 -18.300 0.351 62 HG2 GLN 4 HG2 GLN 4 -12.155 -18.166 -1.872 63 HG3 GLN 4 HG3 GLN 4 -13.745 -18.359 -2.605 64 HE21 GLN 4 HE21 GLN 4 -11.862 -16.165 -2.841 65 HE22 GLN 4 HE22 GLN 4 -12.695 -14.750 -2.300 66 H ARG 5 H ARG 5 -11.843 -21.409 0.967 67 HA ARG 5 HA ARG 5 -13.817 -22.909 2.414 68 HB2 ARG 5 HB2 ARG 5 -10.835 -22.650 2.816 69 HB3 ARG 5 HB3 ARG 5 -11.853 -23.818 3.615 70 HG2 ARG 5 HG2 ARG 5 -11.104 -25.127 1.955 71 HG3 ARG 5 HG3 ARG 5 -12.481 -24.403 1.123 72 HD2 ARG 5 HD2 ARG 5 -11.132 -22.854 0.007 73 HD3 ARG 5 HD3 ARG 5 -9.760 -23.193 1.056 74 HE ARG 5 HE ARG 5 -10.201 -25.570 -0.141 75 HH11 ARG 5 HH11 ARG 5 -9.824 -22.330 -1.402 76 HH12 ARG 5 HH12 ARG 5 -9.092 -22.854 -2.885 77 HH21 ARG 5 HH21 ARG 5 -9.251 -26.265 -2.091 78 HH22 ARG 5 HH22 ARG 5 -8.772 -25.094 -3.279 79 H GLN 6 H GLN 6 -11.888 -20.098 2.932 80 HA GLN 6 HA GLN 6 -13.134 -19.742 5.576 81 HB2 GLN 6 HB2 GLN 6 -10.429 -18.784 4.634 82 HB3 GLN 6 HB3 GLN 6 -11.154 -18.360 6.173 83 HG2 GLN 6 HG2 GLN 6 -11.036 -20.620 6.925 84 HG3 GLN 6 HG3 GLN 6 -10.531 -21.177 5.330 85 HE21 GLN 6 HE21 GLN 6 -9.225 -21.392 7.967 86 HE22 GLN 6 HE22 GLN 6 -7.656 -20.689 7.761 87 H ARG 7 H ARG 7 -13.678 -17.601 6.174 88 HA ARG 7 HA ARG 7 -14.489 -15.871 4.013 89 HB2 ARG 7 HB2 ARG 7 -16.067 -15.913 5.709 90 HB3 ARG 7 HB3 ARG 7 -14.851 -16.033 6.975 91 HG2 ARG 7 HG2 ARG 7 -15.934 -13.923 7.132 92 HG3 ARG 7 HG3 ARG 7 -14.273 -13.682 6.579 93 HD2 ARG 7 HD2 ARG 7 -15.904 -12.282 5.355 94 HD3 ARG 7 HD3 ARG 7 -15.032 -13.397 4.307 95 HE ARG 7 HE ARG 7 -17.300 -14.749 4.907 96 HH11 ARG 7 HH11 ARG 7 -16.699 -11.524 3.692 97 HH12 ARG 7 HH12 ARG 7 -18.134 -11.482 2.717 98 HH21 ARG 7 HH21 ARG 7 -19.193 -14.705 3.614 99 HH22 ARG 7 HH22 ARG 7 -19.546 -13.297 2.669 100 H SER 8 H SER 8 -12.112 -16.051 6.534 101 HA SER 8 HA SER 8 -11.299 -13.374 6.555 102 HB2 SER 8 HB2 SER 8 -9.170 -14.594 7.531 103 HB3 SER 8 HB3 SER 8 -10.694 -14.506 8.436 104 HG SER 8 HG SER 8 -9.371 -16.667 7.500 105 H LEU 9 H LEU 9 -10.329 -16.095 4.595 106 HA LEU 9 HA LEU 9 -7.984 -14.808 3.590 107 HB2 LEU 9 HB2 LEU 9 -7.833 -16.722 2.073 108 HB3 LEU 9 HB3 LEU 9 -8.055 -17.189 3.750 109 HG LEU 9 HG LEU 9 -10.511 -17.540 3.196 110 HD11 LEU 9 HD11 LEU 9 -10.681 -16.317 1.126 111 HD12 LEU 9 HD12 LEU 9 -11.027 -18.023 0.834 112 HD13 LEU 9 HD13 LEU 9 -9.461 -17.353 0.378 113 HD21 LEU 9 HD21 LEU 9 -8.487 -19.272 1.793 114 HD22 LEU 9 HD22 LEU 9 -10.110 -19.754 2.285 115 HD23 LEU 9 HD23 LEU 9 -8.899 -19.357 3.505 116 H SER 10 H SER 10 -11.318 -14.760 2.787 117 HA SER 10 HA SER 10 -11.172 -13.923 0.110 118 HB2 SER 10 HB2 SER 10 -13.199 -13.129 2.186 119 HB3 SER 10 HB3 SER 10 -13.436 -13.115 0.443 120 HG SER 10 HG SER 10 -13.702 -15.233 0.453 121 H THR 11 H THR 11 -11.022 -12.219 3.178 122 HA THR 11 HA THR 11 -10.328 -9.718 1.891 123 HB THR 11 HB THR 11 -9.894 -9.021 4.330 124 HG1 THR 11 HG1 THR 11 -9.899 -11.419 4.917 125 HG21 THR 11 HG21 THR 11 -12.298 -8.757 4.780 126 HG22 THR 11 HG22 THR 11 -12.656 -9.921 3.505 127 HG23 THR 11 HG23 THR 11 -11.904 -8.377 3.103 128 H SER 12 H SER 12 -8.376 -9.718 0.965 129 HA SER 12 HA SER 12 -6.297 -11.482 1.592 130 HB2 SER 12 HB2 SER 12 -6.476 -10.459 -0.601 131 HB3 SER 12 HB3 SER 12 -6.238 -8.855 0.089 132 HG SER 12 HG SER 12 -4.301 -9.590 -0.774 133 H GLY 13 H GLY 13 -7.190 -8.497 3.052 134 HA2 GLY 13 HA2 GLY 13 -6.234 -7.421 4.880 135 HA3 GLY 13 HA3 GLY 13 -4.899 -8.570 4.820 136 H GLU 14 H GLU 14 -5.772 -7.156 1.887 137 HA GLU 14 HA GLU 14 -3.222 -6.000 1.485 138 HB2 GLU 14 HB2 GLU 14 -4.140 -5.278 -0.660 139 HB3 GLU 14 HB3 GLU 14 -4.586 -6.947 -0.333 140 HG2 GLU 14 HG2 GLU 14 -6.743 -5.869 0.650 141 HG3 GLU 14 HG3 GLU 14 -6.276 -4.503 -0.361 142 H SER 15 H SER 15 -2.667 -3.838 1.289 143 HA SER 15 HA SER 15 -4.457 -2.021 2.747 144 HB2 SER 15 HB2 SER 15 -2.246 -0.930 3.479 145 HB3 SER 15 HB3 SER 15 -2.664 -2.483 4.204 146 HG SER 15 HG SER 15 -0.468 -2.338 3.437 147 H LEU 16 H LEU 16 -1.559 -1.844 0.666 148 HA LEU 16 HA LEU 16 -1.956 0.778 -0.197 149 HB2 LEU 16 HB2 LEU 16 -0.526 -1.522 -1.505 150 HB3 LEU 16 HB3 LEU 16 -0.527 0.088 -2.181 151 HG LEU 16 HG LEU 16 1.529 -0.324 -1.027 152 HD11 LEU 16 HD11 LEU 16 1.546 1.546 0.581 153 HD12 LEU 16 HD12 LEU 16 -0.213 1.608 0.488 154 HD13 LEU 16 HD13 LEU 16 0.760 1.955 -0.943 155 HD21 LEU 16 HD21 LEU 16 -0.122 -0.848 1.428 156 HD22 LEU 16 HD22 LEU 16 1.634 -0.710 1.383 157 HD23 LEU 16 HD23 LEU 16 0.832 -2.029 0.530 158 H TYR 17 H TYR 17 -2.765 -2.245 -1.863 159 HA TYR 17 HA TYR 17 -4.077 -1.254 -4.079 160 HB2 TYR 17 HB2 TYR 17 -4.876 -3.657 -2.423 161 HB3 TYR 17 HB3 TYR 17 -5.421 -3.333 -4.061 162 HD1 TYR 17 HD2 TYR 17 -3.750 -3.392 -5.934 163 HD2 TYR 17 HD1 TYR 17 -2.807 -4.711 -2.001 164 HE1 TYR 17 HE2 TYR 17 -1.829 -4.645 -6.823 165 HE2 TYR 17 HE1 TYR 17 -0.892 -5.975 -2.876 166 HH TYR 17 HH TYR 17 0.255 -5.585 -6.074 167 H HIS 18 H HIS 18 -5.270 -1.639 -0.799 168 HA HIS 18 HA HIS 18 -8.000 -1.146 -1.412 169 HB2 HIS 18 HB2 HIS 18 -7.197 -2.457 0.552 170 HB3 HIS 18 HB3 HIS 18 -6.614 -0.959 1.266 171 HD1 HIS 18 HD1 HIS 18 -8.228 0.225 2.749 172 HD2 HIS 18 HD2 HIS 18 -10.117 -2.400 0.137 173 HE1 HIS 18 HE1 HIS 18 -10.649 0.224 3.423 174 HE2 HIS 18 HE2 HIS 18 -11.798 -1.238 1.725 175 H VAL 19 H VAL 19 -5.291 0.916 -0.631 176 HA VAL 19 HA VAL 19 -6.853 3.179 0.185 177 HB VAL 19 HB VAL 19 -4.919 4.267 0.562 178 HG11 VAL 19 HG11 VAL 19 -2.859 2.728 0.563 179 HG12 VAL 19 HG12 VAL 19 -3.996 1.472 0.091 180 HG13 VAL 19 HG13 VAL 19 -4.222 2.340 1.609 181 HG21 VAL 19 HG21 VAL 19 -4.033 3.339 -2.155 182 HG22 VAL 19 HG22 VAL 19 -2.938 4.176 -1.044 183 HG23 VAL 19 HG23 VAL 19 -4.407 4.979 -1.603 184 H LEU 20 H LEU 20 -5.642 1.909 -2.800 185 HA LEU 20 HA LEU 20 -6.335 4.294 -4.296 186 HB2 LEU 20 HB2 LEU 20 -4.995 1.700 -4.969 187 HB3 LEU 20 HB3 LEU 20 -5.524 2.792 -6.237 188 HG LEU 20 HG LEU 20 -3.498 3.383 -4.078 189 HD11 LEU 20 HD11 LEU 20 -2.602 1.975 -5.820 190 HD12 LEU 20 HD12 LEU 20 -1.948 3.608 -5.977 191 HD13 LEU 20 HD13 LEU 20 -3.231 3.061 -7.059 192 HD21 LEU 20 HD21 LEU 20 -4.644 5.139 -6.237 193 HD22 LEU 20 HD22 LEU 20 -3.184 5.512 -5.315 194 HD23 LEU 20 HD23 LEU 20 -4.736 5.381 -4.489 195 H GLY 21 H GLY 21 -7.733 1.364 -3.387 196 HA2 GLY 21 HA2 GLY 21 -9.968 0.785 -3.593 197 HA3 GLY 21 HA3 GLY 21 -10.169 2.079 -4.762 198 H LEU 22 H LEU 22 -7.535 0.082 -5.488 199 HA LEU 22 HA LEU 22 -9.149 -1.253 -7.541 200 HB2 LEU 22 HB2 LEU 22 -6.828 -1.704 -8.568 201 HB3 LEU 22 HB3 LEU 22 -7.514 -0.101 -8.699 202 HG LEU 22 HG LEU 22 -6.096 0.480 -6.636 203 HD11 LEU 22 HD11 LEU 22 -5.500 -1.771 -5.960 204 HD12 LEU 22 HD12 LEU 22 -4.057 -0.845 -6.380 205 HD13 LEU 22 HD13 LEU 22 -4.700 -2.039 -7.509 206 HD21 LEU 22 HD21 LEU 22 -5.644 1.298 -8.879 207 HD22 LEU 22 HD22 LEU 22 -4.755 -0.182 -9.247 208 HD23 LEU 22 HD23 LEU 22 -4.154 0.927 -8.015 209 H ASP 23 H ASP 23 -8.413 -3.436 -8.180 210 HA ASP 23 HA ASP 23 -8.219 -5.087 -5.822 211 HB2 ASP 23 HB2 ASP 23 -8.399 -5.826 -8.751 212 HB3 ASP 23 HB3 ASP 23 -8.480 -6.966 -7.416 213 H LYS 24 H LYS 24 -6.789 -7.140 -6.204 214 HA LYS 24 HA LYS 24 -4.098 -6.097 -6.143 215 HB2 LYS 24 HB2 LYS 24 -3.531 -8.340 -5.268 216 HB3 LYS 24 HB3 LYS 24 -4.797 -7.548 -4.343 217 HG2 LYS 24 HG2 LYS 24 -5.998 -9.116 -6.401 218 HG3 LYS 24 HG3 LYS 24 -4.836 -10.104 -5.526 219 HD2 LYS 24 HD2 LYS 24 -6.879 -10.374 -4.380 220 HD3 LYS 24 HD3 LYS 24 -5.933 -9.255 -3.396 221 HE2 LYS 24 HE2 LYS 24 -7.147 -7.367 -4.397 222 HE3 LYS 24 HE3 LYS 24 -8.096 -8.500 -5.359 223 HZ1 LYS 24 HZ1 LYS 24 -9.360 -7.880 -3.470 224 HZ2 LYS 24 HZ2 LYS 24 -8.086 -8.216 -2.408 225 HZ3 LYS 24 HZ3 LYS 24 -8.865 -9.479 -3.229 226 H ASN 25 H ASN 25 -5.842 -6.747 -8.611 227 HA ASN 25 HA ASN 25 -3.777 -8.263 -10.052 228 HB2 ASN 25 HB2 ASN 25 -6.755 -8.133 -10.568 229 HB3 ASN 25 HB3 ASN 25 -5.596 -8.865 -11.674 230 HD21 ASN 25 HD21 ASN 25 -7.394 -9.224 -8.771 231 HD22 ASN 25 HD22 ASN 25 -6.910 -10.844 -8.417 232 H ALA 26 H ALA 26 -4.650 -5.302 -9.416 233 HA ALA 26 HA ALA 26 -5.062 -4.061 -11.926 234 HB1 ALA 26 HB1 ALA 26 -4.310 -1.985 -10.791 235 HB2 ALA 26 HB2 ALA 26 -3.893 -2.957 -9.373 236 HB3 ALA 26 HB3 ALA 26 -5.574 -2.849 -9.903 237 H THR 27 H THR 27 -3.602 -2.892 -13.188 238 HA THR 27 HA THR 27 -0.859 -3.940 -13.048 239 HB THR 27 HB THR 27 -2.084 -4.396 -15.164 240 HG1 THR 27 HG1 THR 27 0.100 -4.271 -15.435 241 HG21 THR 27 HG21 THR 27 -2.530 -2.532 -16.714 242 HG22 THR 27 HG22 THR 27 -2.091 -1.392 -15.440 243 HG23 THR 27 HG23 THR 27 -3.504 -2.429 -15.246 244 H SER 28 H SER 28 0.739 -2.214 -14.083 245 HA SER 28 HA SER 28 1.035 -0.170 -12.261 246 HB2 SER 28 HB2 SER 28 2.001 -0.162 -15.126 247 HB3 SER 28 HB3 SER 28 2.680 0.771 -13.793 248 HG SER 28 HG SER 28 3.659 -0.956 -13.046 249 H ASP 29 H ASP 29 -0.617 -0.154 -15.345 250 HA ASP 29 HA ASP 29 -1.153 2.574 -15.570 251 HB2 ASP 29 HB2 ASP 29 -2.552 0.138 -16.627 252 HB3 ASP 29 HB3 ASP 29 -3.195 1.748 -16.918 253 H ASP 30 H ASP 30 -3.001 0.020 -13.890 254 HA ASP 30 HA ASP 30 -5.239 1.696 -13.332 255 HB2 ASP 30 HB2 ASP 30 -4.253 -0.934 -12.251 256 HB3 ASP 30 HB3 ASP 30 -5.685 -0.153 -11.590 257 H ILE 31 H ILE 31 -2.350 0.705 -11.652 258 HA ILE 31 HA ILE 31 -2.959 1.764 -9.127 259 HB ILE 31 HB ILE 31 -0.333 1.067 -10.431 260 HG12 ILE 31 HG12 ILE 31 -1.648 -0.490 -8.251 261 HG13 ILE 31 HG13 ILE 31 -2.329 -0.593 -9.870 262 HG21 ILE 31 HG21 ILE 31 -0.902 1.650 -7.527 263 HG22 ILE 31 HG22 ILE 31 0.071 2.638 -8.619 264 HG23 ILE 31 HG23 ILE 31 0.615 1.019 -8.172 265 HD11 ILE 31 HD11 ILE 31 -0.257 -1.426 -10.739 266 HD12 ILE 31 HD12 ILE 31 -0.744 -2.400 -9.346 267 HD13 ILE 31 HD13 ILE 31 0.534 -1.192 -9.179 268 H LYS 32 H LYS 32 -1.270 3.162 -11.914 269 HA LYS 32 HA LYS 32 -0.459 5.527 -10.552 270 HB2 LYS 32 HB2 LYS 32 -0.834 5.137 -13.521 271 HB3 LYS 32 HB3 LYS 32 0.071 6.425 -12.744 272 HG2 LYS 32 HG2 LYS 32 0.756 3.499 -12.690 273 HG3 LYS 32 HG3 LYS 32 1.546 4.742 -13.658 274 HD2 LYS 32 HD2 LYS 32 2.224 5.887 -11.584 275 HD3 LYS 32 HD3 LYS 32 1.488 4.582 -10.647 276 HE2 LYS 32 HE2 LYS 32 2.992 2.980 -11.738 277 HE3 LYS 32 HE3 LYS 32 3.742 4.307 -12.624 278 HZ1 LYS 32 HZ1 LYS 32 5.044 3.694 -10.684 279 HZ2 LYS 32 HZ2 LYS 32 3.729 3.999 -9.665 280 HZ3 LYS 32 HZ3 LYS 32 4.451 5.266 -10.523 281 H LYS 33 H LYS 33 -3.194 4.817 -12.732 282 HA LYS 33 HA LYS 33 -4.229 7.431 -12.777 283 HB2 LYS 33 HB2 LYS 33 -5.731 4.827 -13.105 284 HB3 LYS 33 HB3 LYS 33 -6.295 6.415 -13.610 285 HG2 LYS 33 HG2 LYS 33 -4.254 6.523 -15.089 286 HG3 LYS 33 HG3 LYS 33 -4.013 4.819 -14.725 287 HD2 LYS 33 HD2 LYS 33 -6.515 5.974 -15.944 288 HD3 LYS 33 HD3 LYS 33 -5.217 5.207 -16.855 289 HE2 LYS 33 HE2 LYS 33 -5.585 3.133 -15.573 290 HE3 LYS 33 HE3 LYS 33 -6.929 3.910 -14.739 291 HZ1 LYS 33 HZ1 LYS 33 -7.719 2.556 -16.561 292 HZ2 LYS 33 HZ2 LYS 33 -6.754 3.403 -17.662 293 HZ3 LYS 33 HZ3 LYS 33 -8.034 4.186 -16.881 294 H SER 34 H SER 34 -5.125 4.637 -10.772 295 HA SER 34 HA SER 34 -7.069 5.828 -9.197 296 HB2 SER 34 HB2 SER 34 -5.044 3.756 -8.339 297 HB3 SER 34 HB3 SER 34 -6.591 4.088 -7.556 298 HG SER 34 HG SER 34 -6.071 2.886 -10.052 299 H TYR 35 H TYR 35 -3.554 5.910 -8.900 300 HA TYR 35 HA TYR 35 -3.362 7.244 -6.467 301 HB2 TYR 35 HB2 TYR 35 -1.323 6.490 -7.374 302 HB3 TYR 35 HB3 TYR 35 -1.615 7.278 -8.925 303 HD1 TYR 35 HD1 TYR 35 -1.211 8.179 -5.310 304 HD2 TYR 35 HD2 TYR 35 -0.444 9.252 -9.357 305 HE1 TYR 35 HE1 TYR 35 0.110 10.108 -4.548 306 HE2 TYR 35 HE2 TYR 35 0.876 11.169 -8.606 307 HH TYR 35 HH TYR 35 1.071 12.614 -6.632 308 H ARG 36 H ARG 36 -3.424 8.657 -9.735 309 HA ARG 36 HA ARG 36 -3.375 11.327 -9.006 310 HB2 ARG 36 HB2 ARG 36 -4.812 10.055 -11.346 311 HB3 ARG 36 HB3 ARG 36 -4.441 11.768 -11.199 312 HG2 ARG 36 HG2 ARG 36 -2.387 9.569 -11.261 313 HG3 ARG 36 HG3 ARG 36 -2.866 10.544 -12.651 314 HD2 ARG 36 HD2 ARG 36 -2.101 12.560 -11.525 315 HD3 ARG 36 HD3 ARG 36 -1.693 11.625 -10.089 316 HE ARG 36 HE ARG 36 -0.330 10.620 -12.363 317 HH11 ARG 36 HH11 ARG 36 -0.327 13.286 -10.095 318 HH12 ARG 36 HH12 ARG 36 1.378 13.573 -10.233 319 HH21 ARG 36 HH21 ARG 36 1.925 10.999 -12.560 320 HH22 ARG 36 HH22 ARG 36 2.658 12.277 -11.644 321 H LYS 37 H LYS 37 -6.221 9.364 -9.708 322 HA LYS 37 HA LYS 37 -8.246 11.156 -9.346 323 HB2 LYS 37 HB2 LYS 37 -8.133 8.238 -8.596 324 HB3 LYS 37 HB3 LYS 37 -9.621 9.172 -8.665 325 HG2 LYS 37 HG2 LYS 37 -9.613 9.278 -10.947 326 HG3 LYS 37 HG3 LYS 37 -7.859 9.132 -11.056 327 HD2 LYS 37 HD2 LYS 37 -9.252 7.133 -11.823 328 HD3 LYS 37 HD3 LYS 37 -7.913 6.808 -10.718 329 HE2 LYS 37 HE2 LYS 37 -9.452 6.708 -8.848 330 HE3 LYS 37 HE3 LYS 37 -10.802 7.136 -9.900 331 HZ1 LYS 37 HZ1 LYS 37 -10.652 4.738 -9.433 332 HZ2 LYS 37 HZ2 LYS 37 -9.147 4.690 -10.202 333 HZ3 LYS 37 HZ3 LYS 37 -10.532 5.083 -11.084 334 H LEU 38 H LEU 38 -6.571 9.339 -6.820 335 HA LEU 38 HA LEU 38 -8.253 10.541 -4.771 336 HB2 LEU 38 HB2 LEU 38 -6.080 8.470 -4.730 337 HB3 LEU 38 HB3 LEU 38 -6.843 9.085 -3.274 338 HG LEU 38 HG LEU 38 -8.486 7.890 -5.484 339 HD11 LEU 38 HD11 LEU 38 -7.187 6.414 -3.204 340 HD12 LEU 38 HD12 LEU 38 -6.784 6.251 -4.913 341 HD13 LEU 38 HD13 LEU 38 -8.370 5.748 -4.328 342 HD21 LEU 38 HD21 LEU 38 -8.889 8.212 -2.512 343 HD22 LEU 38 HD22 LEU 38 -10.016 7.420 -3.612 344 HD23 LEU 38 HD23 LEU 38 -9.679 9.141 -3.785 345 H ALA 39 H ALA 39 -5.036 10.779 -6.026 346 HA ALA 39 HA ALA 39 -3.642 11.949 -3.951 347 HB1 ALA 39 HB1 ALA 39 -3.289 12.550 -6.878 348 HB2 ALA 39 HB2 ALA 39 -2.630 11.148 -6.035 349 HB3 ALA 39 HB3 ALA 39 -2.089 12.771 -5.602 350 H LEU 40 H LEU 40 -5.537 13.656 -6.466 351 HA LEU 40 HA LEU 40 -4.916 16.173 -5.234 352 HB2 LEU 40 HB2 LEU 40 -6.984 16.951 -6.709 353 HB3 LEU 40 HB3 LEU 40 -5.369 16.787 -7.338 354 HG LEU 40 HG LEU 40 -7.271 15.970 -8.778 355 HD11 LEU 40 HD11 LEU 40 -6.023 13.970 -9.549 356 HD12 LEU 40 HD12 LEU 40 -4.988 14.131 -8.129 357 HD13 LEU 40 HD13 LEU 40 -5.029 15.412 -9.339 358 HD21 LEU 40 HD21 LEU 40 -7.249 13.602 -6.932 359 HD22 LEU 40 HD22 LEU 40 -8.183 13.788 -8.415 360 HD23 LEU 40 HD23 LEU 40 -8.533 14.807 -7.020 361 H LYS 41 H LYS 41 -7.685 14.037 -5.259 362 HA LYS 41 HA LYS 41 -9.515 15.351 -3.724 363 HB2 LYS 41 HB2 LYS 41 -9.974 13.184 -4.642 364 HB3 LYS 41 HB3 LYS 41 -8.700 12.447 -3.683 365 HG2 LYS 41 HG2 LYS 41 -9.972 12.944 -1.643 366 HG3 LYS 41 HG3 LYS 41 -11.266 13.619 -2.637 367 HD2 LYS 41 HD2 LYS 41 -11.537 11.449 -3.740 368 HD3 LYS 41 HD3 LYS 41 -10.249 10.783 -2.741 369 HE2 LYS 41 HE2 LYS 41 -11.530 11.080 -0.757 370 HE3 LYS 41 HE3 LYS 41 -12.762 11.997 -1.621 371 HZ1 LYS 41 HZ1 LYS 41 -13.300 9.995 -2.873 372 HZ2 LYS 41 HZ2 LYS 41 -13.489 9.744 -1.213 373 HZ3 LYS 41 HZ3 LYS 41 -12.137 9.121 -2.011 374 H TYR 42 H TYR 42 -6.609 13.688 -2.590 375 HA TYR 42 HA TYR 42 -7.135 14.743 0.110 376 HB2 TYR 42 HB2 TYR 42 -5.556 12.334 -0.797 377 HB3 TYR 42 HB3 TYR 42 -5.465 12.979 0.842 378 HD1 TYR 42 HD2 TYR 42 -7.505 12.919 2.302 379 HD2 TYR 42 HD1 TYR 42 -7.391 11.011 -1.499 380 HE1 TYR 42 HE2 TYR 42 -9.486 11.602 2.908 381 HE2 TYR 42 HE1 TYR 42 -9.372 9.691 -0.896 382 HH TYR 42 HH TYR 42 -10.533 8.916 1.087 383 H HIS 43 H HIS 43 -5.891 16.115 -2.207 384 HA HIS 43 HA HIS 43 -3.106 16.285 -1.936 385 HB2 HIS 43 HB2 HIS 43 -4.938 17.317 -3.659 386 HB3 HIS 43 HB3 HIS 43 -4.537 18.750 -2.719 387 HD1 HIS 43 HD1 HIS 43 -2.781 20.066 -3.861 388 HD2 HIS 43 HD2 HIS 43 -2.256 15.981 -4.431 389 HE1 HIS 43 HE1 HIS 43 -0.712 19.842 -5.262 390 HE2 HIS 43 HE2 HIS 43 -0.319 17.361 -5.443 391 HA PRO 44 HA PRO 44 -2.045 17.929 1.890 392 HB2 PRO 44 HB2 PRO 44 -0.747 20.294 0.925 393 HB3 PRO 44 HB3 PRO 44 -0.017 18.801 1.504 394 HG2 PRO 44 HG2 PRO 44 -0.562 19.684 -1.248 395 HG3 PRO 44 HG3 PRO 44 0.628 18.510 -0.655 396 HD2 PRO 44 HD2 PRO 44 -1.555 17.749 -1.999 397 HD3 PRO 44 HD3 PRO 44 -0.907 16.769 -0.669 398 H ASP 45 H ASP 45 -3.233 20.530 -0.262 399 HA ASP 45 HA ASP 45 -3.748 22.264 1.953 400 HB2 ASP 45 HB2 ASP 45 -3.193 23.054 -0.355 401 HB3 ASP 45 HB3 ASP 45 -4.784 22.513 -0.872 402 H LYS 46 H LYS 46 -5.466 19.738 0.485 403 HA LYS 46 HA LYS 46 -8.109 20.636 1.194 404 HB2 LYS 46 HB2 LYS 46 -7.113 17.882 0.460 405 HB3 LYS 46 HB3 LYS 46 -8.781 18.402 0.488 406 HG2 LYS 46 HG2 LYS 46 -7.793 20.214 -1.198 407 HG3 LYS 46 HG3 LYS 46 -6.675 18.890 -1.497 408 HD2 LYS 46 HD2 LYS 46 -8.540 17.392 -1.956 409 HD3 LYS 46 HD3 LYS 46 -9.682 18.697 -1.635 410 HE2 LYS 46 HE2 LYS 46 -7.575 18.792 -3.783 411 HE3 LYS 46 HE3 LYS 46 -9.227 18.248 -4.063 412 HZ1 LYS 46 HZ1 LYS 46 -8.890 20.580 -4.655 413 HZ2 LYS 46 HZ2 LYS 46 -8.460 20.939 -3.056 414 HZ3 LYS 46 HZ3 LYS 46 -10.027 20.415 -3.416 415 H ASN 47 H ASN 47 -5.699 19.958 3.155 416 HA ASN 47 HA ASN 47 -7.067 17.916 4.758 417 HB2 ASN 47 HB2 ASN 47 -4.149 18.697 4.776 418 HB3 ASN 47 HB3 ASN 47 -4.874 17.420 5.731 419 HD21 ASN 47 HD21 ASN 47 -5.404 18.227 2.316 420 HD22 ASN 47 HD22 ASN 47 -4.889 16.686 1.728 421 HA PRO 48 HA PRO 48 -7.362 21.058 7.952 422 HB2 PRO 48 HB2 PRO 48 -8.571 19.141 9.661 423 HB3 PRO 48 HB3 PRO 48 -9.364 20.438 8.775 424 HG2 PRO 48 HG2 PRO 48 -9.705 17.732 8.283 425 HG3 PRO 48 HG3 PRO 48 -10.079 19.036 7.144 426 HD2 PRO 48 HD2 PRO 48 -7.710 17.229 7.249 427 HD3 PRO 48 HD3 PRO 48 -8.548 17.924 5.845 428 H ASP 49 H ASP 49 -7.254 20.402 10.596 429 HA ASP 49 HA ASP 49 -4.462 20.177 10.932 430 HB2 ASP 49 HB2 ASP 49 -5.985 21.486 12.373 431 HB3 ASP 49 HB3 ASP 49 -6.626 19.982 13.025 432 H ASN 50 H ASN 50 -7.115 17.912 11.298 433 HA ASN 50 HA ASN 50 -5.665 15.814 12.491 434 HB2 ASN 50 HB2 ASN 50 -7.472 14.352 11.400 435 HB3 ASN 50 HB3 ASN 50 -8.003 15.551 12.562 436 HD21 ASN 50 HD21 ASN 50 -7.969 14.596 9.251 437 HD22 ASN 50 HD22 ASN 50 -9.151 15.715 8.695 438 HA PRO 51 HA PRO 51 -3.103 14.732 9.006 439 HB2 PRO 51 HB2 PRO 51 -1.801 12.691 10.195 440 HB3 PRO 51 HB3 PRO 51 -1.465 14.381 10.587 441 HG2 PRO 51 HG2 PRO 51 -3.142 12.391 12.063 442 HG3 PRO 51 HG3 PRO 51 -1.983 13.570 12.702 443 HD2 PRO 51 HD2 PRO 51 -4.675 13.969 12.711 444 HD3 PRO 51 HD3 PRO 51 -3.497 15.292 12.616 445 H GLU 52 H GLU 52 -5.871 13.494 9.609 446 HA GLU 52 HA GLU 52 -5.831 10.750 8.972 447 HB2 GLU 52 HB2 GLU 52 -7.761 11.896 9.988 448 HB3 GLU 52 HB3 GLU 52 -7.962 12.840 8.515 449 HG2 GLU 52 HG2 GLU 52 -8.434 10.793 7.280 450 HG3 GLU 52 HG3 GLU 52 -8.289 9.861 8.767 451 H ALA 53 H ALA 53 -6.644 13.574 7.004 452 HA ALA 53 HA ALA 53 -6.779 12.203 4.549 453 HB1 ALA 53 HB1 ALA 53 -6.874 14.410 3.565 454 HB2 ALA 53 HB2 ALA 53 -6.262 15.127 5.057 455 HB3 ALA 53 HB3 ALA 53 -7.851 14.365 5.035 456 H ALA 54 H ALA 54 -4.177 13.634 6.354 457 HA ALA 54 HA ALA 54 -2.234 13.688 4.289 458 HB1 ALA 54 HB1 ALA 54 -1.895 13.518 7.282 459 HB2 ALA 54 HB2 ALA 54 -1.972 14.996 6.319 460 HB3 ALA 54 HB3 ALA 54 -0.614 13.888 6.125 461 H ASP 55 H ASP 55 -3.188 11.326 6.709 462 HA ASP 55 HA ASP 55 -1.280 9.326 6.190 463 HB2 ASP 55 HB2 ASP 55 -3.295 9.573 7.953 464 HB3 ASP 55 HB3 ASP 55 -4.067 8.541 6.771 465 H LYS 56 H LYS 56 -4.521 9.875 5.024 466 HA LYS 56 HA LYS 56 -4.836 7.870 3.176 467 HB2 LYS 56 HB2 LYS 56 -5.892 10.522 3.697 468 HB3 LYS 56 HB3 LYS 56 -6.007 10.066 1.998 469 HG2 LYS 56 HG2 LYS 56 -7.255 8.767 4.394 470 HG3 LYS 56 HG3 LYS 56 -8.026 9.466 2.974 471 HD2 LYS 56 HD2 LYS 56 -6.463 6.889 3.112 472 HD3 LYS 56 HD3 LYS 56 -8.192 7.085 2.840 473 HE2 LYS 56 HE2 LYS 56 -7.742 8.180 0.706 474 HE3 LYS 56 HE3 LYS 56 -6.007 7.999 0.980 475 HZ1 LYS 56 HZ1 LYS 56 -7.974 5.797 0.674 476 HZ2 LYS 56 HZ2 LYS 56 -6.341 5.579 1.064 477 HZ3 LYS 56 HZ3 LYS 56 -6.778 6.237 -0.438 478 H PHE 57 H PHE 57 -3.795 11.190 2.430 479 HA PHE 57 HA PHE 57 -2.966 10.752 -0.161 480 HB2 PHE 57 HB2 PHE 57 -3.105 12.988 0.926 481 HB3 PHE 57 HB3 PHE 57 -1.602 12.623 1.775 482 HD1 PHE 57 HD1 PHE 57 -2.169 11.570 -1.692 483 HD2 PHE 57 HD2 PHE 57 -0.429 14.522 0.834 484 HE1 PHE 57 HE1 PHE 57 -0.873 12.438 -3.593 485 HE2 PHE 57 HE2 PHE 57 0.872 15.381 -1.050 486 HZ PHE 57 HZ PHE 57 0.611 14.375 -3.292 487 H LYS 58 H LYS 58 -1.233 10.170 2.800 488 HA LYS 58 HA LYS 58 1.297 9.630 1.754 489 HB2 LYS 58 HB2 LYS 58 0.598 9.939 4.160 490 HB3 LYS 58 HB3 LYS 58 0.049 8.270 4.134 491 HG2 LYS 58 HG2 LYS 58 2.327 7.549 3.585 492 HG3 LYS 58 HG3 LYS 58 2.868 9.226 3.658 493 HD2 LYS 58 HD2 LYS 58 1.878 7.456 5.876 494 HD3 LYS 58 HD3 LYS 58 3.401 8.342 5.768 495 HE2 LYS 58 HE2 LYS 58 0.695 9.653 5.941 496 HE3 LYS 58 HE3 LYS 58 1.713 9.318 7.345 497 HZ1 LYS 58 HZ1 LYS 58 3.430 10.730 6.366 498 HZ2 LYS 58 HZ2 LYS 58 1.991 11.586 6.596 499 HZ3 LYS 58 HZ3 LYS 58 2.426 11.065 5.049 500 H GLU 59 H GLU 59 -1.425 7.439 2.423 501 HA GLU 59 HA GLU 59 0.000 5.154 1.508 502 HB2 GLU 59 HB2 GLU 59 -2.249 4.038 1.622 503 HB3 GLU 59 HB3 GLU 59 -1.628 4.696 3.113 504 HG2 GLU 59 HG2 GLU 59 -3.078 6.594 2.926 505 HG3 GLU 59 HG3 GLU 59 -3.641 6.045 1.351 506 H ILE 60 H ILE 60 -2.324 7.350 -0.031 507 HA ILE 60 HA ILE 60 -2.659 5.935 -2.457 508 HB ILE 60 HB ILE 60 -2.334 8.934 -2.381 509 HG12 ILE 60 HG12 ILE 60 -4.954 7.531 -1.897 510 HG13 ILE 60 HG13 ILE 60 -3.934 8.092 -0.574 511 HG21 ILE 60 HG21 ILE 60 -4.309 7.405 -4.009 512 HG22 ILE 60 HG22 ILE 60 -2.627 7.515 -4.508 513 HG23 ILE 60 HG23 ILE 60 -3.582 8.985 -4.319 514 HD11 ILE 60 HD11 ILE 60 -4.061 10.375 -1.499 515 HD12 ILE 60 HD12 ILE 60 -5.638 9.731 -1.048 516 HD13 ILE 60 HD13 ILE 60 -5.155 9.788 -2.746 517 H ASN 61 H ASN 61 -0.387 8.430 -1.499 518 HA ASN 61 HA ASN 61 1.063 8.550 -3.895 519 HB2 ASN 61 HB2 ASN 61 0.885 10.284 -2.069 520 HB3 ASN 61 HB3 ASN 61 2.005 9.298 -1.118 521 HD21 ASN 61 HD21 ASN 61 3.505 10.932 -1.069 522 HD22 ASN 61 HD22 ASN 61 4.467 11.350 -2.444 523 H ASN 62 H ASN 62 1.328 6.524 -1.066 524 HA ASN 62 HA ASN 62 3.904 5.464 -1.759 525 HB2 ASN 62 HB2 ASN 62 2.796 5.514 0.580 526 HB3 ASN 62 HB3 ASN 62 1.948 4.069 0.036 527 HD21 ASN 62 HD21 ASN 62 2.925 2.651 1.393 528 HD22 ASN 62 HD22 ASN 62 4.600 2.251 1.330 529 H ALA 63 H ALA 63 0.616 4.094 -1.767 530 HA ALA 63 HA ALA 63 1.121 1.678 -2.991 531 HB1 ALA 63 HB1 ALA 63 -1.311 3.424 -3.340 532 HB2 ALA 63 HB2 ALA 63 -1.036 2.264 -2.038 533 HB3 ALA 63 HB3 ALA 63 -1.222 1.700 -3.697 534 H HIS 64 H HIS 64 0.615 4.815 -4.478 535 HA HIS 64 HA HIS 64 0.539 4.319 -7.150 536 HB2 HIS 64 HB2 HIS 64 0.464 6.555 -6.485 537 HB3 HIS 64 HB3 HIS 64 1.925 6.423 -5.518 538 HD1 HIS 64 HD1 HIS 64 4.097 7.050 -6.606 539 HD2 HIS 64 HD2 HIS 64 0.963 6.781 -9.324 540 HE1 HIS 64 HE1 HIS 64 4.996 7.966 -8.762 541 HE2 HIS 64 HE2 HIS 64 3.028 7.971 -10.337 542 H ALA 65 H ALA 65 3.363 4.128 -5.061 543 HA ALA 65 HA ALA 65 5.064 3.377 -7.304 544 HB1 ALA 65 HB1 ALA 65 6.887 3.504 -5.675 545 HB2 ALA 65 HB2 ALA 65 5.718 3.838 -4.399 546 HB3 ALA 65 HB3 ALA 65 5.942 4.991 -5.714 547 H ILE 66 H ILE 66 3.741 2.067 -4.310 548 HA ILE 66 HA ILE 66 5.405 -0.113 -3.987 549 HB ILE 66 HB ILE 66 2.489 -0.099 -3.239 550 HG12 ILE 66 HG12 ILE 66 3.427 1.911 -2.344 551 HG13 ILE 66 HG13 ILE 66 3.328 0.749 -1.027 552 HG21 ILE 66 HG21 ILE 66 3.472 -2.271 -3.000 553 HG22 ILE 66 HG22 ILE 66 3.285 -1.567 -1.393 554 HG23 ILE 66 HG23 ILE 66 4.873 -1.599 -2.166 555 HD11 ILE 66 HD11 ILE 66 5.795 1.460 -2.586 556 HD12 ILE 66 HD12 ILE 66 5.707 0.274 -1.281 557 HD13 ILE 66 HD13 ILE 66 5.401 1.977 -0.947 558 H LEU 67 H LEU 67 2.206 -0.141 -5.597 559 HA LEU 67 HA LEU 67 2.323 -2.977 -5.878 560 HB2 LEU 67 HB2 LEU 67 0.446 -0.986 -7.136 561 HB3 LEU 67 HB3 LEU 67 0.259 -2.723 -7.231 562 HG LEU 67 HG LEU 67 -1.059 -2.544 -5.450 563 HD11 LEU 67 HD11 LEU 67 -0.039 -2.427 -3.260 564 HD12 LEU 67 HD12 LEU 67 1.433 -1.758 -3.964 565 HD13 LEU 67 HD13 LEU 67 0.944 -3.410 -4.348 566 HD21 LEU 67 HD21 LEU 67 0.096 0.187 -4.942 567 HD22 LEU 67 HD22 LEU 67 -1.316 -0.503 -4.139 568 HD23 LEU 67 HD23 LEU 67 -1.356 -0.180 -5.873 569 H THR 68 H THR 68 3.609 -0.458 -7.747 570 HA THR 68 HA THR 68 3.845 -2.246 -10.067 571 HB THR 68 HB THR 68 2.748 -0.156 -10.630 572 HG1 THR 68 HG1 THR 68 5.413 -0.452 -11.582 573 HG21 THR 68 HG21 THR 68 3.914 1.984 -10.408 574 HG22 THR 68 HG22 THR 68 5.234 1.173 -9.567 575 HG23 THR 68 HG23 THR 68 3.628 1.230 -8.843 576 H ASP 69 H ASP 69 5.495 -1.256 -7.411 577 HA ASP 69 HA ASP 69 8.124 -1.308 -8.712 578 HB2 ASP 69 HB2 ASP 69 7.702 0.460 -7.010 579 HB3 ASP 69 HB3 ASP 69 7.406 -0.805 -5.812 580 H ALA 70 H ALA 70 9.348 -3.067 -8.647 581 HA ALA 70 HA ALA 70 8.243 -5.544 -7.978 582 HB1 ALA 70 HB1 ALA 70 9.967 -5.322 -9.663 583 HB2 ALA 70 HB2 ALA 70 10.480 -6.454 -8.408 584 HB3 ALA 70 HB3 ALA 70 11.129 -4.814 -8.437 585 H THR 71 H THR 71 10.475 -3.456 -6.192 586 HA THR 71 HA THR 71 10.982 -5.524 -4.233 587 HB THR 71 HB THR 71 11.892 -2.647 -4.341 588 HG1 THR 71 HG1 THR 71 13.213 -5.117 -4.934 589 HG21 THR 71 HG21 THR 71 11.792 -3.532 -2.053 590 HG22 THR 71 HG22 THR 71 13.457 -3.274 -2.582 591 HG23 THR 71 HG23 THR 71 12.782 -4.905 -2.546 592 H LYS 72 H LYS 72 9.372 -2.351 -4.298 593 HA LYS 72 HA LYS 72 8.698 -2.312 -1.561 594 HB2 LYS 72 HB2 LYS 72 8.120 -0.738 -3.937 595 HB3 LYS 72 HB3 LYS 72 6.761 -0.807 -2.829 596 HG2 LYS 72 HG2 LYS 72 7.708 0.664 -1.482 597 HG3 LYS 72 HG3 LYS 72 9.164 -0.318 -1.360 598 HD2 LYS 72 HD2 LYS 72 9.474 2.030 -2.214 599 HD3 LYS 72 HD3 LYS 72 10.156 0.756 -3.218 600 HE2 LYS 72 HE2 LYS 72 8.362 0.919 -4.770 601 HE3 LYS 72 HE3 LYS 72 7.469 2.011 -3.709 602 HZ1 LYS 72 HZ1 LYS 72 10.101 2.643 -4.931 603 HZ2 LYS 72 HZ2 LYS 72 9.114 3.698 -4.052 604 HZ3 LYS 72 HZ3 LYS 72 8.615 3.141 -5.566 605 H ARG 73 H ARG 73 7.268 -3.840 -4.283 606 HA ARG 73 HA ARG 73 4.855 -4.539 -2.820 607 HB2 ARG 73 HB2 ARG 73 4.560 -4.103 -5.164 608 HB3 ARG 73 HB3 ARG 73 5.852 -5.217 -5.589 609 HG2 ARG 73 HG2 ARG 73 4.533 -7.091 -4.881 610 HG3 ARG 73 HG3 ARG 73 3.250 -6.018 -4.308 611 HD2 ARG 73 HD2 ARG 73 2.935 -5.191 -6.599 612 HD3 ARG 73 HD3 ARG 73 4.191 -6.288 -7.161 613 HE ARG 73 HE ARG 73 2.335 -7.864 -5.867 614 HH11 ARG 73 HH11 ARG 73 2.372 -5.704 -8.620 615 HH12 ARG 73 HH12 ARG 73 1.082 -6.523 -9.442 616 HH21 ARG 73 HH21 ARG 73 0.619 -8.936 -6.933 617 HH22 ARG 73 HH22 ARG 73 0.082 -8.365 -8.481 618 H ASN 74 H ASN 74 7.863 -5.902 -3.872 619 HA ASN 74 HA ASN 74 7.558 -8.565 -3.243 620 HB2 ASN 74 HB2 ASN 74 9.558 -7.654 -4.345 621 HB3 ASN 74 HB3 ASN 74 10.010 -6.848 -2.850 622 HD21 ASN 74 HD21 ASN 74 10.777 -8.038 -1.142 623 HD22 ASN 74 HD22 ASN 74 11.388 -9.641 -1.339 624 H ILE 75 H ILE 75 9.029 -6.122 -1.033 625 HA ILE 75 HA ILE 75 8.993 -7.974 1.125 626 HB ILE 75 HB ILE 75 9.769 -6.323 2.579 627 HG12 ILE 75 HG12 ILE 75 8.042 -4.620 2.208 628 HG13 ILE 75 HG13 ILE 75 9.653 -3.916 2.204 629 HG21 ILE 75 HG21 ILE 75 10.772 -5.584 -0.148 630 HG22 ILE 75 HG22 ILE 75 11.361 -6.896 0.874 631 HG23 ILE 75 HG23 ILE 75 11.569 -5.219 1.382 632 HD11 ILE 75 HD11 ILE 75 8.008 -4.559 -0.227 633 HD12 ILE 75 HD12 ILE 75 9.608 -3.803 -0.216 634 HD13 ILE 75 HD13 ILE 75 8.228 -2.958 0.489 635 H TYR 76 H TYR 76 6.685 -5.705 -0.094 636 HA TYR 76 HA TYR 76 4.971 -5.410 2.065 637 HB2 TYR 76 HB2 TYR 76 4.427 -4.115 0.208 638 HB3 TYR 76 HB3 TYR 76 4.617 -5.459 -0.910 639 HD1 TYR 76 HD1 TYR 76 2.791 -7.109 -1.181 640 HD2 TYR 76 HD2 TYR 76 2.349 -3.672 1.286 641 HE1 TYR 76 HE1 TYR 76 0.354 -7.435 -1.175 642 HE2 TYR 76 HE2 TYR 76 -0.085 -3.985 1.302 643 HH TYR 76 HH TYR 76 -1.814 -5.076 -0.097 644 H ASP 77 H ASP 77 5.235 -8.009 -0.291 645 HA ASP 77 HA ASP 77 3.106 -9.503 1.024 646 HB2 ASP 77 HB2 ASP 77 3.073 -9.505 -1.388 647 HB3 ASP 77 HB3 ASP 77 4.736 -10.091 -1.454 648 H LYS 78 H LYS 78 6.581 -9.523 0.727 649 HA LYS 78 HA LYS 78 6.934 -12.177 1.740 650 HB2 LYS 78 HB2 LYS 78 8.674 -9.991 0.893 651 HB3 LYS 78 HB3 LYS 78 9.320 -10.913 2.240 652 HG2 LYS 78 HG2 LYS 78 10.187 -12.136 0.543 653 HG3 LYS 78 HG3 LYS 78 8.635 -12.953 0.695 654 HD2 LYS 78 HD2 LYS 78 9.158 -10.702 -1.227 655 HD3 LYS 78 HD3 LYS 78 9.325 -12.403 -1.653 656 HE2 LYS 78 HE2 LYS 78 6.813 -11.075 -0.656 657 HE3 LYS 78 HE3 LYS 78 7.165 -11.451 -2.342 658 HZ1 LYS 78 HZ1 LYS 78 5.720 -13.096 -1.225 659 HZ2 LYS 78 HZ2 LYS 78 6.997 -13.480 -0.182 660 HZ3 LYS 78 HZ3 LYS 78 7.147 -13.773 -1.839 661 H TYR 79 H TYR 79 7.710 -9.012 3.174 662 HA TYR 79 HA TYR 79 7.662 -10.279 5.827 663 HB2 TYR 79 HB2 TYR 79 8.859 -7.611 5.031 664 HB3 TYR 79 HB3 TYR 79 9.025 -8.407 6.589 665 HD1 TYR 79 HD1 TYR 79 10.124 -8.386 3.092 666 HD2 TYR 79 HD2 TYR 79 10.561 -10.262 6.883 667 HE1 TYR 79 HE1 TYR 79 12.175 -9.491 2.302 668 HE2 TYR 79 HE2 TYR 79 12.612 -11.369 6.108 669 HH TYR 79 HH TYR 79 13.690 -12.024 4.058 670 H GLY 80 H GLY 80 6.968 -7.164 4.311 671 HA2 GLY 80 HA2 GLY 80 5.029 -5.938 4.242 672 HA3 GLY 80 HA3 GLY 80 4.205 -7.255 5.057 673 H SER 81 H SER 81 5.639 -7.272 7.482 674 HA SER 81 HA SER 81 4.349 -5.024 8.727 675 HB2 SER 81 HB2 SER 81 6.101 -7.160 9.968 676 HB3 SER 81 HB3 SER 81 5.036 -6.052 10.834 677 HG SER 81 HG SER 81 3.599 -7.251 8.951 678 H LEU 82 H LEU 82 7.697 -6.226 8.929 679 HA LEU 82 HA LEU 82 8.630 -3.601 9.685 680 HB2 LEU 82 HB2 LEU 82 9.738 -5.419 10.736 681 HB3 LEU 82 HB3 LEU 82 9.999 -6.239 9.211 682 HG LEU 82 HG LEU 82 11.642 -4.536 8.561 683 HD11 LEU 82 HD11 LEU 82 10.724 -2.631 9.782 684 HD12 LEU 82 HD12 LEU 82 12.429 -2.879 10.159 685 HD13 LEU 82 HD13 LEU 82 11.188 -3.383 11.310 686 HD21 LEU 82 HD21 LEU 82 13.384 -5.155 10.146 687 HD22 LEU 82 HD22 LEU 82 12.382 -6.543 9.724 688 HD23 LEU 82 HD23 LEU 82 12.161 -5.734 11.275 689 H GLY 83 H GLY 83 9.305 -5.833 7.012 690 HA2 GLY 83 HA2 GLY 83 11.129 -4.454 5.573 691 HA3 GLY 83 HA3 GLY 83 9.922 -5.483 4.830 692 H LEU 84 H LEU 84 7.624 -3.892 5.301 693 HA LEU 84 HA LEU 84 8.027 -2.074 3.104 694 HB2 LEU 84 HB2 LEU 84 5.994 -3.487 3.351 695 HB3 LEU 84 HB3 LEU 84 5.528 -2.517 4.734 696 HG LEU 84 HG LEU 84 5.446 -0.519 3.241 697 HD11 LEU 84 HD11 LEU 84 5.835 -2.568 1.057 698 HD12 LEU 84 HD12 LEU 84 6.946 -1.266 1.482 699 HD13 LEU 84 HD13 LEU 84 5.361 -0.888 0.810 700 HD21 LEU 84 HD21 LEU 84 3.688 -2.852 2.509 701 HD22 LEU 84 HD22 LEU 84 3.345 -1.163 2.142 702 HD23 LEU 84 HD23 LEU 84 3.420 -1.701 3.819 703 H TYR 85 H TYR 85 7.191 -1.774 6.530 704 HA TYR 85 HA TYR 85 6.790 1.007 6.555 705 HB2 TYR 85 HB2 TYR 85 6.072 0.410 8.590 706 HB3 TYR 85 HB3 TYR 85 6.864 -1.151 8.452 707 HD1 TYR 85 HD2 TYR 85 9.117 -1.482 9.401 708 HD2 TYR 85 HD1 TYR 85 7.037 2.198 9.864 709 HE1 TYR 85 HE2 TYR 85 10.666 -0.842 11.196 710 HE2 TYR 85 HE1 TYR 85 8.589 2.856 11.658 711 HH TYR 85 HH TYR 85 10.092 1.788 13.275 712 H VAL 86 H VAL 86 9.683 -0.959 7.029 713 HA VAL 86 HA VAL 86 11.349 1.266 7.673 714 HB VAL 86 HB VAL 86 12.024 -0.860 8.511 715 HG11 VAL 86 HG11 VAL 86 10.914 -2.227 6.788 716 HG12 VAL 86 HG12 VAL 86 12.544 -2.762 7.176 717 HG13 VAL 86 HG13 VAL 86 12.245 -1.865 5.688 718 HG21 VAL 86 HG21 VAL 86 13.927 0.438 8.055 719 HG22 VAL 86 HG22 VAL 86 13.829 0.105 6.326 720 HG23 VAL 86 HG23 VAL 86 14.286 -1.182 7.447 721 H ALA 87 H ALA 87 10.405 -0.370 4.722 722 HA ALA 87 HA ALA 87 12.420 0.761 3.067 723 HB1 ALA 87 HB1 ALA 87 11.081 0.025 1.202 724 HB2 ALA 87 HB2 ALA 87 9.703 -0.260 2.266 725 HB3 ALA 87 HB3 ALA 87 11.162 -1.239 2.427 726 H GLU 88 H GLU 88 9.257 1.820 4.121 727 HA GLU 88 HA GLU 88 8.937 3.937 2.272 728 HB2 GLU 88 HB2 GLU 88 7.803 3.429 5.010 729 HB3 GLU 88 HB3 GLU 88 7.404 4.874 4.095 730 HG2 GLU 88 HG2 GLU 88 6.573 3.406 2.265 731 HG3 GLU 88 HG3 GLU 88 6.838 2.022 3.326 732 H GLN 89 H GLN 89 10.321 3.804 5.521 733 HA GLN 89 HA GLN 89 10.863 6.656 5.457 734 HB2 GLN 89 HB2 GLN 89 11.378 4.585 7.595 735 HB3 GLN 89 HB3 GLN 89 11.626 6.317 7.777 736 HG2 GLN 89 HG2 GLN 89 9.291 6.748 7.533 737 HG3 GLN 89 HG3 GLN 89 8.977 5.067 7.110 738 HE21 GLN 89 HE21 GLN 89 11.202 6.009 9.640 739 HE22 GLN 89 HE22 GLN 89 10.235 5.436 10.956 740 H PHE 90 H PHE 90 12.677 3.613 5.505 741 HA PHE 90 HA PHE 90 15.178 5.121 5.477 742 HB2 PHE 90 HB2 PHE 90 14.611 2.182 5.891 743 HB3 PHE 90 HB3 PHE 90 16.237 2.868 5.813 744 HD1 PHE 90 HD1 PHE 90 13.110 2.761 7.743 745 HD2 PHE 90 HD2 PHE 90 17.163 4.048 7.657 746 HE1 PHE 90 HE1 PHE 90 13.001 3.256 10.149 747 HE2 PHE 90 HE2 PHE 90 17.063 4.545 10.064 748 HZ PHE 90 HZ PHE 90 14.985 4.142 11.315 749 H GLY 91 H GLY 91 13.194 3.161 3.370 750 HA2 GLY 91 HA2 GLY 91 13.505 3.352 0.988 751 HA3 GLY 91 HA3 GLY 91 15.228 3.568 1.270 752 H GLU 92 H GLU 92 13.391 1.543 -0.198 753 HA GLU 92 HA GLU 92 13.324 -0.900 1.131 754 HB2 GLU 92 HB2 GLU 92 13.768 -1.055 -1.783 755 HB3 GLU 92 HB3 GLU 92 12.497 -1.759 -0.798 756 HG2 GLU 92 HG2 GLU 92 11.350 -0.270 -2.095 757 HG3 GLU 92 HG3 GLU 92 11.630 0.650 -0.623 758 H GLU 93 H GLU 93 15.632 0.160 -1.329 759 HA GLU 93 HA GLU 93 17.290 -2.089 -1.239 760 HB2 GLU 93 HB2 GLU 93 18.990 -0.684 -2.301 761 HB3 GLU 93 HB3 GLU 93 17.408 -0.404 -3.016 762 HG2 GLU 93 HG2 GLU 93 17.159 1.634 -1.727 763 HG3 GLU 93 HG3 GLU 93 18.699 1.339 -0.933 764 H ASN 94 H ASN 94 17.033 0.583 0.938 765 HA ASN 94 HA ASN 94 19.672 0.222 2.045 766 HB2 ASN 94 HB2 ASN 94 17.417 2.114 2.559 767 HB3 ASN 94 HB3 ASN 94 18.696 1.936 3.750 768 HD21 ASN 94 HD21 ASN 94 19.443 4.018 3.461 769 HD22 ASN 94 HD22 ASN 94 20.291 4.513 2.041 770 H VAL 95 H VAL 95 16.369 -0.499 2.909 771 HA VAL 95 HA VAL 95 16.393 -1.033 5.560 772 HB VAL 95 HB VAL 95 14.579 -2.513 5.326 773 HG11 VAL 95 HG11 VAL 95 14.489 -0.755 2.892 774 HG12 VAL 95 HG12 VAL 95 14.147 -0.230 4.536 775 HG13 VAL 95 HG13 VAL 95 13.110 -1.427 3.761 776 HG21 VAL 95 HG21 VAL 95 15.462 -3.052 2.494 777 HG22 VAL 95 HG22 VAL 95 14.004 -3.690 3.259 778 HG23 VAL 95 HG23 VAL 95 15.598 -4.165 3.860 779 H ASN 96 H ASN 96 17.942 -2.951 3.114 780 HA ASN 96 HA ASN 96 18.163 -5.390 4.421 781 HB2 ASN 96 HB2 ASN 96 18.710 -4.865 2.012 782 HB3 ASN 96 HB3 ASN 96 20.250 -4.226 2.584 783 HD21 ASN 96 HD21 ASN 96 21.837 -5.628 3.255 784 HD22 ASN 96 HD22 ASN 96 21.729 -7.340 3.054 785 H THR 97 H THR 97 19.658 -2.402 5.097 786 HA THR 97 HA THR 97 21.996 -3.272 6.410 787 HB THR 97 HB THR 97 21.639 -0.932 5.761 788 HG1 THR 97 HG1 THR 97 23.033 -1.485 7.586 789 HG21 THR 97 HG21 THR 97 19.293 -0.644 6.157 790 HG22 THR 97 HG22 THR 97 20.166 0.509 7.172 791 HG23 THR 97 HG23 THR 97 19.497 -0.960 7.884 792 H TYR 98 H TYR 98 18.678 -2.825 7.483 793 HA TYR 98 HA TYR 98 19.363 -3.553 10.220 794 HB2 TYR 98 HB2 TYR 98 17.766 -1.704 9.764 795 HB3 TYR 98 HB3 TYR 98 16.678 -2.862 8.994 796 HD1 TYR 98 HD2 TYR 98 18.308 -2.018 12.225 797 HD2 TYR 98 HD1 TYR 98 15.126 -4.072 10.289 798 HE1 TYR 98 HE2 TYR 98 17.275 -2.465 14.410 799 HE2 TYR 98 HE1 TYR 98 14.082 -4.523 12.470 800 HH TYR 98 HH TYR 98 14.775 -4.699 14.842 801 H PHE 99 H PHE 99 18.274 -4.944 7.329 802 HA PHE 99 HA PHE 99 17.162 -7.315 8.576 803 HB2 PHE 99 HB2 PHE 99 17.493 -6.349 5.757 804 HB3 PHE 99 HB3 PHE 99 17.133 -8.038 6.058 805 HD1 PHE 99 HD2 PHE 99 15.889 -4.614 6.279 806 HD2 PHE 99 HD1 PHE 99 15.000 -8.729 6.852 807 HE1 PHE 99 HE2 PHE 99 13.505 -4.061 6.429 808 HE2 PHE 99 HE1 PHE 99 12.595 -8.193 7.002 809 HZ PHE 99 HZ PHE 99 11.841 -5.853 6.788 810 H VAL 100 H VAL 100 18.152 -9.208 6.728 811 HA VAL 100 HA VAL 100 20.284 -10.321 7.970 812 HB VAL 100 HB VAL 100 19.023 -11.627 6.443 813 HG11 VAL 100 HG11 VAL 100 19.023 -11.276 4.024 814 HG12 VAL 100 HG12 VAL 100 20.016 -9.834 4.231 815 HG13 VAL 100 HG13 VAL 100 18.375 -9.875 4.877 816 HG21 VAL 100 HG21 VAL 100 21.313 -12.357 6.690 817 HG22 VAL 100 HG22 VAL 100 21.824 -11.286 5.387 818 HG23 VAL 100 HG23 VAL 100 20.768 -12.655 5.041 Start of MODEL 9 1 H1 MET -4 H1 MET -4 -16.342 -13.251 8.409 2 H2 MET -4 H2 MET -4 -16.905 -14.521 9.366 3 H3 MET -4 H3 MET -4 -16.833 -12.954 9.999 4 HA MET -4 HA MET -4 -19.092 -13.539 9.451 5 HB2 MET -4 HB2 MET -4 -17.834 -11.485 7.623 6 HB3 MET -4 HB3 MET -4 -19.567 -11.651 7.869 7 HG2 MET -4 HG2 MET -4 -19.296 -11.133 10.229 8 HG3 MET -4 HG3 MET -4 -17.552 -11.008 10.012 9 HE1 MET -4 HE1 MET -4 -16.338 -9.025 8.752 10 HE2 MET -4 HE2 MET -4 -17.197 -7.825 7.786 11 HE3 MET -4 HE3 MET -4 -17.201 -9.517 7.296 12 H ARG -3 H ARG -3 -20.669 -13.897 7.702 13 HA ARG -3 HA ARG -3 -19.551 -15.188 5.320 14 HB2 ARG -3 HB2 ARG -3 -21.477 -16.483 7.257 15 HB3 ARG -3 HB3 ARG -3 -21.168 -17.093 5.639 16 HG2 ARG -3 HG2 ARG -3 -18.870 -17.532 6.189 17 HG3 ARG -3 HG3 ARG -3 -19.066 -16.775 7.770 18 HD2 ARG -3 HD2 ARG -3 -20.516 -19.240 6.814 19 HD3 ARG -3 HD3 ARG -3 -19.125 -19.229 7.899 20 HE ARG -3 HE ARG -3 -21.112 -17.582 8.985 21 HH11 ARG -3 HH11 ARG -3 -20.526 -20.979 8.360 22 HH12 ARG -3 HH12 ARG -3 -21.540 -21.516 9.661 23 HH21 ARG -3 HH21 ARG -3 -22.440 -18.286 10.688 24 HH22 ARG -3 HH22 ARG -3 -22.647 -19.986 10.973 25 H SER -2 H SER -2 -20.813 -12.682 5.589 26 HA SER -2 HA SER -2 -23.582 -12.778 5.008 27 HB2 SER -2 HB2 SER -2 -21.581 -10.591 4.389 28 HB3 SER -2 HB3 SER -2 -23.332 -10.409 4.480 29 HG SER -2 HG SER -2 -23.164 -11.080 6.700 30 HA PRO -1 HA PRO -1 -23.596 -14.045 0.722 31 HB2 PRO -1 HB2 PRO -1 -25.932 -12.196 0.640 32 HB3 PRO -1 HB3 PRO -1 -25.804 -13.871 0.092 33 HG2 PRO -1 HG2 PRO -1 -27.078 -13.285 2.350 34 HG3 PRO -1 HG3 PRO -1 -26.056 -14.729 2.232 35 HD2 PRO -1 HD2 PRO -1 -25.502 -12.118 3.572 36 HD3 PRO -1 HD3 PRO -1 -25.042 -13.761 4.063 37 H GLY 0 H GLY 0 -22.253 -13.207 -0.716 38 HA2 GLY 0 HA2 GLY 0 -21.866 -11.447 -2.379 39 HA3 GLY 0 HA3 GLY 0 -22.246 -10.281 -1.117 40 H MET 1 H MET 1 -20.786 -11.788 0.915 41 HA MET 1 HA MET 1 -18.189 -10.677 0.535 42 HB2 MET 1 HB2 MET 1 -19.184 -10.889 2.763 43 HB3 MET 1 HB3 MET 1 -19.220 -12.638 2.597 44 HG2 MET 1 HG2 MET 1 -16.765 -12.659 2.489 45 HG3 MET 1 HG3 MET 1 -16.759 -10.910 2.722 46 HE1 MET 1 HE1 MET 1 -15.114 -12.937 4.555 47 HE2 MET 1 HE2 MET 1 -15.428 -12.257 6.151 48 HE3 MET 1 HE3 MET 1 -15.111 -11.188 4.784 49 H ALA 2 H ALA 2 -16.337 -11.620 -0.100 50 HA ALA 2 HA ALA 2 -16.295 -13.807 -1.785 51 HB1 ALA 2 HB1 ALA 2 -14.534 -12.120 -1.715 52 HB2 ALA 2 HB2 ALA 2 -13.866 -13.744 -1.568 53 HB3 ALA 2 HB3 ALA 2 -14.014 -12.720 -0.141 54 H ASP 3 H ASP 3 -16.655 -15.860 -1.406 55 HA ASP 3 HA ASP 3 -16.998 -17.015 1.099 56 HB2 ASP 3 HB2 ASP 3 -16.425 -18.319 -1.562 57 HB3 ASP 3 HB3 ASP 3 -16.905 -19.201 -0.117 58 H GLN 4 H GLN 4 -15.713 -17.960 2.531 59 HA GLN 4 HA GLN 4 -12.878 -17.662 2.151 60 HB2 GLN 4 HB2 GLN 4 -12.754 -18.444 4.533 61 HB3 GLN 4 HB3 GLN 4 -13.703 -16.988 4.276 62 HG2 GLN 4 HG2 GLN 4 -15.757 -18.292 4.402 63 HG3 GLN 4 HG3 GLN 4 -14.814 -19.763 4.631 64 HE21 GLN 4 HE21 GLN 4 -12.848 -18.436 6.337 65 HE22 GLN 4 HE22 GLN 4 -13.628 -18.197 7.860 66 H ARG 5 H ARG 5 -11.881 -19.143 0.982 67 HA ARG 5 HA ARG 5 -12.386 -21.976 1.559 68 HB2 ARG 5 HB2 ARG 5 -10.663 -20.766 -0.615 69 HB3 ARG 5 HB3 ARG 5 -11.099 -22.460 -0.450 70 HG2 ARG 5 HG2 ARG 5 -12.962 -20.177 -1.059 71 HG3 ARG 5 HG3 ARG 5 -12.424 -21.433 -2.176 72 HD2 ARG 5 HD2 ARG 5 -13.561 -23.125 -0.892 73 HD3 ARG 5 HD3 ARG 5 -13.991 -21.946 0.347 74 HE ARG 5 HE ARG 5 -14.948 -21.352 -2.317 75 HH11 ARG 5 HH11 ARG 5 -15.653 -22.825 0.785 76 HH12 ARG 5 HH12 ARG 5 -17.371 -22.755 0.564 77 HH21 ARG 5 HH21 ARG 5 -17.192 -21.254 -2.602 78 HH22 ARG 5 HH22 ARG 5 -18.247 -21.865 -1.368 79 H GLN 6 H GLN 6 -10.041 -19.438 1.690 80 HA GLN 6 HA GLN 6 -8.616 -20.871 3.777 81 HB2 GLN 6 HB2 GLN 6 -7.324 -19.681 1.326 82 HB3 GLN 6 HB3 GLN 6 -6.435 -19.905 2.817 83 HG2 GLN 6 HG2 GLN 6 -6.944 -22.324 2.699 84 HG3 GLN 6 HG3 GLN 6 -7.723 -22.042 1.142 85 HE21 GLN 6 HE21 GLN 6 -4.721 -22.211 2.855 86 HE22 GLN 6 HE22 GLN 6 -3.691 -22.188 1.467 87 H ARG 7 H ARG 7 -7.568 -19.385 5.267 88 HA ARG 7 HA ARG 7 -8.993 -17.040 5.750 89 HB2 ARG 7 HB2 ARG 7 -7.932 -17.930 7.609 90 HB3 ARG 7 HB3 ARG 7 -6.441 -18.248 6.735 91 HG2 ARG 7 HG2 ARG 7 -6.018 -16.527 8.291 92 HG3 ARG 7 HG3 ARG 7 -6.036 -15.811 6.681 93 HD2 ARG 7 HD2 ARG 7 -7.218 -14.371 8.231 94 HD3 ARG 7 HD3 ARG 7 -8.349 -15.057 7.065 95 HE ARG 7 HE ARG 7 -8.457 -16.769 9.181 96 HH11 ARG 7 HH11 ARG 7 -8.915 -13.318 8.797 97 HH12 ARG 7 HH12 ARG 7 -10.040 -13.198 10.113 98 HH21 ARG 7 HH21 ARG 7 -9.928 -16.609 10.907 99 HH22 ARG 7 HH22 ARG 7 -10.611 -15.066 11.315 100 H SER 8 H SER 8 -5.915 -17.624 4.185 101 HA SER 8 HA SER 8 -5.134 -14.934 3.892 102 HB2 SER 8 HB2 SER 8 -3.569 -16.016 2.148 103 HB3 SER 8 HB3 SER 8 -3.428 -16.536 3.828 104 HG SER 8 HG SER 8 -3.593 -18.189 2.028 105 H LEU 9 H LEU 9 -6.750 -17.192 1.646 106 HA LEU 9 HA LEU 9 -6.663 -15.253 -0.472 107 HB2 LEU 9 HB2 LEU 9 -7.684 -16.883 -1.861 108 HB3 LEU 9 HB3 LEU 9 -6.501 -17.700 -0.862 109 HG LEU 9 HG LEU 9 -8.550 -18.309 0.630 110 HD11 LEU 9 HD11 LEU 9 -10.174 -16.890 -0.539 111 HD12 LEU 9 HD12 LEU 9 -10.621 -18.593 -0.610 112 HD13 LEU 9 HD13 LEU 9 -9.905 -17.811 -2.019 113 HD21 LEU 9 HD21 LEU 9 -8.796 -20.355 -0.603 114 HD22 LEU 9 HD22 LEU 9 -7.114 -19.837 -0.696 115 HD23 LEU 9 HD23 LEU 9 -8.189 -19.592 -2.071 116 H SER 10 H SER 10 -8.901 -16.137 2.003 117 HA SER 10 HA SER 10 -11.182 -14.848 0.864 118 HB2 SER 10 HB2 SER 10 -11.380 -16.581 2.610 119 HB3 SER 10 HB3 SER 10 -10.566 -15.513 3.742 120 HG SER 10 HG SER 10 -12.975 -14.810 2.424 121 H THR 11 H THR 11 -8.943 -14.002 3.467 122 HA THR 11 HA THR 11 -9.464 -11.163 2.908 123 HB THR 11 HB THR 11 -8.653 -10.954 5.399 124 HG1 THR 11 HG1 THR 11 -8.318 -13.335 5.447 125 HG21 THR 11 HG21 THR 11 -10.984 -11.066 6.157 126 HG22 THR 11 HG22 THR 11 -11.420 -11.922 4.677 127 HG23 THR 11 HG23 THR 11 -10.851 -10.254 4.598 128 H SER 12 H SER 12 -7.751 -10.663 1.649 129 HA SER 12 HA SER 12 -5.188 -11.842 1.905 130 HB2 SER 12 HB2 SER 12 -6.139 -10.807 -0.201 131 HB3 SER 12 HB3 SER 12 -5.861 -9.230 0.529 132 HG SER 12 HG SER 12 -3.835 -11.175 0.140 133 H GLY 13 H GLY 13 -6.747 -9.129 3.356 134 HA2 GLY 13 HA2 GLY 13 -6.071 -7.702 5.028 135 HA3 GLY 13 HA3 GLY 13 -4.593 -8.646 5.169 136 H GLU 14 H GLU 14 -5.644 -7.363 2.147 137 HA GLU 14 HA GLU 14 -3.142 -6.158 1.660 138 HB2 GLU 14 HB2 GLU 14 -4.102 -5.515 -0.465 139 HB3 GLU 14 HB3 GLU 14 -4.559 -7.164 -0.081 140 HG2 GLU 14 HG2 GLU 14 -6.277 -4.707 0.066 141 HG3 GLU 14 HG3 GLU 14 -6.412 -6.063 -1.048 142 H SER 15 H SER 15 -2.645 -3.973 1.342 143 HA SER 15 HA SER 15 -4.352 -2.178 2.931 144 HB2 SER 15 HB2 SER 15 -2.331 -2.920 4.173 145 HB3 SER 15 HB3 SER 15 -1.325 -2.210 2.912 146 HG SER 15 HG SER 15 -1.490 -0.674 4.466 147 H LEU 16 H LEU 16 -1.542 -2.017 0.721 148 HA LEU 16 HA LEU 16 -1.962 0.626 -0.083 149 HB2 LEU 16 HB2 LEU 16 -0.577 -1.663 -1.459 150 HB3 LEU 16 HB3 LEU 16 -0.590 -0.041 -2.108 151 HG LEU 16 HG LEU 16 1.489 -0.432 -1.015 152 HD11 LEU 16 HD11 LEU 16 1.535 1.380 0.623 153 HD12 LEU 16 HD12 LEU 16 -0.226 1.365 0.682 154 HD13 LEU 16 HD13 LEU 16 0.601 1.816 -0.808 155 HD21 LEU 16 HD21 LEU 16 1.702 -0.958 1.345 156 HD22 LEU 16 HD22 LEU 16 0.823 -2.226 0.490 157 HD23 LEU 16 HD23 LEU 16 -0.054 -1.065 1.486 158 H TYR 17 H TYR 17 -2.828 -2.391 -1.718 159 HA TYR 17 HA TYR 17 -4.253 -1.367 -3.858 160 HB2 TYR 17 HB2 TYR 17 -4.757 -3.875 -2.244 161 HB3 TYR 17 HB3 TYR 17 -5.585 -3.508 -3.751 162 HD1 TYR 17 HD2 TYR 17 -4.097 -3.151 -5.840 163 HD2 TYR 17 HD1 TYR 17 -2.723 -4.997 -2.266 164 HE1 TYR 17 HE2 TYR 17 -2.242 -4.177 -7.086 165 HE2 TYR 17 HE1 TYR 17 -0.865 -6.025 -3.498 166 HH TYR 17 HH TYR 17 -0.213 -6.612 -5.695 167 H HIS 18 H HIS 18 -5.205 -1.650 -0.507 168 HA HIS 18 HA HIS 18 -8.002 -1.294 -0.911 169 HB2 HIS 18 HB2 HIS 18 -7.016 -2.408 1.081 170 HB3 HIS 18 HB3 HIS 18 -6.371 -0.857 1.600 171 HD1 HIS 18 HD1 HIS 18 -7.875 0.580 2.989 172 HD2 HIS 18 HD2 HIS 18 -9.916 -2.513 1.116 173 HE1 HIS 18 HE1 HIS 18 -10.199 0.630 3.943 174 HE2 HIS 18 HE2 HIS 18 -11.344 -1.382 2.949 175 H VAL 19 H VAL 19 -5.298 0.892 -0.379 176 HA VAL 19 HA VAL 19 -6.910 3.162 0.280 177 HB VAL 19 HB VAL 19 -4.998 4.257 0.679 178 HG11 VAL 19 HG11 VAL 19 -4.284 2.258 1.668 179 HG12 VAL 19 HG12 VAL 19 -2.900 2.833 0.737 180 HG13 VAL 19 HG13 VAL 19 -3.897 1.526 0.113 181 HG21 VAL 19 HG21 VAL 19 -3.034 4.246 -0.960 182 HG22 VAL 19 HG22 VAL 19 -4.533 5.011 -1.483 183 HG23 VAL 19 HG23 VAL 19 -4.122 3.391 -2.066 184 H LEU 20 H LEU 20 -5.610 1.806 -2.668 185 HA LEU 20 HA LEU 20 -6.444 4.100 -4.238 186 HB2 LEU 20 HB2 LEU 20 -4.920 1.593 -4.830 187 HB3 LEU 20 HB3 LEU 20 -5.556 2.571 -6.139 188 HG LEU 20 HG LEU 20 -3.550 3.442 -4.054 189 HD11 LEU 20 HD11 LEU 20 -2.575 1.995 -5.722 190 HD12 LEU 20 HD12 LEU 20 -2.042 3.660 -5.986 191 HD13 LEU 20 HD13 LEU 20 -3.294 2.957 -7.015 192 HD21 LEU 20 HD21 LEU 20 -4.925 5.318 -4.566 193 HD22 LEU 20 HD22 LEU 20 -4.858 4.972 -6.295 194 HD23 LEU 20 HD23 LEU 20 -3.407 5.505 -5.440 195 H GLY 21 H GLY 21 -7.802 1.299 -3.096 196 HA2 GLY 21 HA2 GLY 21 -9.948 0.518 -3.336 197 HA3 GLY 21 HA3 GLY 21 -10.246 1.834 -4.457 198 H LEU 22 H LEU 22 -7.575 -0.009 -5.399 199 HA LEU 22 HA LEU 22 -9.252 -1.500 -7.290 200 HB2 LEU 22 HB2 LEU 22 -6.993 -1.802 -8.504 201 HB3 LEU 22 HB3 LEU 22 -7.819 -0.268 -8.621 202 HG LEU 22 HG LEU 22 -6.295 0.517 -6.723 203 HD11 LEU 22 HD11 LEU 22 -5.513 -1.676 -6.004 204 HD12 LEU 22 HD12 LEU 22 -4.170 -0.649 -6.507 205 HD13 LEU 22 HD13 LEU 22 -4.753 -1.926 -7.577 206 HD21 LEU 22 HD21 LEU 22 -5.081 -0.186 -9.391 207 HD22 LEU 22 HD22 LEU 22 -4.506 1.047 -8.268 208 HD23 LEU 22 HD23 LEU 22 -6.076 1.231 -9.045 209 H ASP 23 H ASP 23 -8.364 -3.646 -7.944 210 HA ASP 23 HA ASP 23 -7.792 -5.138 -5.517 211 HB2 ASP 23 HB2 ASP 23 -9.600 -5.817 -7.109 212 HB3 ASP 23 HB3 ASP 23 -8.362 -6.203 -8.278 213 H LYS 24 H LYS 24 -6.460 -7.256 -6.271 214 HA LYS 24 HA LYS 24 -3.777 -6.163 -6.441 215 HB2 LYS 24 HB2 LYS 24 -3.063 -8.340 -5.727 216 HB3 LYS 24 HB3 LYS 24 -4.479 -7.915 -4.777 217 HG2 LYS 24 HG2 LYS 24 -5.724 -9.204 -6.682 218 HG3 LYS 24 HG3 LYS 24 -4.156 -9.957 -6.901 219 HD2 LYS 24 HD2 LYS 24 -5.332 -11.358 -5.415 220 HD3 LYS 24 HD3 LYS 24 -4.206 -10.440 -4.409 221 HE2 LYS 24 HE2 LYS 24 -5.944 -8.938 -3.729 222 HE3 LYS 24 HE3 LYS 24 -7.075 -9.657 -4.877 223 HZ1 LYS 24 HZ1 LYS 24 -5.881 -11.057 -2.544 224 HZ2 LYS 24 HZ2 LYS 24 -7.013 -11.702 -3.619 225 HZ3 LYS 24 HZ3 LYS 24 -7.446 -10.423 -2.606 226 H ASN 25 H ASN 25 -5.908 -6.755 -8.670 227 HA ASN 25 HA ASN 25 -4.146 -8.213 -10.505 228 HB2 ASN 25 HB2 ASN 25 -7.141 -7.915 -10.369 229 HB3 ASN 25 HB3 ASN 25 -6.342 -8.431 -11.850 230 HD21 ASN 25 HD21 ASN 25 -7.073 -9.267 -8.520 231 HD22 ASN 25 HD22 ASN 25 -6.714 -10.952 -8.694 232 H ALA 26 H ALA 26 -4.683 -5.226 -9.608 233 HA ALA 26 HA ALA 26 -5.162 -3.910 -12.102 234 HB1 ALA 26 HB1 ALA 26 -5.691 -2.747 -10.039 235 HB2 ALA 26 HB2 ALA 26 -4.434 -1.861 -10.928 236 HB3 ALA 26 HB3 ALA 26 -4.004 -2.854 -9.525 237 H THR 27 H THR 27 -3.709 -2.861 -13.379 238 HA THR 27 HA THR 27 -0.987 -3.922 -13.291 239 HB THR 27 HB THR 27 -2.132 -4.255 -15.410 240 HG1 THR 27 HG1 THR 27 -0.615 -2.351 -16.498 241 HG21 THR 27 HG21 THR 27 -2.876 -2.349 -16.777 242 HG22 THR 27 HG22 THR 27 -2.489 -1.261 -15.443 243 HG23 THR 27 HG23 THR 27 -3.765 -2.464 -15.258 244 H SER 28 H SER 28 0.731 -2.295 -14.053 245 HA SER 28 HA SER 28 1.066 -0.281 -12.224 246 HB2 SER 28 HB2 SER 28 2.703 0.695 -13.879 247 HB3 SER 28 HB3 SER 28 2.925 -1.023 -13.549 248 HG SER 28 HG SER 28 2.562 -1.416 -15.572 249 H ASP 29 H ASP 29 -0.540 -0.169 -15.311 250 HA ASP 29 HA ASP 29 -0.954 2.544 -15.644 251 HB2 ASP 29 HB2 ASP 29 -2.942 0.370 -16.319 252 HB3 ASP 29 HB3 ASP 29 -2.851 1.968 -17.042 253 H ASP 30 H ASP 30 -3.096 0.211 -13.900 254 HA ASP 30 HA ASP 30 -5.049 2.277 -13.497 255 HB2 ASP 30 HB2 ASP 30 -5.407 -0.296 -13.718 256 HB3 ASP 30 HB3 ASP 30 -5.045 -0.315 -11.990 257 H ILE 31 H ILE 31 -2.497 0.799 -11.666 258 HA ILE 31 HA ILE 31 -3.071 1.828 -9.127 259 HB ILE 31 HB ILE 31 -0.433 1.135 -10.417 260 HG12 ILE 31 HG12 ILE 31 -1.838 -0.526 -8.366 261 HG13 ILE 31 HG13 ILE 31 -2.428 -0.554 -10.025 262 HG21 ILE 31 HG21 ILE 31 -0.098 2.616 -8.501 263 HG22 ILE 31 HG22 ILE 31 0.478 0.985 -8.164 264 HG23 ILE 31 HG23 ILE 31 -1.059 1.533 -7.495 265 HD11 ILE 31 HD11 ILE 31 0.377 -1.203 -9.165 266 HD12 ILE 31 HD12 ILE 31 -0.267 -1.288 -10.807 267 HD13 ILE 31 HD13 ILE 31 -0.881 -2.375 -9.560 268 H LYS 32 H LYS 32 -1.227 3.159 -11.828 269 HA LYS 32 HA LYS 32 -0.441 5.497 -10.384 270 HB2 LYS 32 HB2 LYS 32 -0.337 4.843 -13.328 271 HB3 LYS 32 HB3 LYS 32 0.367 6.281 -12.599 272 HG2 LYS 32 HG2 LYS 32 1.905 4.978 -11.331 273 HG3 LYS 32 HG3 LYS 32 1.103 3.479 -11.801 274 HD2 LYS 32 HD2 LYS 32 1.727 3.933 -14.151 275 HD3 LYS 32 HD3 LYS 32 2.611 5.362 -13.611 276 HE2 LYS 32 HE2 LYS 32 4.065 3.978 -12.250 277 HE3 LYS 32 HE3 LYS 32 3.149 2.541 -12.695 278 HZ1 LYS 32 HZ1 LYS 32 3.818 2.883 -14.994 279 HZ2 LYS 32 HZ2 LYS 32 5.164 2.713 -13.986 280 HZ3 LYS 32 HZ3 LYS 32 4.719 4.244 -14.549 281 H LYS 33 H LYS 33 -2.965 4.774 -12.784 282 HA LYS 33 HA LYS 33 -3.992 7.370 -13.020 283 HB2 LYS 33 HB2 LYS 33 -5.519 4.759 -13.109 284 HB3 LYS 33 HB3 LYS 33 -6.090 6.303 -13.726 285 HG2 LYS 33 HG2 LYS 33 -4.086 6.274 -15.259 286 HG3 LYS 33 HG3 LYS 33 -3.847 4.604 -14.765 287 HD2 LYS 33 HD2 LYS 33 -6.396 5.650 -15.996 288 HD3 LYS 33 HD3 LYS 33 -5.105 4.876 -16.907 289 HE2 LYS 33 HE2 LYS 33 -6.624 3.153 -16.537 290 HE3 LYS 33 HE3 LYS 33 -5.411 2.906 -15.287 291 HZ1 LYS 33 HZ1 LYS 33 -8.106 4.106 -14.968 292 HZ2 LYS 33 HZ2 LYS 33 -6.931 4.142 -13.759 293 HZ3 LYS 33 HZ3 LYS 33 -7.538 2.656 -14.294 294 H SER 34 H SER 34 -5.084 4.721 -10.899 295 HA SER 34 HA SER 34 -6.950 6.058 -9.398 296 HB2 SER 34 HB2 SER 34 -6.429 3.604 -9.316 297 HB3 SER 34 HB3 SER 34 -5.046 3.995 -8.295 298 HG SER 34 HG SER 34 -7.246 3.455 -7.319 299 H TYR 35 H TYR 35 -3.439 6.017 -8.951 300 HA TYR 35 HA TYR 35 -3.256 7.335 -6.539 301 HB2 TYR 35 HB2 TYR 35 -1.207 6.625 -7.488 302 HB3 TYR 35 HB3 TYR 35 -1.501 7.500 -8.993 303 HD1 TYR 35 HD1 TYR 35 -1.012 8.121 -5.334 304 HD2 TYR 35 HD2 TYR 35 -0.492 9.584 -9.292 305 HE1 TYR 35 HE1 TYR 35 0.287 10.013 -4.462 306 HE2 TYR 35 HE2 TYR 35 0.810 11.464 -8.435 307 HH TYR 35 HH TYR 35 1.014 12.738 -6.293 308 H ARG 36 H ARG 36 -3.597 8.741 -9.768 309 HA ARG 36 HA ARG 36 -3.410 11.428 -8.988 310 HB2 ARG 36 HB2 ARG 36 -4.978 10.313 -11.324 311 HB3 ARG 36 HB3 ARG 36 -4.353 11.948 -11.164 312 HG2 ARG 36 HG2 ARG 36 -2.661 9.462 -11.326 313 HG3 ARG 36 HG3 ARG 36 -3.008 10.544 -12.674 314 HD2 ARG 36 HD2 ARG 36 -1.898 12.370 -11.526 315 HD3 ARG 36 HD3 ARG 36 -1.633 11.352 -10.113 316 HE ARG 36 HE ARG 36 -0.485 10.095 -12.330 317 HH11 ARG 36 HH11 ARG 36 -0.003 12.954 -10.369 318 HH12 ARG 36 HH12 ARG 36 1.705 13.011 -10.644 319 HH21 ARG 36 HH21 ARG 36 1.774 10.159 -12.684 320 HH22 ARG 36 HH22 ARG 36 2.718 11.417 -11.952 321 H LYS 37 H LYS 37 -6.307 9.521 -9.749 322 HA LYS 37 HA LYS 37 -8.276 11.343 -9.279 323 HB2 LYS 37 HB2 LYS 37 -8.917 8.689 -8.190 324 HB3 LYS 37 HB3 LYS 37 -9.692 9.594 -9.482 325 HG2 LYS 37 HG2 LYS 37 -7.970 8.911 -11.017 326 HG3 LYS 37 HG3 LYS 37 -7.119 8.097 -9.715 327 HD2 LYS 37 HD2 LYS 37 -9.762 7.355 -10.901 328 HD3 LYS 37 HD3 LYS 37 -8.232 6.475 -10.973 329 HE2 LYS 37 HE2 LYS 37 -9.263 5.294 -9.316 330 HE3 LYS 37 HE3 LYS 37 -8.476 6.535 -8.347 331 HZ1 LYS 37 HZ1 LYS 37 -10.559 7.777 -8.326 332 HZ2 LYS 37 HZ2 LYS 37 -10.763 6.230 -7.677 333 HZ3 LYS 37 HZ3 LYS 37 -11.305 6.566 -9.241 334 H LEU 38 H LEU 38 -6.557 9.450 -6.858 335 HA LEU 38 HA LEU 38 -8.261 10.485 -4.729 336 HB2 LEU 38 HB2 LEU 38 -5.997 8.500 -4.790 337 HB3 LEU 38 HB3 LEU 38 -6.831 8.984 -3.325 338 HG LEU 38 HG LEU 38 -8.277 7.784 -5.678 339 HD11 LEU 38 HD11 LEU 38 -8.213 5.653 -4.458 340 HD12 LEU 38 HD12 LEU 38 -7.103 6.372 -3.291 341 HD13 LEU 38 HD13 LEU 38 -6.614 6.186 -4.974 342 HD21 LEU 38 HD21 LEU 38 -8.984 8.081 -2.761 343 HD22 LEU 38 HD22 LEU 38 -9.964 7.254 -3.971 344 HD23 LEU 38 HD23 LEU 38 -9.677 8.988 -4.107 345 H ALA 39 H ALA 39 -5.026 10.834 -5.990 346 HA ALA 39 HA ALA 39 -3.676 12.006 -3.884 347 HB1 ALA 39 HB1 ALA 39 -3.320 12.678 -6.793 348 HB2 ALA 39 HB2 ALA 39 -2.637 11.269 -5.984 349 HB3 ALA 39 HB3 ALA 39 -2.132 12.890 -5.506 350 H LEU 40 H LEU 40 -5.441 13.760 -6.471 351 HA LEU 40 HA LEU 40 -4.957 16.244 -5.129 352 HB2 LEU 40 HB2 LEU 40 -6.884 17.062 -6.734 353 HB3 LEU 40 HB3 LEU 40 -5.241 16.852 -7.277 354 HG LEU 40 HG LEU 40 -7.108 16.087 -8.809 355 HD11 LEU 40 HD11 LEU 40 -4.868 15.511 -9.310 356 HD12 LEU 40 HD12 LEU 40 -5.852 14.059 -9.530 357 HD13 LEU 40 HD13 LEU 40 -4.858 14.243 -8.085 358 HD21 LEU 40 HD21 LEU 40 -8.443 14.915 -7.102 359 HD22 LEU 40 HD22 LEU 40 -7.179 13.689 -7.009 360 HD23 LEU 40 HD23 LEU 40 -8.068 13.927 -8.511 361 H LYS 41 H LYS 41 -7.627 14.032 -5.337 362 HA LYS 41 HA LYS 41 -9.586 15.302 -3.895 363 HB2 LYS 41 HB2 LYS 41 -9.915 13.146 -4.907 364 HB3 LYS 41 HB3 LYS 41 -8.694 12.422 -3.876 365 HG2 LYS 41 HG2 LYS 41 -10.169 12.915 -1.924 366 HG3 LYS 41 HG3 LYS 41 -11.418 13.399 -3.076 367 HD2 LYS 41 HD2 LYS 41 -11.283 11.188 -4.129 368 HD3 LYS 41 HD3 LYS 41 -10.065 10.709 -2.948 369 HE2 LYS 41 HE2 LYS 41 -12.216 9.846 -2.316 370 HE3 LYS 41 HE3 LYS 41 -11.696 11.062 -1.153 371 HZ1 LYS 41 HZ1 LYS 41 -14.060 11.244 -1.814 372 HZ2 LYS 41 HZ2 LYS 41 -13.571 11.610 -3.389 373 HZ3 LYS 41 HZ3 LYS 41 -13.171 12.649 -2.115 374 H TYR 42 H TYR 42 -6.810 13.488 -2.642 375 HA TYR 42 HA TYR 42 -7.360 14.567 0.041 376 HB2 TYR 42 HB2 TYR 42 -5.801 12.181 -0.923 377 HB3 TYR 42 HB3 TYR 42 -5.544 12.849 0.687 378 HD1 TYR 42 HD2 TYR 42 -7.550 12.952 2.275 379 HD2 TYR 42 HD1 TYR 42 -7.579 10.734 -1.355 380 HE1 TYR 42 HE2 TYR 42 -9.472 11.648 3.085 381 HE2 TYR 42 HE1 TYR 42 -9.500 9.431 -0.551 382 HH TYR 42 HH TYR 42 -10.591 8.817 1.460 383 H HIS 43 H HIS 43 -6.186 16.184 -2.116 384 HA HIS 43 HA HIS 43 -3.381 16.320 -1.684 385 HB2 HIS 43 HB2 HIS 43 -5.013 17.310 -3.601 386 HB3 HIS 43 HB3 HIS 43 -4.785 18.749 -2.618 387 HD1 HIS 43 HD1 HIS 43 -2.890 20.135 -3.380 388 HD2 HIS 43 HD2 HIS 43 -2.265 16.097 -4.164 389 HE1 HIS 43 HE1 HIS 43 -0.674 20.006 -4.557 390 HE2 HIS 43 HE2 HIS 43 -0.237 17.547 -4.851 391 HA PRO 44 HA PRO 44 -2.815 17.794 2.285 392 HB2 PRO 44 HB2 PRO 44 -1.464 20.234 1.530 393 HB3 PRO 44 HB3 PRO 44 -0.790 18.755 2.207 394 HG2 PRO 44 HG2 PRO 44 -0.942 19.626 -0.592 395 HG3 PRO 44 HG3 PRO 44 0.140 18.443 0.163 396 HD2 PRO 44 HD2 PRO 44 -1.835 17.706 -1.488 397 HD3 PRO 44 HD3 PRO 44 -1.386 16.710 -0.090 398 H ASP 45 H ASP 45 -3.671 20.563 0.161 399 HA ASP 45 HA ASP 45 -4.596 22.008 2.469 400 HB2 ASP 45 HB2 ASP 45 -3.369 23.111 0.599 401 HB3 ASP 45 HB3 ASP 45 -4.754 22.809 -0.442 402 H LYS 46 H LYS 46 -6.041 19.848 0.305 403 HA LYS 46 HA LYS 46 -8.683 20.925 0.261 404 HB2 LYS 46 HB2 LYS 46 -7.902 18.020 0.083 405 HB3 LYS 46 HB3 LYS 46 -9.345 18.772 -0.545 406 HG2 LYS 46 HG2 LYS 46 -7.075 20.042 -1.676 407 HG3 LYS 46 HG3 LYS 46 -6.917 18.301 -1.851 408 HD2 LYS 46 HD2 LYS 46 -9.178 20.053 -2.808 409 HD3 LYS 46 HD3 LYS 46 -7.993 19.183 -3.783 410 HE2 LYS 46 HE2 LYS 46 -9.672 17.716 -3.972 411 HE3 LYS 46 HE3 LYS 46 -9.001 17.116 -2.465 412 HZ1 LYS 46 HZ1 LYS 46 -10.683 18.378 -1.263 413 HZ2 LYS 46 HZ2 LYS 46 -11.410 17.326 -2.363 414 HZ3 LYS 46 HZ3 LYS 46 -11.307 18.976 -2.712 415 H ASN 47 H ASN 47 -6.817 19.473 2.649 416 HA ASN 47 HA ASN 47 -9.119 18.239 3.992 417 HB2 ASN 47 HB2 ASN 47 -6.201 17.602 4.373 418 HB3 ASN 47 HB3 ASN 47 -7.585 16.659 4.911 419 HD21 ASN 47 HD21 ASN 47 -5.826 17.759 2.082 420 HD22 ASN 47 HD22 ASN 47 -6.329 16.461 1.057 421 HA PRO 48 HA PRO 48 -8.507 21.007 7.427 422 HB2 PRO 48 HB2 PRO 48 -9.435 18.793 9.125 423 HB3 PRO 48 HB3 PRO 48 -10.132 20.397 8.893 424 HG2 PRO 48 HG2 PRO 48 -11.313 18.229 7.876 425 HG3 PRO 48 HG3 PRO 48 -11.276 19.755 6.969 426 HD2 PRO 48 HD2 PRO 48 -9.536 17.326 6.653 427 HD3 PRO 48 HD3 PRO 48 -10.338 18.305 5.406 428 H ASP 49 H ASP 49 -8.096 20.188 9.993 429 HA ASP 49 HA ASP 49 -5.287 20.198 10.054 430 HB2 ASP 49 HB2 ASP 49 -6.682 21.334 11.661 431 HB3 ASP 49 HB3 ASP 49 -7.356 19.809 12.206 432 H ASN 50 H ASN 50 -7.665 17.675 10.598 433 HA ASN 50 HA ASN 50 -6.164 15.838 12.010 434 HB2 ASN 50 HB2 ASN 50 -7.727 14.139 11.219 435 HB3 ASN 50 HB3 ASN 50 -8.576 15.612 11.655 436 HD21 ASN 50 HD21 ASN 50 -9.339 13.397 9.903 437 HD22 ASN 50 HD22 ASN 50 -9.701 14.116 8.373 438 HA PRO 51 HA PRO 51 -3.113 14.529 9.050 439 HB2 PRO 51 HB2 PRO 51 -1.979 12.600 10.557 440 HB3 PRO 51 HB3 PRO 51 -1.734 14.319 10.887 441 HG2 PRO 51 HG2 PRO 51 -3.578 12.378 12.220 442 HG3 PRO 51 HG3 PRO 51 -2.562 13.636 12.946 443 HD2 PRO 51 HD2 PRO 51 -5.240 13.929 12.500 444 HD3 PRO 51 HD3 PRO 51 -4.099 15.287 12.526 445 H GLU 52 H GLU 52 -5.896 13.025 9.770 446 HA GLU 52 HA GLU 52 -5.550 10.325 9.032 447 HB2 GLU 52 HB2 GLU 52 -7.558 11.183 10.169 448 HB3 GLU 52 HB3 GLU 52 -7.940 12.164 8.756 449 HG2 GLU 52 HG2 GLU 52 -8.164 10.058 7.445 450 HG3 GLU 52 HG3 GLU 52 -7.966 9.162 8.951 451 H ALA 53 H ALA 53 -6.466 13.210 7.266 452 HA ALA 53 HA ALA 53 -6.754 11.893 4.757 453 HB1 ALA 53 HB1 ALA 53 -8.009 13.894 5.445 454 HB2 ALA 53 HB2 ALA 53 -7.174 14.106 3.902 455 HB3 ALA 53 HB3 ALA 53 -6.516 14.828 5.373 456 H ALA 54 H ALA 54 -4.183 13.497 6.445 457 HA ALA 54 HA ALA 54 -2.410 13.787 4.244 458 HB1 ALA 54 HB1 ALA 54 -0.682 14.068 5.947 459 HB2 ALA 54 HB2 ALA 54 -1.807 13.511 7.188 460 HB3 ALA 54 HB3 ALA 54 -2.114 15.022 6.333 461 H ASP 55 H ASP 55 -2.858 11.337 6.744 462 HA ASP 55 HA ASP 55 -0.972 9.452 5.937 463 HB2 ASP 55 HB2 ASP 55 -3.125 9.595 7.758 464 HB3 ASP 55 HB3 ASP 55 -3.411 8.169 6.774 465 H LYS 56 H LYS 56 -4.282 9.992 4.955 466 HA LYS 56 HA LYS 56 -4.660 7.937 3.142 467 HB2 LYS 56 HB2 LYS 56 -5.729 10.626 3.594 468 HB3 LYS 56 HB3 LYS 56 -5.996 9.981 1.979 469 HG2 LYS 56 HG2 LYS 56 -6.928 8.881 4.610 470 HG3 LYS 56 HG3 LYS 56 -7.885 9.497 3.269 471 HD2 LYS 56 HD2 LYS 56 -6.284 6.942 3.332 472 HD3 LYS 56 HD3 LYS 56 -8.037 7.107 3.285 473 HE2 LYS 56 HE2 LYS 56 -7.896 8.087 1.060 474 HE3 LYS 56 HE3 LYS 56 -6.136 7.957 1.109 475 HZ1 LYS 56 HZ1 LYS 56 -8.089 5.722 1.119 476 HZ2 LYS 56 HZ2 LYS 56 -6.430 5.522 1.391 477 HZ3 LYS 56 HZ3 LYS 56 -6.983 6.104 -0.104 478 H PHE 57 H PHE 57 -3.731 11.280 2.333 479 HA PHE 57 HA PHE 57 -3.002 10.872 -0.284 480 HB2 PHE 57 HB2 PHE 57 -3.062 13.096 0.791 481 HB3 PHE 57 HB3 PHE 57 -1.572 12.698 1.647 482 HD1 PHE 57 HD1 PHE 57 -1.898 11.502 -1.746 483 HD2 PHE 57 HD2 PHE 57 -0.596 14.775 0.643 484 HE1 PHE 57 HE1 PHE 57 -0.583 12.365 -3.638 485 HE2 PHE 57 HE2 PHE 57 0.720 15.632 -1.229 486 HZ PHE 57 HZ PHE 57 0.715 14.459 -3.380 487 H LYS 58 H LYS 58 -1.045 10.406 2.573 488 HA LYS 58 HA LYS 58 1.381 9.752 1.406 489 HB2 LYS 58 HB2 LYS 58 0.908 10.189 3.798 490 HB3 LYS 58 HB3 LYS 58 0.187 8.593 3.916 491 HG2 LYS 58 HG2 LYS 58 2.326 7.586 3.345 492 HG3 LYS 58 HG3 LYS 58 3.054 9.189 3.226 493 HD2 LYS 58 HD2 LYS 58 1.925 7.822 5.660 494 HD3 LYS 58 HD3 LYS 58 3.583 8.360 5.391 495 HE2 LYS 58 HE2 LYS 58 1.188 10.186 5.562 496 HE3 LYS 58 HE3 LYS 58 2.279 9.838 6.907 497 HZ1 LYS 58 HZ1 LYS 58 4.105 10.763 5.611 498 HZ2 LYS 58 HZ2 LYS 58 2.876 11.902 5.821 499 HZ3 LYS 58 HZ3 LYS 58 3.049 11.112 4.339 500 H GLU 59 H GLU 59 -1.307 7.580 2.311 501 HA GLU 59 HA GLU 59 0.056 5.235 1.426 502 HB2 GLU 59 HB2 GLU 59 -2.148 4.139 1.710 503 HB3 GLU 59 HB3 GLU 59 -1.565 4.974 3.130 504 HG2 GLU 59 HG2 GLU 59 -3.016 6.868 2.551 505 HG3 GLU 59 HG3 GLU 59 -3.654 5.927 1.209 506 H ILE 60 H ILE 60 -2.275 7.413 -0.113 507 HA ILE 60 HA ILE 60 -2.730 5.939 -2.472 508 HB ILE 60 HB ILE 60 -2.286 8.921 -2.492 509 HG12 ILE 60 HG12 ILE 60 -4.949 7.631 -1.941 510 HG13 ILE 60 HG13 ILE 60 -3.887 8.168 -0.643 511 HG21 ILE 60 HG21 ILE 60 -3.820 8.930 -4.329 512 HG22 ILE 60 HG22 ILE 60 -4.169 7.218 -4.096 513 HG23 ILE 60 HG23 ILE 60 -2.572 7.725 -4.631 514 HD11 ILE 60 HD11 ILE 60 -5.211 9.832 -2.766 515 HD12 ILE 60 HD12 ILE 60 -3.902 10.438 -1.762 516 HD13 ILE 60 HD13 ILE 60 -5.417 9.925 -1.014 517 H ASN 61 H ASN 61 -0.334 8.415 -1.733 518 HA ASN 61 HA ASN 61 1.111 8.205 -4.138 519 HB2 ASN 61 HB2 ASN 61 1.044 10.125 -2.467 520 HB3 ASN 61 HB3 ASN 61 2.155 9.176 -1.474 521 HD21 ASN 61 HD21 ASN 61 3.717 10.745 -1.654 522 HD22 ASN 61 HD22 ASN 61 4.649 10.962 -3.092 523 H ASN 62 H ASN 62 1.249 6.548 -1.098 524 HA ASN 62 HA ASN 62 3.743 5.254 -1.399 525 HB2 ASN 62 HB2 ASN 62 1.768 5.382 0.543 526 HB3 ASN 62 HB3 ASN 62 1.716 3.703 0.014 527 HD21 ASN 62 HD21 ASN 62 3.391 2.369 0.463 528 HD22 ASN 62 HD22 ASN 62 4.716 2.807 1.487 529 H ALA 63 H ALA 63 0.441 4.018 -1.832 530 HA ALA 63 HA ALA 63 1.101 1.565 -2.978 531 HB1 ALA 63 HB1 ALA 63 -1.372 3.253 -3.347 532 HB2 ALA 63 HB2 ALA 63 -1.104 2.026 -2.105 533 HB3 ALA 63 HB3 ALA 63 -1.228 1.555 -3.799 534 H HIS 64 H HIS 64 0.655 4.723 -4.413 535 HA HIS 64 HA HIS 64 0.686 4.258 -7.106 536 HB2 HIS 64 HB2 HIS 64 0.511 6.482 -6.546 537 HB3 HIS 64 HB3 HIS 64 1.781 6.396 -5.339 538 HD1 HIS 64 HD1 HIS 64 1.185 7.178 -8.933 539 HD2 HIS 64 HD2 HIS 64 4.413 6.760 -6.342 540 HE1 HIS 64 HE1 HIS 64 3.144 8.208 -10.117 541 HE2 HIS 64 HE2 HIS 64 5.072 8.004 -8.511 542 H ALA 65 H ALA 65 3.420 4.057 -4.884 543 HA ALA 65 HA ALA 65 5.216 3.376 -7.080 544 HB1 ALA 65 HB1 ALA 65 6.976 3.403 -5.393 545 HB2 ALA 65 HB2 ALA 65 5.772 3.640 -4.126 546 HB3 ALA 65 HB3 ALA 65 6.035 4.892 -5.340 547 H ILE 66 H ILE 66 4.136 2.013 -4.010 548 HA ILE 66 HA ILE 66 5.463 -0.323 -3.886 549 HB ILE 66 HB ILE 66 2.543 -0.149 -3.174 550 HG12 ILE 66 HG12 ILE 66 3.459 1.764 -2.146 551 HG13 ILE 66 HG13 ILE 66 3.459 0.535 -0.888 552 HG21 ILE 66 HG21 ILE 66 3.143 -1.739 -1.409 553 HG22 ILE 66 HG22 ILE 66 4.799 -1.776 -2.013 554 HG23 ILE 66 HG23 ILE 66 3.482 -2.379 -3.017 555 HD11 ILE 66 HD11 ILE 66 5.818 1.416 -2.527 556 HD12 ILE 66 HD12 ILE 66 5.837 0.137 -1.310 557 HD13 ILE 66 HD13 ILE 66 5.501 1.802 -0.833 558 H LEU 67 H LEU 67 2.234 -0.095 -5.469 559 HA LEU 67 HA LEU 67 2.212 -2.905 -5.909 560 HB2 LEU 67 HB2 LEU 67 0.466 -0.729 -7.024 561 HB3 LEU 67 HB3 LEU 67 0.217 -2.426 -7.361 562 HG LEU 67 HG LEU 67 -1.093 -2.538 -5.582 563 HD11 LEU 67 HD11 LEU 67 1.318 -1.734 -3.971 564 HD12 LEU 67 HD12 LEU 67 0.847 -3.377 -4.408 565 HD13 LEU 67 HD13 LEU 67 -0.167 -2.428 -3.321 566 HD21 LEU 67 HD21 LEU 67 -1.504 -0.169 -5.893 567 HD22 LEU 67 HD22 LEU 67 -0.140 0.214 -4.842 568 HD23 LEU 67 HD23 LEU 67 -1.557 -0.607 -4.185 569 H THR 68 H THR 68 3.157 -0.187 -7.920 570 HA THR 68 HA THR 68 3.440 -1.938 -10.227 571 HB THR 68 HB THR 68 2.550 0.222 -10.750 572 HG1 THR 68 HG1 THR 68 4.983 -0.577 -11.720 573 HG21 THR 68 HG21 THR 68 3.388 1.467 -8.842 574 HG22 THR 68 HG22 THR 68 3.779 2.291 -10.350 575 HG23 THR 68 HG23 THR 68 5.026 1.387 -9.490 576 H ASP 69 H ASP 69 5.220 -1.184 -7.558 577 HA ASP 69 HA ASP 69 7.808 -1.490 -8.887 578 HB2 ASP 69 HB2 ASP 69 7.527 0.198 -7.036 579 HB3 ASP 69 HB3 ASP 69 7.216 -1.152 -5.937 580 H ALA 70 H ALA 70 8.668 -3.428 -9.098 581 HA ALA 70 HA ALA 70 7.272 -5.750 -8.436 582 HB1 ALA 70 HB1 ALA 70 10.184 -5.464 -9.150 583 HB2 ALA 70 HB2 ALA 70 8.847 -5.671 -10.281 584 HB3 ALA 70 HB3 ALA 70 9.262 -6.966 -9.158 585 H THR 71 H THR 71 9.848 -4.065 -6.738 586 HA THR 71 HA THR 71 10.294 -6.282 -4.936 587 HB THR 71 HB THR 71 11.401 -3.475 -4.865 588 HG1 THR 71 HG1 THR 71 12.091 -5.823 -6.214 589 HG21 THR 71 HG21 THR 71 13.058 -4.438 -3.332 590 HG22 THR 71 HG22 THR 71 12.210 -5.987 -3.396 591 HG23 THR 71 HG23 THR 71 11.418 -4.578 -2.687 592 H LYS 72 H LYS 72 8.989 -2.949 -4.615 593 HA LYS 72 HA LYS 72 8.421 -3.211 -1.863 594 HB2 LYS 72 HB2 LYS 72 7.783 -1.271 -3.963 595 HB3 LYS 72 HB3 LYS 72 6.540 -1.418 -2.734 596 HG2 LYS 72 HG2 LYS 72 7.831 0.240 -1.845 597 HG3 LYS 72 HG3 LYS 72 8.531 -1.180 -1.075 598 HD2 LYS 72 HD2 LYS 72 10.302 0.238 -1.836 599 HD3 LYS 72 HD3 LYS 72 10.267 -1.204 -2.855 600 HE2 LYS 72 HE2 LYS 72 9.139 -0.006 -4.599 601 HE3 LYS 72 HE3 LYS 72 8.972 1.419 -3.574 602 HZ1 LYS 72 HZ1 LYS 72 10.792 1.639 -5.162 603 HZ2 LYS 72 HZ2 LYS 72 11.551 0.266 -4.523 604 HZ3 LYS 72 HZ3 LYS 72 11.373 1.658 -3.575 605 H ARG 73 H ARG 73 6.727 -4.194 -4.705 606 HA ARG 73 HA ARG 73 4.280 -4.828 -3.302 607 HB2 ARG 73 HB2 ARG 73 4.151 -4.279 -5.661 608 HB3 ARG 73 HB3 ARG 73 5.294 -5.556 -6.055 609 HG2 ARG 73 HG2 ARG 73 3.641 -7.200 -5.194 610 HG3 ARG 73 HG3 ARG 73 2.482 -5.873 -5.041 611 HD2 ARG 73 HD2 ARG 73 2.082 -6.962 -7.134 612 HD3 ARG 73 HD3 ARG 73 2.826 -5.399 -7.469 613 HE ARG 73 HE ARG 73 4.286 -7.965 -7.524 614 HH11 ARG 73 HH11 ARG 73 3.724 -4.730 -8.763 615 HH12 ARG 73 HH12 ARG 73 4.932 -4.871 -10.001 616 HH21 ARG 73 HH21 ARG 73 5.871 -8.142 -9.149 617 HH22 ARG 73 HH22 ARG 73 6.138 -6.814 -10.235 618 H ASN 74 H ASN 74 7.138 -6.422 -4.445 619 HA ASN 74 HA ASN 74 6.605 -9.067 -3.973 620 HB2 ASN 74 HB2 ASN 74 8.653 -8.205 -5.042 621 HB3 ASN 74 HB3 ASN 74 9.198 -7.599 -3.482 622 HD21 ASN 74 HD21 ASN 74 9.749 -9.096 -1.870 623 HD22 ASN 74 HD22 ASN 74 10.306 -10.667 -2.302 624 H ILE 75 H ILE 75 8.390 -6.997 -1.614 625 HA ILE 75 HA ILE 75 8.115 -8.986 0.410 626 HB ILE 75 HB ILE 75 9.179 -7.587 1.945 627 HG12 ILE 75 HG12 ILE 75 7.739 -5.612 1.743 628 HG13 ILE 75 HG13 ILE 75 9.441 -5.170 1.724 629 HG21 ILE 75 HG21 ILE 75 10.237 -6.794 -0.745 630 HG22 ILE 75 HG22 ILE 75 10.604 -8.286 0.124 631 HG23 ILE 75 HG23 ILE 75 11.110 -6.732 0.786 632 HD11 ILE 75 HD11 ILE 75 7.658 -5.388 -0.685 633 HD12 ILE 75 HD12 ILE 75 9.355 -4.886 -0.680 634 HD13 ILE 75 HD13 ILE 75 8.137 -3.890 0.122 635 H TYR 76 H TYR 76 6.146 -6.354 -0.602 636 HA TYR 76 HA TYR 76 4.588 -5.919 1.658 637 HB2 TYR 76 HB2 TYR 76 4.153 -4.437 -0.058 638 HB3 TYR 76 HB3 TYR 76 4.167 -5.692 -1.288 639 HD1 TYR 76 HD1 TYR 76 2.196 -7.021 -1.729 640 HD2 TYR 76 HD2 TYR 76 2.136 -3.902 1.158 641 HE1 TYR 76 HE1 TYR 76 -0.252 -7.058 -1.760 642 HE2 TYR 76 HE2 TYR 76 -0.322 -3.926 1.141 643 HH TYR 76 HH TYR 76 -2.119 -6.409 -0.366 644 H ASP 77 H ASP 77 4.366 -8.354 -0.861 645 HA ASP 77 HA ASP 77 2.059 -9.603 0.384 646 HB2 ASP 77 HB2 ASP 77 2.148 -9.464 -2.046 647 HB3 ASP 77 HB3 ASP 77 3.674 -10.350 -2.068 648 H LYS 78 H LYS 78 5.450 -9.808 0.562 649 HA LYS 78 HA LYS 78 5.540 -12.554 1.471 650 HB2 LYS 78 HB2 LYS 78 7.694 -10.468 1.758 651 HB3 LYS 78 HB3 LYS 78 7.883 -12.205 1.906 652 HG2 LYS 78 HG2 LYS 78 7.174 -10.723 -0.601 653 HG3 LYS 78 HG3 LYS 78 8.767 -11.358 -0.201 654 HD2 LYS 78 HD2 LYS 78 8.063 -13.098 -1.446 655 HD3 LYS 78 HD3 LYS 78 7.268 -13.584 0.054 656 HE2 LYS 78 HE2 LYS 78 5.220 -12.463 -0.670 657 HE3 LYS 78 HE3 LYS 78 6.022 -11.961 -2.158 658 HZ1 LYS 78 HZ1 LYS 78 4.622 -13.922 -2.465 659 HZ2 LYS 78 HZ2 LYS 78 5.553 -14.777 -1.344 660 HZ3 LYS 78 HZ3 LYS 78 6.244 -14.258 -2.799 661 H TYR 79 H TYR 79 6.300 -9.427 2.952 662 HA TYR 79 HA TYR 79 5.467 -10.487 5.570 663 HB2 TYR 79 HB2 TYR 79 7.783 -8.600 5.078 664 HB3 TYR 79 HB3 TYR 79 7.263 -9.234 6.633 665 HD1 TYR 79 HD1 TYR 79 9.002 -10.012 3.496 666 HD2 TYR 79 HD2 TYR 79 7.824 -11.484 7.308 667 HE1 TYR 79 HE1 TYR 79 10.541 -11.912 3.233 668 HE2 TYR 79 HE2 TYR 79 9.362 -13.380 7.060 669 HH TYR 79 HH TYR 79 11.717 -13.530 4.560 670 H GLY 80 H GLY 80 6.375 -7.461 3.896 671 HA2 GLY 80 HA2 GLY 80 5.047 -5.623 3.459 672 HA3 GLY 80 HA3 GLY 80 3.707 -6.423 4.269 673 H SER 81 H SER 81 4.963 -6.758 6.819 674 HA SER 81 HA SER 81 4.346 -4.201 7.864 675 HB2 SER 81 HB2 SER 81 3.956 -6.369 9.062 676 HB3 SER 81 HB3 SER 81 5.694 -6.476 9.329 677 HG SER 81 HG SER 81 4.381 -5.504 11.063 678 H LEU 82 H LEU 82 7.409 -6.014 8.259 679 HA LEU 82 HA LEU 82 8.805 -3.537 8.768 680 HB2 LEU 82 HB2 LEU 82 9.565 -5.277 10.117 681 HB3 LEU 82 HB3 LEU 82 9.578 -6.427 8.799 682 HG LEU 82 HG LEU 82 11.527 -5.204 7.824 683 HD11 LEU 82 HD11 LEU 82 11.195 -3.033 8.851 684 HD12 LEU 82 HD12 LEU 82 12.787 -3.675 9.254 685 HD13 LEU 82 HD13 LEU 82 11.489 -3.726 10.448 686 HD21 LEU 82 HD21 LEU 82 11.833 -7.226 9.127 687 HD22 LEU 82 HD22 LEU 82 11.880 -6.278 10.614 688 HD23 LEU 82 HD23 LEU 82 13.156 -6.093 9.410 689 H GLY 83 H GLY 83 9.288 -6.195 6.443 690 HA2 GLY 83 HA2 GLY 83 11.347 -5.184 4.984 691 HA3 GLY 83 HA3 GLY 83 10.112 -6.220 4.302 692 H LEU 84 H LEU 84 8.001 -4.199 4.664 693 HA LEU 84 HA LEU 84 8.413 -2.801 2.197 694 HB2 LEU 84 HB2 LEU 84 6.203 -3.628 2.847 695 HB3 LEU 84 HB3 LEU 84 6.204 -2.565 4.240 696 HG LEU 84 HG LEU 84 6.221 -0.611 2.712 697 HD11 LEU 84 HD11 LEU 84 5.888 -2.707 0.571 698 HD12 LEU 84 HD12 LEU 84 7.274 -1.637 0.783 699 HD13 LEU 84 HD13 LEU 84 5.703 -0.969 0.344 700 HD21 LEU 84 HD21 LEU 84 3.973 -2.577 2.286 701 HD22 LEU 84 HD22 LEU 84 3.893 -0.841 1.985 702 HD23 LEU 84 HD23 LEU 84 4.124 -1.440 3.627 703 H TYR 85 H TYR 85 7.829 -1.700 5.530 704 HA TYR 85 HA TYR 85 8.160 1.022 5.055 705 HB2 TYR 85 HB2 TYR 85 7.447 1.072 7.171 706 HB3 TYR 85 HB3 TYR 85 7.667 -0.667 7.280 707 HD1 TYR 85 HD2 TYR 85 9.758 -1.592 8.249 708 HD2 TYR 85 HD1 TYR 85 8.970 2.592 8.225 709 HE1 TYR 85 HE2 TYR 85 11.492 -1.256 9.961 710 HE2 TYR 85 HE1 TYR 85 10.706 2.932 9.931 711 HH TYR 85 HH TYR 85 11.868 1.686 11.657 712 H VAL 86 H VAL 86 10.548 -1.431 5.952 713 HA VAL 86 HA VAL 86 12.655 0.427 6.361 714 HB VAL 86 HB VAL 86 12.782 -1.701 7.453 715 HG11 VAL 86 HG11 VAL 86 12.899 -2.980 4.737 716 HG12 VAL 86 HG12 VAL 86 11.505 -2.992 5.823 717 HG13 VAL 86 HG13 VAL 86 13.000 -3.795 6.298 718 HG21 VAL 86 HG21 VAL 86 14.996 -2.568 6.601 719 HG22 VAL 86 HG22 VAL 86 14.937 -0.859 7.041 720 HG23 VAL 86 HG23 VAL 86 14.884 -1.336 5.343 721 H ALA 87 H ALA 87 11.375 -1.228 3.569 722 HA ALA 87 HA ALA 87 13.685 -0.761 1.930 723 HB1 ALA 87 HB1 ALA 87 12.150 -2.621 1.505 724 HB2 ALA 87 HB2 ALA 87 12.336 -1.568 0.106 725 HB3 ALA 87 HB3 ALA 87 10.882 -1.465 1.096 726 H GLU 88 H GLU 88 10.975 1.072 2.909 727 HA GLU 88 HA GLU 88 11.084 2.907 0.665 728 HB2 GLU 88 HB2 GLU 88 9.559 3.143 3.259 729 HB3 GLU 88 HB3 GLU 88 9.299 4.088 1.800 730 HG2 GLU 88 HG2 GLU 88 8.528 2.136 0.620 731 HG3 GLU 88 HG3 GLU 88 8.895 1.116 2.014 732 H GLN 89 H GLN 89 11.669 3.017 4.155 733 HA GLN 89 HA GLN 89 12.684 5.714 3.970 734 HB2 GLN 89 HB2 GLN 89 12.419 3.853 6.337 735 HB3 GLN 89 HB3 GLN 89 12.848 5.558 6.426 736 HG2 GLN 89 HG2 GLN 89 10.701 6.200 5.568 737 HG3 GLN 89 HG3 GLN 89 10.271 4.519 5.272 738 HE21 GLN 89 HE21 GLN 89 8.455 4.620 6.535 739 HE22 GLN 89 HE22 GLN 89 8.518 4.709 8.261 740 H PHE 90 H PHE 90 13.987 2.522 4.008 741 HA PHE 90 HA PHE 90 16.668 3.666 4.399 742 HB2 PHE 90 HB2 PHE 90 15.736 0.832 4.902 743 HB3 PHE 90 HB3 PHE 90 17.413 1.373 5.017 744 HD1 PHE 90 HD1 PHE 90 14.035 1.846 6.450 745 HD2 PHE 90 HD2 PHE 90 18.221 2.371 6.980 746 HE1 PHE 90 HE1 PHE 90 13.655 2.475 8.797 747 HE2 PHE 90 HE2 PHE 90 17.851 3.005 9.327 748 HZ PHE 90 HZ PHE 90 15.579 3.077 10.235 749 H GLY 91 H GLY 91 14.707 1.525 2.365 750 HA2 GLY 91 HA2 GLY 91 15.126 1.738 -0.045 751 HA3 GLY 91 HA3 GLY 91 16.844 1.763 0.331 752 H GLU 92 H GLU 92 14.913 -0.077 -1.230 753 HA GLU 92 HA GLU 92 14.594 -2.500 0.166 754 HB2 GLU 92 HB2 GLU 92 14.923 -2.522 -2.803 755 HB3 GLU 92 HB3 GLU 92 13.722 -3.331 -1.802 756 HG2 GLU 92 HG2 GLU 92 12.303 -1.744 -2.424 757 HG3 GLU 92 HG3 GLU 92 13.236 -0.659 -1.393 758 H GLU 93 H GLU 93 17.144 -1.280 -1.858 759 HA GLU 93 HA GLU 93 18.733 -3.606 -1.979 760 HB2 GLU 93 HB2 GLU 93 19.395 -1.949 -3.456 761 HB3 GLU 93 HB3 GLU 93 19.282 -0.702 -2.234 762 HG2 GLU 93 HG2 GLU 93 21.264 -1.662 -1.120 763 HG3 GLU 93 HG3 GLU 93 21.407 -2.806 -2.455 764 H ASN 94 H ASN 94 18.573 -0.967 0.294 765 HA ASN 94 HA ASN 94 20.882 -1.640 1.781 766 HB2 ASN 94 HB2 ASN 94 18.511 0.119 2.350 767 HB3 ASN 94 HB3 ASN 94 19.854 -0.049 3.459 768 HD21 ASN 94 HD21 ASN 94 21.815 0.865 2.932 769 HD22 ASN 94 HD22 ASN 94 21.978 1.994 1.638 770 H VAL 95 H VAL 95 17.491 -2.303 2.165 771 HA VAL 95 HA VAL 95 17.141 -2.921 4.758 772 HB VAL 95 HB VAL 95 15.339 -4.361 4.243 773 HG11 VAL 95 HG11 VAL 95 15.589 -2.342 2.038 774 HG12 VAL 95 HG12 VAL 95 14.999 -2.034 3.666 775 HG13 VAL 95 HG13 VAL 95 14.094 -3.094 2.590 776 HG21 VAL 95 HG21 VAL 95 16.478 -5.898 2.723 777 HG22 VAL 95 HG22 VAL 95 16.452 -4.662 1.461 778 HG23 VAL 95 HG23 VAL 95 14.938 -5.346 2.057 779 H ASN 96 H ASN 96 18.853 -4.991 2.502 780 HA ASN 96 HA ASN 96 18.792 -7.400 3.926 781 HB2 ASN 96 HB2 ASN 96 19.584 -7.060 1.568 782 HB3 ASN 96 HB3 ASN 96 21.074 -6.386 2.223 783 HD21 ASN 96 HD21 ASN 96 19.150 -9.251 1.837 784 HD22 ASN 96 HD22 ASN 96 20.393 -10.380 2.243 785 H THR 97 H THR 97 20.357 -4.465 4.643 786 HA THR 97 HA THR 97 22.497 -5.455 6.222 787 HB THR 97 HB THR 97 22.435 -3.138 5.339 788 HG1 THR 97 HG1 THR 97 23.783 -3.441 7.088 789 HG21 THR 97 HG21 THR 97 21.054 -1.432 6.480 790 HG22 THR 97 HG22 THR 97 20.241 -2.717 7.377 791 HG23 THR 97 HG23 THR 97 20.071 -2.625 5.622 792 H TYR 98 H TYR 98 19.177 -4.547 6.890 793 HA TYR 98 HA TYR 98 19.459 -5.101 9.729 794 HB2 TYR 98 HB2 TYR 98 18.130 -3.164 8.911 795 HB3 TYR 98 HB3 TYR 98 17.034 -4.284 8.101 796 HD1 TYR 98 HD2 TYR 98 18.134 -2.965 11.352 797 HD2 TYR 98 HD1 TYR 98 15.388 -5.524 9.354 798 HE1 TYR 98 HE2 TYR 98 16.781 -3.102 13.398 799 HE2 TYR 98 HE1 TYR 98 14.027 -5.668 11.396 800 HH TYR 98 HH TYR 98 14.373 -5.403 13.857 801 H PHE 99 H PHE 99 18.378 -6.531 6.808 802 HA PHE 99 HA PHE 99 16.984 -8.709 8.096 803 HB2 PHE 99 HB2 PHE 99 17.533 -7.928 5.250 804 HB3 PHE 99 HB3 PHE 99 16.965 -9.548 5.618 805 HD1 PHE 99 HD1 PHE 99 14.746 -9.903 6.559 806 HD2 PHE 99 HD2 PHE 99 16.102 -6.036 5.429 807 HE1 PHE 99 HE1 PHE 99 12.422 -9.082 6.596 808 HE2 PHE 99 HE2 PHE 99 13.795 -5.204 5.464 809 HZ PHE 99 HZ PHE 99 11.940 -6.726 6.046 810 H VAL 100 H VAL 100 17.753 -10.806 6.466 811 HA VAL 100 HA VAL 100 19.837 -11.960 7.838 812 HB VAL 100 HB VAL 100 18.277 -13.379 6.785 813 HG11 VAL 100 HG11 VAL 100 17.490 -11.975 5.015 814 HG12 VAL 100 HG12 VAL 100 18.037 -13.495 4.309 815 HG13 VAL 100 HG13 VAL 100 19.045 -12.053 4.191 816 HG21 VAL 100 HG21 VAL 100 20.883 -13.611 5.281 817 HG22 VAL 100 HG22 VAL 100 19.668 -14.881 5.436 818 HG23 VAL 100 HG23 VAL 100 20.526 -14.301 6.865 Start of MODEL 10 1 H1 MET -4 H1 MET -4 -30.101 -1.806 18.492 2 H2 MET -4 H2 MET -4 -30.276 -3.392 19.047 3 H3 MET -4 H3 MET -4 -31.544 -2.290 19.231 4 HA MET -4 HA MET -4 -31.982 -3.827 17.436 5 HB2 MET -4 HB2 MET -4 -32.894 -1.559 17.283 6 HB3 MET -4 HB3 MET -4 -31.410 -0.999 16.524 7 HG2 MET -4 HG2 MET -4 -31.835 -2.516 14.632 8 HG3 MET -4 HG3 MET -4 -33.354 -2.995 15.384 9 HE1 MET -4 HE1 MET -4 -34.425 -0.257 16.578 10 HE2 MET -4 HE2 MET -4 -35.425 -1.405 15.689 11 HE3 MET -4 HE3 MET -4 -35.434 0.302 15.244 12 H ARG -3 H ARG -3 -31.198 -5.081 15.849 13 HA ARG -3 HA ARG -3 -28.457 -4.630 14.950 14 HB2 ARG -3 HB2 ARG -3 -29.067 -6.886 15.699 15 HB3 ARG -3 HB3 ARG -3 -30.350 -6.949 14.501 16 HG2 ARG -3 HG2 ARG -3 -28.745 -6.932 12.708 17 HG3 ARG -3 HG3 ARG -3 -27.421 -6.706 13.850 18 HD2 ARG -3 HD2 ARG -3 -29.249 -9.102 13.727 19 HD3 ARG -3 HD3 ARG -3 -27.599 -9.037 13.108 20 HE ARG -3 HE ARG -3 -27.217 -8.359 15.656 21 HH11 ARG -3 HH11 ARG -3 -29.103 -10.954 14.251 22 HH12 ARG -3 HH12 ARG -3 -28.900 -12.007 15.610 23 HH21 ARG -3 HH21 ARG -3 -26.940 -9.746 17.440 24 HH22 ARG -3 HH22 ARG -3 -27.677 -11.318 17.433 25 H SER -2 H SER -2 -28.048 -3.663 13.067 26 HA SER -2 HA SER -2 -30.081 -2.626 11.435 27 HB2 SER -2 HB2 SER -2 -28.112 -2.187 9.840 28 HB3 SER -2 HB3 SER -2 -28.041 -1.453 11.442 29 HG SER -2 HG SER -2 -26.957 -3.956 11.401 30 HA PRO -1 HA PRO -1 -31.347 -6.133 9.127 31 HB2 PRO -1 HB2 PRO -1 -32.261 -4.804 6.885 32 HB3 PRO -1 HB3 PRO -1 -33.176 -5.003 8.383 33 HG2 PRO -1 HG2 PRO -1 -31.565 -2.668 7.441 34 HG3 PRO -1 HG3 PRO -1 -33.133 -2.688 8.267 35 HD2 PRO -1 HD2 PRO -1 -30.876 -2.112 9.584 36 HD3 PRO -1 HD3 PRO -1 -32.173 -3.056 10.349 37 H GLY 0 H GLY 0 -29.905 -7.454 8.265 38 HA2 GLY 0 HA2 GLY 0 -28.804 -8.336 6.376 39 HA3 GLY 0 HA3 GLY 0 -28.682 -6.713 5.714 40 H MET 1 H MET 1 -27.677 -5.667 8.306 41 HA MET 1 HA MET 1 -24.905 -6.537 7.927 42 HB2 MET 1 HB2 MET 1 -26.048 -4.016 9.123 43 HB3 MET 1 HB3 MET 1 -24.339 -4.422 9.173 44 HG2 MET 1 HG2 MET 1 -24.406 -4.541 6.663 45 HG3 MET 1 HG3 MET 1 -26.026 -3.853 6.757 46 HE1 MET 1 HE1 MET 1 -25.313 -0.359 8.409 47 HE2 MET 1 HE2 MET 1 -25.706 -1.856 9.255 48 HE3 MET 1 HE3 MET 1 -26.549 -1.437 7.763 49 H ALA 2 H ALA 2 -23.560 -6.208 9.983 50 HA ALA 2 HA ALA 2 -24.867 -6.805 12.477 51 HB1 ALA 2 HB1 ALA 2 -23.027 -8.844 11.216 52 HB2 ALA 2 HB2 ALA 2 -24.758 -9.043 11.497 53 HB3 ALA 2 HB3 ALA 2 -23.651 -8.907 12.863 54 H ASP 3 H ASP 3 -23.786 -5.607 13.914 55 HA ASP 3 HA ASP 3 -21.388 -4.287 13.242 56 HB2 ASP 3 HB2 ASP 3 -21.427 -3.324 15.428 57 HB3 ASP 3 HB3 ASP 3 -23.094 -3.436 14.885 58 H GLN 4 H GLN 4 -19.403 -5.006 13.240 59 HA GLN 4 HA GLN 4 -18.775 -7.369 14.869 60 HB2 GLN 4 HB2 GLN 4 -17.757 -6.548 12.150 61 HB3 GLN 4 HB3 GLN 4 -16.998 -7.806 13.118 62 HG2 GLN 4 HG2 GLN 4 -19.053 -9.090 13.102 63 HG3 GLN 4 HG3 GLN 4 -19.855 -7.819 12.180 64 HE21 GLN 4 HE21 GLN 4 -19.347 -7.545 10.009 65 HE22 GLN 4 HE22 GLN 4 -18.517 -8.758 9.098 66 H ARG 5 H ARG 5 -16.263 -7.538 15.143 67 HA ARG 5 HA ARG 5 -15.639 -5.330 16.824 68 HB2 ARG 5 HB2 ARG 5 -13.629 -7.401 16.009 69 HB3 ARG 5 HB3 ARG 5 -13.778 -6.566 17.546 70 HG2 ARG 5 HG2 ARG 5 -15.341 -8.884 16.492 71 HG3 ARG 5 HG3 ARG 5 -14.475 -8.724 18.018 72 HD2 ARG 5 HD2 ARG 5 -16.136 -7.151 18.824 73 HD3 ARG 5 HD3 ARG 5 -16.967 -7.212 17.266 74 HE ARG 5 HE ARG 5 -16.717 -9.777 18.542 75 HH11 ARG 5 HH11 ARG 5 -18.622 -6.851 18.351 76 HH12 ARG 5 HH12 ARG 5 -20.102 -7.630 18.812 77 HH21 ARG 5 HH21 ARG 5 -18.683 -10.817 19.145 78 HH22 ARG 5 HH22 ARG 5 -20.137 -9.880 19.272 79 H GLN 6 H GLN 6 -15.002 -6.179 13.617 80 HA GLN 6 HA GLN 6 -13.946 -5.238 11.875 81 HB2 GLN 6 HB2 GLN 6 -14.843 -2.927 13.527 82 HB3 GLN 6 HB3 GLN 6 -14.020 -2.657 11.995 83 HG2 GLN 6 HG2 GLN 6 -15.751 -3.950 10.852 84 HG3 GLN 6 HG3 GLN 6 -16.565 -4.219 12.392 85 HE21 GLN 6 HE21 GLN 6 -18.431 -3.206 11.647 86 HE22 GLN 6 HE22 GLN 6 -18.533 -1.487 11.480 87 H ARG 7 H ARG 7 -12.134 -6.096 13.930 88 HA ARG 7 HA ARG 7 -9.989 -4.163 13.567 89 HB2 ARG 7 HB2 ARG 7 -10.217 -4.788 15.836 90 HB3 ARG 7 HB3 ARG 7 -10.395 -6.490 15.436 91 HG2 ARG 7 HG2 ARG 7 -8.247 -6.089 16.398 92 HG3 ARG 7 HG3 ARG 7 -8.080 -6.526 14.696 93 HD2 ARG 7 HD2 ARG 7 -6.602 -4.655 15.326 94 HD3 ARG 7 HD3 ARG 7 -7.775 -4.212 14.091 95 HE ARG 7 HE ARG 7 -8.476 -3.607 16.851 96 HH11 ARG 7 HH11 ARG 7 -7.276 -2.462 13.767 97 HH12 ARG 7 HH12 ARG 7 -7.591 -0.793 14.119 98 HH21 ARG 7 HH21 ARG 7 -8.909 -1.400 17.309 99 HH22 ARG 7 HH22 ARG 7 -8.509 -0.191 16.130 100 H SER 8 H SER 8 -10.572 -7.660 13.349 101 HA SER 8 HA SER 8 -8.360 -7.985 11.505 102 HB2 SER 8 HB2 SER 8 -9.208 -10.417 11.572 103 HB3 SER 8 HB3 SER 8 -8.540 -9.752 13.066 104 HG SER 8 HG SER 8 -10.809 -10.888 12.876 105 H LEU 9 H LEU 9 -11.867 -8.484 11.512 106 HA LEU 9 HA LEU 9 -11.951 -9.172 8.770 107 HB2 LEU 9 HB2 LEU 9 -14.348 -9.245 8.971 108 HB3 LEU 9 HB3 LEU 9 -13.598 -10.073 10.292 109 HG LEU 9 HG LEU 9 -15.637 -8.944 10.952 110 HD11 LEU 9 HD11 LEU 9 -13.679 -9.174 12.478 111 HD12 LEU 9 HD12 LEU 9 -14.903 -7.990 12.930 112 HD13 LEU 9 HD13 LEU 9 -13.385 -7.457 12.209 113 HD21 LEU 9 HD21 LEU 9 -14.281 -6.388 10.129 114 HD22 LEU 9 HD22 LEU 9 -15.780 -6.498 11.051 115 HD23 LEU 9 HD23 LEU 9 -15.713 -7.113 9.399 116 H SER 10 H SER 10 -11.316 -6.271 10.058 117 HA SER 10 HA SER 10 -12.760 -4.681 8.099 118 HB2 SER 10 HB2 SER 10 -11.533 -2.777 9.149 119 HB3 SER 10 HB3 SER 10 -12.450 -3.725 10.323 120 HG SER 10 HG SER 10 -10.472 -3.451 11.208 121 H THR 11 H THR 11 -9.959 -6.498 8.275 122 HA THR 11 HA THR 11 -8.679 -4.962 6.120 123 HB THR 11 HB THR 11 -6.562 -6.165 6.833 124 HG1 THR 11 HG1 THR 11 -8.293 -7.373 8.487 125 HG21 THR 11 HG21 THR 11 -7.855 -4.301 8.828 126 HG22 THR 11 HG22 THR 11 -6.951 -3.822 7.392 127 HG23 THR 11 HG23 THR 11 -6.129 -4.646 8.716 128 H SER 12 H SER 12 -8.733 -5.880 4.205 129 HA SER 12 HA SER 12 -9.688 -8.544 3.809 130 HB2 SER 12 HB2 SER 12 -10.251 -6.778 2.228 131 HB3 SER 12 HB3 SER 12 -8.546 -6.498 1.887 132 HG SER 12 HG SER 12 -8.838 -7.886 0.342 133 H GLY 13 H GLY 13 -6.600 -7.101 4.196 134 HA2 GLY 13 HA2 GLY 13 -4.761 -8.694 4.670 135 HA3 GLY 13 HA3 GLY 13 -5.289 -9.572 3.238 136 H GLU 14 H GLU 14 -5.893 -7.036 1.883 137 HA GLU 14 HA GLU 14 -3.187 -6.357 1.028 138 HB2 GLU 14 HB2 GLU 14 -4.240 -5.430 -0.942 139 HB3 GLU 14 HB3 GLU 14 -4.900 -7.035 -0.656 140 HG2 GLU 14 HG2 GLU 14 -6.686 -5.586 0.694 141 HG3 GLU 14 HG3 GLU 14 -6.190 -4.391 -0.502 142 H SER 15 H SER 15 -2.437 -4.239 1.085 143 HA SER 15 HA SER 15 -3.965 -2.503 2.907 144 HB2 SER 15 HB2 SER 15 -0.962 -2.530 2.583 145 HB3 SER 15 HB3 SER 15 -1.900 -1.736 3.847 146 HG SER 15 HG SER 15 -2.567 -3.837 4.536 147 H LEU 16 H LEU 16 -1.355 -2.209 0.480 148 HA LEU 16 HA LEU 16 -1.831 0.527 -0.013 149 HB2 LEU 16 HB2 LEU 16 -0.371 -1.595 -1.552 150 HB3 LEU 16 HB3 LEU 16 -0.467 0.057 -2.114 151 HG LEU 16 HG LEU 16 1.636 -0.315 -1.057 152 HD11 LEU 16 HD11 LEU 16 1.617 1.418 0.683 153 HD12 LEU 16 HD12 LEU 16 -0.145 1.361 0.695 154 HD13 LEU 16 HD13 LEU 16 0.711 1.893 -0.753 155 HD21 LEU 16 HD21 LEU 16 1.858 -0.906 1.303 156 HD22 LEU 16 HD22 LEU 16 1.086 -2.187 0.369 157 HD23 LEU 16 HD23 LEU 16 0.113 -1.138 1.399 158 H TYR 17 H TYR 17 -2.655 -2.368 -1.863 159 HA TYR 17 HA TYR 17 -4.076 -1.290 -3.953 160 HB2 TYR 17 HB2 TYR 17 -4.774 -3.766 -2.360 161 HB3 TYR 17 HB3 TYR 17 -5.457 -3.366 -3.929 162 HD1 TYR 17 HD2 TYR 17 -3.926 -3.270 -5.926 163 HD2 TYR 17 HD1 TYR 17 -2.690 -4.851 -2.177 164 HE1 TYR 17 HE2 TYR 17 -2.060 -4.424 -7.038 165 HE2 TYR 17 HE1 TYR 17 -0.817 -6.009 -3.276 166 HH TYR 17 HH TYR 17 -0.245 -6.847 -5.564 167 H HIS 18 H HIS 18 -5.138 -1.761 -0.633 168 HA HIS 18 HA HIS 18 -7.876 -1.231 -1.056 169 HB2 HIS 18 HB2 HIS 18 -6.991 -2.421 0.924 170 HB3 HIS 18 HB3 HIS 18 -6.272 -0.914 1.486 171 HD1 HIS 18 HD1 HIS 18 -7.748 0.626 2.827 172 HD2 HIS 18 HD2 HIS 18 -9.873 -2.386 0.901 173 HE1 HIS 18 HE1 HIS 18 -10.103 0.808 3.684 174 HE2 HIS 18 HE2 HIS 18 -11.403 -0.917 2.385 175 H VAL 19 H VAL 19 -5.131 0.861 -0.413 176 HA VAL 19 HA VAL 19 -6.658 3.128 0.397 177 HB VAL 19 HB VAL 19 -4.704 4.184 0.732 178 HG11 VAL 19 HG11 VAL 19 -4.101 2.132 1.701 179 HG12 VAL 19 HG12 VAL 19 -2.687 2.661 0.785 180 HG13 VAL 19 HG13 VAL 19 -3.738 1.409 0.135 181 HG21 VAL 19 HG21 VAL 19 -2.763 4.038 -0.956 182 HG22 VAL 19 HG22 VAL 19 -4.214 4.933 -1.411 183 HG23 VAL 19 HG23 VAL 19 -3.954 3.296 -2.036 184 H LEU 20 H LEU 20 -5.558 1.862 -2.641 185 HA LEU 20 HA LEU 20 -6.299 4.270 -4.076 186 HB2 LEU 20 HB2 LEU 20 -4.956 1.699 -4.812 187 HB3 LEU 20 HB3 LEU 20 -5.589 2.747 -6.070 188 HG LEU 20 HG LEU 20 -3.496 3.495 -4.023 189 HD11 LEU 20 HD11 LEU 20 -3.281 2.981 -6.982 190 HD12 LEU 20 HD12 LEU 20 -2.590 2.001 -5.688 191 HD13 LEU 20 HD13 LEU 20 -1.996 3.641 -5.966 192 HD21 LEU 20 HD21 LEU 20 -3.273 5.536 -5.422 193 HD22 LEU 20 HD22 LEU 20 -4.789 5.424 -4.535 194 HD23 LEU 20 HD23 LEU 20 -4.751 5.063 -6.264 195 H GLY 21 H GLY 21 -7.671 1.335 -3.137 196 HA2 GLY 21 HA2 GLY 21 -9.899 0.745 -3.252 197 HA3 GLY 21 HA3 GLY 21 -10.177 2.107 -4.325 198 H LEU 22 H LEU 22 -7.603 0.201 -5.364 199 HA LEU 22 HA LEU 22 -9.340 -1.126 -7.310 200 HB2 LEU 22 HB2 LEU 22 -7.047 -1.601 -8.437 201 HB3 LEU 22 HB3 LEU 22 -7.781 -0.024 -8.596 202 HG LEU 22 HG LEU 22 -6.288 0.685 -6.638 203 HD11 LEU 22 HD11 LEU 22 -4.209 -0.595 -6.405 204 HD12 LEU 22 HD12 LEU 22 -4.888 -1.864 -7.426 205 HD13 LEU 22 HD13 LEU 22 -5.617 -1.507 -5.858 206 HD21 LEU 22 HD21 LEU 22 -5.061 -0.082 -9.279 207 HD22 LEU 22 HD22 LEU 22 -4.400 1.082 -8.130 208 HD23 LEU 22 HD23 LEU 22 -5.938 1.408 -8.924 209 H ASP 23 H ASP 23 -8.608 -3.314 -8.004 210 HA ASP 23 HA ASP 23 -8.314 -4.945 -5.635 211 HB2 ASP 23 HB2 ASP 23 -8.724 -5.687 -8.538 212 HB3 ASP 23 HB3 ASP 23 -8.658 -6.844 -7.219 213 H LYS 24 H LYS 24 -6.922 -7.010 -6.095 214 HA LYS 24 HA LYS 24 -4.226 -6.006 -6.313 215 HB2 LYS 24 HB2 LYS 24 -3.598 -8.262 -5.517 216 HB3 LYS 24 HB3 LYS 24 -4.755 -7.467 -4.462 217 HG2 LYS 24 HG2 LYS 24 -6.200 -8.986 -6.377 218 HG3 LYS 24 HG3 LYS 24 -4.940 -10.006 -5.696 219 HD2 LYS 24 HD2 LYS 24 -6.746 -10.333 -4.253 220 HD3 LYS 24 HD3 LYS 24 -5.759 -9.136 -3.412 221 HE2 LYS 24 HE2 LYS 24 -7.198 -7.352 -4.277 222 HE3 LYS 24 HE3 LYS 24 -8.177 -8.552 -5.116 223 HZ1 LYS 24 HZ1 LYS 24 -7.923 -8.106 -2.202 224 HZ2 LYS 24 HZ2 LYS 24 -8.541 -9.551 -2.830 225 HZ3 LYS 24 HZ3 LYS 24 -9.322 -8.089 -3.154 226 H ASN 25 H ASN 25 -6.158 -6.477 -8.607 227 HA ASN 25 HA ASN 25 -4.415 -8.167 -10.269 228 HB2 ASN 25 HB2 ASN 25 -7.380 -7.603 -10.541 229 HB3 ASN 25 HB3 ASN 25 -6.423 -8.448 -11.751 230 HD21 ASN 25 HD21 ASN 25 -7.979 -8.643 -8.681 231 HD22 ASN 25 HD22 ASN 25 -7.743 -10.335 -8.434 232 H ALA 26 H ALA 26 -4.875 -5.109 -9.501 233 HA ALA 26 HA ALA 26 -5.338 -3.825 -11.999 234 HB1 ALA 26 HB1 ALA 26 -5.726 -2.615 -9.930 235 HB2 ALA 26 HB2 ALA 26 -4.486 -1.788 -10.898 236 HB3 ALA 26 HB3 ALA 26 -4.017 -2.768 -9.501 237 H THR 27 H THR 27 -3.838 -2.666 -13.259 238 HA THR 27 HA THR 27 -1.173 -3.906 -13.275 239 HB THR 27 HB THR 27 -2.541 -4.150 -15.355 240 HG1 THR 27 HG1 THR 27 -0.841 -3.312 -16.765 241 HG21 THR 27 HG21 THR 27 -2.863 -2.194 -16.797 242 HG22 THR 27 HG22 THR 27 -2.224 -1.154 -15.524 243 HG23 THR 27 HG23 THR 27 -3.736 -2.027 -15.274 244 H SER 28 H SER 28 0.540 -2.312 -14.216 245 HA SER 28 HA SER 28 1.096 -0.335 -12.424 246 HB2 SER 28 HB2 SER 28 1.823 -0.301 -15.361 247 HB3 SER 28 HB3 SER 28 2.665 0.559 -14.073 248 HG SER 28 HG SER 28 3.446 -1.306 -13.293 249 H ASP 29 H ASP 29 -0.721 -0.047 -15.405 250 HA ASP 29 HA ASP 29 -0.985 2.747 -15.414 251 HB2 ASP 29 HB2 ASP 29 -2.658 0.598 -16.702 252 HB3 ASP 29 HB3 ASP 29 -2.921 2.319 -16.967 253 H ASP 30 H ASP 30 -3.057 0.219 -13.960 254 HA ASP 30 HA ASP 30 -5.192 2.026 -13.409 255 HB2 ASP 30 HB2 ASP 30 -4.483 -0.738 -12.452 256 HB3 ASP 30 HB3 ASP 30 -5.845 0.139 -11.757 257 H ILE 31 H ILE 31 -2.416 0.812 -11.683 258 HA ILE 31 HA ILE 31 -3.000 1.874 -9.146 259 HB ILE 31 HB ILE 31 -0.369 1.149 -10.440 260 HG12 ILE 31 HG12 ILE 31 -1.766 -0.474 -8.357 261 HG13 ILE 31 HG13 ILE 31 -2.389 -0.511 -10.003 262 HG21 ILE 31 HG21 ILE 31 0.540 1.019 -8.175 263 HG22 ILE 31 HG22 ILE 31 -0.990 1.609 -7.524 264 HG23 ILE 31 HG23 ILE 31 -0.008 2.654 -8.551 265 HD11 ILE 31 HD11 ILE 31 -0.229 -1.264 -10.811 266 HD12 ILE 31 HD12 ILE 31 -0.869 -2.350 -9.577 267 HD13 ILE 31 HD13 ILE 31 0.415 -1.209 -9.171 268 H LYS 32 H LYS 32 -1.172 3.182 -11.898 269 HA LYS 32 HA LYS 32 -0.297 5.526 -10.554 270 HB2 LYS 32 HB2 LYS 32 -0.657 5.145 -13.527 271 HB3 LYS 32 HB3 LYS 32 0.297 6.386 -12.736 272 HG2 LYS 32 HG2 LYS 32 0.844 3.441 -12.661 273 HG3 LYS 32 HG3 LYS 32 1.690 4.636 -13.645 274 HD2 LYS 32 HD2 LYS 32 2.366 5.797 -11.572 275 HD3 LYS 32 HD3 LYS 32 1.610 4.504 -10.640 276 HE2 LYS 32 HE2 LYS 32 3.927 4.025 -10.778 277 HE3 LYS 32 HE3 LYS 32 3.072 2.900 -11.831 278 HZ1 LYS 32 HZ1 LYS 32 3.686 4.238 -13.730 279 HZ2 LYS 32 HZ2 LYS 32 5.074 3.787 -12.874 280 HZ3 LYS 32 HZ3 LYS 32 4.469 5.358 -12.732 281 H LYS 33 H LYS 33 -2.979 4.971 -12.844 282 HA LYS 33 HA LYS 33 -3.917 7.625 -12.815 283 HB2 LYS 33 HB2 LYS 33 -5.502 5.099 -13.325 284 HB3 LYS 33 HB3 LYS 33 -5.963 6.728 -13.803 285 HG2 LYS 33 HG2 LYS 33 -3.863 6.803 -15.177 286 HG3 LYS 33 HG3 LYS 33 -3.673 5.086 -14.839 287 HD2 LYS 33 HD2 LYS 33 -6.083 6.320 -16.163 288 HD3 LYS 33 HD3 LYS 33 -4.758 5.533 -17.019 289 HE2 LYS 33 HE2 LYS 33 -5.248 3.443 -15.821 290 HE3 LYS 33 HE3 LYS 33 -6.591 4.239 -15.000 291 HZ1 LYS 33 HZ1 LYS 33 -7.348 2.945 -16.892 292 HZ2 LYS 33 HZ2 LYS 33 -6.356 3.832 -17.933 293 HZ3 LYS 33 HZ3 LYS 33 -7.645 4.590 -17.145 294 H SER 34 H SER 34 -4.853 4.788 -10.902 295 HA SER 34 HA SER 34 -6.885 5.955 -9.394 296 HB2 SER 34 HB2 SER 34 -6.141 3.497 -9.509 297 HB3 SER 34 HB3 SER 34 -4.959 3.934 -8.278 298 HG SER 34 HG SER 34 -6.722 4.654 -6.983 299 H TYR 35 H TYR 35 -3.385 5.970 -8.968 300 HA TYR 35 HA TYR 35 -3.236 7.244 -6.508 301 HB2 TYR 35 HB2 TYR 35 -1.184 6.504 -7.399 302 HB3 TYR 35 HB3 TYR 35 -1.446 7.330 -8.936 303 HD1 TYR 35 HD1 TYR 35 -1.118 8.186 -5.289 304 HD2 TYR 35 HD2 TYR 35 -0.224 9.253 -9.312 305 HE1 TYR 35 HE1 TYR 35 0.178 10.099 -4.486 306 HE2 TYR 35 HE2 TYR 35 1.086 11.174 -8.511 307 HH TYR 35 HH TYR 35 2.031 11.541 -5.285 308 H ARG 36 H ARG 36 -3.225 8.759 -9.732 309 HA ARG 36 HA ARG 36 -3.270 11.405 -8.910 310 HB2 ARG 36 HB2 ARG 36 -4.658 10.260 -11.339 311 HB3 ARG 36 HB3 ARG 36 -4.151 11.929 -11.120 312 HG2 ARG 36 HG2 ARG 36 -2.343 9.531 -11.316 313 HG3 ARG 36 HG3 ARG 36 -2.612 10.745 -12.565 314 HD2 ARG 36 HD2 ARG 36 -1.450 11.273 -9.832 315 HD3 ARG 36 HD3 ARG 36 -0.517 11.104 -11.316 316 HE ARG 36 HE ARG 36 -2.533 13.141 -11.469 317 HH11 ARG 36 HH11 ARG 36 0.757 12.440 -10.494 318 HH12 ARG 36 HH12 ARG 36 1.253 14.101 -10.519 319 HH21 ARG 36 HH21 ARG 36 -1.881 15.325 -11.513 320 HH22 ARG 36 HH22 ARG 36 -0.243 15.743 -11.121 321 H LYS 37 H LYS 37 -6.026 9.368 -9.785 322 HA LYS 37 HA LYS 37 -8.111 11.104 -9.490 323 HB2 LYS 37 HB2 LYS 37 -7.958 8.179 -8.780 324 HB3 LYS 37 HB3 LYS 37 -9.466 9.076 -8.878 325 HG2 LYS 37 HG2 LYS 37 -9.345 9.288 -11.175 326 HG3 LYS 37 HG3 LYS 37 -7.599 9.040 -11.206 327 HD2 LYS 37 HD2 LYS 37 -9.091 7.132 -12.047 328 HD3 LYS 37 HD3 LYS 37 -7.801 6.722 -10.913 329 HE2 LYS 37 HE2 LYS 37 -9.400 6.722 -9.076 330 HE3 LYS 37 HE3 LYS 37 -10.694 7.193 -10.180 331 HZ1 LYS 37 HZ1 LYS 37 -9.150 4.661 -10.341 332 HZ2 LYS 37 HZ2 LYS 37 -10.433 5.110 -11.346 333 HZ3 LYS 37 HZ3 LYS 37 -10.708 4.814 -9.705 334 H LEU 38 H LEU 38 -6.510 9.282 -6.916 335 HA LEU 38 HA LEU 38 -8.299 10.423 -4.924 336 HB2 LEU 38 HB2 LEU 38 -6.038 8.447 -4.764 337 HB3 LEU 38 HB3 LEU 38 -6.972 8.985 -3.380 338 HG LEU 38 HG LEU 38 -8.248 7.672 -5.770 339 HD11 LEU 38 HD11 LEU 38 -8.231 5.596 -4.474 340 HD12 LEU 38 HD12 LEU 38 -7.243 6.384 -3.241 341 HD13 LEU 38 HD13 LEU 38 -6.603 6.148 -4.868 342 HD21 LEU 38 HD21 LEU 38 -9.148 8.084 -2.920 343 HD22 LEU 38 HD22 LEU 38 -10.043 7.205 -4.160 344 HD23 LEU 38 HD23 LEU 38 -9.754 8.935 -4.341 345 H ALA 39 H ALA 39 -5.006 10.710 -6.006 346 HA ALA 39 HA ALA 39 -3.744 11.902 -3.873 347 HB1 ALA 39 HB1 ALA 39 -2.622 11.150 -5.916 348 HB2 ALA 39 HB2 ALA 39 -2.139 12.781 -5.448 349 HB3 ALA 39 HB3 ALA 39 -3.278 12.543 -6.774 350 H LEU 40 H LEU 40 -5.474 13.635 -6.494 351 HA LEU 40 HA LEU 40 -4.985 16.137 -5.179 352 HB2 LEU 40 HB2 LEU 40 -6.941 16.891 -6.832 353 HB3 LEU 40 HB3 LEU 40 -5.268 16.779 -7.304 354 HG LEU 40 HG LEU 40 -6.971 15.920 -8.937 355 HD11 LEU 40 HD11 LEU 40 -5.627 13.901 -9.531 356 HD12 LEU 40 HD12 LEU 40 -4.736 14.134 -8.028 357 HD13 LEU 40 HD13 LEU 40 -4.694 15.377 -9.277 358 HD21 LEU 40 HD21 LEU 40 -7.896 13.727 -8.666 359 HD22 LEU 40 HD22 LEU 40 -8.419 14.756 -7.332 360 HD23 LEU 40 HD23 LEU 40 -7.142 13.566 -7.082 361 H LYS 41 H LYS 41 -7.718 13.971 -5.449 362 HA LYS 41 HA LYS 41 -9.665 15.272 -4.032 363 HB2 LYS 41 HB2 LYS 41 -10.010 13.100 -5.038 364 HB3 LYS 41 HB3 LYS 41 -8.868 12.362 -3.929 365 HG2 LYS 41 HG2 LYS 41 -10.389 12.913 -2.062 366 HG3 LYS 41 HG3 LYS 41 -11.554 13.530 -3.235 367 HD2 LYS 41 HD2 LYS 41 -11.632 11.327 -4.306 368 HD3 LYS 41 HD3 LYS 41 -10.475 10.715 -3.124 369 HE2 LYS 41 HE2 LYS 41 -12.702 10.067 -2.477 370 HE3 LYS 41 HE3 LYS 41 -12.071 11.248 -1.331 371 HZ1 LYS 41 HZ1 LYS 41 -14.399 11.648 -1.990 372 HZ2 LYS 41 HZ2 LYS 41 -13.887 11.920 -3.578 373 HZ3 LYS 41 HZ3 LYS 41 -13.380 12.951 -2.339 374 H TYR 42 H TYR 42 -6.934 13.429 -2.718 375 HA TYR 42 HA TYR 42 -7.591 14.440 -0.035 376 HB2 TYR 42 HB2 TYR 42 -5.939 12.094 -0.967 377 HB3 TYR 42 HB3 TYR 42 -5.887 12.681 0.694 378 HD1 TYR 42 HD2 TYR 42 -7.894 12.467 2.144 379 HD2 TYR 42 HD1 TYR 42 -7.808 10.858 -1.788 380 HE1 TYR 42 HE2 TYR 42 -9.860 11.092 2.669 381 HE2 TYR 42 HE1 TYR 42 -9.775 9.484 -1.279 382 HH TYR 42 HH TYR 42 -11.673 9.940 1.527 383 H HIS 43 H HIS 43 -6.270 15.999 -2.166 384 HA HIS 43 HA HIS 43 -3.500 16.167 -1.701 385 HB2 HIS 43 HB2 HIS 43 -5.131 17.227 -3.563 386 HB3 HIS 43 HB3 HIS 43 -4.941 18.631 -2.515 387 HD1 HIS 43 HD1 HIS 43 -3.102 20.094 -3.262 388 HD2 HIS 43 HD2 HIS 43 -2.329 16.099 -4.130 389 HE1 HIS 43 HE1 HIS 43 -0.858 20.068 -4.391 390 HE2 HIS 43 HE2 HIS 43 -0.480 17.661 -5.043 391 HA PRO 44 HA PRO 44 -2.863 17.619 2.299 392 HB2 PRO 44 HB2 PRO 44 -1.267 19.871 1.596 393 HB3 PRO 44 HB3 PRO 44 -0.731 18.282 2.137 394 HG2 PRO 44 HG2 PRO 44 -0.984 19.370 -0.600 395 HG3 PRO 44 HG3 PRO 44 0.118 18.128 0.022 396 HD2 PRO 44 HD2 PRO 44 -1.942 17.495 -1.529 397 HD3 PRO 44 HD3 PRO 44 -1.488 16.454 -0.165 398 H ASP 45 H ASP 45 -3.712 20.297 0.061 399 HA ASP 45 HA ASP 45 -4.360 21.994 2.293 400 HB2 ASP 45 HB2 ASP 45 -3.460 22.952 0.213 401 HB3 ASP 45 HB3 ASP 45 -4.905 22.429 -0.648 402 H LYS 46 H LYS 46 -6.008 19.586 0.608 403 HA LYS 46 HA LYS 46 -8.672 20.623 1.037 404 HB2 LYS 46 HB2 LYS 46 -7.714 17.841 0.352 405 HB3 LYS 46 HB3 LYS 46 -9.369 18.397 0.274 406 HG2 LYS 46 HG2 LYS 46 -8.281 20.205 -1.321 407 HG3 LYS 46 HG3 LYS 46 -7.100 18.916 -1.532 408 HD2 LYS 46 HD2 LYS 46 -8.880 17.369 -2.154 409 HD3 LYS 46 HD3 LYS 46 -10.078 18.645 -1.937 410 HE2 LYS 46 HE2 LYS 46 -7.793 18.766 -3.895 411 HE3 LYS 46 HE3 LYS 46 -9.422 18.241 -4.311 412 HZ1 LYS 46 HZ1 LYS 46 -10.246 20.420 -3.680 413 HZ2 LYS 46 HZ2 LYS 46 -9.043 20.570 -4.858 414 HZ3 LYS 46 HZ3 LYS 46 -8.691 20.914 -3.244 415 H ASN 47 H ASN 47 -6.557 19.962 3.232 416 HA ASN 47 HA ASN 47 -8.006 17.849 4.654 417 HB2 ASN 47 HB2 ASN 47 -5.140 18.755 4.941 418 HB3 ASN 47 HB3 ASN 47 -5.889 17.462 5.858 419 HD21 ASN 47 HD21 ASN 47 -6.303 18.123 2.408 420 HD22 ASN 47 HD22 ASN 47 -5.613 16.627 1.891 421 HA PRO 48 HA PRO 48 -8.734 20.832 7.924 422 HB2 PRO 48 HB2 PRO 48 -9.643 18.711 9.594 423 HB3 PRO 48 HB3 PRO 48 -10.613 19.916 8.756 424 HG2 PRO 48 HG2 PRO 48 -10.602 17.217 8.172 425 HG3 PRO 48 HG3 PRO 48 -11.121 18.494 7.061 426 HD2 PRO 48 HD2 PRO 48 -8.544 17.000 7.163 427 HD3 PRO 48 HD3 PRO 48 -9.448 17.609 5.762 428 H ASP 49 H ASP 49 -8.558 20.120 10.563 429 HA ASP 49 HA ASP 49 -5.759 20.286 10.938 430 HB2 ASP 49 HB2 ASP 49 -7.476 21.343 12.377 431 HB3 ASP 49 HB3 ASP 49 -7.909 19.748 12.986 432 H ASN 50 H ASN 50 -8.084 17.695 11.114 433 HA ASN 50 HA ASN 50 -6.354 15.760 12.269 434 HB2 ASN 50 HB2 ASN 50 -8.041 14.138 11.162 435 HB3 ASN 50 HB3 ASN 50 -8.619 15.193 12.437 436 HD21 ASN 50 HD21 ASN 50 -8.770 14.400 9.106 437 HD22 ASN 50 HD22 ASN 50 -10.066 15.452 8.686 438 HA PRO 51 HA PRO 51 -3.837 15.062 8.645 439 HB2 PRO 51 HB2 PRO 51 -2.294 13.114 9.702 440 HB3 PRO 51 HB3 PRO 51 -2.107 14.815 10.142 441 HG2 PRO 51 HG2 PRO 51 -3.508 12.623 11.612 442 HG3 PRO 51 HG3 PRO 51 -2.453 13.899 12.245 443 HD2 PRO 51 HD2 PRO 51 -5.173 14.002 12.368 444 HD3 PRO 51 HD3 PRO 51 -4.144 15.446 12.289 445 H GLU 52 H GLU 52 -6.441 13.582 9.259 446 HA GLU 52 HA GLU 52 -6.273 10.853 8.698 447 HB2 GLU 52 HB2 GLU 52 -8.267 12.001 9.585 448 HB3 GLU 52 HB3 GLU 52 -8.443 12.849 8.056 449 HG2 GLU 52 HG2 GLU 52 -8.811 10.699 6.939 450 HG3 GLU 52 HG3 GLU 52 -8.734 9.891 8.503 451 H ALA 53 H ALA 53 -7.160 13.526 6.561 452 HA ALA 53 HA ALA 53 -7.131 12.014 4.180 453 HB1 ALA 53 HB1 ALA 53 -7.313 14.196 3.080 454 HB2 ALA 53 HB2 ALA 53 -6.933 14.989 4.611 455 HB3 ALA 53 HB3 ALA 53 -8.419 14.055 4.449 456 H ALA 54 H ALA 54 -4.682 13.630 6.001 457 HA ALA 54 HA ALA 54 -2.730 13.844 3.933 458 HB1 ALA 54 HB1 ALA 54 -2.612 15.254 5.901 459 HB2 ALA 54 HB2 ALA 54 -1.162 14.254 5.790 460 HB3 ALA 54 HB3 ALA 54 -2.439 13.834 6.935 461 H ASP 55 H ASP 55 -3.426 11.516 6.484 462 HA ASP 55 HA ASP 55 -1.335 9.695 5.984 463 HB2 ASP 55 HB2 ASP 55 -3.258 9.838 7.841 464 HB3 ASP 55 HB3 ASP 55 -3.997 8.666 6.775 465 H LYS 56 H LYS 56 -4.578 10.026 4.828 466 HA LYS 56 HA LYS 56 -4.830 7.895 3.100 467 HB2 LYS 56 HB2 LYS 56 -5.943 10.549 3.490 468 HB3 LYS 56 HB3 LYS 56 -6.093 9.969 1.828 469 HG2 LYS 56 HG2 LYS 56 -7.204 8.768 4.344 470 HG3 LYS 56 HG3 LYS 56 -8.071 9.426 2.962 471 HD2 LYS 56 HD2 LYS 56 -6.456 6.882 3.052 472 HD3 LYS 56 HD3 LYS 56 -8.205 7.034 2.893 473 HE2 LYS 56 HE2 LYS 56 -7.887 8.133 0.711 474 HE3 LYS 56 HE3 LYS 56 -6.143 7.913 0.878 475 HZ1 LYS 56 HZ1 LYS 56 -8.182 5.763 0.715 476 HZ2 LYS 56 HZ2 LYS 56 -6.539 5.501 1.030 477 HZ3 LYS 56 HZ3 LYS 56 -7.025 6.149 -0.459 478 H PHE 57 H PHE 57 -3.919 11.219 2.183 479 HA PHE 57 HA PHE 57 -3.040 10.680 -0.374 480 HB2 PHE 57 HB2 PHE 57 -3.268 12.960 0.567 481 HB3 PHE 57 HB3 PHE 57 -1.793 12.695 1.494 482 HD1 PHE 57 HD1 PHE 57 -2.119 11.388 -1.899 483 HD2 PHE 57 HD2 PHE 57 -0.704 14.628 0.469 484 HE1 PHE 57 HE1 PHE 57 -0.773 12.192 -3.797 485 HE2 PHE 57 HE2 PHE 57 0.640 15.429 -1.412 486 HZ PHE 57 HZ PHE 57 0.579 14.246 -3.563 487 H LYS 58 H LYS 58 -1.294 10.386 2.620 488 HA LYS 58 HA LYS 58 1.253 9.805 1.699 489 HB2 LYS 58 HB2 LYS 58 0.594 10.232 4.023 490 HB3 LYS 58 HB3 LYS 58 -0.206 8.673 4.082 491 HG2 LYS 58 HG2 LYS 58 1.993 7.601 3.674 492 HG3 LYS 58 HG3 LYS 58 2.737 9.199 3.802 493 HD2 LYS 58 HD2 LYS 58 1.238 7.657 5.919 494 HD3 LYS 58 HD3 LYS 58 2.912 8.215 5.963 495 HE2 LYS 58 HE2 LYS 58 2.223 10.492 6.162 496 HE3 LYS 58 HE3 LYS 58 0.540 10.078 5.835 497 HZ1 LYS 58 HZ1 LYS 58 2.026 9.075 8.200 498 HZ2 LYS 58 HZ2 LYS 58 0.354 9.013 7.926 499 HZ3 LYS 58 HZ3 LYS 58 1.115 10.497 8.219 500 H GLU 59 H GLU 59 -1.412 7.540 2.415 501 HA GLU 59 HA GLU 59 0.071 5.256 1.551 502 HB2 GLU 59 HB2 GLU 59 -2.137 4.091 1.722 503 HB3 GLU 59 HB3 GLU 59 -1.577 4.858 3.189 504 HG2 GLU 59 HG2 GLU 59 -3.073 6.712 2.806 505 HG3 GLU 59 HG3 GLU 59 -3.610 5.985 1.297 506 H ILE 60 H ILE 60 -2.299 7.372 -0.046 507 HA ILE 60 HA ILE 60 -2.606 5.908 -2.441 508 HB ILE 60 HB ILE 60 -2.287 8.909 -2.404 509 HG12 ILE 60 HG12 ILE 60 -4.888 7.461 -1.934 510 HG13 ILE 60 HG13 ILE 60 -3.905 8.111 -0.626 511 HG21 ILE 60 HG21 ILE 60 -2.541 7.429 -4.522 512 HG22 ILE 60 HG22 ILE 60 -3.432 8.942 -4.385 513 HG23 ILE 60 HG23 ILE 60 -4.243 7.407 -4.066 514 HD11 ILE 60 HD11 ILE 60 -5.573 9.721 -1.103 515 HD12 ILE 60 HD12 ILE 60 -5.266 9.623 -2.837 516 HD13 ILE 60 HD13 ILE 60 -4.068 10.346 -1.775 517 H ASN 61 H ASN 61 -0.331 8.426 -1.540 518 HA ASN 61 HA ASN 61 1.185 8.415 -3.904 519 HB2 ASN 61 HB2 ASN 61 0.983 10.217 -2.117 520 HB3 ASN 61 HB3 ASN 61 2.112 9.258 -1.150 521 HD21 ASN 61 HD21 ASN 61 3.575 10.950 -1.184 522 HD22 ASN 61 HD22 ASN 61 4.533 11.307 -2.579 523 H ASN 62 H ASN 62 1.342 6.586 -0.946 524 HA ASN 62 HA ASN 62 3.880 5.388 -1.396 525 HB2 ASN 62 HB2 ASN 62 2.300 5.517 0.752 526 HB3 ASN 62 HB3 ASN 62 1.776 3.953 0.141 527 HD21 ASN 62 HD21 ASN 62 3.162 2.238 0.193 528 HD22 ASN 62 HD22 ASN 62 4.639 2.254 1.081 529 H ALA 63 H ALA 63 0.578 4.096 -1.699 530 HA ALA 63 HA ALA 63 1.192 1.635 -2.827 531 HB1 ALA 63 HB1 ALA 63 -1.270 3.318 -3.270 532 HB2 ALA 63 HB2 ALA 63 -1.005 2.192 -1.936 533 HB3 ALA 63 HB3 ALA 63 -1.133 1.589 -3.587 534 H HIS 64 H HIS 64 0.780 4.749 -4.343 535 HA HIS 64 HA HIS 64 0.591 4.236 -7.003 536 HB2 HIS 64 HB2 HIS 64 0.601 6.470 -6.301 537 HB3 HIS 64 HB3 HIS 64 2.141 6.302 -5.468 538 HD1 HIS 64 HD1 HIS 64 4.166 7.049 -6.713 539 HD2 HIS 64 HD2 HIS 64 0.891 6.508 -9.212 540 HE1 HIS 64 HE1 HIS 64 4.885 7.905 -8.959 541 HE2 HIS 64 HE2 HIS 64 2.819 7.765 -10.391 542 H ALA 65 H ALA 65 3.554 4.044 -5.066 543 HA ALA 65 HA ALA 65 5.059 3.183 -7.410 544 HB1 ALA 65 HB1 ALA 65 5.971 3.610 -4.568 545 HB2 ALA 65 HB2 ALA 65 6.100 4.781 -5.880 546 HB3 ALA 65 HB3 ALA 65 7.012 3.273 -5.951 547 H ILE 66 H ILE 66 4.032 1.976 -4.272 548 HA ILE 66 HA ILE 66 5.447 -0.330 -4.009 549 HB ILE 66 HB ILE 66 2.530 -0.128 -3.287 550 HG12 ILE 66 HG12 ILE 66 3.473 1.834 -2.378 551 HG13 ILE 66 HG13 ILE 66 3.440 0.679 -1.053 552 HG21 ILE 66 HG21 ILE 66 4.785 -1.702 -2.056 553 HG22 ILE 66 HG22 ILE 66 3.468 -2.350 -3.031 554 HG23 ILE 66 HG23 ILE 66 3.129 -1.635 -1.456 555 HD11 ILE 66 HD11 ILE 66 5.793 0.271 -1.298 556 HD12 ILE 66 HD12 ILE 66 5.500 2.005 -1.147 557 HD13 ILE 66 HD13 ILE 66 5.856 1.302 -2.730 558 H LEU 67 H LEU 67 2.236 -0.150 -5.599 559 HA LEU 67 HA LEU 67 2.147 -2.978 -5.872 560 HB2 LEU 67 HB2 LEU 67 0.444 -0.818 -7.081 561 HB3 LEU 67 HB3 LEU 67 0.148 -2.523 -7.329 562 HG LEU 67 HG LEU 67 -1.144 -2.504 -5.528 563 HD11 LEU 67 HD11 LEU 67 1.299 -1.690 -3.965 564 HD12 LEU 67 HD12 LEU 67 0.840 -3.343 -4.379 565 HD13 LEU 67 HD13 LEU 67 -0.179 -2.388 -3.304 566 HD21 LEU 67 HD21 LEU 67 -0.081 0.243 -4.920 567 HD22 LEU 67 HD22 LEU 67 -1.507 -0.502 -4.194 568 HD23 LEU 67 HD23 LEU 67 -1.484 -0.133 -5.920 569 H THR 68 H THR 68 3.284 -0.445 -7.984 570 HA THR 68 HA THR 68 3.468 -2.345 -10.194 571 HB THR 68 HB THR 68 2.599 -0.137 -10.750 572 HG1 THR 68 HG1 THR 68 5.144 -0.847 -11.797 573 HG21 THR 68 HG21 THR 68 3.702 1.176 -9.047 574 HG22 THR 68 HG22 THR 68 4.068 1.831 -10.641 575 HG23 THR 68 HG23 THR 68 5.270 0.867 -9.788 576 H ASP 69 H ASP 69 5.322 -1.222 -7.630 577 HA ASP 69 HA ASP 69 7.884 -1.617 -8.966 578 HB2 ASP 69 HB2 ASP 69 7.641 0.204 -7.267 579 HB3 ASP 69 HB3 ASP 69 7.317 -1.036 -6.049 580 H ALA 70 H ALA 70 8.978 -3.450 -8.910 581 HA ALA 70 HA ALA 70 7.712 -5.823 -8.133 582 HB1 ALA 70 HB1 ALA 70 10.628 -5.398 -8.744 583 HB2 ALA 70 HB2 ALA 70 9.367 -5.707 -9.934 584 HB3 ALA 70 HB3 ALA 70 9.774 -6.941 -8.740 585 H THR 71 H THR 71 10.042 -3.782 -6.473 586 HA THR 71 HA THR 71 10.647 -5.847 -4.535 587 HB THR 71 HB THR 71 11.468 -2.941 -4.556 588 HG1 THR 71 HG1 THR 71 13.077 -5.201 -5.192 589 HG21 THR 71 HG21 THR 71 13.156 -3.709 -2.923 590 HG22 THR 71 HG22 THR 71 12.399 -5.309 -2.931 591 HG23 THR 71 HG23 THR 71 11.501 -3.909 -2.340 592 H LYS 72 H LYS 72 9.032 -2.651 -4.471 593 HA LYS 72 HA LYS 72 8.496 -2.740 -1.710 594 HB2 LYS 72 HB2 LYS 72 7.615 -1.046 -3.954 595 HB3 LYS 72 HB3 LYS 72 6.541 -1.098 -2.566 596 HG2 LYS 72 HG2 LYS 72 7.850 0.633 -1.929 597 HG3 LYS 72 HG3 LYS 72 8.803 -0.689 -1.259 598 HD2 LYS 72 HD2 LYS 72 10.315 0.723 -2.382 599 HD3 LYS 72 HD3 LYS 72 10.095 -0.688 -3.421 600 HE2 LYS 72 HE2 LYS 72 10.045 1.308 -4.774 601 HE3 LYS 72 HE3 LYS 72 8.429 0.596 -4.731 602 HZ1 LYS 72 HZ1 LYS 72 9.244 2.763 -2.881 603 HZ2 LYS 72 HZ2 LYS 72 7.681 2.244 -3.263 604 HZ3 LYS 72 HZ3 LYS 72 8.592 3.087 -4.410 605 H ARG 73 H ARG 73 6.787 -4.113 -4.401 606 HA ARG 73 HA ARG 73 4.509 -4.728 -2.693 607 HB2 ARG 73 HB2 ARG 73 3.460 -5.728 -4.601 608 HB3 ARG 73 HB3 ARG 73 4.147 -4.194 -5.105 609 HG2 ARG 73 HG2 ARG 73 6.074 -5.415 -6.054 610 HG3 ARG 73 HG3 ARG 73 5.272 -6.931 -5.634 611 HD2 ARG 73 HD2 ARG 73 3.387 -6.352 -7.050 612 HD3 ARG 73 HD3 ARG 73 4.129 -4.800 -7.432 613 HE ARG 73 HE ARG 73 5.774 -7.065 -8.091 614 HH11 ARG 73 HH11 ARG 73 3.243 -4.918 -9.198 615 HH12 ARG 73 HH12 ARG 73 3.525 -5.248 -10.880 616 HH21 ARG 73 HH21 ARG 73 6.164 -7.488 -10.303 617 HH22 ARG 73 HH22 ARG 73 5.192 -6.713 -11.511 618 H ASN 74 H ASN 74 7.419 -6.092 -3.862 619 HA ASN 74 HA ASN 74 7.005 -8.802 -3.377 620 HB2 ASN 74 HB2 ASN 74 8.981 -7.902 -4.555 621 HB3 ASN 74 HB3 ASN 74 9.545 -7.197 -3.044 622 HD21 ASN 74 HD21 ASN 74 10.319 -8.529 -1.428 623 HD22 ASN 74 HD22 ASN 74 10.860 -10.129 -1.760 624 H ILE 75 H ILE 75 8.757 -6.530 -1.195 625 HA ILE 75 HA ILE 75 8.728 -8.400 0.928 626 HB ILE 75 HB ILE 75 9.606 -6.782 2.380 627 HG12 ILE 75 HG12 ILE 75 7.907 -5.019 2.002 628 HG13 ILE 75 HG13 ILE 75 9.547 -4.388 2.058 629 HG21 ILE 75 HG21 ILE 75 10.558 -6.082 -0.381 630 HG22 ILE 75 HG22 ILE 75 11.118 -7.424 0.615 631 HG23 ILE 75 HG23 ILE 75 11.419 -5.765 1.124 632 HD11 ILE 75 HD11 ILE 75 8.226 -3.322 0.329 633 HD12 ILE 75 HD12 ILE 75 7.935 -4.893 -0.426 634 HD13 ILE 75 HD13 ILE 75 9.571 -4.230 -0.365 635 H TYR 76 H TYR 76 6.525 -5.863 -0.022 636 HA TYR 76 HA TYR 76 4.925 -5.654 2.228 637 HB2 TYR 76 HB2 TYR 76 4.369 -4.112 0.616 638 HB3 TYR 76 HB3 TYR 76 4.548 -5.265 -0.699 639 HD1 TYR 76 HD2 TYR 76 2.260 -3.903 1.818 640 HD2 TYR 76 HD1 TYR 76 2.715 -6.675 -1.376 641 HE1 TYR 76 HE2 TYR 76 -0.184 -4.136 1.677 642 HE2 TYR 76 HE1 TYR 76 0.276 -6.911 -1.531 643 HH TYR 76 HH TYR 76 -1.696 -6.593 -0.117 644 H ASP 77 H ASP 77 4.789 -7.957 -0.434 645 HA ASP 77 HA ASP 77 2.536 -9.352 0.716 646 HB2 ASP 77 HB2 ASP 77 2.698 -9.205 -1.699 647 HB3 ASP 77 HB3 ASP 77 4.282 -9.980 -1.674 648 H LYS 78 H LYS 78 6.000 -9.661 0.640 649 HA LYS 78 HA LYS 78 6.088 -12.374 1.549 650 HB2 LYS 78 HB2 LYS 78 8.038 -10.231 1.031 651 HB3 LYS 78 HB3 LYS 78 8.501 -11.336 2.311 652 HG2 LYS 78 HG2 LYS 78 9.469 -12.312 0.476 653 HG3 LYS 78 HG3 LYS 78 7.939 -13.179 0.563 654 HD2 LYS 78 HD2 LYS 78 8.389 -10.772 -1.188 655 HD3 LYS 78 HD3 LYS 78 8.673 -12.423 -1.730 656 HE2 LYS 78 HE2 LYS 78 6.046 -11.372 -0.701 657 HE3 LYS 78 HE3 LYS 78 6.475 -11.507 -2.402 658 HZ1 LYS 78 HZ1 LYS 78 6.317 -13.780 -0.495 659 HZ2 LYS 78 HZ2 LYS 78 6.667 -13.889 -2.145 660 HZ3 LYS 78 HZ3 LYS 78 5.136 -13.376 -1.637 661 H TYR 79 H TYR 79 6.959 -9.340 3.223 662 HA TYR 79 HA TYR 79 5.880 -10.493 5.705 663 HB2 TYR 79 HB2 TYR 79 8.517 -9.048 5.395 664 HB3 TYR 79 HB3 TYR 79 7.744 -9.328 6.947 665 HD1 TYR 79 HD1 TYR 79 9.452 -10.920 4.106 666 HD2 TYR 79 HD2 TYR 79 7.784 -11.510 7.973 667 HE1 TYR 79 HE1 TYR 79 10.541 -13.120 4.235 668 HE2 TYR 79 HE2 TYR 79 8.872 -13.709 8.111 669 HH TYR 79 HH TYR 79 9.757 -15.419 6.641 670 H GLY 80 H GLY 80 7.324 -7.426 4.536 671 HA2 GLY 80 HA2 GLY 80 6.062 -5.523 3.959 672 HA3 GLY 80 HA3 GLY 80 4.697 -6.174 4.859 673 H SER 81 H SER 81 6.846 -6.651 7.096 674 HA SER 81 HA SER 81 6.074 -4.306 8.509 675 HB2 SER 81 HB2 SER 81 6.331 -6.493 9.619 676 HB3 SER 81 HB3 SER 81 8.067 -6.428 9.320 677 HG SER 81 HG SER 81 6.640 -4.452 10.782 678 H LEU 82 H LEU 82 9.370 -5.539 7.846 679 HA LEU 82 HA LEU 82 10.452 -2.937 8.490 680 HB2 LEU 82 HB2 LEU 82 11.397 -5.391 8.912 681 HB3 LEU 82 HB3 LEU 82 12.125 -5.121 7.344 682 HG LEU 82 HG LEU 82 12.557 -3.410 9.800 683 HD11 LEU 82 HD11 LEU 82 14.356 -5.388 8.410 684 HD12 LEU 82 HD12 LEU 82 13.599 -5.593 9.990 685 HD13 LEU 82 HD13 LEU 82 14.819 -4.342 9.752 686 HD21 LEU 82 HD21 LEU 82 12.720 -2.096 7.744 687 HD22 LEU 82 HD22 LEU 82 13.855 -3.271 7.080 688 HD23 LEU 82 HD23 LEU 82 14.303 -2.314 8.492 689 H GLY 83 H GLY 83 10.552 -5.104 5.667 690 HA2 GLY 83 HA2 GLY 83 12.195 -3.590 4.053 691 HA3 GLY 83 HA3 GLY 83 11.020 -4.745 3.461 692 H LEU 84 H LEU 84 8.705 -3.265 4.416 693 HA LEU 84 HA LEU 84 8.397 -1.682 2.064 694 HB2 LEU 84 HB2 LEU 84 6.609 -3.077 3.087 695 HB3 LEU 84 HB3 LEU 84 6.539 -1.950 4.425 696 HG LEU 84 HG LEU 84 5.806 -0.174 2.902 697 HD11 LEU 84 HD11 LEU 84 6.894 -0.893 0.861 698 HD12 LEU 84 HD12 LEU 84 5.158 -0.745 0.597 699 HD13 LEU 84 HD13 LEU 84 5.885 -2.338 0.803 700 HD21 LEU 84 HD21 LEU 84 4.177 -2.698 2.685 701 HD22 LEU 84 HD22 LEU 84 3.582 -1.054 2.447 702 HD23 LEU 84 HD23 LEU 84 4.152 -1.564 4.036 703 H TYR 85 H TYR 85 8.975 -1.001 5.440 704 HA TYR 85 HA TYR 85 8.455 1.820 5.158 705 HB2 TYR 85 HB2 TYR 85 8.101 1.614 7.353 706 HB3 TYR 85 HB3 TYR 85 8.653 -0.050 7.295 707 HD1 TYR 85 HD2 TYR 85 11.045 -0.570 7.791 708 HD2 TYR 85 HD1 TYR 85 9.423 3.328 8.332 709 HE1 TYR 85 HE2 TYR 85 12.934 0.009 9.254 710 HE2 TYR 85 HE1 TYR 85 11.307 3.913 9.797 711 HH TYR 85 HH TYR 85 14.116 2.045 10.025 712 H VAL 86 H VAL 86 11.268 -0.284 5.326 713 HA VAL 86 HA VAL 86 13.172 1.829 5.581 714 HB VAL 86 HB VAL 86 13.757 -0.313 6.451 715 HG11 VAL 86 HG11 VAL 86 12.341 -1.676 5.030 716 HG12 VAL 86 HG12 VAL 86 13.987 -2.294 5.084 717 HG13 VAL 86 HG13 VAL 86 13.432 -1.403 3.669 718 HG21 VAL 86 HG21 VAL 86 15.358 0.449 4.043 719 HG22 VAL 86 HG22 VAL 86 15.805 -0.925 5.057 720 HG23 VAL 86 HG23 VAL 86 15.730 0.702 5.751 721 H ALA 87 H ALA 87 11.614 0.262 2.898 722 HA ALA 87 HA ALA 87 13.547 0.588 0.895 723 HB1 ALA 87 HB1 ALA 87 11.337 -0.682 0.779 724 HB2 ALA 87 HB2 ALA 87 11.853 0.208 -0.655 725 HB3 ALA 87 HB3 ALA 87 10.610 0.891 0.402 726 H GLU 88 H GLU 88 11.087 2.720 2.141 727 HA GLU 88 HA GLU 88 11.446 4.566 -0.043 728 HB2 GLU 88 HB2 GLU 88 9.627 4.884 2.317 729 HB3 GLU 88 HB3 GLU 88 9.429 5.447 0.667 730 HG2 GLU 88 HG2 GLU 88 9.557 2.539 1.243 731 HG3 GLU 88 HG3 GLU 88 8.058 3.423 1.431 732 H GLN 89 H GLN 89 12.489 4.181 3.213 733 HA GLN 89 HA GLN 89 13.306 6.965 3.448 734 HB2 GLN 89 HB2 GLN 89 13.796 4.630 5.304 735 HB3 GLN 89 HB3 GLN 89 14.207 6.303 5.641 736 HG2 GLN 89 HG2 GLN 89 11.781 6.852 5.460 737 HG3 GLN 89 HG3 GLN 89 11.463 5.121 5.342 738 HE21 GLN 89 HE21 GLN 89 10.601 6.991 7.381 739 HE22 GLN 89 HE22 GLN 89 11.228 6.398 8.882 740 H PHE 90 H PHE 90 14.680 3.792 2.844 741 HA PHE 90 HA PHE 90 17.344 5.021 2.678 742 HB2 PHE 90 HB2 PHE 90 16.529 2.213 3.439 743 HB3 PHE 90 HB3 PHE 90 18.200 2.673 3.079 744 HD1 PHE 90 HD2 PHE 90 19.448 4.088 4.590 745 HD2 PHE 90 HD1 PHE 90 15.437 2.963 5.452 746 HE1 PHE 90 HE2 PHE 90 19.743 4.831 6.917 747 HE2 PHE 90 HE1 PHE 90 15.723 3.705 7.779 748 HZ PHE 90 HZ PHE 90 17.879 4.640 8.516 749 H GLY 91 H GLY 91 14.995 3.050 0.948 750 HA2 GLY 91 HA2 GLY 91 15.154 3.077 -1.482 751 HA3 GLY 91 HA3 GLY 91 16.904 2.997 -1.312 752 H GLU 92 H GLU 92 14.619 1.231 -2.471 753 HA GLU 92 HA GLU 92 14.513 -1.124 -0.937 754 HB2 GLU 92 HB2 GLU 92 14.157 -1.803 -3.666 755 HB3 GLU 92 HB3 GLU 92 12.941 -1.632 -2.408 756 HG2 GLU 92 HG2 GLU 92 12.260 -0.198 -4.097 757 HG3 GLU 92 HG3 GLU 92 13.016 0.832 -2.881 758 H GLU 93 H GLU 93 16.714 0.040 -3.327 759 HA GLU 93 HA GLU 93 18.142 -2.403 -3.716 760 HB2 GLU 93 HB2 GLU 93 19.841 -0.938 -4.771 761 HB3 GLU 93 HB3 GLU 93 18.219 -0.626 -5.379 762 HG2 GLU 93 HG2 GLU 93 18.090 1.262 -3.716 763 HG3 GLU 93 HG3 GLU 93 19.810 1.022 -3.438 764 H ASN 94 H ASN 94 18.149 0.066 -1.328 765 HA ASN 94 HA ASN 94 20.827 -0.551 -0.385 766 HB2 ASN 94 HB2 ASN 94 18.803 1.554 0.246 767 HB3 ASN 94 HB3 ASN 94 20.097 1.222 1.386 768 HD21 ASN 94 HD21 ASN 94 19.552 3.610 -0.189 769 HD22 ASN 94 HD22 ASN 94 20.978 3.895 -1.127 770 H VAL 95 H VAL 95 17.501 -0.923 0.592 771 HA VAL 95 HA VAL 95 17.513 -1.523 3.209 772 HB VAL 95 HB VAL 95 15.628 -2.942 2.960 773 HG11 VAL 95 HG11 VAL 95 15.182 -0.640 2.475 774 HG12 VAL 95 HG12 VAL 95 14.191 -1.664 1.438 775 HG13 VAL 95 HG13 VAL 95 15.627 -0.873 0.787 776 HG21 VAL 95 HG21 VAL 95 16.503 -4.508 1.319 777 HG22 VAL 95 HG22 VAL 95 16.374 -3.273 0.058 778 HG23 VAL 95 HG23 VAL 95 14.915 -3.904 0.829 779 H ASN 96 H ASN 96 18.832 -3.591 0.725 780 HA ASN 96 HA ASN 96 18.964 -6.037 2.013 781 HB2 ASN 96 HB2 ASN 96 19.526 -5.540 -0.376 782 HB3 ASN 96 HB3 ASN 96 21.061 -4.875 0.172 783 HD21 ASN 96 HD21 ASN 96 22.657 -6.252 0.913 784 HD22 ASN 96 HD22 ASN 96 22.593 -7.963 0.676 785 H THR 97 H THR 97 20.646 -3.132 2.705 786 HA THR 97 HA THR 97 22.877 -4.208 4.081 787 HB THR 97 HB THR 97 22.773 -1.879 3.262 788 HG1 THR 97 HG1 THR 97 23.058 -1.740 6.075 789 HG21 THR 97 HG21 THR 97 21.539 -0.180 4.550 790 HG22 THR 97 HG22 THR 97 20.790 -1.465 5.499 791 HG23 THR 97 HG23 THR 97 20.460 -1.340 3.768 792 H TYR 98 H TYR 98 19.621 -3.308 5.078 793 HA TYR 98 HA TYR 98 20.103 -4.008 7.851 794 HB2 TYR 98 HB2 TYR 98 17.683 -3.113 6.296 795 HB3 TYR 98 HB3 TYR 98 17.525 -3.744 7.937 796 HD1 TYR 98 HD1 TYR 98 18.936 -2.568 9.759 797 HD2 TYR 98 HD2 TYR 98 18.112 -0.854 5.953 798 HE1 TYR 98 HE1 TYR 98 19.387 -0.333 10.675 799 HE2 TYR 98 HE2 TYR 98 18.567 1.386 6.860 800 HH TYR 98 HH TYR 98 18.501 2.491 9.139 801 H PHE 99 H PHE 99 19.337 -5.547 4.976 802 HA PHE 99 HA PHE 99 17.991 -7.781 6.304 803 HB2 PHE 99 HB2 PHE 99 18.043 -6.815 3.449 804 HB3 PHE 99 HB3 PHE 99 17.469 -8.426 3.864 805 HD1 PHE 99 HD2 PHE 99 16.855 -4.849 4.157 806 HD2 PHE 99 HD1 PHE 99 15.395 -8.744 4.998 807 HE1 PHE 99 HE2 PHE 99 14.627 -3.906 4.662 808 HE2 PHE 99 HE1 PHE 99 13.176 -7.837 5.499 809 HZ PHE 99 HZ PHE 99 12.805 -5.385 5.388 810 H VAL 100 H VAL 100 18.464 -9.737 4.472 811 HA VAL 100 HA VAL 100 20.746 -10.959 5.332 812 HB VAL 100 HB VAL 100 19.045 -12.251 4.292 813 HG11 VAL 100 HG11 VAL 100 19.624 -10.721 1.762 814 HG12 VAL 100 HG12 VAL 100 18.150 -10.657 2.727 815 HG13 VAL 100 HG13 VAL 100 18.577 -12.137 1.866 816 HG21 VAL 100 HG21 VAL 100 21.279 -13.185 4.110 817 HG22 VAL 100 HG22 VAL 100 21.528 -12.342 2.583 818 HG23 VAL 100 HG23 VAL 100 20.315 -13.617 2.698 Start of MODEL 11 1 H1 MET -4 H1 MET -4 -18.980 -22.243 26.424 2 H2 MET -4 H2 MET -4 -18.482 -20.757 25.791 3 H3 MET -4 H3 MET -4 -17.334 -21.870 26.331 4 HA MET -4 HA MET -4 -17.853 -23.387 24.605 5 HB2 MET -4 HB2 MET -4 -20.025 -21.398 23.983 6 HB3 MET -4 HB3 MET -4 -19.448 -22.541 22.780 7 HG2 MET -4 HG2 MET -4 -21.435 -23.396 23.813 8 HG3 MET -4 HG3 MET -4 -20.060 -24.392 24.277 9 HE1 MET -4 HE1 MET -4 -22.736 -21.795 25.409 10 HE2 MET -4 HE2 MET -4 -21.260 -20.865 25.658 11 HE3 MET -4 HE3 MET -4 -22.215 -21.389 27.044 12 H ARG -3 H ARG -3 -16.221 -20.921 25.222 13 HA ARG -3 HA ARG -3 -15.473 -20.234 22.460 14 HB2 ARG -3 HB2 ARG -3 -14.900 -18.768 25.046 15 HB3 ARG -3 HB3 ARG -3 -14.293 -18.288 23.467 16 HG2 ARG -3 HG2 ARG -3 -17.196 -18.428 24.258 17 HG3 ARG -3 HG3 ARG -3 -16.224 -16.959 24.149 18 HD2 ARG -3 HD2 ARG -3 -15.881 -17.349 21.771 19 HD3 ARG -3 HD3 ARG -3 -16.808 -18.842 21.871 20 HE ARG -3 HE ARG -3 -18.368 -16.689 22.808 21 HH11 ARG -3 HH11 ARG -3 -17.070 -18.029 19.850 22 HH12 ARG -3 HH12 ARG -3 -18.330 -17.383 18.850 23 HH21 ARG -3 HH21 ARG -3 -20.035 -15.844 21.501 24 HH22 ARG -3 HH22 ARG -3 -20.017 -16.130 19.791 25 H SER -2 H SER -2 -13.228 -20.233 21.924 26 HA SER -2 HA SER -2 -11.699 -22.144 23.539 27 HB2 SER -2 HB2 SER -2 -12.132 -22.583 21.076 28 HB3 SER -2 HB3 SER -2 -11.094 -21.202 20.728 29 HG SER -2 HG SER -2 -10.361 -23.685 21.157 30 HA PRO -1 HA PRO -1 -9.629 -18.406 25.082 31 HB2 PRO -1 HB2 PRO -1 -7.942 -20.575 26.237 32 HB3 PRO -1 HB3 PRO -1 -8.632 -19.148 27.020 33 HG2 PRO -1 HG2 PRO -1 -9.704 -21.550 27.409 34 HG3 PRO -1 HG3 PRO -1 -10.731 -20.115 27.231 35 HD2 PRO -1 HD2 PRO -1 -10.163 -22.295 25.276 36 HD3 PRO -1 HD3 PRO -1 -11.663 -21.385 25.551 37 H GLY 0 H GLY 0 -8.145 -17.312 23.985 38 HA2 GLY 0 HA2 GLY 0 -5.919 -17.057 23.126 39 HA3 GLY 0 HA3 GLY 0 -5.907 -18.777 22.758 40 H MET 1 H MET 1 -8.881 -17.549 21.969 41 HA MET 1 HA MET 1 -8.555 -17.906 19.211 42 HB2 MET 1 HB2 MET 1 -10.793 -16.998 18.966 43 HB3 MET 1 HB3 MET 1 -10.735 -18.090 20.339 44 HG2 MET 1 HG2 MET 1 -10.598 -15.091 20.554 45 HG3 MET 1 HG3 MET 1 -12.079 -16.033 20.696 46 HE1 MET 1 HE1 MET 1 -11.550 -14.971 24.392 47 HE2 MET 1 HE2 MET 1 -12.702 -15.117 23.065 48 HE3 MET 1 HE3 MET 1 -11.329 -14.020 22.923 49 H ALA 2 H ALA 2 -8.353 -16.492 17.516 50 HA ALA 2 HA ALA 2 -6.877 -14.097 18.163 51 HB1 ALA 2 HB1 ALA 2 -7.538 -15.304 15.480 52 HB2 ALA 2 HB2 ALA 2 -6.071 -15.600 16.415 53 HB3 ALA 2 HB3 ALA 2 -6.400 -13.991 15.775 54 H ASP 3 H ASP 3 -8.158 -12.484 18.820 55 HA ASP 3 HA ASP 3 -10.515 -11.757 17.257 56 HB2 ASP 3 HB2 ASP 3 -10.748 -11.768 19.694 57 HB3 ASP 3 HB3 ASP 3 -9.401 -10.646 19.845 58 H GLN 4 H GLN 4 -10.621 -9.919 16.030 59 HA GLN 4 HA GLN 4 -8.200 -8.835 15.056 60 HB2 GLN 4 HB2 GLN 4 -9.687 -7.257 13.815 61 HB3 GLN 4 HB3 GLN 4 -10.095 -8.953 13.593 62 HG2 GLN 4 HG2 GLN 4 -11.909 -8.748 15.184 63 HG3 GLN 4 HG3 GLN 4 -11.480 -7.065 15.480 64 HE21 GLN 4 HE21 GLN 4 -13.968 -8.235 14.494 65 HE22 GLN 4 HE22 GLN 4 -14.276 -7.478 12.971 66 H ARG 5 H ARG 5 -6.930 -7.528 16.176 67 HA ARG 5 HA ARG 5 -8.032 -5.809 18.238 68 HB2 ARG 5 HB2 ARG 5 -5.154 -5.930 17.356 69 HB3 ARG 5 HB3 ARG 5 -5.788 -5.399 18.906 70 HG2 ARG 5 HG2 ARG 5 -5.654 -8.205 17.841 71 HG3 ARG 5 HG3 ARG 5 -4.785 -7.526 19.216 72 HD2 ARG 5 HD2 ARG 5 -6.954 -7.183 20.358 73 HD3 ARG 5 HD3 ARG 5 -7.758 -7.975 18.998 74 HE ARG 5 HE ARG 5 -5.812 -9.731 19.874 75 HH11 ARG 5 HH11 ARG 5 -8.646 -8.200 21.233 76 HH12 ARG 5 HH12 ARG 5 -9.000 -9.512 22.312 77 HH21 ARG 5 HH21 ARG 5 -6.268 -11.468 21.297 78 HH22 ARG 5 HH22 ARG 5 -7.645 -11.371 22.348 79 H GLN 6 H GLN 6 -6.160 -5.461 15.272 80 HA GLN 6 HA GLN 6 -6.571 -2.573 15.324 81 HB2 GLN 6 HB2 GLN 6 -4.720 -4.314 13.701 82 HB3 GLN 6 HB3 GLN 6 -4.849 -2.578 13.502 83 HG2 GLN 6 HG2 GLN 6 -4.179 -2.314 15.874 84 HG3 GLN 6 HG3 GLN 6 -3.921 -4.057 15.946 85 HE21 GLN 6 HE21 GLN 6 -2.188 -4.961 14.849 86 HE22 GLN 6 HE22 GLN 6 -0.878 -4.007 14.247 87 H ARG 7 H ARG 7 -7.384 -1.462 13.528 88 HA ARG 7 HA ARG 7 -9.408 -2.790 12.040 89 HB2 ARG 7 HB2 ARG 7 -9.898 -0.573 12.549 90 HB3 ARG 7 HB3 ARG 7 -8.267 -0.024 12.200 91 HG2 ARG 7 HG2 ARG 7 -9.738 0.820 10.532 92 HG3 ARG 7 HG3 ARG 7 -8.692 -0.407 9.811 93 HD2 ARG 7 HD2 ARG 7 -10.510 -2.058 10.049 94 HD3 ARG 7 HD3 ARG 7 -11.553 -0.798 10.703 95 HE ARG 7 HE ARG 7 -10.935 0.282 8.372 96 HH11 ARG 7 HH11 ARG 7 -11.770 -3.032 9.106 97 HH12 ARG 7 HH12 ARG 7 -12.502 -3.325 7.563 98 HH21 ARG 7 HH21 ARG 7 -11.927 -0.088 6.343 99 HH22 ARG 7 HH22 ARG 7 -12.611 -1.645 5.997 100 H SER 8 H SER 8 -6.132 -1.734 11.446 101 HA SER 8 HA SER 8 -6.231 -1.937 8.625 102 HB2 SER 8 HB2 SER 8 -4.648 -0.528 9.871 103 HB3 SER 8 HB3 SER 8 -3.827 -1.977 10.446 104 HG SER 8 HG SER 8 -3.866 -0.819 7.899 105 H LEU 9 H LEU 9 -5.857 -4.284 11.131 106 HA LEU 9 HA LEU 9 -4.695 -6.221 9.294 107 HB2 LEU 9 HB2 LEU 9 -4.530 -7.732 11.174 108 HB3 LEU 9 HB3 LEU 9 -3.853 -6.173 11.592 109 HG LEU 9 HG LEU 9 -6.072 -5.701 12.779 110 HD11 LEU 9 HD11 LEU 9 -7.309 -7.649 13.555 111 HD12 LEU 9 HD12 LEU 9 -6.314 -8.696 12.543 112 HD13 LEU 9 HD13 LEU 9 -7.388 -7.510 11.798 113 HD21 LEU 9 HD21 LEU 9 -5.342 -6.913 14.781 114 HD22 LEU 9 HD22 LEU 9 -3.990 -6.142 13.950 115 HD23 LEU 9 HD23 LEU 9 -4.249 -7.879 13.789 116 H SER 10 H SER 10 -7.678 -5.035 9.941 117 HA SER 10 HA SER 10 -9.171 -7.504 9.773 118 HB2 SER 10 HB2 SER 10 -9.890 -5.466 11.107 119 HB3 SER 10 HB3 SER 10 -10.238 -4.696 9.565 120 HG SER 10 HG SER 10 -11.708 -6.477 10.965 121 H THR 11 H THR 11 -7.426 -5.899 7.622 122 HA THR 11 HA THR 11 -9.213 -5.792 5.375 123 HB THR 11 HB THR 11 -7.028 -5.493 4.096 124 HG1 THR 11 HG1 THR 11 -5.580 -4.813 6.278 125 HG21 THR 11 HG21 THR 11 -7.604 -3.606 6.385 126 HG22 THR 11 HG22 THR 11 -8.377 -3.582 4.800 127 HG23 THR 11 HG23 THR 11 -6.659 -3.214 4.949 128 H SER 12 H SER 12 -8.447 -7.018 3.327 129 HA SER 12 HA SER 12 -8.646 -9.818 3.940 130 HB2 SER 12 HB2 SER 12 -9.893 -8.762 2.078 131 HB3 SER 12 HB3 SER 12 -8.370 -8.443 1.257 132 HG SER 12 HG SER 12 -8.368 -11.003 1.877 133 H GLY 13 H GLY 13 -6.078 -7.906 4.058 134 HA2 GLY 13 HA2 GLY 13 -3.932 -9.033 4.458 135 HA3 GLY 13 HA3 GLY 13 -4.260 -9.991 3.019 136 H GLU 14 H GLU 14 -5.408 -7.380 1.890 137 HA GLU 14 HA GLU 14 -2.850 -6.379 0.885 138 HB2 GLU 14 HB2 GLU 14 -4.089 -5.531 -0.999 139 HB3 GLU 14 HB3 GLU 14 -4.557 -7.204 -0.736 140 HG2 GLU 14 HG2 GLU 14 -6.495 -6.182 0.634 141 HG3 GLU 14 HG3 GLU 14 -6.105 -4.706 -0.248 142 H SER 15 H SER 15 -2.354 -4.194 0.942 143 HA SER 15 HA SER 15 -4.036 -2.601 2.755 144 HB2 SER 15 HB2 SER 15 -1.809 -1.536 3.453 145 HB3 SER 15 HB3 SER 15 -2.124 -3.178 4.015 146 HG SER 15 HG SER 15 -0.024 -3.009 3.168 147 H LEU 16 H LEU 16 -1.313 -2.111 0.488 148 HA LEU 16 HA LEU 16 -1.850 0.568 -0.070 149 HB2 LEU 16 HB2 LEU 16 -0.473 -1.547 -1.701 150 HB3 LEU 16 HB3 LEU 16 -0.565 0.120 -2.214 151 HG LEU 16 HG LEU 16 1.575 -0.290 -1.265 152 HD11 LEU 16 HD11 LEU 16 0.666 1.908 -0.813 153 HD12 LEU 16 HD12 LEU 16 1.656 1.367 0.539 154 HD13 LEU 16 HD13 LEU 16 -0.103 1.309 0.658 155 HD21 LEU 16 HD21 LEU 16 0.195 -1.177 1.251 156 HD22 LEU 16 HD22 LEU 16 1.935 -1.039 1.001 157 HD23 LEU 16 HD23 LEU 16 1.006 -2.232 0.096 158 H TYR 17 H TYR 17 -2.712 -2.316 -1.931 159 HA TYR 17 HA TYR 17 -4.193 -1.200 -3.973 160 HB2 TYR 17 HB2 TYR 17 -4.868 -3.732 -2.451 161 HB3 TYR 17 HB3 TYR 17 -5.480 -3.303 -4.041 162 HD1 TYR 17 HD2 TYR 17 -3.940 -3.273 -5.985 163 HD2 TYR 17 HD1 TYR 17 -2.710 -4.706 -2.177 164 HE1 TYR 17 HE2 TYR 17 -2.013 -4.386 -7.032 165 HE2 TYR 17 HE1 TYR 17 -0.777 -5.824 -3.210 166 HH TYR 17 HH TYR 17 0.156 -5.236 -6.472 167 H HIS 18 H HIS 18 -5.136 -1.820 -0.656 168 HA HIS 18 HA HIS 18 -7.909 -1.386 -0.953 169 HB2 HIS 18 HB2 HIS 18 -6.831 -2.626 0.923 170 HB3 HIS 18 HB3 HIS 18 -6.219 -1.098 1.540 171 HD1 HIS 18 HD1 HIS 18 -7.620 -0.096 3.304 172 HD2 HIS 18 HD2 HIS 18 -9.825 -2.547 0.771 173 HE1 HIS 18 HE1 HIS 18 -9.945 -0.137 4.260 174 HE2 HIS 18 HE2 HIS 18 -11.298 -1.499 2.623 175 H VAL 19 H VAL 19 -5.219 0.759 -0.149 176 HA VAL 19 HA VAL 19 -6.876 3.006 0.513 177 HB VAL 19 HB VAL 19 -4.987 4.050 1.127 178 HG11 VAL 19 HG11 VAL 19 -4.454 1.935 2.050 179 HG12 VAL 19 HG12 VAL 19 -2.956 2.580 1.374 180 HG13 VAL 19 HG13 VAL 19 -3.851 1.337 0.508 181 HG21 VAL 19 HG21 VAL 19 -3.770 3.223 -1.507 182 HG22 VAL 19 HG22 VAL 19 -2.919 4.177 -0.292 183 HG23 VAL 19 HG23 VAL 19 -4.377 4.818 -1.048 184 H LEU 20 H LEU 20 -5.457 1.713 -2.374 185 HA LEU 20 HA LEU 20 -5.766 4.165 -3.871 186 HB2 LEU 20 HB2 LEU 20 -3.923 2.326 -4.036 187 HB3 LEU 20 HB3 LEU 20 -5.076 1.518 -5.072 188 HG LEU 20 HG LEU 20 -4.890 3.102 -6.745 189 HD11 LEU 20 HD11 LEU 20 -5.266 5.138 -5.694 190 HD12 LEU 20 HD12 LEU 20 -3.615 5.273 -6.298 191 HD13 LEU 20 HD13 LEU 20 -3.904 4.927 -4.592 192 HD21 LEU 20 HD21 LEU 20 -2.179 2.985 -5.435 193 HD22 LEU 20 HD22 LEU 20 -2.486 3.449 -7.107 194 HD23 LEU 20 HD23 LEU 20 -2.844 1.806 -6.567 195 H GLY 21 H GLY 21 -7.588 1.377 -3.190 196 HA2 GLY 21 HA2 GLY 21 -9.870 1.148 -3.536 197 HA3 GLY 21 HA3 GLY 21 -9.813 2.507 -4.644 198 H LEU 22 H LEU 22 -7.444 0.270 -5.431 199 HA LEU 22 HA LEU 22 -9.202 -0.945 -7.440 200 HB2 LEU 22 HB2 LEU 22 -6.946 -1.511 -8.560 201 HB3 LEU 22 HB3 LEU 22 -7.581 0.110 -8.692 202 HG LEU 22 HG LEU 22 -6.056 0.707 -6.735 203 HD11 LEU 22 HD11 LEU 22 -4.814 -1.926 -7.507 204 HD12 LEU 22 HD12 LEU 22 -5.538 -1.526 -5.948 205 HD13 LEU 22 HD13 LEU 22 -4.069 -0.703 -6.478 206 HD21 LEU 22 HD21 LEU 22 -5.614 1.425 -8.982 207 HD22 LEU 22 HD22 LEU 22 -4.896 -0.139 -9.380 208 HD23 LEU 22 HD23 LEU 22 -4.113 0.923 -8.208 209 H ASP 23 H ASP 23 -8.562 -3.150 -8.126 210 HA ASP 23 HA ASP 23 -8.341 -4.815 -5.773 211 HB2 ASP 23 HB2 ASP 23 -8.624 -5.595 -8.683 212 HB3 ASP 23 HB3 ASP 23 -8.809 -6.668 -7.302 213 H LYS 24 H LYS 24 -6.968 -6.905 -6.182 214 HA LYS 24 HA LYS 24 -4.258 -5.928 -6.272 215 HB2 LYS 24 HB2 LYS 24 -3.686 -8.153 -5.416 216 HB3 LYS 24 HB3 LYS 24 -4.979 -7.424 -4.474 217 HG2 LYS 24 HG2 LYS 24 -6.179 -8.920 -6.551 218 HG3 LYS 24 HG3 LYS 24 -4.941 -9.925 -5.814 219 HD2 LYS 24 HD2 LYS 24 -6.883 -10.370 -4.573 220 HD3 LYS 24 HD3 LYS 24 -5.964 -9.244 -3.572 221 HE2 LYS 24 HE2 LYS 24 -7.328 -7.394 -4.410 222 HE3 LYS 24 HE3 LYS 24 -8.244 -8.522 -5.407 223 HZ1 LYS 24 HZ1 LYS 24 -9.512 -8.152 -3.485 224 HZ2 LYS 24 HZ2 LYS 24 -8.179 -8.330 -2.454 225 HZ3 LYS 24 HZ3 LYS 24 -8.813 -9.678 -3.262 226 H ASN 25 H ASN 25 -6.135 -6.503 -8.668 227 HA ASN 25 HA ASN 25 -4.206 -8.101 -10.209 228 HB2 ASN 25 HB2 ASN 25 -7.189 -7.796 -10.582 229 HB3 ASN 25 HB3 ASN 25 -6.134 -8.544 -11.774 230 HD21 ASN 25 HD21 ASN 25 -7.858 -8.958 -8.854 231 HD22 ASN 25 HD22 ASN 25 -7.395 -10.597 -8.556 232 H ALA 26 H ALA 26 -4.821 -5.096 -9.533 233 HA ALA 26 HA ALA 26 -5.262 -3.852 -12.049 234 HB1 ALA 26 HB1 ALA 26 -5.674 -2.614 -10.002 235 HB2 ALA 26 HB2 ALA 26 -4.433 -1.795 -10.970 236 HB3 ALA 26 HB3 ALA 26 -3.970 -2.752 -9.555 237 H THR 27 H THR 27 -3.797 -2.813 -13.378 238 HA THR 27 HA THR 27 -1.094 -3.936 -13.302 239 HB THR 27 HB THR 27 -2.404 -4.271 -15.394 240 HG1 THR 27 HG1 THR 27 -0.732 -3.365 -16.804 241 HG21 THR 27 HG21 THR 27 -3.713 -2.215 -15.344 242 HG22 THR 27 HG22 THR 27 -2.829 -2.352 -16.863 243 HG23 THR 27 HG23 THR 27 -2.251 -1.264 -15.602 244 H SER 28 H SER 28 0.589 -2.301 -14.249 245 HA SER 28 HA SER 28 1.025 -0.302 -12.415 246 HB2 SER 28 HB2 SER 28 2.667 -1.211 -14.112 247 HB3 SER 28 HB3 SER 28 1.914 -0.148 -15.298 248 HG SER 28 HG SER 28 3.526 0.466 -13.092 249 H ASP 29 H ASP 29 -0.629 -0.105 -15.497 250 HA ASP 29 HA ASP 29 -1.016 2.621 -15.700 251 HB2 ASP 29 HB2 ASP 29 -2.858 0.394 -16.581 252 HB3 ASP 29 HB3 ASP 29 -3.018 2.074 -17.076 253 H ASP 30 H ASP 30 -3.140 0.249 -13.986 254 HA ASP 30 HA ASP 30 -5.080 2.323 -13.508 255 HB2 ASP 30 HB2 ASP 30 -5.596 -0.161 -13.785 256 HB3 ASP 30 HB3 ASP 30 -4.996 -0.360 -12.138 257 H ILE 31 H ILE 31 -2.463 0.801 -11.789 258 HA ILE 31 HA ILE 31 -2.932 1.842 -9.224 259 HB ILE 31 HB ILE 31 -0.371 1.088 -10.631 260 HG12 ILE 31 HG12 ILE 31 -1.689 -0.467 -8.444 261 HG13 ILE 31 HG13 ILE 31 -2.360 -0.549 -10.068 262 HG21 ILE 31 HG21 ILE 31 0.656 0.970 -8.407 263 HG22 ILE 31 HG22 ILE 31 -0.818 1.627 -7.696 264 HG23 ILE 31 HG23 ILE 31 0.141 2.610 -8.805 265 HD11 ILE 31 HD11 ILE 31 0.473 -1.222 -9.319 266 HD12 ILE 31 HD12 ILE 31 -0.256 -1.361 -10.922 267 HD13 ILE 31 HD13 ILE 31 -0.826 -2.383 -9.600 268 H LYS 32 H LYS 32 -1.363 3.193 -12.064 269 HA LYS 32 HA LYS 32 -0.476 5.592 -10.810 270 HB2 LYS 32 HB2 LYS 32 -1.067 5.168 -13.739 271 HB3 LYS 32 HB3 LYS 32 -0.055 6.413 -13.034 272 HG2 LYS 32 HG2 LYS 32 0.520 3.469 -12.951 273 HG3 LYS 32 HG3 LYS 32 1.233 4.627 -14.078 274 HD2 LYS 32 HD2 LYS 32 2.315 5.795 -12.302 275 HD3 LYS 32 HD3 LYS 32 1.448 4.853 -11.085 276 HE2 LYS 32 HE2 LYS 32 3.670 3.994 -11.284 277 HE3 LYS 32 HE3 LYS 32 2.531 2.825 -11.949 278 HZ1 LYS 32 HZ1 LYS 32 4.510 3.090 -13.336 279 HZ2 LYS 32 HZ2 LYS 32 4.146 4.725 -13.557 280 HZ3 LYS 32 HZ3 LYS 32 3.104 3.539 -14.163 281 H LYS 33 H LYS 33 -3.296 4.818 -12.844 282 HA LYS 33 HA LYS 33 -4.408 7.390 -12.910 283 HB2 LYS 33 HB2 LYS 33 -5.944 4.791 -12.946 284 HB3 LYS 33 HB3 LYS 33 -6.445 6.329 -13.631 285 HG2 LYS 33 HG2 LYS 33 -4.633 6.193 -15.256 286 HG3 LYS 33 HG3 LYS 33 -4.134 4.651 -14.567 287 HD2 LYS 33 HD2 LYS 33 -6.367 3.732 -15.111 288 HD3 LYS 33 HD3 LYS 33 -6.766 5.256 -15.907 289 HE2 LYS 33 HE2 LYS 33 -4.485 3.433 -16.654 290 HE3 LYS 33 HE3 LYS 33 -6.026 3.537 -17.502 291 HZ1 LYS 33 HZ1 LYS 33 -5.551 5.828 -18.042 292 HZ2 LYS 33 HZ2 LYS 33 -4.288 4.840 -18.581 293 HZ3 LYS 33 HZ3 LYS 33 -4.096 5.769 -17.182 294 H SER 34 H SER 34 -5.269 4.635 -10.821 295 HA SER 34 HA SER 34 -7.121 5.956 -9.221 296 HB2 SER 34 HB2 SER 34 -5.293 3.691 -8.406 297 HB3 SER 34 HB3 SER 34 -6.818 4.139 -7.640 298 HG SER 34 HG SER 34 -6.361 2.680 -9.917 299 H TYR 35 H TYR 35 -3.610 5.871 -9.043 300 HA TYR 35 HA TYR 35 -3.289 7.131 -6.576 301 HB2 TYR 35 HB2 TYR 35 -1.304 6.342 -7.597 302 HB3 TYR 35 HB3 TYR 35 -1.619 7.227 -9.093 303 HD1 TYR 35 HD1 TYR 35 -1.278 8.029 -5.447 304 HD2 TYR 35 HD2 TYR 35 -0.249 9.067 -9.442 305 HE1 TYR 35 HE1 TYR 35 0.113 9.869 -4.606 306 HE2 TYR 35 HE2 TYR 35 1.143 10.901 -8.615 307 HH TYR 35 HH TYR 35 1.995 11.214 -5.322 308 H ARG 36 H ARG 36 -3.429 8.623 -9.803 309 HA ARG 36 HA ARG 36 -3.325 11.278 -8.993 310 HB2 ARG 36 HB2 ARG 36 -4.883 10.159 -11.332 311 HB3 ARG 36 HB3 ARG 36 -4.335 11.820 -11.150 312 HG2 ARG 36 HG2 ARG 36 -2.510 9.437 -11.327 313 HG3 ARG 36 HG3 ARG 36 -2.956 10.461 -12.691 314 HD2 ARG 36 HD2 ARG 36 -1.974 12.396 -11.543 315 HD3 ARG 36 HD3 ARG 36 -1.526 11.361 -10.188 316 HE ARG 36 HE ARG 36 -0.488 10.433 -12.688 317 HH11 ARG 36 HH11 ARG 36 0.075 12.663 -10.046 318 HH12 ARG 36 HH12 ARG 36 1.788 12.728 -10.300 319 HH21 ARG 36 HH21 ARG 36 1.767 10.500 -13.011 320 HH22 ARG 36 HH22 ARG 36 2.753 11.486 -11.981 321 H LYS 37 H LYS 37 -6.179 9.335 -9.710 322 HA LYS 37 HA LYS 37 -8.204 11.118 -9.307 323 HB2 LYS 37 HB2 LYS 37 -8.060 8.188 -8.625 324 HB3 LYS 37 HB3 LYS 37 -9.554 9.114 -8.609 325 HG2 LYS 37 HG2 LYS 37 -9.616 9.313 -10.885 326 HG3 LYS 37 HG3 LYS 37 -7.873 9.095 -11.071 327 HD2 LYS 37 HD2 LYS 37 -9.266 7.166 -11.847 328 HD3 LYS 37 HD3 LYS 37 -8.072 6.747 -10.615 329 HE2 LYS 37 HE2 LYS 37 -10.043 5.678 -9.919 330 HE3 LYS 37 HE3 LYS 37 -9.933 7.139 -8.934 331 HZ1 LYS 37 HZ1 LYS 37 -11.595 6.857 -11.376 332 HZ2 LYS 37 HZ2 LYS 37 -11.515 8.217 -10.378 333 HZ3 LYS 37 HZ3 LYS 37 -12.176 6.777 -9.789 334 H LEU 38 H LEU 38 -6.577 9.186 -6.831 335 HA LEU 38 HA LEU 38 -8.232 10.323 -4.722 336 HB2 LEU 38 HB2 LEU 38 -5.888 8.423 -4.664 337 HB3 LEU 38 HB3 LEU 38 -6.845 8.882 -3.271 338 HG LEU 38 HG LEU 38 -7.938 7.436 -5.683 339 HD11 LEU 38 HD11 LEU 38 -6.284 6.101 -4.430 340 HD12 LEU 38 HD12 LEU 38 -7.914 5.441 -4.328 341 HD13 LEU 38 HD13 LEU 38 -7.238 6.337 -2.967 342 HD21 LEU 38 HD21 LEU 38 -9.856 7.002 -4.203 343 HD22 LEU 38 HD22 LEU 38 -9.627 8.721 -4.518 344 HD23 LEU 38 HD23 LEU 38 -9.123 8.032 -2.974 345 H ALA 39 H ALA 39 -4.998 10.607 -6.003 346 HA ALA 39 HA ALA 39 -3.608 11.802 -3.950 347 HB1 ALA 39 HB1 ALA 39 -2.637 11.001 -6.065 348 HB2 ALA 39 HB2 ALA 39 -2.055 12.598 -5.586 349 HB3 ALA 39 HB3 ALA 39 -3.263 12.443 -6.863 350 H LEU 40 H LEU 40 -5.347 13.585 -6.550 351 HA LEU 40 HA LEU 40 -4.764 16.061 -5.214 352 HB2 LEU 40 HB2 LEU 40 -6.645 16.969 -6.810 353 HB3 LEU 40 HB3 LEU 40 -5.023 16.668 -7.372 354 HG LEU 40 HG LEU 40 -6.920 16.009 -8.896 355 HD11 LEU 40 HD11 LEU 40 -5.804 13.911 -9.590 356 HD12 LEU 40 HD12 LEU 40 -4.841 14.005 -8.117 357 HD13 LEU 40 HD13 LEU 40 -4.712 15.274 -9.335 358 HD21 LEU 40 HD21 LEU 40 -7.166 13.608 -7.117 359 HD22 LEU 40 HD22 LEU 40 -8.062 13.954 -8.595 360 HD23 LEU 40 HD23 LEU 40 -8.328 14.933 -7.152 361 H LYS 41 H LYS 41 -7.431 13.901 -5.427 362 HA LYS 41 HA LYS 41 -9.434 15.224 -4.081 363 HB2 LYS 41 HB2 LYS 41 -9.771 13.103 -5.136 364 HB3 LYS 41 HB3 LYS 41 -8.573 12.337 -4.112 365 HG2 LYS 41 HG2 LYS 41 -10.117 12.800 -2.175 366 HG3 LYS 41 HG3 LYS 41 -11.338 13.237 -3.379 367 HD2 LYS 41 HD2 LYS 41 -11.011 11.034 -4.448 368 HD3 LYS 41 HD3 LYS 41 -9.884 10.605 -3.164 369 HE2 LYS 41 HE2 LYS 41 -11.989 9.643 -2.654 370 HE3 LYS 41 HE3 LYS 41 -11.711 10.968 -1.526 371 HZ1 LYS 41 HZ1 LYS 41 -13.165 12.364 -2.825 372 HZ2 LYS 41 HZ2 LYS 41 -13.981 10.947 -2.393 373 HZ3 LYS 41 HZ3 LYS 41 -13.394 11.134 -3.966 374 H TYR 42 H TYR 42 -6.571 13.637 -2.793 375 HA TYR 42 HA TYR 42 -7.286 14.679 -0.135 376 HB2 TYR 42 HB2 TYR 42 -5.739 12.213 -0.915 377 HB3 TYR 42 HB3 TYR 42 -5.658 12.899 0.707 378 HD1 TYR 42 HD2 TYR 42 -7.872 13.193 1.957 379 HD2 TYR 42 HD1 TYR 42 -7.453 10.708 -1.468 380 HE1 TYR 42 HE2 TYR 42 -9.892 11.967 2.610 381 HE2 TYR 42 HE1 TYR 42 -9.478 9.471 -0.815 382 HH TYR 42 HH TYR 42 -11.608 10.596 1.614 383 H HIS 43 H HIS 43 -5.876 16.083 -2.340 384 HA HIS 43 HA HIS 43 -3.104 16.156 -1.798 385 HB2 HIS 43 HB2 HIS 43 -4.601 17.163 -3.778 386 HB3 HIS 43 HB3 HIS 43 -4.486 18.607 -2.783 387 HD1 HIS 43 HD1 HIS 43 -2.631 20.058 -3.499 388 HD2 HIS 43 HD2 HIS 43 -1.759 16.046 -4.113 389 HE1 HIS 43 HE1 HIS 43 -0.323 20.016 -4.475 390 HE2 HIS 43 HE2 HIS 43 0.270 17.576 -4.593 391 HA PRO 44 HA PRO 44 -2.536 17.983 2.120 392 HB2 PRO 44 HB2 PRO 44 -1.127 20.308 1.210 393 HB3 PRO 44 HB3 PRO 44 -0.475 18.850 1.951 394 HG2 PRO 44 HG2 PRO 44 -0.685 19.589 -0.894 395 HG3 PRO 44 HG3 PRO 44 0.446 18.480 -0.096 396 HD2 PRO 44 HD2 PRO 44 -1.528 17.581 -1.650 397 HD3 PRO 44 HD3 PRO 44 -1.054 16.703 -0.184 398 H ASP 45 H ASP 45 -3.574 20.335 -0.352 399 HA ASP 45 HA ASP 45 -4.450 22.196 1.652 400 HB2 ASP 45 HB2 ASP 45 -3.541 22.987 -0.480 401 HB3 ASP 45 HB3 ASP 45 -4.858 22.204 -1.342 402 H LYS 46 H LYS 46 -5.813 19.504 0.167 403 HA LYS 46 HA LYS 46 -8.585 20.281 0.312 404 HB2 LYS 46 HB2 LYS 46 -7.440 17.489 0.258 405 HB3 LYS 46 HB3 LYS 46 -9.006 18.008 -0.310 406 HG2 LYS 46 HG2 LYS 46 -6.630 19.206 -1.589 407 HG3 LYS 46 HG3 LYS 46 -6.982 17.523 -1.932 408 HD2 LYS 46 HD2 LYS 46 -8.993 19.733 -2.272 409 HD3 LYS 46 HD3 LYS 46 -7.904 19.175 -3.542 410 HE2 LYS 46 HE2 LYS 46 -8.924 17.141 -3.745 411 HE3 LYS 46 HE3 LYS 46 -9.618 17.191 -2.138 412 HZ1 LYS 46 HZ1 LYS 46 -11.173 18.876 -2.902 413 HZ2 LYS 46 HZ2 LYS 46 -11.287 17.495 -3.871 414 HZ3 LYS 46 HZ3 LYS 46 -10.468 18.862 -4.441 415 H ASN 47 H ASN 47 -6.391 19.846 2.680 416 HA ASN 47 HA ASN 47 -7.883 17.862 4.224 417 HB2 ASN 47 HB2 ASN 47 -5.066 18.885 4.584 418 HB3 ASN 47 HB3 ASN 47 -5.826 17.649 5.567 419 HD21 ASN 47 HD21 ASN 47 -5.996 18.068 2.066 420 HD22 ASN 47 HD22 ASN 47 -5.282 16.542 1.697 421 HA PRO 48 HA PRO 48 -8.710 21.007 7.338 422 HB2 PRO 48 HB2 PRO 48 -9.978 19.111 8.979 423 HB3 PRO 48 HB3 PRO 48 -10.762 20.215 7.855 424 HG2 PRO 48 HG2 PRO 48 -10.674 17.426 7.637 425 HG3 PRO 48 HG3 PRO 48 -11.143 18.561 6.361 426 HD2 PRO 48 HD2 PRO 48 -8.551 17.158 6.793 427 HD3 PRO 48 HD3 PRO 48 -9.348 17.637 5.280 428 H ASP 49 H ASP 49 -8.840 20.390 9.976 429 HA ASP 49 HA ASP 49 -6.120 20.397 10.680 430 HB2 ASP 49 HB2 ASP 49 -7.991 21.463 11.919 431 HB3 ASP 49 HB3 ASP 49 -8.492 19.865 12.467 432 H ASN 50 H ASN 50 -8.525 17.859 10.613 433 HA ASN 50 HA ASN 50 -7.030 15.914 12.027 434 HB2 ASN 50 HB2 ASN 50 -8.637 14.304 10.840 435 HB3 ASN 50 HB3 ASN 50 -9.343 15.491 11.923 436 HD21 ASN 50 HD21 ASN 50 -9.025 14.419 8.672 437 HD22 ASN 50 HD22 ASN 50 -10.194 15.476 7.975 438 HA PRO 51 HA PRO 51 -4.137 14.972 8.763 439 HB2 PRO 51 HB2 PRO 51 -2.751 13.088 10.111 440 HB3 PRO 51 HB3 PRO 51 -2.585 14.813 10.456 441 HG2 PRO 51 HG2 PRO 51 -4.170 12.734 11.906 442 HG3 PRO 51 HG3 PRO 51 -3.177 14.045 12.565 443 HD2 PRO 51 HD2 PRO 51 -5.897 14.159 12.370 444 HD3 PRO 51 HD3 PRO 51 -4.852 15.592 12.329 445 H GLU 52 H GLU 52 -6.820 13.486 9.281 446 HA GLU 52 HA GLU 52 -6.465 10.749 8.708 447 HB2 GLU 52 HB2 GLU 52 -8.553 11.716 9.608 448 HB3 GLU 52 HB3 GLU 52 -8.780 12.596 8.098 449 HG2 GLU 52 HG2 GLU 52 -9.025 10.512 6.897 450 HG3 GLU 52 HG3 GLU 52 -8.753 9.599 8.378 451 H ALA 53 H ALA 53 -7.136 13.563 6.740 452 HA ALA 53 HA ALA 53 -7.209 12.180 4.263 453 HB1 ALA 53 HB1 ALA 53 -7.318 14.418 3.307 454 HB2 ALA 53 HB2 ALA 53 -6.884 15.107 4.873 455 HB3 ALA 53 HB3 ALA 53 -8.413 14.251 4.684 456 H ALA 54 H ALA 54 -4.736 13.694 6.178 457 HA ALA 54 HA ALA 54 -2.731 13.831 4.171 458 HB1 ALA 54 HB1 ALA 54 -1.174 14.132 6.019 459 HB2 ALA 54 HB2 ALA 54 -2.422 13.639 7.167 460 HB3 ALA 54 HB3 ALA 54 -2.609 15.132 6.248 461 H ASP 55 H ASP 55 -3.594 11.478 6.647 462 HA ASP 55 HA ASP 55 -1.644 9.525 6.180 463 HB2 ASP 55 HB2 ASP 55 -3.794 9.749 7.830 464 HB3 ASP 55 HB3 ASP 55 -4.394 8.593 6.662 465 H LYS 56 H LYS 56 -4.849 9.984 4.877 466 HA LYS 56 HA LYS 56 -5.066 7.968 3.039 467 HB2 LYS 56 HB2 LYS 56 -6.102 10.675 3.398 468 HB3 LYS 56 HB3 LYS 56 -6.238 10.058 1.754 469 HG2 LYS 56 HG2 LYS 56 -7.480 9.027 4.277 470 HG3 LYS 56 HG3 LYS 56 -8.251 9.577 2.795 471 HD2 LYS 56 HD2 LYS 56 -6.697 7.016 3.180 472 HD3 LYS 56 HD3 LYS 56 -8.434 7.190 2.938 473 HE2 LYS 56 HE2 LYS 56 -8.070 8.013 0.693 474 HE3 LYS 56 HE3 LYS 56 -6.323 7.931 0.924 475 HZ1 LYS 56 HZ1 LYS 56 -6.555 5.526 1.286 476 HZ2 LYS 56 HZ2 LYS 56 -7.061 5.996 -0.265 477 HZ3 LYS 56 HZ3 LYS 56 -8.208 5.638 0.926 478 H PHE 57 H PHE 57 -4.005 11.281 2.241 479 HA PHE 57 HA PHE 57 -3.093 10.738 -0.306 480 HB2 PHE 57 HB2 PHE 57 -3.263 13.023 0.605 481 HB3 PHE 57 HB3 PHE 57 -1.840 12.713 1.606 482 HD1 PHE 57 HD1 PHE 57 -2.153 11.468 -1.839 483 HD2 PHE 57 HD2 PHE 57 -0.537 14.509 0.657 484 HE1 PHE 57 HE1 PHE 57 -0.704 12.216 -3.679 485 HE2 PHE 57 HE2 PHE 57 0.917 15.249 -1.162 486 HZ PHE 57 HZ PHE 57 0.823 14.091 -3.361 487 H LYS 58 H LYS 58 -1.409 10.387 2.716 488 HA LYS 58 HA LYS 58 1.146 9.798 1.814 489 HB2 LYS 58 HB2 LYS 58 0.325 10.258 4.138 490 HB3 LYS 58 HB3 LYS 58 -0.231 8.595 4.208 491 HG2 LYS 58 HG2 LYS 58 2.002 7.782 4.014 492 HG3 LYS 58 HG3 LYS 58 2.624 9.404 3.714 493 HD2 LYS 58 HD2 LYS 58 1.454 8.282 6.251 494 HD3 LYS 58 HD3 LYS 58 3.074 8.932 5.992 495 HE2 LYS 58 HE2 LYS 58 0.501 10.501 5.874 496 HE3 LYS 58 HE3 LYS 58 1.642 10.498 7.219 497 HZ1 LYS 58 HZ1 LYS 58 2.212 11.441 4.461 498 HZ2 LYS 58 HZ2 LYS 58 3.323 11.414 5.734 499 HZ3 LYS 58 HZ3 LYS 58 1.975 12.424 5.816 500 H GLU 59 H GLU 59 -1.573 7.601 2.447 501 HA GLU 59 HA GLU 59 -0.084 5.273 1.738 502 HB2 GLU 59 HB2 GLU 59 -2.369 4.188 1.778 503 HB3 GLU 59 HB3 GLU 59 -1.768 4.862 3.277 504 HG2 GLU 59 HG2 GLU 59 -3.133 6.834 2.933 505 HG3 GLU 59 HG3 GLU 59 -3.732 6.161 1.421 506 H ILE 60 H ILE 60 -2.319 7.389 -0.020 507 HA ILE 60 HA ILE 60 -2.561 5.798 -2.364 508 HB ILE 60 HB ILE 60 -2.339 8.790 -2.502 509 HG12 ILE 60 HG12 ILE 60 -4.947 7.416 -1.923 510 HG13 ILE 60 HG13 ILE 60 -3.929 8.037 -0.627 511 HG21 ILE 60 HG21 ILE 60 -3.649 8.636 -4.418 512 HG22 ILE 60 HG22 ILE 60 -4.231 7.028 -3.996 513 HG23 ILE 60 HG23 ILE 60 -2.566 7.248 -4.516 514 HD11 ILE 60 HD11 ILE 60 -4.009 10.268 -1.738 515 HD12 ILE 60 HD12 ILE 60 -5.566 9.693 -1.147 516 HD13 ILE 60 HD13 ILE 60 -5.183 9.606 -2.867 517 H ASN 61 H ASN 61 -0.433 8.453 -1.502 518 HA ASN 61 HA ASN 61 1.144 8.526 -3.799 519 HB2 ASN 61 HB2 ASN 61 0.977 10.307 -2.072 520 HB3 ASN 61 HB3 ASN 61 1.884 9.280 -0.960 521 HD21 ASN 61 HD21 ASN 61 3.510 10.768 -0.744 522 HD22 ASN 61 HD22 ASN 61 4.671 11.067 -1.992 523 H ASN 62 H ASN 62 1.317 6.560 -0.918 524 HA ASN 62 HA ASN 62 3.866 5.422 -1.512 525 HB2 ASN 62 HB2 ASN 62 2.650 5.486 0.764 526 HB3 ASN 62 HB3 ASN 62 1.773 4.078 0.169 527 HD21 ASN 62 HD21 ASN 62 2.643 2.667 1.632 528 HD22 ASN 62 HD22 ASN 62 4.301 2.182 1.604 529 H ALA 63 H ALA 63 0.568 4.084 -1.657 530 HA ALA 63 HA ALA 63 1.088 1.651 -2.814 531 HB1 ALA 63 HB1 ALA 63 -1.296 3.432 -3.294 532 HB2 ALA 63 HB2 ALA 63 -1.103 2.254 -1.993 533 HB3 ALA 63 HB3 ALA 63 -1.220 1.711 -3.667 534 H HIS 64 H HIS 64 0.660 4.735 -4.459 535 HA HIS 64 HA HIS 64 0.680 4.014 -7.103 536 HB2 HIS 64 HB2 HIS 64 0.415 6.277 -6.724 537 HB3 HIS 64 HB3 HIS 64 1.747 6.357 -5.581 538 HD1 HIS 64 HD1 HIS 64 1.013 6.484 -9.271 539 HD2 HIS 64 HD2 HIS 64 4.235 6.927 -6.684 540 HE1 HIS 64 HE1 HIS 64 2.874 7.444 -10.661 541 HE2 HIS 64 HE2 HIS 64 4.735 7.886 -9.029 542 H ALA 65 H ALA 65 3.440 4.195 -4.914 543 HA ALA 65 HA ALA 65 5.271 3.530 -7.081 544 HB1 ALA 65 HB1 ALA 65 5.899 5.310 -5.521 545 HB2 ALA 65 HB2 ALA 65 7.039 3.964 -5.470 546 HB3 ALA 65 HB3 ALA 65 5.842 4.156 -4.188 547 H ILE 66 H ILE 66 3.510 1.971 -4.604 548 HA ILE 66 HA ILE 66 5.483 -0.056 -4.036 549 HB ILE 66 HB ILE 66 2.568 -0.097 -3.256 550 HG12 ILE 66 HG12 ILE 66 3.489 1.956 -2.398 551 HG13 ILE 66 HG13 ILE 66 3.348 0.814 -1.069 552 HG21 ILE 66 HG21 ILE 66 3.675 -2.231 -3.031 553 HG22 ILE 66 HG22 ILE 66 3.368 -1.547 -1.436 554 HG23 ILE 66 HG23 ILE 66 4.993 -1.485 -2.124 555 HD11 ILE 66 HD11 ILE 66 5.727 0.353 -1.208 556 HD12 ILE 66 HD12 ILE 66 5.414 2.071 -0.961 557 HD13 ILE 66 HD13 ILE 66 5.866 1.476 -2.560 558 H LEU 67 H LEU 67 2.238 -0.101 -5.548 559 HA LEU 67 HA LEU 67 2.241 -2.904 -5.858 560 HB2 LEU 67 HB2 LEU 67 0.568 -0.785 -7.176 561 HB3 LEU 67 HB3 LEU 67 0.304 -2.497 -7.413 562 HG LEU 67 HG LEU 67 -1.083 -2.451 -5.686 563 HD11 LEU 67 HD11 LEU 67 0.854 -3.298 -4.462 564 HD12 LEU 67 HD12 LEU 67 -0.225 -2.360 -3.430 565 HD13 LEU 67 HD13 LEU 67 1.280 -1.646 -4.010 566 HD21 LEU 67 HD21 LEU 67 -0.032 0.288 -5.021 567 HD22 LEU 67 HD22 LEU 67 -1.493 -0.452 -4.363 568 HD23 LEU 67 HD23 LEU 67 -1.393 -0.077 -6.083 569 H THR 68 H THR 68 3.512 -0.401 -7.847 570 HA THR 68 HA THR 68 3.793 -2.276 -10.083 571 HB THR 68 HB THR 68 2.670 -0.207 -10.675 572 HG1 THR 68 HG1 THR 68 5.268 -0.646 -11.697 573 HG21 THR 68 HG21 THR 68 3.589 1.237 -8.942 574 HG22 THR 68 HG22 THR 68 3.808 1.950 -10.538 575 HG23 THR 68 HG23 THR 68 5.169 1.184 -9.721 576 H ASP 69 H ASP 69 5.465 -1.840 -7.501 577 HA ASP 69 HA ASP 69 8.079 -1.495 -8.823 578 HB2 ASP 69 HB2 ASP 69 7.508 0.071 -6.938 579 HB3 ASP 69 HB3 ASP 69 7.478 -1.336 -5.870 580 H ALA 70 H ALA 70 9.737 -2.998 -8.363 581 HA ALA 70 HA ALA 70 8.853 -5.664 -7.917 582 HB1 ALA 70 HB1 ALA 70 11.203 -6.279 -8.060 583 HB2 ALA 70 HB2 ALA 70 11.666 -4.580 -7.960 584 HB3 ALA 70 HB3 ALA 70 10.768 -5.169 -9.359 585 H THR 71 H THR 71 11.004 -3.531 -6.044 586 HA THR 71 HA THR 71 11.279 -5.389 -3.911 587 HB THR 71 HB THR 71 11.908 -2.437 -3.996 588 HG1 THR 71 HG1 THR 71 13.602 -3.056 -5.079 589 HG21 THR 71 HG21 THR 71 11.694 -3.125 -1.727 590 HG22 THR 71 HG22 THR 71 13.419 -3.020 -2.089 591 HG23 THR 71 HG23 THR 71 12.621 -4.597 -2.024 592 H LYS 72 H LYS 72 9.453 -2.327 -4.199 593 HA LYS 72 HA LYS 72 8.604 -2.375 -1.502 594 HB2 LYS 72 HB2 LYS 72 7.830 -0.787 -3.911 595 HB3 LYS 72 HB3 LYS 72 6.873 -0.670 -2.436 596 HG2 LYS 72 HG2 LYS 72 8.725 0.069 -1.176 597 HG3 LYS 72 HG3 LYS 72 9.849 -0.295 -2.484 598 HD2 LYS 72 HD2 LYS 72 7.738 1.854 -2.460 599 HD3 LYS 72 HD3 LYS 72 9.481 2.083 -2.343 600 HE2 LYS 72 HE2 LYS 72 9.419 0.726 -4.620 601 HE3 LYS 72 HE3 LYS 72 7.794 1.408 -4.680 602 HZ1 LYS 72 HZ1 LYS 72 8.789 3.617 -4.368 603 HZ2 LYS 72 HZ2 LYS 72 9.326 2.868 -5.786 604 HZ3 LYS 72 HZ3 LYS 72 10.335 2.922 -4.426 605 H ARG 73 H ARG 73 7.389 -3.852 -4.338 606 HA ARG 73 HA ARG 73 4.898 -4.607 -3.041 607 HB2 ARG 73 HB2 ARG 73 4.773 -4.188 -5.403 608 HB3 ARG 73 HB3 ARG 73 6.106 -5.289 -5.721 609 HG2 ARG 73 HG2 ARG 73 4.718 -7.151 -4.941 610 HG3 ARG 73 HG3 ARG 73 3.361 -6.032 -4.742 611 HD2 ARG 73 HD2 ARG 73 3.152 -7.153 -6.869 612 HD3 ARG 73 HD3 ARG 73 3.543 -5.455 -7.143 613 HE ARG 73 HE ARG 73 5.639 -7.527 -7.203 614 HH11 ARG 73 HH11 ARG 73 3.928 -4.872 -8.733 615 HH12 ARG 73 HH12 ARG 73 5.016 -4.789 -10.077 616 HH21 ARG 73 HH21 ARG 73 7.078 -7.399 -8.964 617 HH22 ARG 73 HH22 ARG 73 6.808 -6.225 -10.214 618 H ASN 74 H ASN 74 8.016 -5.874 -3.823 619 HA ASN 74 HA ASN 74 7.771 -8.549 -3.206 620 HB2 ASN 74 HB2 ASN 74 9.815 -7.528 -4.140 621 HB3 ASN 74 HB3 ASN 74 10.102 -6.724 -2.601 622 HD21 ASN 74 HD21 ASN 74 10.723 -7.939 -0.820 623 HD22 ASN 74 HD22 ASN 74 11.427 -9.504 -0.996 624 H ILE 75 H ILE 75 9.053 -6.096 -0.893 625 HA ILE 75 HA ILE 75 8.910 -7.924 1.263 626 HB ILE 75 HB ILE 75 9.503 -6.227 2.759 627 HG12 ILE 75 HG12 ILE 75 7.716 -4.615 2.234 628 HG13 ILE 75 HG13 ILE 75 9.286 -3.834 2.371 629 HG21 ILE 75 HG21 ILE 75 11.243 -6.723 1.171 630 HG22 ILE 75 HG22 ILE 75 11.326 -5.039 1.686 631 HG23 ILE 75 HG23 ILE 75 10.661 -5.445 0.104 632 HD11 ILE 75 HD11 ILE 75 7.885 -4.540 -0.192 633 HD12 ILE 75 HD12 ILE 75 9.448 -3.729 -0.051 634 HD13 ILE 75 HD13 ILE 75 7.985 -2.933 0.533 635 H TYR 76 H TYR 76 6.634 -5.716 -0.106 636 HA TYR 76 HA TYR 76 4.777 -5.457 1.935 637 HB2 TYR 76 HB2 TYR 76 4.361 -4.120 0.085 638 HB3 TYR 76 HB3 TYR 76 4.650 -5.428 -1.054 639 HD1 TYR 76 HD2 TYR 76 2.211 -3.837 1.149 640 HD2 TYR 76 HD1 TYR 76 2.878 -6.974 -1.641 641 HE1 TYR 76 HE2 TYR 76 -0.211 -4.169 0.964 642 HE2 TYR 76 HE1 TYR 76 0.454 -7.325 -1.833 643 HH TYR 76 HH TYR 76 -1.834 -5.126 -0.586 644 H ASP 77 H ASP 77 5.079 -7.944 -0.548 645 HA ASP 77 HA ASP 77 2.844 -9.448 0.508 646 HB2 ASP 77 HB2 ASP 77 3.156 -9.444 -1.879 647 HB3 ASP 77 HB3 ASP 77 4.821 -10.003 -1.715 648 H LYS 78 H LYS 78 6.310 -9.466 0.714 649 HA LYS 78 HA LYS 78 6.577 -12.095 1.778 650 HB2 LYS 78 HB2 LYS 78 8.350 -9.822 1.264 651 HB3 LYS 78 HB3 LYS 78 8.803 -10.763 2.674 652 HG2 LYS 78 HG2 LYS 78 10.000 -11.836 1.056 653 HG3 LYS 78 HG3 LYS 78 8.514 -12.783 1.029 654 HD2 LYS 78 HD2 LYS 78 9.086 -10.482 -0.825 655 HD3 LYS 78 HD3 LYS 78 9.426 -12.165 -1.221 656 HE2 LYS 78 HE2 LYS 78 6.717 -11.049 -0.533 657 HE3 LYS 78 HE3 LYS 78 7.301 -11.336 -2.169 658 HZ1 LYS 78 HZ1 LYS 78 7.361 -13.657 -1.772 659 HZ2 LYS 78 HZ2 LYS 78 5.851 -13.112 -1.226 660 HZ3 LYS 78 HZ3 LYS 78 7.080 -13.463 -0.119 661 H TYR 79 H TYR 79 6.871 -8.896 3.336 662 HA TYR 79 HA TYR 79 5.930 -10.134 5.834 663 HB2 TYR 79 HB2 TYR 79 8.245 -8.207 5.575 664 HB3 TYR 79 HB3 TYR 79 7.526 -8.711 7.102 665 HD1 TYR 79 HD2 TYR 79 7.596 -11.190 7.694 666 HD2 TYR 79 HD1 TYR 79 9.919 -9.492 4.561 667 HE1 TYR 79 HE2 TYR 79 9.098 -13.134 7.757 668 HE2 TYR 79 HE1 TYR 79 11.423 -11.433 4.615 669 HH TYR 79 HH TYR 79 10.657 -14.299 6.244 670 H GLY 80 H GLY 80 6.733 -6.936 4.432 671 HA2 GLY 80 HA2 GLY 80 5.233 -5.235 3.931 672 HA3 GLY 80 HA3 GLY 80 3.951 -6.163 4.700 673 H SER 81 H SER 81 5.220 -6.469 7.245 674 HA SER 81 HA SER 81 4.133 -4.254 8.517 675 HB2 SER 81 HB2 SER 81 5.454 -5.154 10.532 676 HB3 SER 81 HB3 SER 81 4.304 -6.248 9.762 677 HG SER 81 HG SER 81 6.123 -7.428 9.939 678 H LEU 82 H LEU 82 7.598 -5.064 8.678 679 HA LEU 82 HA LEU 82 8.201 -2.279 9.237 680 HB2 LEU 82 HB2 LEU 82 9.376 -3.727 10.633 681 HB3 LEU 82 HB3 LEU 82 9.734 -4.844 9.337 682 HG LEU 82 HG LEU 82 11.338 -3.189 8.402 683 HD11 LEU 82 HD11 LEU 82 10.888 -1.713 10.988 684 HD12 LEU 82 HD12 LEU 82 10.330 -1.179 9.403 685 HD13 LEU 82 HD13 LEU 82 12.058 -1.314 9.728 686 HD21 LEU 82 HD21 LEU 82 13.058 -3.585 10.081 687 HD22 LEU 82 HD22 LEU 82 12.077 -5.025 9.820 688 HD23 LEU 82 HD23 LEU 82 11.821 -4.031 11.253 689 H GLY 83 H GLY 83 9.215 -4.731 6.874 690 HA2 GLY 83 HA2 GLY 83 11.123 -3.356 5.491 691 HA3 GLY 83 HA3 GLY 83 10.089 -4.566 4.761 692 H LEU 84 H LEU 84 7.660 -2.936 5.081 693 HA LEU 84 HA LEU 84 7.934 -1.522 2.598 694 HB2 LEU 84 HB2 LEU 84 5.896 -2.781 3.217 695 HB3 LEU 84 HB3 LEU 84 5.592 -1.625 4.500 696 HG LEU 84 HG LEU 84 5.503 0.159 2.688 697 HD11 LEU 84 HD11 LEU 84 5.338 -2.299 0.947 698 HD12 LEU 84 HD12 LEU 84 6.583 -1.052 0.901 699 HD13 LEU 84 HD13 LEU 84 4.929 -0.664 0.432 700 HD21 LEU 84 HD21 LEU 84 3.541 -0.798 3.862 701 HD22 LEU 84 HD22 LEU 84 3.398 -1.994 2.572 702 HD23 LEU 84 HD23 LEU 84 3.198 -0.278 2.213 703 H TYR 85 H TYR 85 7.301 -0.598 5.957 704 HA TYR 85 HA TYR 85 6.953 2.162 5.397 705 HB2 TYR 85 HB2 TYR 85 6.053 2.044 7.440 706 HB3 TYR 85 HB3 TYR 85 6.665 0.409 7.623 707 HD1 TYR 85 HD2 TYR 85 8.939 0.075 8.655 708 HD2 TYR 85 HD1 TYR 85 6.954 3.839 8.685 709 HE1 TYR 85 HE2 TYR 85 10.400 0.822 10.484 710 HE2 TYR 85 HE1 TYR 85 8.407 4.596 10.518 711 HH TYR 85 HH TYR 85 9.764 3.595 12.328 712 H VAL 86 H VAL 86 9.712 0.195 6.272 713 HA VAL 86 HA VAL 86 11.420 2.398 6.903 714 HB VAL 86 HB VAL 86 11.977 0.345 7.943 715 HG11 VAL 86 HG11 VAL 86 12.440 -1.707 6.797 716 HG12 VAL 86 HG12 VAL 86 12.209 -0.930 5.232 717 HG13 VAL 86 HG13 VAL 86 10.844 -1.126 6.333 718 HG21 VAL 86 HG21 VAL 86 13.926 0.909 5.730 719 HG22 VAL 86 HG22 VAL 86 14.252 -0.187 7.075 720 HG23 VAL 86 HG23 VAL 86 13.958 1.526 7.385 721 H ALA 87 H ALA 87 10.643 0.608 4.001 722 HA ALA 87 HA ALA 87 12.881 1.372 2.455 723 HB1 ALA 87 HB1 ALA 87 11.373 -0.465 1.859 724 HB2 ALA 87 HB2 ALA 87 11.610 0.686 0.546 725 HB3 ALA 87 HB3 ALA 87 10.114 0.712 1.479 726 H GLU 88 H GLU 88 9.979 3.041 3.363 727 HA GLU 88 HA GLU 88 10.046 5.052 1.348 728 HB2 GLU 88 HB2 GLU 88 8.858 5.116 4.127 729 HB3 GLU 88 HB3 GLU 88 8.572 6.322 2.885 730 HG2 GLU 88 HG2 GLU 88 7.494 4.632 1.491 731 HG3 GLU 88 HG3 GLU 88 7.784 3.421 2.742 732 H GLN 89 H GLN 89 10.898 5.156 4.797 733 HA GLN 89 HA GLN 89 12.001 7.779 4.571 734 HB2 GLN 89 HB2 GLN 89 12.238 5.837 6.873 735 HB3 GLN 89 HB3 GLN 89 12.477 7.579 6.935 736 HG2 GLN 89 HG2 GLN 89 9.886 6.171 6.332 737 HG3 GLN 89 HG3 GLN 89 10.319 6.939 7.857 738 HE21 GLN 89 HE21 GLN 89 8.117 7.466 5.977 739 HE22 GLN 89 HE22 GLN 89 8.250 9.140 5.566 740 H PHE 90 H PHE 90 13.362 4.528 4.893 741 HA PHE 90 HA PHE 90 16.053 5.629 4.979 742 HB2 PHE 90 HB2 PHE 90 14.993 2.815 5.241 743 HB3 PHE 90 HB3 PHE 90 16.718 3.188 5.178 744 HD1 PHE 90 HD1 PHE 90 13.612 3.806 7.109 745 HD2 PHE 90 HD2 PHE 90 17.866 3.857 7.094 746 HE1 PHE 90 HE1 PHE 90 13.613 4.175 9.540 747 HE2 PHE 90 HE2 PHE 90 17.873 4.229 9.526 748 HZ PHE 90 HZ PHE 90 15.745 4.387 10.752 749 H GLY 91 H GLY 91 13.978 3.783 2.788 750 HA2 GLY 91 HA2 GLY 91 14.407 4.049 0.392 751 HA3 GLY 91 HA3 GLY 91 16.128 3.993 0.768 752 H GLU 92 H GLU 92 14.298 2.273 -0.911 753 HA GLU 92 HA GLU 92 13.618 -0.098 0.431 754 HB2 GLU 92 HB2 GLU 92 14.247 0.127 -2.513 755 HB3 GLU 92 HB3 GLU 92 13.111 -0.963 -1.727 756 HG2 GLU 92 HG2 GLU 92 11.534 0.651 -1.446 757 HG3 GLU 92 HG3 GLU 92 12.722 1.955 -1.450 758 H GLU 93 H GLU 93 16.438 0.744 -1.509 759 HA GLU 93 HA GLU 93 17.624 -1.869 -1.196 760 HB2 GLU 93 HB2 GLU 93 19.574 -0.967 -2.298 761 HB3 GLU 93 HB3 GLU 93 18.142 -0.426 -3.160 762 HG2 GLU 93 HG2 GLU 93 19.515 1.270 -1.103 763 HG3 GLU 93 HG3 GLU 93 20.001 1.261 -2.792 764 H ASN 94 H ASN 94 17.589 1.125 0.469 765 HA ASN 94 HA ASN 94 20.030 0.808 1.900 766 HB2 ASN 94 HB2 ASN 94 17.740 2.709 1.961 767 HB3 ASN 94 HB3 ASN 94 18.814 2.655 3.344 768 HD21 ASN 94 HD21 ASN 94 18.522 3.416 -0.020 769 HD22 ASN 94 HD22 ASN 94 20.007 4.289 -0.139 770 H VAL 95 H VAL 95 16.682 0.071 2.534 771 HA VAL 95 HA VAL 95 16.431 -0.263 5.192 772 HB VAL 95 HB VAL 95 14.817 -1.991 4.870 773 HG11 VAL 95 HG11 VAL 95 14.193 0.224 4.062 774 HG12 VAL 95 HG12 VAL 95 13.395 -1.057 3.156 775 HG13 VAL 95 HG13 VAL 95 14.770 -0.205 2.456 776 HG21 VAL 95 HG21 VAL 95 15.909 -2.392 2.094 777 HG22 VAL 95 HG22 VAL 95 14.554 -3.250 2.829 778 HG23 VAL 95 HG23 VAL 95 16.192 -3.474 3.460 779 H ASN 96 H ASN 96 18.339 -2.290 3.112 780 HA ASN 96 HA ASN 96 18.768 -4.556 4.609 781 HB2 ASN 96 HB2 ASN 96 19.592 -4.252 2.347 782 HB3 ASN 96 HB3 ASN 96 20.704 -2.999 2.887 783 HD21 ASN 96 HD21 ASN 96 20.088 -6.387 2.689 784 HD22 ASN 96 HD22 ASN 96 21.639 -6.915 3.240 785 H THR 97 H THR 97 19.829 -1.331 5.233 786 HA THR 97 HA THR 97 22.005 -1.879 6.942 787 HB THR 97 HB THR 97 21.609 0.344 5.961 788 HG1 THR 97 HG1 THR 97 22.778 0.130 7.987 789 HG21 THR 97 HG21 THR 97 19.203 0.477 6.035 790 HG22 THR 97 HG22 THR 97 19.880 1.834 6.941 791 HG23 THR 97 HG23 THR 97 19.219 0.442 7.801 792 H TYR 98 H TYR 98 18.559 -1.518 7.523 793 HA TYR 98 HA TYR 98 18.902 -1.874 10.393 794 HB2 TYR 98 HB2 TYR 98 17.323 -0.179 9.443 795 HB3 TYR 98 HB3 TYR 98 16.368 -1.503 8.773 796 HD1 TYR 98 HD2 TYR 98 17.545 0.032 11.933 797 HD2 TYR 98 HD1 TYR 98 14.783 -2.636 10.111 798 HE1 TYR 98 HE2 TYR 98 16.275 -0.079 14.037 799 HE2 TYR 98 HE1 TYR 98 13.501 -2.753 12.207 800 HH TYR 98 HH TYR 98 13.805 -2.390 14.576 801 H PHE 99 H PHE 99 18.312 -3.651 7.592 802 HA PHE 99 HA PHE 99 17.059 -5.887 8.962 803 HB2 PHE 99 HB2 PHE 99 17.581 -5.180 6.093 804 HB3 PHE 99 HB3 PHE 99 17.243 -6.848 6.522 805 HD1 PHE 99 HD1 PHE 99 15.063 -7.468 7.464 806 HD2 PHE 99 HD2 PHE 99 15.893 -3.520 6.132 807 HE1 PHE 99 HE1 PHE 99 12.658 -6.985 7.431 808 HE2 PHE 99 HE2 PHE 99 13.479 -3.019 6.094 809 HZ PHE 99 HZ PHE 99 11.849 -4.770 6.747 810 H VAL 100 H VAL 100 18.193 -7.936 7.398 811 HA VAL 100 HA VAL 100 20.120 -8.950 8.980 812 HB VAL 100 HB VAL 100 19.024 -10.384 7.458 813 HG11 VAL 100 HG11 VAL 100 19.390 -10.294 5.014 814 HG12 VAL 100 HG12 VAL 100 20.267 -8.780 5.235 815 HG13 VAL 100 HG13 VAL 100 18.557 -8.876 5.649 816 HG21 VAL 100 HG21 VAL 100 20.879 -11.592 6.384 817 HG22 VAL 100 HG22 VAL 100 21.247 -11.126 8.044 818 HG23 VAL 100 HG23 VAL 100 21.936 -10.216 6.699 Start of MODEL 12 1 H1 MET -4 H1 MET -4 -24.452 -26.173 21.336 2 H2 MET -4 H2 MET -4 -22.812 -26.267 21.737 3 H3 MET -4 H3 MET -4 -23.293 -26.379 20.121 4 HA MET -4 HA MET -4 -24.095 -24.119 20.167 5 HB2 MET -4 HB2 MET -4 -24.671 -23.948 22.514 6 HB3 MET -4 HB3 MET -4 -22.995 -24.187 22.982 7 HG2 MET -4 HG2 MET -4 -23.659 -21.856 23.183 8 HG3 MET -4 HG3 MET -4 -22.385 -22.064 21.984 9 HE1 MET -4 HE1 MET -4 -26.166 -21.343 22.624 10 HE2 MET -4 HE2 MET -4 -26.273 -22.793 21.627 11 HE3 MET -4 HE3 MET -4 -26.818 -21.244 20.988 12 H ARG -3 H ARG -3 -22.777 -22.978 18.940 13 HA ARG -3 HA ARG -3 -20.927 -22.157 17.941 14 HB2 ARG -3 HB2 ARG -3 -20.447 -21.198 20.141 15 HB3 ARG -3 HB3 ARG -3 -19.634 -22.676 20.622 16 HG2 ARG -3 HG2 ARG -3 -18.045 -20.920 20.049 17 HG3 ARG -3 HG3 ARG -3 -17.906 -22.295 18.954 18 HD2 ARG -3 HD2 ARG -3 -19.610 -19.934 18.254 19 HD3 ARG -3 HD3 ARG -3 -17.870 -19.902 17.980 20 HE ARG -3 HE ARG -3 -18.554 -22.182 16.763 21 HH11 ARG -3 HH11 ARG -3 -19.958 -18.984 16.613 22 HH12 ARG -3 HH12 ARG -3 -20.495 -19.156 14.974 23 HH21 ARG -3 HH21 ARG -3 -19.249 -22.420 14.602 24 HH22 ARG -3 HH22 ARG -3 -20.096 -21.116 13.825 25 H SER -2 H SER -2 -21.110 -24.079 16.635 26 HA SER -2 HA SER -2 -19.385 -26.304 17.065 27 HB2 SER -2 HB2 SER -2 -20.702 -25.339 14.513 28 HB3 SER -2 HB3 SER -2 -20.036 -26.947 14.797 29 HG SER -2 HG SER -2 -22.074 -27.291 15.331 30 HA PRO -1 HA PRO -1 -15.505 -24.640 15.772 31 HB2 PRO -1 HB2 PRO -1 -14.990 -27.236 14.453 32 HB3 PRO -1 HB3 PRO -1 -14.092 -26.430 15.742 33 HG2 PRO -1 HG2 PRO -1 -15.603 -28.579 16.239 34 HG3 PRO -1 HG3 PRO -1 -15.477 -27.245 17.401 35 HD2 PRO -1 HD2 PRO -1 -17.687 -27.898 15.495 36 HD3 PRO -1 HD3 PRO -1 -17.772 -27.301 17.166 37 H GLY 0 H GLY 0 -14.397 -23.872 13.964 38 HA2 GLY 0 HA2 GLY 0 -13.995 -23.721 11.615 39 HA3 GLY 0 HA3 GLY 0 -15.571 -24.449 11.333 40 H MET 1 H MET 1 -15.027 -21.864 13.626 41 HA MET 1 HA MET 1 -17.011 -20.273 12.203 42 HB2 MET 1 HB2 MET 1 -17.134 -18.930 14.213 43 HB3 MET 1 HB3 MET 1 -17.231 -20.631 14.645 44 HG2 MET 1 HG2 MET 1 -14.938 -20.626 15.375 45 HG3 MET 1 HG3 MET 1 -14.729 -18.968 14.816 46 HE1 MET 1 HE1 MET 1 -13.924 -19.878 17.744 47 HE2 MET 1 HE2 MET 1 -14.566 -18.537 18.690 48 HE3 MET 1 HE3 MET 1 -13.765 -18.226 17.151 49 H ALA 2 H ALA 2 -16.694 -18.117 11.593 50 HA ALA 2 HA ALA 2 -14.011 -17.412 10.824 51 HB1 ALA 2 HB1 ALA 2 -15.037 -15.445 9.812 52 HB2 ALA 2 HB2 ALA 2 -16.566 -15.819 10.605 53 HB3 ALA 2 HB3 ALA 2 -15.925 -16.904 9.371 54 H ASP 3 H ASP 3 -12.996 -17.275 12.859 55 HA ASP 3 HA ASP 3 -13.991 -15.516 14.898 56 HB2 ASP 3 HB2 ASP 3 -12.715 -17.582 15.411 57 HB3 ASP 3 HB3 ASP 3 -11.286 -16.849 14.686 58 H GLN 4 H GLN 4 -13.781 -13.402 14.864 59 HA GLN 4 HA GLN 4 -11.402 -12.237 13.597 60 HB2 GLN 4 HB2 GLN 4 -12.925 -10.338 12.868 61 HB3 GLN 4 HB3 GLN 4 -13.102 -11.858 12.002 62 HG2 GLN 4 HG2 GLN 4 -15.079 -12.398 13.280 63 HG3 GLN 4 HG3 GLN 4 -14.876 -10.943 14.254 64 HE21 GLN 4 HE21 GLN 4 -15.367 -8.954 13.377 65 HE22 GLN 4 HE22 GLN 4 -16.283 -8.780 11.920 66 H ARG 5 H ARG 5 -10.270 -11.484 15.270 67 HA ARG 5 HA ARG 5 -11.653 -10.267 17.525 68 HB2 ARG 5 HB2 ARG 5 -8.688 -10.699 17.126 69 HB3 ARG 5 HB3 ARG 5 -9.495 -10.277 18.632 70 HG2 ARG 5 HG2 ARG 5 -9.721 -12.864 17.110 71 HG3 ARG 5 HG3 ARG 5 -8.959 -12.606 18.681 72 HD2 ARG 5 HD2 ARG 5 -11.108 -12.038 19.654 73 HD3 ARG 5 HD3 ARG 5 -11.882 -12.194 18.077 74 HE ARG 5 HE ARG 5 -11.303 -14.587 18.160 75 HH11 ARG 5 HH11 ARG 5 -11.388 -12.782 21.172 76 HH12 ARG 5 HH12 ARG 5 -11.669 -14.186 22.146 77 HH21 ARG 5 HH21 ARG 5 -11.725 -16.418 19.439 78 HH22 ARG 5 HH22 ARG 5 -11.866 -16.256 21.163 79 H GLN 6 H GLN 6 -9.890 -9.365 14.726 80 HA GLN 6 HA GLN 6 -10.133 -6.543 15.467 81 HB2 GLN 6 HB2 GLN 6 -7.706 -7.885 14.273 82 HB3 GLN 6 HB3 GLN 6 -7.937 -6.148 14.274 83 HG2 GLN 6 HG2 GLN 6 -7.949 -6.135 16.703 84 HG3 GLN 6 HG3 GLN 6 -7.768 -7.890 16.721 85 HE21 GLN 6 HE21 GLN 6 -6.209 -4.851 16.090 86 HE22 GLN 6 HE22 GLN 6 -4.592 -5.461 16.037 87 H ARG 7 H ARG 7 -10.459 -5.134 13.712 88 HA ARG 7 HA ARG 7 -11.894 -6.218 11.536 89 HB2 ARG 7 HB2 ARG 7 -12.593 -4.111 12.235 90 HB3 ARG 7 HB3 ARG 7 -10.953 -3.503 12.386 91 HG2 ARG 7 HG2 ARG 7 -11.983 -2.424 10.554 92 HG3 ARG 7 HG3 ARG 7 -10.779 -3.551 9.927 93 HD2 ARG 7 HD2 ARG 7 -12.830 -3.654 8.608 94 HD3 ARG 7 HD3 ARG 7 -12.542 -5.174 9.449 95 HE ARG 7 HE ARG 7 -14.242 -3.432 10.942 96 HH11 ARG 7 HH11 ARG 7 -14.204 -5.661 8.250 97 HH12 ARG 7 HH12 ARG 7 -15.868 -6.112 8.432 98 HH21 ARG 7 HH21 ARG 7 -16.448 -4.008 11.170 99 HH22 ARG 7 HH22 ARG 7 -17.143 -5.170 10.086 100 H SER 8 H SER 8 -8.635 -4.997 11.985 101 HA SER 8 HA SER 8 -7.967 -4.936 9.223 102 HB2 SER 8 HB2 SER 8 -6.868 -3.498 10.848 103 HB3 SER 8 HB3 SER 8 -6.194 -4.904 11.669 104 HG SER 8 HG SER 8 -4.759 -5.163 10.100 105 H LEU 9 H LEU 9 -8.283 -7.527 11.400 106 HA LEU 9 HA LEU 9 -6.463 -9.163 9.785 107 HB2 LEU 9 HB2 LEU 9 -6.575 -10.859 11.502 108 HB3 LEU 9 HB3 LEU 9 -6.131 -9.320 12.204 109 HG LEU 9 HG LEU 9 -8.574 -9.116 12.931 110 HD11 LEU 9 HD11 LEU 9 -8.533 -12.066 12.317 111 HD12 LEU 9 HD12 LEU 9 -9.529 -10.852 11.516 112 HD13 LEU 9 HD13 LEU 9 -9.785 -11.215 13.223 113 HD21 LEU 9 HD21 LEU 9 -6.878 -11.321 14.092 114 HD22 LEU 9 HD22 LEU 9 -8.189 -10.475 14.917 115 HD23 LEU 9 HD23 LEU 9 -6.725 -9.603 14.456 116 H SER 10 H SER 10 -9.729 -8.404 10.179 117 HA SER 10 HA SER 10 -10.709 -10.931 9.135 118 HB2 SER 10 HB2 SER 10 -11.954 -9.747 10.922 119 HB3 SER 10 HB3 SER 10 -12.217 -8.411 9.811 120 HG SER 10 HG SER 10 -13.055 -10.427 8.472 121 H THR 11 H THR 11 -9.509 -8.048 7.945 122 HA THR 11 HA THR 11 -11.116 -7.854 5.580 123 HB THR 11 HB THR 11 -9.257 -6.276 4.855 124 HG1 THR 11 HG1 THR 11 -7.799 -5.669 6.518 125 HG21 THR 11 HG21 THR 11 -9.962 -4.511 6.398 126 HG22 THR 11 HG22 THR 11 -10.631 -5.725 7.487 127 HG23 THR 11 HG23 THR 11 -11.336 -5.491 5.888 128 H SER 12 H SER 12 -9.812 -7.803 3.387 129 HA SER 12 HA SER 12 -9.084 -10.431 2.796 130 HB2 SER 12 HB2 SER 12 -8.348 -7.928 1.260 131 HB3 SER 12 HB3 SER 12 -8.392 -9.571 0.619 132 HG SER 12 HG SER 12 -10.717 -9.403 1.523 133 H GLY 13 H GLY 13 -7.067 -7.618 3.549 134 HA2 GLY 13 HA2 GLY 13 -5.050 -8.236 4.899 135 HA3 GLY 13 HA3 GLY 13 -4.734 -9.435 3.653 136 H GLU 14 H GLU 14 -5.920 -7.099 1.885 137 HA GLU 14 HA GLU 14 -3.319 -6.124 1.099 138 HB2 GLU 14 HB2 GLU 14 -4.415 -5.266 -0.832 139 HB3 GLU 14 HB3 GLU 14 -5.163 -6.823 -0.502 140 HG2 GLU 14 HG2 GLU 14 -6.899 -5.403 0.810 141 HG3 GLU 14 HG3 GLU 14 -6.267 -4.080 -0.168 142 H SER 15 H SER 15 -2.638 -3.980 1.209 143 HA SER 15 HA SER 15 -4.340 -2.220 2.843 144 HB2 SER 15 HB2 SER 15 -2.076 -1.212 3.573 145 HB3 SER 15 HB3 SER 15 -2.548 -2.769 4.255 146 HG SER 15 HG SER 15 -0.913 -3.671 3.297 147 H LEU 16 H LEU 16 -1.486 -1.983 0.710 148 HA LEU 16 HA LEU 16 -1.886 0.671 -0.058 149 HB2 LEU 16 HB2 LEU 16 -0.509 -1.600 -1.472 150 HB3 LEU 16 HB3 LEU 16 -0.506 0.032 -2.090 151 HG LEU 16 HG LEU 16 1.568 -0.428 -1.002 152 HD11 LEU 16 HD11 LEU 16 0.806 1.848 -0.795 153 HD12 LEU 16 HD12 LEU 16 1.641 1.370 0.680 154 HD13 LEU 16 HD13 LEU 16 -0.120 1.437 0.650 155 HD21 LEU 16 HD21 LEU 16 1.753 -0.946 1.369 156 HD22 LEU 16 HD22 LEU 16 0.881 -2.204 0.493 157 HD23 LEU 16 HD23 LEU 16 -0.004 -1.043 1.484 158 H TYR 17 H TYR 17 -2.763 -2.304 -1.779 159 HA TYR 17 HA TYR 17 -4.085 -1.249 -3.958 160 HB2 TYR 17 HB2 TYR 17 -4.889 -3.680 -2.346 161 HB3 TYR 17 HB3 TYR 17 -5.471 -3.305 -3.962 162 HD1 TYR 17 HD2 TYR 17 -3.861 -3.344 -5.879 163 HD2 TYR 17 HD1 TYR 17 -2.816 -4.735 -2.000 164 HE1 TYR 17 HE2 TYR 17 -1.960 -4.567 -6.843 165 HE2 TYR 17 HE1 TYR 17 -0.908 -5.966 -2.953 166 HH TYR 17 HH TYR 17 -0.172 -6.883 -5.062 167 H HIS 18 H HIS 18 -5.275 -1.675 -0.675 168 HA HIS 18 HA HIS 18 -7.992 -1.141 -1.281 169 HB2 HIS 18 HB2 HIS 18 -7.230 -2.440 0.698 170 HB3 HIS 18 HB3 HIS 18 -6.606 -0.950 1.398 171 HD1 HIS 18 HD1 HIS 18 -8.156 0.049 3.039 172 HD2 HIS 18 HD2 HIS 18 -10.181 -2.059 0.084 173 HE1 HIS 18 HE1 HIS 18 -10.595 0.212 3.639 174 HE2 HIS 18 HE2 HIS 18 -11.803 -1.100 1.859 175 H VAL 19 H VAL 19 -5.273 0.906 -0.446 176 HA VAL 19 HA VAL 19 -6.829 3.192 0.269 177 HB VAL 19 HB VAL 19 -4.889 4.267 0.658 178 HG11 VAL 19 HG11 VAL 19 -3.882 1.490 0.165 179 HG12 VAL 19 HG12 VAL 19 -4.301 2.252 1.701 180 HG13 VAL 19 HG13 VAL 19 -2.864 2.769 0.819 181 HG21 VAL 19 HG21 VAL 19 -2.896 4.158 -0.918 182 HG22 VAL 19 HG22 VAL 19 -4.361 4.935 -1.519 183 HG23 VAL 19 HG23 VAL 19 -3.964 3.288 -2.029 184 H LEU 20 H LEU 20 -5.636 1.832 -2.677 185 HA LEU 20 HA LEU 20 -6.310 4.185 -4.246 186 HB2 LEU 20 HB2 LEU 20 -4.894 1.610 -4.777 187 HB3 LEU 20 HB3 LEU 20 -5.497 2.558 -6.125 188 HG LEU 20 HG LEU 20 -3.519 3.508 -4.050 189 HD11 LEU 20 HD11 LEU 20 -1.923 3.501 -5.912 190 HD12 LEU 20 HD12 LEU 20 -3.151 2.770 -6.949 191 HD13 LEU 20 HD13 LEU 20 -2.530 1.882 -5.556 192 HD21 LEU 20 HD21 LEU 20 -4.709 4.838 -6.475 193 HD22 LEU 20 HD22 LEU 20 -3.278 5.428 -5.619 194 HD23 LEU 20 HD23 LEU 20 -4.831 5.353 -4.789 195 H GLY 21 H GLY 21 -7.821 1.437 -3.143 196 HA2 GLY 21 HA2 GLY 21 -9.997 0.758 -3.441 197 HA3 GLY 21 HA3 GLY 21 -10.191 2.033 -4.631 198 H LEU 22 H LEU 22 -7.530 0.088 -5.345 199 HA LEU 22 HA LEU 22 -9.151 -1.455 -7.247 200 HB2 LEU 22 HB2 LEU 22 -6.935 -1.752 -8.463 201 HB3 LEU 22 HB3 LEU 22 -7.687 -0.178 -8.541 202 HG LEU 22 HG LEU 22 -6.113 0.469 -6.613 203 HD11 LEU 22 HD11 LEU 22 -4.682 -1.986 -7.624 204 HD12 LEU 22 HD12 LEU 22 -5.386 -1.783 -6.018 205 HD13 LEU 22 HD13 LEU 22 -4.022 -0.782 -6.515 206 HD21 LEU 22 HD21 LEU 22 -4.980 -0.146 -9.336 207 HD22 LEU 22 HD22 LEU 22 -4.351 1.021 -8.172 208 HD23 LEU 22 HD23 LEU 22 -5.930 1.280 -8.909 209 H ASP 23 H ASP 23 -8.316 -3.609 -7.784 210 HA ASP 23 HA ASP 23 -7.443 -4.980 -5.339 211 HB2 ASP 23 HB2 ASP 23 -8.227 -7.008 -6.345 212 HB3 ASP 23 HB3 ASP 23 -9.486 -5.793 -6.526 213 H LYS 24 H LYS 24 -6.440 -7.151 -6.244 214 HA LYS 24 HA LYS 24 -3.741 -6.336 -6.360 215 HB2 LYS 24 HB2 LYS 24 -5.091 -9.038 -6.387 216 HB3 LYS 24 HB3 LYS 24 -3.377 -8.785 -6.132 217 HG2 LYS 24 HG2 LYS 24 -4.794 -9.233 -4.134 218 HG3 LYS 24 HG3 LYS 24 -3.714 -7.865 -3.998 219 HD2 LYS 24 HD2 LYS 24 -5.662 -7.119 -3.004 220 HD3 LYS 24 HD3 LYS 24 -5.879 -6.548 -4.659 221 HE2 LYS 24 HE2 LYS 24 -7.297 -8.428 -5.172 222 HE3 LYS 24 HE3 LYS 24 -6.978 -9.149 -3.595 223 HZ1 LYS 24 HZ1 LYS 24 -9.106 -8.085 -3.560 224 HZ2 LYS 24 HZ2 LYS 24 -8.461 -6.626 -4.116 225 HZ3 LYS 24 HZ3 LYS 24 -8.056 -7.193 -2.574 226 H ASN 25 H ASN 25 -5.984 -6.960 -8.732 227 HA ASN 25 HA ASN 25 -4.060 -8.212 -10.557 228 HB2 ASN 25 HB2 ASN 25 -7.074 -8.088 -10.528 229 HB3 ASN 25 HB3 ASN 25 -6.166 -8.653 -11.926 230 HD21 ASN 25 HD21 ASN 25 -6.625 -9.211 -8.455 231 HD22 ASN 25 HD22 ASN 25 -6.334 -10.911 -8.526 232 H ALA 26 H ALA 26 -4.817 -5.294 -9.645 233 HA ALA 26 HA ALA 26 -5.205 -3.948 -12.132 234 HB1 ALA 26 HB1 ALA 26 -4.183 -2.992 -9.462 235 HB2 ALA 26 HB2 ALA 26 -5.813 -2.793 -10.114 236 HB3 ALA 26 HB3 ALA 26 -4.448 -1.930 -10.858 237 H THR 27 H THR 27 -3.628 -2.784 -13.284 238 HA THR 27 HA THR 27 -0.898 -3.797 -12.879 239 HB THR 27 HB THR 27 -1.921 -4.500 -15.024 240 HG1 THR 27 HG1 THR 27 0.240 -4.346 -15.222 241 HG21 THR 27 HG21 THR 27 -2.337 -2.845 -16.776 242 HG22 THR 27 HG22 THR 27 -1.983 -1.547 -15.636 243 HG23 THR 27 HG23 THR 27 -3.389 -2.580 -15.387 244 H SER 28 H SER 28 0.740 -2.151 -13.929 245 HA SER 28 HA SER 28 0.955 0.055 -12.355 246 HB2 SER 28 HB2 SER 28 1.894 -0.070 -15.227 247 HB3 SER 28 HB3 SER 28 2.595 0.890 -13.925 248 HG SER 28 HG SER 28 3.406 -0.909 -12.998 249 H ASP 29 H ASP 29 -0.764 -0.243 -15.368 250 HA ASP 29 HA ASP 29 -1.269 2.439 -15.915 251 HB2 ASP 29 HB2 ASP 29 -2.932 0.008 -16.579 252 HB3 ASP 29 HB3 ASP 29 -3.191 1.609 -17.260 253 H ASP 30 H ASP 30 -3.044 0.188 -13.767 254 HA ASP 30 HA ASP 30 -5.145 2.194 -13.465 255 HB2 ASP 30 HB2 ASP 30 -5.294 -0.496 -13.515 256 HB3 ASP 30 HB3 ASP 30 -5.146 -0.243 -11.774 257 H ILE 31 H ILE 31 -2.502 0.742 -11.722 258 HA ILE 31 HA ILE 31 -3.018 1.764 -9.164 259 HB ILE 31 HB ILE 31 -0.448 0.950 -10.510 260 HG12 ILE 31 HG12 ILE 31 -1.840 -0.565 -8.343 261 HG13 ILE 31 HG13 ILE 31 -2.501 -0.624 -9.974 262 HG21 ILE 31 HG21 ILE 31 0.562 0.842 -8.303 263 HG22 ILE 31 HG22 ILE 31 -0.918 1.472 -7.579 264 HG23 ILE 31 HG23 ILE 31 0.032 2.486 -8.668 265 HD11 ILE 31 HD11 ILE 31 0.303 -1.380 -9.200 266 HD12 ILE 31 HD12 ILE 31 -0.409 -1.489 -10.812 267 HD13 ILE 31 HD13 ILE 31 -1.024 -2.502 -9.503 268 H LYS 32 H LYS 32 -1.374 3.163 -11.929 269 HA LYS 32 HA LYS 32 -0.417 5.418 -10.437 270 HB2 LYS 32 HB2 LYS 32 -0.493 4.851 -13.395 271 HB3 LYS 32 HB3 LYS 32 0.234 6.286 -12.683 272 HG2 LYS 32 HG2 LYS 32 1.927 5.054 -11.646 273 HG3 LYS 32 HG3 LYS 32 1.068 3.529 -11.868 274 HD2 LYS 32 HD2 LYS 32 1.378 3.728 -14.297 275 HD3 LYS 32 HD3 LYS 32 2.268 5.232 -14.049 276 HE2 LYS 32 HE2 LYS 32 3.077 2.630 -12.785 277 HE3 LYS 32 HE3 LYS 32 3.650 3.136 -14.376 278 HZ1 LYS 32 HZ1 LYS 32 4.588 5.119 -13.366 279 HZ2 LYS 32 HZ2 LYS 32 5.221 3.729 -12.645 280 HZ3 LYS 32 HZ3 LYS 32 4.041 4.632 -11.842 281 H LYS 33 H LYS 33 -3.078 4.883 -12.746 282 HA LYS 33 HA LYS 33 -3.972 7.545 -12.767 283 HB2 LYS 33 HB2 LYS 33 -5.515 4.995 -13.239 284 HB3 LYS 33 HB3 LYS 33 -6.120 6.610 -13.583 285 HG2 LYS 33 HG2 LYS 33 -3.982 6.834 -15.024 286 HG3 LYS 33 HG3 LYS 33 -3.960 5.074 -14.937 287 HD2 LYS 33 HD2 LYS 33 -6.414 6.571 -15.785 288 HD3 LYS 33 HD3 LYS 33 -5.153 6.110 -16.931 289 HE2 LYS 33 HE2 LYS 33 -6.456 4.150 -15.075 290 HE3 LYS 33 HE3 LYS 33 -7.098 4.502 -16.681 291 HZ1 LYS 33 HZ1 LYS 33 -5.666 2.560 -16.706 292 HZ2 LYS 33 HZ2 LYS 33 -4.381 3.464 -16.080 293 HZ3 LYS 33 HZ3 LYS 33 -4.983 3.806 -17.623 294 H SER 34 H SER 34 -5.019 4.773 -10.773 295 HA SER 34 HA SER 34 -6.991 6.068 -9.300 296 HB2 SER 34 HB2 SER 34 -6.411 4.398 -7.491 297 HB3 SER 34 HB3 SER 34 -6.751 3.705 -9.068 298 HG SER 34 HG SER 34 -4.720 3.126 -9.292 299 H TYR 35 H TYR 35 -3.500 5.973 -8.861 300 HA TYR 35 HA TYR 35 -3.255 7.339 -6.479 301 HB2 TYR 35 HB2 TYR 35 -1.258 6.507 -7.460 302 HB3 TYR 35 HB3 TYR 35 -1.526 7.397 -8.959 303 HD1 TYR 35 HD1 TYR 35 -1.149 8.111 -5.300 304 HD2 TYR 35 HD2 TYR 35 -0.230 9.291 -9.281 305 HE1 TYR 35 HE1 TYR 35 0.196 9.960 -4.432 306 HE2 TYR 35 HE2 TYR 35 1.136 11.147 -8.417 307 HH TYR 35 HH TYR 35 2.074 11.356 -5.159 308 H ARG 36 H ARG 36 -3.278 8.766 -9.739 309 HA ARG 36 HA ARG 36 -3.234 11.435 -8.974 310 HB2 ARG 36 HB2 ARG 36 -4.660 10.235 -11.358 311 HB3 ARG 36 HB3 ARG 36 -4.179 11.917 -11.186 312 HG2 ARG 36 HG2 ARG 36 -2.291 9.573 -11.291 313 HG3 ARG 36 HG3 ARG 36 -2.666 10.646 -12.639 314 HD2 ARG 36 HD2 ARG 36 -1.812 12.548 -11.313 315 HD3 ARG 36 HD3 ARG 36 -1.371 11.423 -10.030 316 HE ARG 36 HE ARG 36 -0.156 10.523 -12.360 317 HH11 ARG 36 HH11 ARG 36 -0.017 13.295 -10.234 318 HH12 ARG 36 HH12 ARG 36 1.630 13.675 -10.623 319 HH21 ARG 36 HH21 ARG 36 2.012 11.009 -12.878 320 HH22 ARG 36 HH22 ARG 36 2.789 12.370 -12.133 321 H LYS 37 H LYS 37 -6.040 9.459 -9.794 322 HA LYS 37 HA LYS 37 -8.101 11.210 -9.448 323 HB2 LYS 37 HB2 LYS 37 -7.960 8.278 -8.756 324 HB3 LYS 37 HB3 LYS 37 -9.460 9.190 -8.835 325 HG2 LYS 37 HG2 LYS 37 -9.368 9.401 -11.128 326 HG3 LYS 37 HG3 LYS 37 -7.621 9.155 -11.183 327 HD2 LYS 37 HD2 LYS 37 -9.128 7.253 -12.018 328 HD3 LYS 37 HD3 LYS 37 -7.819 6.840 -10.910 329 HE2 LYS 37 HE2 LYS 37 -9.348 6.738 -9.059 330 HE3 LYS 37 HE3 LYS 37 -10.670 7.337 -10.062 331 HZ1 LYS 37 HZ1 LYS 37 -10.530 5.318 -11.386 332 HZ2 LYS 37 HZ2 LYS 37 -10.798 4.943 -9.760 333 HZ3 LYS 37 HZ3 LYS 37 -9.258 4.746 -10.429 334 H LEU 38 H LEU 38 -6.491 9.334 -6.905 335 HA LEU 38 HA LEU 38 -8.252 10.491 -4.896 336 HB2 LEU 38 HB2 LEU 38 -6.061 8.439 -4.792 337 HB3 LEU 38 HB3 LEU 38 -6.914 9.013 -3.371 338 HG LEU 38 HG LEU 38 -8.396 7.823 -5.696 339 HD11 LEU 38 HD11 LEU 38 -8.333 5.672 -4.546 340 HD12 LEU 38 HD12 LEU 38 -7.235 6.348 -3.341 341 HD13 LEU 38 HD13 LEU 38 -6.717 6.202 -5.023 342 HD21 LEU 38 HD21 LEU 38 -9.704 9.064 -4.050 343 HD22 LEU 38 HD22 LEU 38 -9.024 8.081 -2.754 344 HD23 LEU 38 HD23 LEU 38 -10.066 7.341 -3.968 345 H ALA 39 H ALA 39 -4.979 10.762 -6.013 346 HA ALA 39 HA ALA 39 -3.672 11.922 -3.884 347 HB1 ALA 39 HB1 ALA 39 -3.260 12.603 -6.784 348 HB2 ALA 39 HB2 ALA 39 -2.585 11.200 -5.957 349 HB3 ALA 39 HB3 ALA 39 -2.100 12.828 -5.474 350 H LEU 40 H LEU 40 -5.489 13.673 -6.437 351 HA LEU 40 HA LEU 40 -4.987 16.141 -5.063 352 HB2 LEU 40 HB2 LEU 40 -6.945 16.976 -6.637 353 HB3 LEU 40 HB3 LEU 40 -5.296 16.819 -7.179 354 HG LEU 40 HG LEU 40 -7.120 16.069 -8.756 355 HD11 LEU 40 HD11 LEU 40 -4.878 15.515 -9.244 356 HD12 LEU 40 HD12 LEU 40 -5.838 14.053 -9.492 357 HD13 LEU 40 HD13 LEU 40 -4.863 14.233 -8.036 358 HD21 LEU 40 HD21 LEU 40 -7.206 13.629 -7.011 359 HD22 LEU 40 HD22 LEU 40 -8.064 13.888 -8.528 360 HD23 LEU 40 HD23 LEU 40 -8.478 14.846 -7.107 361 H LYS 41 H LYS 41 -7.746 13.987 -5.356 362 HA LYS 41 HA LYS 41 -9.656 15.255 -3.876 363 HB2 LYS 41 HB2 LYS 41 -10.070 13.109 -4.899 364 HB3 LYS 41 HB3 LYS 41 -8.881 12.336 -3.863 365 HG2 LYS 41 HG2 LYS 41 -10.299 12.851 -1.909 366 HG3 LYS 41 HG3 LYS 41 -11.516 13.510 -3.004 367 HD2 LYS 41 HD2 LYS 41 -11.738 11.337 -4.086 368 HD3 LYS 41 HD3 LYS 41 -10.477 10.675 -3.048 369 HE2 LYS 41 HE2 LYS 41 -11.827 10.978 -1.102 370 HE3 LYS 41 HE3 LYS 41 -13.050 11.850 -2.021 371 HZ1 LYS 41 HZ1 LYS 41 -13.463 9.796 -3.275 372 HZ2 LYS 41 HZ2 LYS 41 -13.765 9.609 -1.622 373 HZ3 LYS 41 HZ3 LYS 41 -12.352 8.976 -2.297 374 H TYR 42 H TYR 42 -6.869 13.452 -2.641 375 HA TYR 42 HA TYR 42 -7.512 14.402 0.069 376 HB2 TYR 42 HB2 TYR 42 -5.860 12.074 -0.905 377 HB3 TYR 42 HB3 TYR 42 -5.810 12.638 0.764 378 HD1 TYR 42 HD2 TYR 42 -7.805 12.452 2.188 379 HD2 TYR 42 HD1 TYR 42 -7.724 10.792 -1.723 380 HE1 TYR 42 HE2 TYR 42 -9.745 11.058 2.749 381 HE2 TYR 42 HE1 TYR 42 -9.666 9.395 -1.175 382 HH TYR 42 HH TYR 42 -11.478 9.834 1.746 383 H HIS 43 H HIS 43 -6.165 15.921 -2.129 384 HA HIS 43 HA HIS 43 -3.419 16.155 -1.563 385 HB2 HIS 43 HB2 HIS 43 -5.009 17.172 -3.488 386 HB3 HIS 43 HB3 HIS 43 -4.875 18.581 -2.440 387 HD1 HIS 43 HD1 HIS 43 -3.039 20.076 -3.132 388 HD2 HIS 43 HD2 HIS 43 -2.175 16.093 -3.963 389 HE1 HIS 43 HE1 HIS 43 -0.757 20.082 -4.188 390 HE2 HIS 43 HE2 HIS 43 -0.322 17.681 -4.818 391 HA PRO 44 HA PRO 44 -3.119 17.701 2.473 392 HB2 PRO 44 HB2 PRO 44 -1.340 19.828 1.907 393 HB3 PRO 44 HB3 PRO 44 -0.928 18.200 2.440 394 HG2 PRO 44 HG2 PRO 44 -0.985 19.351 -0.297 395 HG3 PRO 44 HG3 PRO 44 0.078 18.100 0.378 396 HD2 PRO 44 HD2 PRO 44 -1.880 17.472 -1.290 397 HD3 PRO 44 HD3 PRO 44 -1.534 16.435 0.109 398 H ASP 45 H ASP 45 -3.707 20.194 0.014 399 HA ASP 45 HA ASP 45 -4.380 22.196 1.931 400 HB2 ASP 45 HB2 ASP 45 -3.566 22.852 -0.269 401 HB3 ASP 45 HB3 ASP 45 -4.926 22.048 -1.040 402 H LYS 46 H LYS 46 -6.049 19.567 0.591 403 HA LYS 46 HA LYS 46 -8.702 20.666 0.960 404 HB2 LYS 46 HB2 LYS 46 -7.803 17.836 0.410 405 HB3 LYS 46 HB3 LYS 46 -9.433 18.448 0.262 406 HG2 LYS 46 HG2 LYS 46 -8.288 20.135 -1.389 407 HG3 LYS 46 HG3 LYS 46 -7.087 18.856 -1.488 408 HD2 LYS 46 HD2 LYS 46 -8.772 17.259 -2.158 409 HD3 LYS 46 HD3 LYS 46 -10.040 18.468 -1.957 410 HE2 LYS 46 HE2 LYS 46 -7.748 18.741 -3.891 411 HE3 LYS 46 HE3 LYS 46 -9.316 18.063 -4.327 412 HZ1 LYS 46 HZ1 LYS 46 -8.801 20.817 -3.330 413 HZ2 LYS 46 HZ2 LYS 46 -10.332 20.182 -3.663 414 HZ3 LYS 46 HZ3 LYS 46 -9.213 20.385 -4.914 415 H ASN 47 H ASN 47 -6.589 20.068 3.200 416 HA ASN 47 HA ASN 47 -8.166 18.118 4.729 417 HB2 ASN 47 HB2 ASN 47 -5.266 18.827 5.108 418 HB3 ASN 47 HB3 ASN 47 -6.142 17.561 5.931 419 HD21 ASN 47 HD21 ASN 47 -6.333 18.297 2.482 420 HD22 ASN 47 HD22 ASN 47 -5.675 16.782 1.975 421 HA PRO 48 HA PRO 48 -8.807 21.419 7.722 422 HB2 PRO 48 HB2 PRO 48 -10.154 19.280 9.192 423 HB3 PRO 48 HB3 PRO 48 -10.810 20.806 8.595 424 HG2 PRO 48 HG2 PRO 48 -11.492 18.434 7.512 425 HG3 PRO 48 HG3 PRO 48 -11.366 19.914 6.542 426 HD2 PRO 48 HD2 PRO 48 -9.402 17.661 6.822 427 HD3 PRO 48 HD3 PRO 48 -9.906 18.547 5.366 428 H ASP 49 H ASP 49 -9.166 20.350 10.349 429 HA ASP 49 HA ASP 49 -6.486 20.516 11.195 430 HB2 ASP 49 HB2 ASP 49 -8.518 21.314 12.383 431 HB3 ASP 49 HB3 ASP 49 -8.900 19.642 12.768 432 H ASN 50 H ASN 50 -8.569 17.844 10.487 433 HA ASN 50 HA ASN 50 -7.020 15.874 11.877 434 HB2 ASN 50 HB2 ASN 50 -8.435 14.238 10.707 435 HB3 ASN 50 HB3 ASN 50 -9.400 15.491 11.469 436 HD21 ASN 50 HD21 ASN 50 -9.877 13.649 9.171 437 HD22 ASN 50 HD22 ASN 50 -10.341 14.680 7.860 438 HA PRO 51 HA PRO 51 -4.032 15.405 8.561 439 HB2 PRO 51 HB2 PRO 51 -2.387 13.721 9.824 440 HB3 PRO 51 HB3 PRO 51 -2.503 15.418 10.304 441 HG2 PRO 51 HG2 PRO 51 -3.733 13.004 11.566 442 HG3 PRO 51 HG3 PRO 51 -2.976 14.406 12.339 443 HD2 PRO 51 HD2 PRO 51 -5.701 14.065 12.037 444 HD3 PRO 51 HD3 PRO 51 -4.902 15.634 12.252 445 H GLU 52 H GLU 52 -6.523 13.631 9.037 446 HA GLU 52 HA GLU 52 -5.791 10.935 8.555 447 HB2 GLU 52 HB2 GLU 52 -7.947 11.637 9.545 448 HB3 GLU 52 HB3 GLU 52 -8.385 12.378 8.006 449 HG2 GLU 52 HG2 GLU 52 -8.390 10.227 6.927 450 HG3 GLU 52 HG3 GLU 52 -7.820 9.446 8.400 451 H ALA 53 H ALA 53 -7.038 13.530 6.549 452 HA ALA 53 HA ALA 53 -7.090 12.082 4.137 453 HB1 ALA 53 HB1 ALA 53 -8.393 14.121 4.645 454 HB2 ALA 53 HB2 ALA 53 -7.524 14.216 3.109 455 HB3 ALA 53 HB3 ALA 53 -6.906 15.064 4.529 456 H ALA 54 H ALA 54 -4.619 13.822 5.831 457 HA ALA 54 HA ALA 54 -2.735 13.977 3.699 458 HB1 ALA 54 HB1 ALA 54 -2.354 14.084 6.692 459 HB2 ALA 54 HB2 ALA 54 -2.549 15.461 5.606 460 HB3 ALA 54 HB3 ALA 54 -1.106 14.451 5.501 461 H ASP 55 H ASP 55 -3.312 11.760 6.375 462 HA ASP 55 HA ASP 55 -1.234 9.928 5.900 463 HB2 ASP 55 HB2 ASP 55 -3.198 10.162 7.753 464 HB3 ASP 55 HB3 ASP 55 -3.835 8.853 6.778 465 H LYS 56 H LYS 56 -4.508 10.178 4.795 466 HA LYS 56 HA LYS 56 -4.748 7.982 3.141 467 HB2 LYS 56 HB2 LYS 56 -5.912 10.633 3.448 468 HB3 LYS 56 HB3 LYS 56 -6.090 9.964 1.825 469 HG2 LYS 56 HG2 LYS 56 -7.086 8.839 4.427 470 HG3 LYS 56 HG3 LYS 56 -8.020 9.452 3.067 471 HD2 LYS 56 HD2 LYS 56 -6.367 6.936 3.156 472 HD3 LYS 56 HD3 LYS 56 -8.120 7.062 3.033 473 HE2 LYS 56 HE2 LYS 56 -7.874 8.125 0.826 474 HE3 LYS 56 HE3 LYS 56 -6.122 7.952 0.956 475 HZ1 LYS 56 HZ1 LYS 56 -6.455 5.529 1.150 476 HZ2 LYS 56 HZ2 LYS 56 -6.983 6.151 -0.339 477 HZ3 LYS 56 HZ3 LYS 56 -8.110 5.752 0.855 478 H PHE 57 H PHE 57 -3.886 11.292 2.138 479 HA PHE 57 HA PHE 57 -3.043 10.723 -0.417 480 HB2 PHE 57 HB2 PHE 57 -3.209 13.017 0.480 481 HB3 PHE 57 HB3 PHE 57 -1.751 12.731 1.430 482 HD1 PHE 57 HD1 PHE 57 -2.088 11.404 -1.962 483 HD2 PHE 57 HD2 PHE 57 -0.583 14.605 0.404 484 HE1 PHE 57 HE1 PHE 57 -0.706 12.159 -3.853 485 HE2 PHE 57 HE2 PHE 57 0.799 15.354 -1.465 486 HZ PHE 57 HZ PHE 57 0.724 14.141 -3.618 487 H LYS 58 H LYS 58 -1.244 10.432 2.550 488 HA LYS 58 HA LYS 58 1.271 9.805 1.547 489 HB2 LYS 58 HB2 LYS 58 0.597 10.322 3.895 490 HB3 LYS 58 HB3 LYS 58 -0.028 8.688 4.023 491 HG2 LYS 58 HG2 LYS 58 2.252 7.841 3.553 492 HG3 LYS 58 HG3 LYS 58 2.831 9.511 3.602 493 HD2 LYS 58 HD2 LYS 58 1.597 7.896 5.823 494 HD3 LYS 58 HD3 LYS 58 3.203 8.621 5.771 495 HE2 LYS 58 HE2 LYS 58 2.296 10.823 5.953 496 HE3 LYS 58 HE3 LYS 58 0.649 10.233 5.719 497 HZ1 LYS 58 HZ1 LYS 58 2.362 9.500 8.032 498 HZ2 LYS 58 HZ2 LYS 58 0.717 9.149 7.828 499 HZ3 LYS 58 HZ3 LYS 58 1.222 10.748 8.058 500 H GLU 59 H GLU 59 -1.390 7.592 2.458 501 HA GLU 59 HA GLU 59 0.012 5.266 1.648 502 HB2 GLU 59 HB2 GLU 59 -2.273 4.184 1.759 503 HB3 GLU 59 HB3 GLU 59 -1.649 4.883 3.235 504 HG2 GLU 59 HG2 GLU 59 -3.034 6.821 2.936 505 HG3 GLU 59 HG3 GLU 59 -3.607 6.202 1.393 506 H ILE 60 H ILE 60 -2.249 7.401 -0.051 507 HA ILE 60 HA ILE 60 -2.557 5.849 -2.398 508 HB ILE 60 HB ILE 60 -2.270 8.853 -2.449 509 HG12 ILE 60 HG12 ILE 60 -4.871 7.414 -1.952 510 HG13 ILE 60 HG13 ILE 60 -3.889 8.073 -0.645 511 HG21 ILE 60 HG21 ILE 60 -4.220 7.285 -4.056 512 HG22 ILE 60 HG22 ILE 60 -2.520 7.270 -4.507 513 HG23 ILE 60 HG23 ILE 60 -3.398 8.799 -4.441 514 HD11 ILE 60 HD11 ILE 60 -4.025 10.293 -1.813 515 HD12 ILE 60 HD12 ILE 60 -5.545 9.688 -1.159 516 HD13 ILE 60 HD13 ILE 60 -5.214 9.572 -2.888 517 H ASN 61 H ASN 61 -0.290 8.388 -1.527 518 HA ASN 61 HA ASN 61 1.189 8.395 -3.911 519 HB2 ASN 61 HB2 ASN 61 1.019 10.201 -2.139 520 HB3 ASN 61 HB3 ASN 61 2.147 9.245 -1.171 521 HD21 ASN 61 HD21 ASN 61 3.656 10.859 -1.197 522 HD22 ASN 61 HD22 ASN 61 4.604 11.234 -2.594 523 H ASN 62 H ASN 62 1.444 6.525 -0.969 524 HA ASN 62 HA ASN 62 3.971 5.354 -1.603 525 HB2 ASN 62 HB2 ASN 62 2.808 5.463 0.705 526 HB3 ASN 62 HB3 ASN 62 1.922 4.042 0.156 527 HD21 ASN 62 HD21 ASN 62 2.836 2.598 1.550 528 HD22 ASN 62 HD22 ASN 62 4.505 2.159 1.541 529 H ALA 63 H ALA 63 0.653 4.074 -1.666 530 HA ALA 63 HA ALA 63 1.145 1.608 -2.803 531 HB1 ALA 63 HB1 ALA 63 -1.012 2.259 -1.878 532 HB2 ALA 63 HB2 ALA 63 -1.191 1.621 -3.512 533 HB3 ALA 63 HB3 ALA 63 -1.269 3.361 -3.233 534 H HIS 64 H HIS 64 0.766 4.714 -4.384 535 HA HIS 64 HA HIS 64 0.594 4.044 -7.037 536 HB2 HIS 64 HB2 HIS 64 0.508 6.336 -6.309 537 HB3 HIS 64 HB3 HIS 64 2.159 6.261 -5.709 538 HD1 HIS 64 HD1 HIS 64 0.261 6.202 -8.988 539 HD2 HIS 64 HD2 HIS 64 4.063 6.991 -7.519 540 HE1 HIS 64 HE1 HIS 64 1.546 7.162 -10.921 541 HE2 HIS 64 HE2 HIS 64 3.797 7.766 -9.971 542 H ALA 65 H ALA 65 3.467 4.010 -4.985 543 HA ALA 65 HA ALA 65 5.136 3.225 -7.242 544 HB1 ALA 65 HB1 ALA 65 5.864 3.704 -4.354 545 HB2 ALA 65 HB2 ALA 65 6.019 4.870 -5.668 546 HB3 ALA 65 HB3 ALA 65 6.997 3.402 -5.671 547 H ILE 66 H ILE 66 3.810 1.923 -4.259 548 HA ILE 66 HA ILE 66 5.425 -0.316 -3.971 549 HB ILE 66 HB ILE 66 2.511 -0.299 -3.218 550 HG12 ILE 66 HG12 ILE 66 3.416 1.772 -2.379 551 HG13 ILE 66 HG13 ILE 66 3.249 0.651 -1.034 552 HG21 ILE 66 HG21 ILE 66 3.616 -2.432 -2.953 553 HG22 ILE 66 HG22 ILE 66 3.296 -1.728 -1.366 554 HG23 ILE 66 HG23 ILE 66 4.926 -1.676 -2.044 555 HD11 ILE 66 HD11 ILE 66 5.804 1.253 -2.491 556 HD12 ILE 66 HD12 ILE 66 5.614 0.200 -1.083 557 HD13 ILE 66 HD13 ILE 66 5.317 1.933 -0.937 558 H LEU 67 H LEU 67 2.205 -0.167 -5.519 559 HA LEU 67 HA LEU 67 2.155 -2.984 -5.909 560 HB2 LEU 67 HB2 LEU 67 0.427 -0.808 -7.065 561 HB3 LEU 67 HB3 LEU 67 0.146 -2.513 -7.332 562 HG LEU 67 HG LEU 67 -1.148 -2.530 -5.535 563 HD11 LEU 67 HD11 LEU 67 -0.193 -2.361 -3.292 564 HD12 LEU 67 HD12 LEU 67 1.296 -1.713 -3.979 565 HD13 LEU 67 HD13 LEU 67 0.795 -3.362 -4.356 566 HD21 LEU 67 HD21 LEU 67 -1.509 -0.159 -5.932 567 HD22 LEU 67 HD22 LEU 67 -0.135 0.229 -4.894 568 HD23 LEU 67 HD23 LEU 67 -1.568 -0.541 -4.210 569 H THR 68 H THR 68 3.477 -0.418 -7.769 570 HA THR 68 HA THR 68 3.713 -2.218 -10.073 571 HB THR 68 HB THR 68 2.692 -0.091 -10.668 572 HG1 THR 68 HG1 THR 68 5.362 -0.439 -11.590 573 HG21 THR 68 HG21 THR 68 5.214 1.179 -9.620 574 HG22 THR 68 HG22 THR 68 3.613 1.286 -8.887 575 HG23 THR 68 HG23 THR 68 3.909 2.009 -10.467 576 H ASP 69 H ASP 69 5.341 -1.723 -7.396 577 HA ASP 69 HA ASP 69 7.976 -1.778 -8.704 578 HB2 ASP 69 HB2 ASP 69 7.662 -0.120 -6.845 579 HB3 ASP 69 HB3 ASP 69 7.361 -1.480 -5.756 580 H ALA 70 H ALA 70 9.254 -3.575 -8.521 581 HA ALA 70 HA ALA 70 7.967 -6.044 -8.112 582 HB1 ALA 70 HB1 ALA 70 10.918 -5.444 -8.251 583 HB2 ALA 70 HB2 ALA 70 9.864 -5.794 -9.621 584 HB3 ALA 70 HB3 ALA 70 10.180 -7.038 -8.410 585 H THR 71 H THR 71 10.471 -4.401 -6.180 586 HA THR 71 HA THR 71 10.478 -6.492 -4.224 587 HB THR 71 HB THR 71 11.831 -3.797 -4.275 588 HG1 THR 71 HG1 THR 71 13.495 -4.900 -5.095 589 HG21 THR 71 HG21 THR 71 11.411 -4.564 -1.970 590 HG22 THR 71 HG22 THR 71 13.129 -4.551 -2.373 591 HG23 THR 71 HG23 THR 71 12.242 -6.075 -2.340 592 H LYS 72 H LYS 72 9.242 -3.141 -4.295 593 HA LYS 72 HA LYS 72 8.528 -3.001 -1.587 594 HB2 LYS 72 HB2 LYS 72 8.170 -1.398 -3.917 595 HB3 LYS 72 HB3 LYS 72 6.613 -1.573 -3.130 596 HG2 LYS 72 HG2 LYS 72 7.267 0.170 -1.909 597 HG3 LYS 72 HG3 LYS 72 8.177 -1.024 -0.996 598 HD2 LYS 72 HD2 LYS 72 9.509 0.949 -1.578 599 HD3 LYS 72 HD3 LYS 72 10.162 -0.527 -2.297 600 HE2 LYS 72 HE2 LYS 72 9.273 0.029 -4.429 601 HE3 LYS 72 HE3 LYS 72 8.332 1.362 -3.757 602 HZ1 LYS 72 HZ1 LYS 72 10.428 2.476 -3.218 603 HZ2 LYS 72 HZ2 LYS 72 10.277 2.186 -4.877 604 HZ3 LYS 72 HZ3 LYS 72 11.297 1.210 -3.938 605 H ARG 73 H ARG 73 6.963 -4.421 -4.329 606 HA ARG 73 HA ARG 73 4.538 -5.014 -2.858 607 HB2 ARG 73 HB2 ARG 73 4.310 -4.568 -5.220 608 HB3 ARG 73 HB3 ARG 73 5.502 -5.800 -5.611 609 HG2 ARG 73 HG2 ARG 73 3.992 -7.514 -4.745 610 HG3 ARG 73 HG3 ARG 73 2.779 -6.270 -4.422 611 HD2 ARG 73 HD2 ARG 73 2.265 -7.326 -6.521 612 HD3 ARG 73 HD3 ARG 73 2.818 -5.680 -6.830 613 HE ARG 73 HE ARG 73 4.735 -7.888 -7.025 614 HH11 ARG 73 HH11 ARG 73 2.878 -5.361 -8.593 615 HH12 ARG 73 HH12 ARG 73 3.750 -5.480 -10.085 616 HH21 ARG 73 HH21 ARG 73 5.882 -8.041 -8.989 617 HH22 ARG 73 HH22 ARG 73 5.460 -7.000 -10.311 618 H ASN 74 H ASN 74 7.449 -6.554 -3.930 619 HA ASN 74 HA ASN 74 6.995 -9.201 -3.368 620 HB2 ASN 74 HB2 ASN 74 9.057 -8.316 -4.418 621 HB3 ASN 74 HB3 ASN 74 9.555 -7.687 -2.850 622 HD21 ASN 74 HD21 ASN 74 9.991 -9.197 -1.166 623 HD22 ASN 74 HD22 ASN 74 10.560 -10.779 -1.557 624 H ILE 75 H ILE 75 8.574 -6.923 -1.066 625 HA ILE 75 HA ILE 75 8.401 -8.838 1.033 626 HB ILE 75 HB ILE 75 9.268 -7.279 2.540 627 HG12 ILE 75 HG12 ILE 75 7.634 -5.465 2.149 628 HG13 ILE 75 HG13 ILE 75 9.286 -4.875 2.268 629 HG21 ILE 75 HG21 ILE 75 10.817 -7.917 0.787 630 HG22 ILE 75 HG22 ILE 75 11.162 -6.308 1.417 631 HG23 ILE 75 HG23 ILE 75 10.356 -6.489 -0.143 632 HD11 ILE 75 HD11 ILE 75 7.754 -5.298 -0.282 633 HD12 ILE 75 HD12 ILE 75 9.392 -4.648 -0.141 634 HD13 ILE 75 HD13 ILE 75 8.026 -3.749 0.521 635 H TYR 76 H TYR 76 6.315 -6.287 -0.070 636 HA TYR 76 HA TYR 76 4.606 -6.016 2.104 637 HB2 TYR 76 HB2 TYR 76 4.234 -4.473 0.416 638 HB3 TYR 76 HB3 TYR 76 4.336 -5.683 -0.856 639 HD1 TYR 76 HD1 TYR 76 2.412 -7.040 -1.439 640 HD2 TYR 76 HD2 TYR 76 2.143 -4.037 1.560 641 HE1 TYR 76 HE1 TYR 76 -0.031 -7.149 -1.569 642 HE2 TYR 76 HE2 TYR 76 -0.310 -4.132 1.439 643 HH TYR 76 HH TYR 76 -1.977 -6.606 -0.227 644 H ASP 77 H ASP 77 4.542 -8.286 -0.581 645 HA ASP 77 HA ASP 77 2.235 -9.686 0.446 646 HB2 ASP 77 HB2 ASP 77 2.368 -9.534 -1.913 647 HB3 ASP 77 HB3 ASP 77 4.046 -10.072 -1.933 648 H LYS 78 H LYS 78 5.650 -9.908 0.697 649 HA LYS 78 HA LYS 78 5.728 -12.672 1.494 650 HB2 LYS 78 HB2 LYS 78 7.641 -10.610 0.866 651 HB3 LYS 78 HB3 LYS 78 8.079 -11.392 2.375 652 HG2 LYS 78 HG2 LYS 78 9.207 -12.680 0.858 653 HG3 LYS 78 HG3 LYS 78 7.707 -13.589 1.019 654 HD2 LYS 78 HD2 LYS 78 8.349 -11.626 -1.187 655 HD3 LYS 78 HD3 LYS 78 8.416 -13.382 -1.324 656 HE2 LYS 78 HE2 LYS 78 5.991 -13.439 -0.735 657 HE3 LYS 78 HE3 LYS 78 5.991 -11.678 -0.817 658 HZ1 LYS 78 HZ1 LYS 78 5.195 -12.649 -2.862 659 HZ2 LYS 78 HZ2 LYS 78 6.638 -13.515 -3.058 660 HZ3 LYS 78 HZ3 LYS 78 6.647 -11.826 -3.137 661 H TYR 79 H TYR 79 6.416 -9.626 3.225 662 HA TYR 79 HA TYR 79 5.525 -10.925 5.714 663 HB2 TYR 79 HB2 TYR 79 7.878 -9.040 5.616 664 HB3 TYR 79 HB3 TYR 79 7.374 -10.076 6.946 665 HD1 TYR 79 HD2 TYR 79 7.482 -12.626 6.526 666 HD2 TYR 79 HD1 TYR 79 9.562 -9.763 4.164 667 HE1 TYR 79 HE2 TYR 79 9.035 -14.378 5.783 668 HE2 TYR 79 HE1 TYR 79 11.121 -11.510 3.414 669 HH TYR 79 HH TYR 79 10.546 -14.826 3.914 670 H GLY 80 H GLY 80 6.627 -7.772 4.434 671 HA2 GLY 80 HA2 GLY 80 5.254 -5.940 3.996 672 HA3 GLY 80 HA3 GLY 80 3.952 -6.719 4.884 673 H SER 81 H SER 81 5.409 -7.135 7.328 674 HA SER 81 HA SER 81 4.686 -4.703 8.528 675 HB2 SER 81 HB2 SER 81 4.696 -6.987 9.619 676 HB3 SER 81 HB3 SER 81 6.439 -6.808 9.795 677 HG SER 81 HG SER 81 6.160 -5.380 11.333 678 H LEU 82 H LEU 82 7.966 -6.146 8.567 679 HA LEU 82 HA LEU 82 9.089 -3.548 9.135 680 HB2 LEU 82 HB2 LEU 82 10.118 -5.324 10.287 681 HB3 LEU 82 HB3 LEU 82 10.249 -6.301 8.841 682 HG LEU 82 HG LEU 82 11.987 -4.796 7.971 683 HD11 LEU 82 HD11 LEU 82 11.304 -2.720 9.034 684 HD12 LEU 82 HD12 LEU 82 12.983 -3.093 9.418 685 HD13 LEU 82 HD13 LEU 82 11.720 -3.376 10.618 686 HD21 LEU 82 HD21 LEU 82 12.518 -5.824 10.754 687 HD22 LEU 82 HD22 LEU 82 13.746 -5.419 9.552 688 HD23 LEU 82 HD23 LEU 82 12.629 -6.752 9.258 689 H GLY 83 H GLY 83 9.648 -5.970 6.590 690 HA2 GLY 83 HA2 GLY 83 11.543 -4.678 5.121 691 HA3 GLY 83 HA3 GLY 83 10.377 -5.784 4.425 692 H LEU 84 H LEU 84 8.077 -4.085 4.903 693 HA LEU 84 HA LEU 84 8.271 -2.568 2.494 694 HB2 LEU 84 HB2 LEU 84 6.188 -3.666 3.208 695 HB3 LEU 84 HB3 LEU 84 6.095 -2.590 4.587 696 HG LEU 84 HG LEU 84 5.876 -0.668 3.024 697 HD11 LEU 84 HD11 LEU 84 6.964 -1.599 1.074 698 HD12 LEU 84 HD12 LEU 84 5.310 -1.136 0.676 699 HD13 LEU 84 HD13 LEU 84 5.713 -2.834 0.933 700 HD21 LEU 84 HD21 LEU 84 3.565 -1.130 2.402 701 HD22 LEU 84 HD22 LEU 84 3.912 -1.711 4.030 702 HD23 LEU 84 HD23 LEU 84 3.824 -2.851 2.688 703 H TYR 85 H TYR 85 7.777 -1.645 5.890 704 HA TYR 85 HA TYR 85 7.717 1.123 5.415 705 HB2 TYR 85 HB2 TYR 85 7.036 1.119 7.544 706 HB3 TYR 85 HB3 TYR 85 7.363 -0.606 7.612 707 HD1 TYR 85 HD2 TYR 85 9.552 -1.409 8.509 708 HD2 TYR 85 HD1 TYR 85 8.412 2.690 8.686 709 HE1 TYR 85 HE2 TYR 85 11.257 -1.010 10.233 710 HE2 TYR 85 HE1 TYR 85 10.122 3.094 10.407 711 HH TYR 85 HH TYR 85 12.563 0.832 11.132 712 H VAL 86 H VAL 86 10.367 -1.079 6.135 713 HA VAL 86 HA VAL 86 12.253 1.005 6.609 714 HB VAL 86 HB VAL 86 12.693 -1.079 7.659 715 HG11 VAL 86 HG11 VAL 86 11.478 -2.509 6.094 716 HG12 VAL 86 HG12 VAL 86 13.074 -3.142 6.492 717 HG13 VAL 86 HG13 VAL 86 12.804 -2.350 4.938 718 HG21 VAL 86 HG21 VAL 86 14.937 -1.707 6.695 719 HG22 VAL 86 HG22 VAL 86 14.718 -0.007 7.123 720 HG23 VAL 86 HG23 VAL 86 14.622 -0.510 5.435 721 H ALA 87 H ALA 87 11.358 -0.953 3.791 722 HA ALA 87 HA ALA 87 13.516 -0.084 2.159 723 HB1 ALA 87 HB1 ALA 87 10.825 -1.098 1.282 724 HB2 ALA 87 HB2 ALA 87 12.222 -2.102 1.674 725 HB3 ALA 87 HB3 ALA 87 12.289 -0.994 0.305 726 H GLU 88 H GLU 88 10.324 1.179 2.833 727 HA GLU 88 HA GLU 88 10.134 3.058 0.757 728 HB2 GLU 88 HB2 GLU 88 9.028 3.079 3.560 729 HB3 GLU 88 HB3 GLU 88 8.612 4.280 2.350 730 HG2 GLU 88 HG2 GLU 88 7.626 2.581 0.949 731 HG3 GLU 88 HG3 GLU 88 8.121 1.325 2.086 732 H GLN 89 H GLN 89 11.207 3.516 4.115 733 HA GLN 89 HA GLN 89 11.954 6.247 3.500 734 HB2 GLN 89 HB2 GLN 89 12.037 4.730 6.109 735 HB3 GLN 89 HB3 GLN 89 12.322 6.456 5.920 736 HG2 GLN 89 HG2 GLN 89 10.035 6.725 5.073 737 HG3 GLN 89 HG3 GLN 89 9.756 5.003 5.317 738 HE21 GLN 89 HE21 GLN 89 9.538 4.210 7.405 739 HE22 GLN 89 HE22 GLN 89 9.253 5.247 8.758 740 H PHE 90 H PHE 90 13.546 3.207 4.302 741 HA PHE 90 HA PHE 90 16.120 4.563 4.477 742 HB2 PHE 90 HB2 PHE 90 15.327 1.690 4.982 743 HB3 PHE 90 HB3 PHE 90 16.993 2.272 5.055 744 HD1 PHE 90 HD1 PHE 90 13.643 2.602 6.585 745 HD2 PHE 90 HD2 PHE 90 17.811 3.368 6.967 746 HE1 PHE 90 HE1 PHE 90 13.306 3.234 8.939 747 HE2 PHE 90 HE2 PHE 90 17.483 4.002 9.321 748 HZ PHE 90 HZ PHE 90 15.228 3.934 10.310 749 H GLY 91 H GLY 91 14.353 2.388 2.332 750 HA2 GLY 91 HA2 GLY 91 14.928 2.554 -0.041 751 HA3 GLY 91 HA3 GLY 91 16.619 2.637 0.447 752 H GLU 92 H GLU 92 14.789 0.703 -1.155 753 HA GLU 92 HA GLU 92 14.471 -1.693 0.259 754 HB2 GLU 92 HB2 GLU 92 15.055 -1.611 -2.692 755 HB3 GLU 92 HB3 GLU 92 14.000 -2.703 -1.810 756 HG2 GLU 92 HG2 GLU 92 12.268 -1.247 -1.783 757 HG3 GLU 92 HG3 GLU 92 13.322 0.168 -1.782 758 H GLU 93 H GLU 93 17.046 -0.678 -1.945 759 HA GLU 93 HA GLU 93 18.579 -3.047 -1.705 760 HB2 GLU 93 HB2 GLU 93 20.383 -1.720 -2.738 761 HB3 GLU 93 HB3 GLU 93 18.855 -1.559 -3.593 762 HG2 GLU 93 HG2 GLU 93 18.513 0.571 -2.247 763 HG3 GLU 93 HG3 GLU 93 20.212 0.429 -1.807 764 H ASN 94 H ASN 94 18.139 -0.410 0.378 765 HA ASN 94 HA ASN 94 20.705 -0.657 1.696 766 HB2 ASN 94 HB2 ASN 94 18.312 1.113 2.068 767 HB3 ASN 94 HB3 ASN 94 19.563 1.025 3.297 768 HD21 ASN 94 HD21 ASN 94 18.747 3.271 1.655 769 HD22 ASN 94 HD22 ASN 94 20.149 3.765 0.769 770 H VAL 95 H VAL 95 17.355 -1.453 2.283 771 HA VAL 95 HA VAL 95 17.173 -1.934 4.931 772 HB VAL 95 HB VAL 95 15.394 -3.441 4.579 773 HG11 VAL 95 HG11 VAL 95 14.027 -2.325 2.963 774 HG12 VAL 95 HG12 VAL 95 15.451 -1.675 2.154 775 HG13 VAL 95 HG13 VAL 95 15.042 -1.138 3.778 776 HG21 VAL 95 HG21 VAL 95 16.558 -5.053 3.136 777 HG22 VAL 95 HG22 VAL 95 16.405 -3.931 1.782 778 HG23 VAL 95 HG23 VAL 95 14.960 -4.633 2.514 779 H ASN 96 H ASN 96 18.897 -3.958 2.676 780 HA ASN 96 HA ASN 96 19.072 -6.343 4.104 781 HB2 ASN 96 HB2 ASN 96 19.804 -5.880 1.735 782 HB3 ASN 96 HB3 ASN 96 21.262 -5.151 2.400 783 HD21 ASN 96 HD21 ASN 96 22.805 -6.475 3.391 784 HD22 ASN 96 HD22 ASN 96 22.805 -8.192 3.183 785 H THR 97 H THR 97 20.397 -3.287 4.807 786 HA THR 97 HA THR 97 22.651 -4.091 6.334 787 HB THR 97 HB THR 97 22.390 -1.800 5.449 788 HG1 THR 97 HG1 THR 97 23.390 -2.433 7.720 789 HG21 THR 97 HG21 THR 97 20.880 -0.204 6.597 790 HG22 THR 97 HG22 THR 97 20.164 -1.558 7.474 791 HG23 THR 97 HG23 THR 97 20.012 -1.465 5.716 792 H TYR 98 H TYR 98 19.281 -3.447 7.105 793 HA TYR 98 HA TYR 98 19.722 -4.043 9.922 794 HB2 TYR 98 HB2 TYR 98 18.262 -2.144 9.249 795 HB3 TYR 98 HB3 TYR 98 17.172 -3.293 8.467 796 HD1 TYR 98 HD2 TYR 98 18.746 -2.631 11.797 797 HD2 TYR 98 HD1 TYR 98 15.362 -4.076 9.666 798 HE1 TYR 98 HE2 TYR 98 17.539 -2.928 13.920 799 HE2 TYR 98 HE1 TYR 98 14.149 -4.377 11.780 800 HH TYR 98 HH TYR 98 15.197 -3.046 14.704 801 H PHE 99 H PHE 99 18.728 -5.509 7.023 802 HA PHE 99 HA PHE 99 17.468 -7.773 8.321 803 HB2 PHE 99 HB2 PHE 99 17.970 -6.971 5.474 804 HB3 PHE 99 HB3 PHE 99 17.532 -8.627 5.849 805 HD1 PHE 99 HD2 PHE 99 16.408 -5.161 5.782 806 HD2 PHE 99 HD1 PHE 99 15.315 -9.185 6.600 807 HE1 PHE 99 HE2 PHE 99 14.031 -4.505 5.807 808 HE2 PHE 99 HE1 PHE 99 12.945 -8.548 6.628 809 HZ PHE 99 HZ PHE 99 12.282 -6.229 6.175 810 H VAL 100 H VAL 100 18.411 -9.814 6.730 811 HA VAL 100 HA VAL 100 20.550 -10.787 8.136 812 HB VAL 100 HB VAL 100 19.095 -12.296 7.027 813 HG11 VAL 100 HG11 VAL 100 19.969 -11.038 4.431 814 HG12 VAL 100 HG12 VAL 100 18.376 -10.921 5.176 815 HG13 VAL 100 HG13 VAL 100 18.954 -12.474 4.572 816 HG21 VAL 100 HG21 VAL 100 21.373 -13.100 7.264 817 HG22 VAL 100 HG22 VAL 100 21.795 -12.416 5.694 818 HG23 VAL 100 HG23 VAL 100 20.641 -13.744 5.794 Start of MODEL 13 1 H1 MET -4 H1 MET -4 3.113 -14.943 -6.610 2 H2 MET -4 H2 MET -4 2.770 -16.559 -6.244 3 H3 MET -4 H3 MET -4 2.657 -15.380 -5.039 4 HA MET -4 HA MET -4 0.824 -14.330 -6.158 5 HB2 MET -4 HB2 MET -4 1.262 -16.558 -8.156 6 HB3 MET -4 HB3 MET -4 -0.218 -15.614 -8.079 7 HG2 MET -4 HG2 MET -4 0.966 -13.606 -8.632 8 HG3 MET -4 HG3 MET -4 2.511 -14.440 -8.534 9 HE1 MET -4 HE1 MET -4 -0.771 -15.954 -10.143 10 HE2 MET -4 HE2 MET -4 -0.646 -15.319 -11.784 11 HE3 MET -4 HE3 MET -4 -0.901 -14.219 -10.430 12 H ARG -3 H ARG -3 -1.314 -14.969 -5.643 13 HA ARG -3 HA ARG -3 -1.451 -17.471 -4.107 14 HB2 ARG -3 HB2 ARG -3 -3.298 -15.073 -4.103 15 HB3 ARG -3 HB3 ARG -3 -3.556 -16.529 -3.161 16 HG2 ARG -3 HG2 ARG -3 -2.659 -15.030 -1.639 17 HG3 ARG -3 HG3 ARG -3 -1.277 -16.019 -2.104 18 HD2 ARG -3 HD2 ARG -3 -0.809 -13.570 -1.997 19 HD3 ARG -3 HD3 ARG -3 -0.458 -14.310 -3.560 20 HE ARG -3 HE ARG -3 -3.005 -13.391 -3.830 21 HH11 ARG -3 HH11 ARG -3 -0.054 -11.870 -2.725 22 HH12 ARG -3 HH12 ARG -3 -0.414 -10.351 -3.492 23 HH21 ARG -3 HH21 ARG -3 -3.482 -11.401 -4.824 24 HH22 ARG -3 HH22 ARG -3 -2.362 -10.083 -4.679 25 H SER -2 H SER -2 -3.204 -18.904 -4.419 26 HA SER -2 HA SER -2 -4.045 -19.163 -7.133 27 HB2 SER -2 HB2 SER -2 -5.012 -20.678 -4.695 28 HB3 SER -2 HB3 SER -2 -5.150 -21.189 -6.376 29 HG SER -2 HG SER -2 -3.336 -22.061 -5.040 30 HA PRO -1 HA PRO -1 -7.593 -16.428 -6.532 31 HB2 PRO -1 HB2 PRO -1 -8.192 -17.168 -9.317 32 HB3 PRO -1 HB3 PRO -1 -7.894 -15.573 -8.621 33 HG2 PRO -1 HG2 PRO -1 -6.104 -16.766 -10.225 34 HG3 PRO -1 HG3 PRO -1 -5.605 -15.747 -8.863 35 HD2 PRO -1 HD2 PRO -1 -5.687 -18.734 -9.065 36 HD3 PRO -1 HD3 PRO -1 -4.456 -17.687 -8.329 37 H GLY 0 H GLY 0 -9.700 -16.814 -6.035 38 HA2 GLY 0 HA2 GLY 0 -11.748 -17.946 -6.045 39 HA3 GLY 0 HA3 GLY 0 -11.014 -19.226 -7.005 40 H MET 1 H MET 1 -9.565 -17.976 -4.107 41 HA MET 1 HA MET 1 -9.071 -20.464 -2.967 42 HB2 MET 1 HB2 MET 1 -7.824 -18.471 -2.351 43 HB3 MET 1 HB3 MET 1 -9.266 -17.748 -1.655 44 HG2 MET 1 HG2 MET 1 -7.793 -18.590 0.071 45 HG3 MET 1 HG3 MET 1 -9.318 -19.474 0.061 46 HE1 MET 1 HE1 MET 1 -6.619 -22.123 1.178 47 HE2 MET 1 HE2 MET 1 -8.092 -21.269 1.637 48 HE3 MET 1 HE3 MET 1 -6.567 -20.393 1.517 49 H ALA 2 H ALA 2 -10.284 -21.866 -1.936 50 HA ALA 2 HA ALA 2 -13.042 -21.527 -1.519 51 HB1 ALA 2 HB1 ALA 2 -12.970 -23.689 -0.431 52 HB2 ALA 2 HB2 ALA 2 -11.216 -23.582 -0.283 53 HB3 ALA 2 HB3 ALA 2 -11.961 -23.706 -1.877 54 H ASP 3 H ASP 3 -14.152 -20.678 0.092 55 HA ASP 3 HA ASP 3 -12.857 -19.355 2.245 56 HB2 ASP 3 HB2 ASP 3 -15.796 -19.949 1.843 57 HB3 ASP 3 HB3 ASP 3 -15.135 -18.821 3.020 58 H GLN 4 H GLN 4 -12.578 -19.927 4.307 59 HA GLN 4 HA GLN 4 -13.554 -22.574 5.145 60 HB2 GLN 4 HB2 GLN 4 -11.025 -21.336 6.209 61 HB3 GLN 4 HB3 GLN 4 -11.529 -23.014 6.280 62 HG2 GLN 4 HG2 GLN 4 -10.822 -21.638 3.712 63 HG3 GLN 4 HG3 GLN 4 -9.634 -22.443 4.726 64 HE21 GLN 4 HE21 GLN 4 -12.890 -23.683 4.299 65 HE22 GLN 4 HE22 GLN 4 -12.439 -25.061 3.369 66 H ARG 5 H ARG 5 -13.151 -22.632 7.732 67 HA ARG 5 HA ARG 5 -14.929 -20.791 8.862 68 HB2 ARG 5 HB2 ARG 5 -13.959 -21.707 11.063 69 HB3 ARG 5 HB3 ARG 5 -14.787 -22.790 9.969 70 HG2 ARG 5 HG2 ARG 5 -12.827 -23.850 10.897 71 HG3 ARG 5 HG3 ARG 5 -12.672 -23.652 9.155 72 HD2 ARG 5 HD2 ARG 5 -11.270 -21.702 9.489 73 HD3 ARG 5 HD3 ARG 5 -11.440 -21.864 11.239 74 HE ARG 5 HE ARG 5 -10.371 -24.192 9.890 75 HH11 ARG 5 HH11 ARG 5 -9.632 -21.214 11.588 76 HH12 ARG 5 HH12 ARG 5 -8.001 -21.684 11.947 77 HH21 ARG 5 HH21 ARG 5 -8.239 -24.813 10.381 78 HH22 ARG 5 HH22 ARG 5 -7.211 -23.731 11.264 79 H GLN 6 H GLN 6 -11.651 -20.535 8.169 80 HA GLN 6 HA GLN 6 -10.778 -18.647 10.050 81 HB2 GLN 6 HB2 GLN 6 -9.921 -19.106 7.199 82 HB3 GLN 6 HB3 GLN 6 -9.075 -18.047 8.316 83 HG2 GLN 6 HG2 GLN 6 -8.484 -19.872 9.719 84 HG3 GLN 6 HG3 GLN 6 -9.543 -20.969 8.838 85 HE21 GLN 6 HE21 GLN 6 -7.552 -18.625 7.200 86 HE22 GLN 6 HE22 GLN 6 -6.441 -19.759 6.515 87 H ARG 7 H ARG 7 -10.958 -16.490 10.213 88 HA ARG 7 HA ARG 7 -12.955 -15.176 8.579 89 HB2 ARG 7 HB2 ARG 7 -13.322 -14.640 10.784 90 HB3 ARG 7 HB3 ARG 7 -11.616 -14.692 11.194 91 HG2 ARG 7 HG2 ARG 7 -12.311 -12.454 11.411 92 HG3 ARG 7 HG3 ARG 7 -11.342 -12.554 9.942 93 HD2 ARG 7 HD2 ARG 7 -13.279 -11.179 9.522 94 HD3 ARG 7 HD3 ARG 7 -13.433 -12.686 8.621 95 HE ARG 7 HE ARG 7 -14.719 -12.971 11.102 96 HH11 ARG 7 HH11 ARG 7 -15.083 -11.240 8.085 97 HH12 ARG 7 HH12 ARG 7 -16.810 -11.153 8.192 98 HH21 ARG 7 HH21 ARG 7 -16.997 -12.867 11.248 99 HH22 ARG 7 HH22 ARG 7 -17.901 -12.083 9.994 100 H SER 8 H SER 8 -9.501 -15.053 9.189 101 HA SER 8 HA SER 8 -9.041 -12.476 8.152 102 HB2 SER 8 HB2 SER 8 -7.507 -13.624 9.675 103 HB3 SER 8 HB3 SER 8 -7.123 -14.790 8.408 104 HG SER 8 HG SER 8 -6.482 -12.839 7.154 105 H LEU 9 H LEU 9 -9.865 -15.298 6.513 106 HA LEU 9 HA LEU 9 -8.347 -14.658 4.134 107 HB2 LEU 9 HB2 LEU 9 -9.448 -16.661 3.164 108 HB3 LEU 9 HB3 LEU 9 -8.512 -16.970 4.613 109 HG LEU 9 HG LEU 9 -10.765 -16.864 5.861 110 HD11 LEU 9 HD11 LEU 9 -12.708 -17.509 4.523 111 HD12 LEU 9 HD12 LEU 9 -11.758 -17.315 3.051 112 HD13 LEU 9 HD13 LEU 9 -12.104 -15.915 4.065 113 HD21 LEU 9 HD21 LEU 9 -10.345 -19.144 3.943 114 HD22 LEU 9 HD22 LEU 9 -11.104 -19.196 5.538 115 HD23 LEU 9 HD23 LEU 9 -9.373 -18.884 5.391 116 H SER 10 H SER 10 -11.279 -13.689 5.469 117 HA SER 10 HA SER 10 -12.783 -13.286 3.095 118 HB2 SER 10 HB2 SER 10 -14.029 -11.587 4.449 119 HB3 SER 10 HB3 SER 10 -13.893 -13.147 5.258 120 HG SER 10 HG SER 10 -12.366 -12.317 6.613 121 H THR 11 H THR 11 -10.439 -11.386 4.876 122 HA THR 11 HA THR 11 -10.328 -9.301 2.907 123 HB THR 11 HB THR 11 -8.128 -8.819 4.264 124 HG1 THR 11 HG1 THR 11 -7.982 -10.711 5.444 125 HG21 THR 11 HG21 THR 11 -10.881 -8.558 5.479 126 HG22 THR 11 HG22 THR 11 -10.122 -7.425 4.362 127 HG23 THR 11 HG23 THR 11 -9.455 -7.648 5.978 128 H SER 12 H SER 12 -8.859 -9.072 1.303 129 HA SER 12 HA SER 12 -7.638 -11.435 0.276 130 HB2 SER 12 HB2 SER 12 -6.780 -9.678 -1.444 131 HB3 SER 12 HB3 SER 12 -8.511 -10.008 -1.356 132 HG SER 12 HG SER 12 -7.761 -7.698 -1.337 133 H GLY 13 H GLY 13 -6.645 -9.083 2.455 134 HA2 GLY 13 HA2 GLY 13 -4.612 -8.944 3.587 135 HA3 GLY 13 HA3 GLY 13 -3.894 -10.015 2.388 136 H GLU 14 H GLU 14 -5.775 -7.335 1.375 137 HA GLU 14 HA GLU 14 -3.401 -6.126 0.197 138 HB2 GLU 14 HB2 GLU 14 -4.885 -5.008 -1.295 139 HB3 GLU 14 HB3 GLU 14 -5.443 -6.671 -1.181 140 HG2 GLU 14 HG2 GLU 14 -7.101 -5.928 0.499 141 HG3 GLU 14 HG3 GLU 14 -6.584 -4.272 0.191 142 H SER 15 H SER 15 -2.668 -4.177 0.751 143 HA SER 15 HA SER 15 -4.222 -2.608 2.695 144 HB2 SER 15 HB2 SER 15 -1.203 -2.787 2.500 145 HB3 SER 15 HB3 SER 15 -2.115 -1.844 3.679 146 HG SER 15 HG SER 15 -1.458 -4.472 3.712 147 H LEU 16 H LEU 16 -1.488 -2.220 0.447 148 HA LEU 16 HA LEU 16 -1.863 0.504 -0.064 149 HB2 LEU 16 HB2 LEU 16 -0.574 -1.675 -1.692 150 HB3 LEU 16 HB3 LEU 16 -0.551 0.003 -2.176 151 HG LEU 16 HG LEU 16 1.544 -0.611 -1.181 152 HD11 LEU 16 HD11 LEU 16 0.842 1.669 -0.833 153 HD12 LEU 16 HD12 LEU 16 1.716 1.089 0.582 154 HD13 LEU 16 HD13 LEU 16 -0.043 1.202 0.622 155 HD21 LEU 16 HD21 LEU 16 1.761 -1.263 1.158 156 HD22 LEU 16 HD22 LEU 16 0.833 -2.446 0.235 157 HD23 LEU 16 HD23 LEU 16 0.003 -1.315 1.305 158 H TYR 17 H TYR 17 -2.861 -2.339 -1.914 159 HA TYR 17 HA TYR 17 -4.223 -1.142 -3.996 160 HB2 TYR 17 HB2 TYR 17 -5.169 -3.608 -2.528 161 HB3 TYR 17 HB3 TYR 17 -5.538 -3.170 -4.186 162 HD1 TYR 17 HD2 TYR 17 -3.745 -3.262 -5.908 163 HD2 TYR 17 HD1 TYR 17 -3.161 -4.763 -1.973 164 HE1 TYR 17 HE2 TYR 17 -1.783 -4.527 -6.686 165 HE2 TYR 17 HE1 TYR 17 -1.196 -6.032 -2.734 166 HH TYR 17 HH TYR 17 0.291 -5.477 -5.721 167 H HIS 18 H HIS 18 -5.278 -1.675 -0.691 168 HA HIS 18 HA HIS 18 -8.027 -1.142 -1.121 169 HB2 HIS 18 HB2 HIS 18 -7.138 -2.465 0.781 170 HB3 HIS 18 HB3 HIS 18 -6.453 -0.993 1.456 171 HD1 HIS 18 HD1 HIS 18 -7.825 -0.332 3.392 172 HD2 HIS 18 HD2 HIS 18 -10.162 -1.758 0.264 173 HE1 HIS 18 HE1 HIS 18 -10.201 -0.131 4.178 174 HE2 HIS 18 HE2 HIS 18 -11.600 -0.850 2.210 175 H VAL 19 H VAL 19 -5.276 0.887 -0.345 176 HA VAL 19 HA VAL 19 -6.772 3.171 0.480 177 HB VAL 19 HB VAL 19 -4.796 4.202 0.808 178 HG11 VAL 19 HG11 VAL 19 -4.236 2.111 1.758 179 HG12 VAL 19 HG12 VAL 19 -2.807 2.666 0.882 180 HG13 VAL 19 HG13 VAL 19 -3.841 1.425 0.183 181 HG21 VAL 19 HG21 VAL 19 -4.325 4.934 -1.349 182 HG22 VAL 19 HG22 VAL 19 -4.074 3.293 -1.960 183 HG23 VAL 19 HG23 VAL 19 -2.872 4.036 -0.893 184 H LEU 20 H LEU 20 -5.690 1.891 -2.559 185 HA LEU 20 HA LEU 20 -6.360 4.315 -4.004 186 HB2 LEU 20 HB2 LEU 20 -5.080 1.709 -4.743 187 HB3 LEU 20 HB3 LEU 20 -5.652 2.801 -5.992 188 HG LEU 20 HG LEU 20 -3.545 3.401 -3.914 189 HD11 LEU 20 HD11 LEU 20 -2.064 3.599 -5.877 190 HD12 LEU 20 HD12 LEU 20 -3.381 3.009 -6.895 191 HD13 LEU 20 HD13 LEU 20 -2.696 1.966 -5.649 192 HD21 LEU 20 HD21 LEU 20 -3.253 5.502 -5.206 193 HD22 LEU 20 HD22 LEU 20 -4.771 5.403 -4.318 194 HD23 LEU 20 HD23 LEU 20 -4.751 5.128 -6.063 195 H GLY 21 H GLY 21 -7.656 1.195 -3.345 196 HA2 GLY 21 HA2 GLY 21 -9.954 0.713 -3.428 197 HA3 GLY 21 HA3 GLY 21 -10.174 2.037 -4.560 198 H LEU 22 H LEU 22 -7.557 0.043 -5.349 199 HA LEU 22 HA LEU 22 -9.187 -1.333 -7.366 200 HB2 LEU 22 HB2 LEU 22 -6.904 -1.715 -8.477 201 HB3 LEU 22 HB3 LEU 22 -7.612 -0.121 -8.568 202 HG LEU 22 HG LEU 22 -6.119 0.431 -6.530 203 HD11 LEU 22 HD11 LEU 22 -4.046 -0.860 -6.428 204 HD12 LEU 22 HD12 LEU 22 -4.712 -2.016 -7.583 205 HD13 LEU 22 HD13 LEU 22 -5.446 -1.838 -5.988 206 HD21 LEU 22 HD21 LEU 22 -5.814 1.342 -8.775 207 HD22 LEU 22 HD22 LEU 22 -4.888 -0.090 -9.232 208 HD23 LEU 22 HD23 LEU 22 -4.273 1.002 -7.991 209 H ASP 23 H ASP 23 -8.382 -3.524 -7.991 210 HA ASP 23 HA ASP 23 -7.947 -5.069 -5.564 211 HB2 ASP 23 HB2 ASP 23 -9.691 -5.616 -7.347 212 HB3 ASP 23 HB3 ASP 23 -8.357 -6.166 -8.333 213 H LYS 24 H LYS 24 -6.683 -7.259 -6.547 214 HA LYS 24 HA LYS 24 -3.984 -6.211 -6.224 215 HB2 LYS 24 HB2 LYS 24 -4.676 -9.124 -6.378 216 HB3 LYS 24 HB3 LYS 24 -3.417 -8.338 -5.444 217 HG2 LYS 24 HG2 LYS 24 -4.778 -7.871 -3.716 218 HG3 LYS 24 HG3 LYS 24 -6.170 -7.595 -4.762 219 HD2 LYS 24 HD2 LYS 24 -5.023 -10.305 -4.111 220 HD3 LYS 24 HD3 LYS 24 -6.424 -9.589 -3.317 221 HE2 LYS 24 HE2 LYS 24 -7.539 -9.439 -5.542 222 HE3 LYS 24 HE3 LYS 24 -6.173 -10.308 -6.236 223 HZ1 LYS 24 HZ1 LYS 24 -8.044 -11.335 -4.174 224 HZ2 LYS 24 HZ2 LYS 24 -6.661 -12.155 -4.698 225 HZ3 LYS 24 HZ3 LYS 24 -7.920 -11.849 -5.781 226 H ASN 25 H ASN 25 -5.876 -7.009 -8.791 227 HA ASN 25 HA ASN 25 -3.730 -8.210 -10.362 228 HB2 ASN 25 HB2 ASN 25 -5.556 -8.792 -11.914 229 HB3 ASN 25 HB3 ASN 25 -5.805 -9.404 -10.285 230 HD21 ASN 25 HD21 ASN 25 -7.408 -8.610 -9.012 231 HD22 ASN 25 HD22 ASN 25 -8.691 -7.645 -9.639 232 H ALA 26 H ALA 26 -4.964 -5.287 -9.678 233 HA ALA 26 HA ALA 26 -5.091 -3.932 -12.118 234 HB1 ALA 26 HB1 ALA 26 -4.476 -1.906 -10.819 235 HB2 ALA 26 HB2 ALA 26 -4.158 -2.954 -9.423 236 HB3 ALA 26 HB3 ALA 26 -5.789 -2.843 -10.084 237 H THR 27 H THR 27 -3.547 -2.760 -13.258 238 HA THR 27 HA THR 27 -0.799 -3.737 -12.884 239 HB THR 27 HB THR 27 -1.874 -4.464 -15.002 240 HG1 THR 27 HG1 THR 27 0.339 -4.254 -15.130 241 HG21 THR 27 HG21 THR 27 -3.327 -2.497 -15.313 242 HG22 THR 27 HG22 THR 27 -2.380 -2.866 -16.750 243 HG23 THR 27 HG23 THR 27 -1.908 -1.531 -15.700 244 H SER 28 H SER 28 0.756 -2.077 -14.137 245 HA SER 28 HA SER 28 1.092 0.129 -12.561 246 HB2 SER 28 HB2 SER 28 1.805 -0.025 -15.499 247 HB3 SER 28 HB3 SER 28 2.585 0.981 -14.279 248 HG SER 28 HG SER 28 3.527 -0.759 -13.397 249 H ASP 29 H ASP 29 -0.815 -0.183 -15.453 250 HA ASP 29 HA ASP 29 -1.488 2.448 -15.969 251 HB2 ASP 29 HB2 ASP 29 -2.055 0.609 -17.479 252 HB3 ASP 29 HB3 ASP 29 -3.208 -0.016 -16.306 253 H ASP 30 H ASP 30 -3.296 0.124 -13.854 254 HA ASP 30 HA ASP 30 -5.255 2.192 -13.370 255 HB2 ASP 30 HB2 ASP 30 -5.744 -0.308 -13.548 256 HB3 ASP 30 HB3 ASP 30 -5.071 -0.441 -11.922 257 H ILE 31 H ILE 31 -2.542 0.753 -11.720 258 HA ILE 31 HA ILE 31 -3.044 1.747 -9.142 259 HB ILE 31 HB ILE 31 -0.471 0.955 -10.499 260 HG12 ILE 31 HG12 ILE 31 -1.849 -0.575 -8.333 261 HG13 ILE 31 HG13 ILE 31 -2.521 -0.631 -9.959 262 HG21 ILE 31 HG21 ILE 31 -0.016 2.492 -8.641 263 HG22 ILE 31 HG22 ILE 31 0.542 0.854 -8.298 264 HG23 ILE 31 HG23 ILE 31 -0.947 1.450 -7.564 265 HD11 ILE 31 HD11 ILE 31 -1.007 -2.500 -9.443 266 HD12 ILE 31 HD12 ILE 31 0.312 -1.339 -9.263 267 HD13 ILE 31 HD13 ILE 31 -0.488 -1.532 -10.826 268 H LYS 32 H LYS 32 -1.289 3.152 -11.882 269 HA LYS 32 HA LYS 32 -0.364 5.369 -10.317 270 HB2 LYS 32 HB2 LYS 32 -0.335 4.942 -13.304 271 HB3 LYS 32 HB3 LYS 32 0.457 6.270 -12.462 272 HG2 LYS 32 HG2 LYS 32 1.885 4.716 -11.281 273 HG3 LYS 32 HG3 LYS 32 1.054 3.352 -12.026 274 HD2 LYS 32 HD2 LYS 32 1.812 4.124 -14.236 275 HD3 LYS 32 HD3 LYS 32 2.678 5.453 -13.460 276 HE2 LYS 32 HE2 LYS 32 4.007 3.810 -12.194 277 HE3 LYS 32 HE3 LYS 32 3.175 2.508 -13.036 278 HZ1 LYS 32 HZ1 LYS 32 4.828 4.597 -14.344 279 HZ2 LYS 32 HZ2 LYS 32 4.092 3.283 -15.108 280 HZ3 LYS 32 HZ3 LYS 32 5.345 3.023 -14.005 281 H LYS 33 H LYS 33 -2.926 4.936 -12.761 282 HA LYS 33 HA LYS 33 -3.866 7.580 -12.716 283 HB2 LYS 33 HB2 LYS 33 -5.510 5.072 -13.103 284 HB3 LYS 33 HB3 LYS 33 -5.939 6.695 -13.627 285 HG2 LYS 33 HG2 LYS 33 -3.983 6.679 -15.131 286 HG3 LYS 33 HG3 LYS 33 -3.669 5.015 -14.654 287 HD2 LYS 33 HD2 LYS 33 -6.148 6.039 -16.038 288 HD3 LYS 33 HD3 LYS 33 -4.872 5.060 -16.762 289 HE2 LYS 33 HE2 LYS 33 -5.396 3.287 -15.072 290 HE3 LYS 33 HE3 LYS 33 -6.790 4.248 -14.583 291 HZ1 LYS 33 HZ1 LYS 33 -6.305 2.887 -17.157 292 HZ2 LYS 33 HZ2 LYS 33 -7.443 4.131 -17.022 293 HZ3 LYS 33 HZ3 LYS 33 -7.624 2.722 -16.108 294 H SER 34 H SER 34 -4.784 4.752 -10.786 295 HA SER 34 HA SER 34 -6.795 5.863 -9.240 296 HB2 SER 34 HB2 SER 34 -5.918 3.437 -9.347 297 HB3 SER 34 HB3 SER 34 -4.778 3.949 -8.106 298 HG SER 34 HG SER 34 -6.794 4.745 -7.006 299 H TYR 35 H TYR 35 -3.294 6.010 -8.836 300 HA TYR 35 HA TYR 35 -3.191 7.306 -6.380 301 HB2 TYR 35 HB2 TYR 35 -1.124 6.590 -7.269 302 HB3 TYR 35 HB3 TYR 35 -1.386 7.428 -8.797 303 HD1 TYR 35 HD1 TYR 35 -0.971 8.164 -5.138 304 HD2 TYR 35 HD2 TYR 35 -0.328 9.459 -9.143 305 HE1 TYR 35 HE1 TYR 35 0.280 10.100 -4.307 306 HE2 TYR 35 HE2 TYR 35 0.935 11.399 -8.318 307 HH TYR 35 HH TYR 35 1.090 12.754 -6.251 308 H ARG 36 H ARG 36 -3.215 8.751 -9.625 309 HA ARG 36 HA ARG 36 -3.226 11.416 -8.835 310 HB2 ARG 36 HB2 ARG 36 -4.487 10.159 -11.281 311 HB3 ARG 36 HB3 ARG 36 -4.173 11.877 -11.080 312 HG2 ARG 36 HG2 ARG 36 -2.049 9.753 -11.028 313 HG3 ARG 36 HG3 ARG 36 -2.485 10.693 -12.455 314 HD2 ARG 36 HD2 ARG 36 -1.884 12.752 -11.296 315 HD3 ARG 36 HD3 ARG 36 -1.500 11.836 -9.840 316 HE ARG 36 HE ARG 36 0.035 10.833 -11.959 317 HH11 ARG 36 HH11 ARG 36 -0.257 13.701 -9.978 318 HH12 ARG 36 HH12 ARG 36 1.412 14.145 -10.148 319 HH21 ARG 36 HH21 ARG 36 2.238 11.427 -12.195 320 HH22 ARG 36 HH22 ARG 36 2.823 12.856 -11.404 321 H LYS 37 H LYS 37 -5.979 9.389 -9.729 322 HA LYS 37 HA LYS 37 -8.057 11.149 -9.497 323 HB2 LYS 37 HB2 LYS 37 -7.936 8.230 -8.755 324 HB3 LYS 37 HB3 LYS 37 -9.435 9.138 -8.888 325 HG2 LYS 37 HG2 LYS 37 -9.328 9.250 -11.158 326 HG3 LYS 37 HG3 LYS 37 -7.565 9.143 -11.200 327 HD2 LYS 37 HD2 LYS 37 -8.779 7.116 -12.048 328 HD3 LYS 37 HD3 LYS 37 -7.640 6.796 -10.733 329 HE2 LYS 37 HE2 LYS 37 -9.537 5.606 -10.099 330 HE3 LYS 37 HE3 LYS 37 -9.666 7.119 -9.198 331 HZ1 LYS 37 HZ1 LYS 37 -11.777 6.481 -10.199 332 HZ2 LYS 37 HZ2 LYS 37 -11.083 6.518 -11.741 333 HZ3 LYS 37 HZ3 LYS 37 -11.218 7.943 -10.838 334 H LEU 38 H LEU 38 -6.535 9.329 -6.877 335 HA LEU 38 HA LEU 38 -8.341 10.508 -4.917 336 HB2 LEU 38 HB2 LEU 38 -6.061 8.554 -4.705 337 HB3 LEU 38 HB3 LEU 38 -7.006 9.110 -3.337 338 HG LEU 38 HG LEU 38 -8.263 7.739 -5.705 339 HD11 LEU 38 HD11 LEU 38 -6.583 6.255 -4.782 340 HD12 LEU 38 HD12 LEU 38 -8.203 5.677 -4.391 341 HD13 LEU 38 HD13 LEU 38 -7.237 6.494 -3.161 342 HD21 LEU 38 HD21 LEU 38 -10.065 7.292 -4.125 343 HD22 LEU 38 HD22 LEU 38 -9.756 9.025 -4.248 344 HD23 LEU 38 HD23 LEU 38 -9.168 8.119 -2.851 345 H ALA 39 H ALA 39 -5.040 10.797 -5.981 346 HA ALA 39 HA ALA 39 -3.832 12.082 -3.862 347 HB1 ALA 39 HB1 ALA 39 -2.222 12.947 -5.456 348 HB2 ALA 39 HB2 ALA 39 -3.316 12.551 -6.784 349 HB3 ALA 39 HB3 ALA 39 -2.621 11.263 -5.799 350 H LEU 40 H LEU 40 -5.648 13.640 -6.529 351 HA LEU 40 HA LEU 40 -5.139 16.199 -5.320 352 HB2 LEU 40 HB2 LEU 40 -7.063 16.964 -6.953 353 HB3 LEU 40 HB3 LEU 40 -5.416 16.749 -7.475 354 HG LEU 40 HG LEU 40 -7.267 15.947 -9.004 355 HD11 LEU 40 HD11 LEU 40 -5.064 14.060 -8.233 356 HD12 LEU 40 HD12 LEU 40 -4.966 15.391 -9.387 357 HD13 LEU 40 HD13 LEU 40 -5.984 13.992 -9.735 358 HD21 LEU 40 HD21 LEU 40 -8.620 14.800 -7.305 359 HD22 LEU 40 HD22 LEU 40 -7.338 13.598 -7.136 360 HD23 LEU 40 HD23 LEU 40 -8.193 13.767 -8.667 361 H LYS 41 H LYS 41 -7.883 14.021 -5.493 362 HA LYS 41 HA LYS 41 -9.775 15.376 -4.051 363 HB2 LYS 41 HB2 LYS 41 -10.140 13.137 -4.962 364 HB3 LYS 41 HB3 LYS 41 -8.998 12.462 -3.809 365 HG2 LYS 41 HG2 LYS 41 -10.687 13.618 -2.100 366 HG3 LYS 41 HG3 LYS 41 -11.799 13.309 -3.431 367 HD2 LYS 41 HD2 LYS 41 -11.206 10.963 -3.409 368 HD3 LYS 41 HD3 LYS 41 -10.005 11.256 -2.148 369 HE2 LYS 41 HE2 LYS 41 -12.990 11.527 -1.939 370 HE3 LYS 41 HE3 LYS 41 -11.960 10.358 -1.116 371 HZ1 LYS 41 HZ1 LYS 41 -10.902 12.295 0.020 372 HZ2 LYS 41 HZ2 LYS 41 -12.521 12.047 0.429 373 HZ3 LYS 41 HZ3 LYS 41 -12.101 13.284 -0.643 374 H TYR 42 H TYR 42 -7.071 13.476 -2.756 375 HA TYR 42 HA TYR 42 -7.576 14.554 -0.080 376 HB2 TYR 42 HB2 TYR 42 -5.938 12.270 -1.134 377 HB3 TYR 42 HB3 TYR 42 -5.602 12.942 0.460 378 HD1 TYR 42 HD2 TYR 42 -7.445 12.885 2.212 379 HD2 TYR 42 HD1 TYR 42 -7.730 10.794 -1.483 380 HE1 TYR 42 HE2 TYR 42 -9.242 11.500 3.140 381 HE2 TYR 42 HE1 TYR 42 -9.532 9.403 -0.556 382 HH TYR 42 HH TYR 42 -10.367 8.677 1.610 383 H HIS 43 H HIS 43 -6.407 16.096 -2.398 384 HA HIS 43 HA HIS 43 -3.677 16.556 -1.807 385 HB2 HIS 43 HB2 HIS 43 -5.273 17.279 -3.867 386 HB3 HIS 43 HB3 HIS 43 -5.240 18.786 -2.958 387 HD1 HIS 43 HD1 HIS 43 -3.397 20.297 -3.594 388 HD2 HIS 43 HD2 HIS 43 -2.466 16.318 -4.343 389 HE1 HIS 43 HE1 HIS 43 -1.122 20.324 -4.663 390 HE2 HIS 43 HE2 HIS 43 -0.507 17.897 -4.924 391 HA PRO 44 HA PRO 44 -3.542 18.153 2.123 392 HB2 PRO 44 HB2 PRO 44 -2.241 20.628 1.440 393 HB3 PRO 44 HB3 PRO 44 -1.543 19.179 2.154 394 HG2 PRO 44 HG2 PRO 44 -1.602 20.046 -0.661 395 HG3 PRO 44 HG3 PRO 44 -0.469 18.957 0.161 396 HD2 PRO 44 HD2 PRO 44 -2.283 18.047 -1.570 397 HD3 PRO 44 HD3 PRO 44 -1.862 17.113 -0.120 398 H ASP 45 H ASP 45 -4.335 20.788 -0.157 399 HA ASP 45 HA ASP 45 -5.371 22.345 2.001 400 HB2 ASP 45 HB2 ASP 45 -4.142 23.350 0.097 401 HB3 ASP 45 HB3 ASP 45 -5.485 22.924 -0.959 402 H LYS 46 H LYS 46 -6.770 20.026 -0.066 403 HA LYS 46 HA LYS 46 -9.444 21.092 0.023 404 HB2 LYS 46 HB2 LYS 46 -8.589 18.218 -0.349 405 HB3 LYS 46 HB3 LYS 46 -10.135 18.920 -0.777 406 HG2 LYS 46 HG2 LYS 46 -8.614 20.472 -2.255 407 HG3 LYS 46 HG3 LYS 46 -7.529 19.093 -2.152 408 HD2 LYS 46 HD2 LYS 46 -9.290 17.617 -2.968 409 HD3 LYS 46 HD3 LYS 46 -10.403 18.982 -3.065 410 HE2 LYS 46 HE2 LYS 46 -7.808 18.839 -4.580 411 HE3 LYS 46 HE3 LYS 46 -9.342 18.280 -5.237 412 HZ1 LYS 46 HZ1 LYS 46 -8.738 21.046 -4.341 413 HZ2 LYS 46 HZ2 LYS 46 -10.224 20.518 -4.946 414 HZ3 LYS 46 HZ3 LYS 46 -8.862 20.529 -5.945 415 H ASN 47 H ASN 47 -7.417 19.739 2.271 416 HA ASN 47 HA ASN 47 -9.535 18.349 3.762 417 HB2 ASN 47 HB2 ASN 47 -6.552 17.909 3.826 418 HB3 ASN 47 HB3 ASN 47 -7.784 16.908 4.591 419 HD21 ASN 47 HD21 ASN 47 -6.671 18.086 1.435 420 HD22 ASN 47 HD22 ASN 47 -7.178 16.672 0.565 421 HA PRO 48 HA PRO 48 -8.838 21.098 7.181 422 HB2 PRO 48 HB2 PRO 48 -9.007 18.800 9.006 423 HB3 PRO 48 HB3 PRO 48 -10.034 20.232 8.903 424 HG2 PRO 48 HG2 PRO 48 -10.914 17.834 8.096 425 HG3 PRO 48 HG3 PRO 48 -11.351 19.312 7.217 426 HD2 PRO 48 HD2 PRO 48 -9.251 17.270 6.554 427 HD3 PRO 48 HD3 PRO 48 -10.432 18.056 5.483 428 H ASP 49 H ASP 49 -7.769 20.593 9.614 429 HA ASP 49 HA ASP 49 -4.984 20.791 8.989 430 HB2 ASP 49 HB2 ASP 49 -6.282 22.141 10.700 431 HB3 ASP 49 HB3 ASP 49 -6.269 20.706 11.716 432 H ASN 50 H ASN 50 -7.111 18.374 10.223 433 HA ASN 50 HA ASN 50 -5.445 16.762 11.719 434 HB2 ASN 50 HB2 ASN 50 -7.019 14.954 11.273 435 HB3 ASN 50 HB3 ASN 50 -7.872 16.452 11.596 436 HD21 ASN 50 HD21 ASN 50 -8.757 14.058 10.228 437 HD22 ASN 50 HD22 ASN 50 -9.234 14.556 8.641 438 HA PRO 51 HA PRO 51 -2.637 15.070 8.743 439 HB2 PRO 51 HB2 PRO 51 -1.501 13.186 10.293 440 HB3 PRO 51 HB3 PRO 51 -1.202 14.910 10.542 441 HG2 PRO 51 HG2 PRO 51 -3.045 13.075 12.017 442 HG3 PRO 51 HG3 PRO 51 -1.971 14.331 12.657 443 HD2 PRO 51 HD2 PRO 51 -4.660 14.681 12.281 444 HD3 PRO 51 HD3 PRO 51 -3.479 16.006 12.233 445 H GLU 52 H GLU 52 -5.458 13.728 9.579 446 HA GLU 52 HA GLU 52 -5.176 10.973 9.014 447 HB2 GLU 52 HB2 GLU 52 -7.132 11.907 10.178 448 HB3 GLU 52 HB3 GLU 52 -7.560 12.811 8.725 449 HG2 GLU 52 HG2 GLU 52 -7.910 10.709 7.531 450 HG3 GLU 52 HG3 GLU 52 -7.511 9.811 8.996 451 H ALA 53 H ALA 53 -6.257 13.726 7.109 452 HA ALA 53 HA ALA 53 -6.624 12.309 4.697 453 HB1 ALA 53 HB1 ALA 53 -6.136 15.253 5.059 454 HB2 ALA 53 HB2 ALA 53 -7.684 14.462 5.340 455 HB3 ALA 53 HB3 ALA 53 -6.975 14.460 3.721 456 H ALA 54 H ALA 54 -3.920 13.954 6.160 457 HA ALA 54 HA ALA 54 -2.182 13.935 3.928 458 HB1 ALA 54 HB1 ALA 54 -0.408 14.303 5.562 459 HB2 ALA 54 HB2 ALA 54 -1.514 13.881 6.872 460 HB3 ALA 54 HB3 ALA 54 -1.799 15.332 5.908 461 H ASP 55 H ASP 55 -2.740 11.699 6.599 462 HA ASP 55 HA ASP 55 -0.883 9.701 5.990 463 HB2 ASP 55 HB2 ASP 55 -2.677 10.004 7.934 464 HB3 ASP 55 HB3 ASP 55 -3.606 8.949 6.895 465 H LYS 56 H LYS 56 -4.200 10.154 5.028 466 HA LYS 56 HA LYS 56 -4.610 7.975 3.372 467 HB2 LYS 56 HB2 LYS 56 -5.739 10.579 3.893 468 HB3 LYS 56 HB3 LYS 56 -5.962 10.107 2.208 469 HG2 LYS 56 HG2 LYS 56 -6.967 8.771 4.696 470 HG3 LYS 56 HG3 LYS 56 -7.874 9.445 3.351 471 HD2 LYS 56 HD2 LYS 56 -6.209 6.926 3.330 472 HD3 LYS 56 HD3 LYS 56 -7.965 7.044 3.249 473 HE2 LYS 56 HE2 LYS 56 -7.741 8.216 1.076 474 HE3 LYS 56 HE3 LYS 56 -5.997 7.961 1.157 475 HZ1 LYS 56 HZ1 LYS 56 -8.091 5.863 1.031 476 HZ2 LYS 56 HZ2 LYS 56 -6.446 5.551 1.292 477 HZ3 LYS 56 HZ3 LYS 56 -6.961 6.242 -0.170 478 H PHE 57 H PHE 57 -3.730 11.275 2.389 479 HA PHE 57 HA PHE 57 -3.077 10.756 -0.244 480 HB2 PHE 57 HB2 PHE 57 -3.152 13.005 0.982 481 HB3 PHE 57 HB3 PHE 57 -1.484 12.672 1.441 482 HD1 PHE 57 HD1 PHE 57 -1.706 11.188 -1.600 483 HD2 PHE 57 HD2 PHE 57 -1.737 15.090 0.090 484 HE1 PHE 57 HE1 PHE 57 -0.918 12.119 -3.734 485 HE2 PHE 57 HE2 PHE 57 -0.953 16.026 -2.038 486 HZ PHE 57 HZ PHE 57 -0.580 14.604 -3.945 487 H LYS 58 H LYS 58 -1.133 10.344 2.619 488 HA LYS 58 HA LYS 58 1.321 9.731 1.436 489 HB2 LYS 58 HB2 LYS 58 0.851 10.288 3.814 490 HB3 LYS 58 HB3 LYS 58 0.206 8.672 4.030 491 HG2 LYS 58 HG2 LYS 58 2.368 7.715 3.572 492 HG3 LYS 58 HG3 LYS 58 3.038 9.305 3.217 493 HD2 LYS 58 HD2 LYS 58 2.036 8.255 5.854 494 HD3 LYS 58 HD3 LYS 58 3.677 8.759 5.441 495 HE2 LYS 58 HE2 LYS 58 1.261 10.561 5.506 496 HE3 LYS 58 HE3 LYS 58 2.469 10.437 6.790 497 HZ1 LYS 58 HZ1 LYS 58 2.887 12.336 5.351 498 HZ2 LYS 58 HZ2 LYS 58 3.003 11.322 4.004 499 HZ3 LYS 58 HZ3 LYS 58 4.150 11.219 5.240 500 H GLU 59 H GLU 59 -1.360 7.575 2.395 501 HA GLU 59 HA GLU 59 0.027 5.224 1.579 502 HB2 GLU 59 HB2 GLU 59 -2.240 4.137 1.759 503 HB3 GLU 59 HB3 GLU 59 -1.592 4.849 3.218 504 HG2 GLU 59 HG2 GLU 59 -3.010 6.762 2.955 505 HG3 GLU 59 HG3 GLU 59 -3.602 6.148 1.416 506 H ILE 60 H ILE 60 -2.294 7.370 -0.023 507 HA ILE 60 HA ILE 60 -2.661 5.900 -2.396 508 HB ILE 60 HB ILE 60 -2.296 8.898 -2.302 509 HG12 ILE 60 HG12 ILE 60 -4.914 7.441 -1.943 510 HG13 ILE 60 HG13 ILE 60 -3.969 8.063 -0.592 511 HG21 ILE 60 HG21 ILE 60 -4.195 7.434 -4.070 512 HG22 ILE 60 HG22 ILE 60 -2.488 7.528 -4.481 513 HG23 ILE 60 HG23 ILE 60 -3.430 9.008 -4.303 514 HD11 ILE 60 HD11 ILE 60 -4.144 10.325 -1.572 515 HD12 ILE 60 HD12 ILE 60 -5.705 9.631 -1.148 516 HD13 ILE 60 HD13 ILE 60 -5.183 9.672 -2.835 517 H ASN 61 H ASN 61 -0.264 8.294 -1.480 518 HA ASN 61 HA ASN 61 1.236 8.329 -3.845 519 HB2 ASN 61 HB2 ASN 61 1.231 9.987 -1.914 520 HB3 ASN 61 HB3 ASN 61 2.288 8.863 -1.065 521 HD21 ASN 61 HD21 ASN 61 2.960 11.486 -1.660 522 HD22 ASN 61 HD22 ASN 61 4.278 11.478 -2.781 523 H ASN 62 H ASN 62 1.552 6.420 -0.879 524 HA ASN 62 HA ASN 62 3.969 5.137 -1.587 525 HB2 ASN 62 HB2 ASN 62 2.872 5.255 0.723 526 HB3 ASN 62 HB3 ASN 62 1.869 3.912 0.182 527 HD21 ASN 62 HD21 ASN 62 2.696 2.435 1.602 528 HD22 ASN 62 HD22 ASN 62 4.316 1.842 1.518 529 H ALA 63 H ALA 63 0.621 3.941 -1.668 530 HA ALA 63 HA ALA 63 1.056 1.498 -2.880 531 HB1 ALA 63 HB1 ALA 63 -1.277 1.613 -3.621 532 HB2 ALA 63 HB2 ALA 63 -1.308 3.335 -3.236 533 HB3 ALA 63 HB3 ALA 63 -1.091 2.146 -1.951 534 H HIS 64 H HIS 64 0.774 4.670 -4.346 535 HA HIS 64 HA HIS 64 0.628 4.069 -7.031 536 HB2 HIS 64 HB2 HIS 64 0.502 6.339 -6.275 537 HB3 HIS 64 HB3 HIS 64 2.118 6.265 -5.590 538 HD1 HIS 64 HD1 HIS 64 0.423 6.236 -8.987 539 HD2 HIS 64 HD2 HIS 64 4.092 7.116 -7.253 540 HE1 HIS 64 HE1 HIS 64 1.802 7.270 -10.814 541 HE2 HIS 64 HE2 HIS 64 4.069 7.640 -9.783 542 H ALA 65 H ALA 65 3.427 3.950 -4.899 543 HA ALA 65 HA ALA 65 5.183 3.306 -7.137 544 HB1 ALA 65 HB1 ALA 65 6.977 3.395 -5.460 545 HB2 ALA 65 HB2 ALA 65 5.773 3.692 -4.207 546 HB3 ALA 65 HB3 ALA 65 6.018 4.874 -5.492 547 H ILE 66 H ILE 66 3.836 1.849 -4.218 548 HA ILE 66 HA ILE 66 5.498 -0.384 -4.059 549 HB ILE 66 HB ILE 66 2.602 -0.368 -3.220 550 HG12 ILE 66 HG12 ILE 66 3.551 1.595 -2.253 551 HG13 ILE 66 HG13 ILE 66 3.496 0.371 -0.991 552 HG21 ILE 66 HG21 ILE 66 3.663 -2.551 -3.134 553 HG22 ILE 66 HG22 ILE 66 3.367 -1.946 -1.505 554 HG23 ILE 66 HG23 ILE 66 4.994 -1.889 -2.184 555 HD11 ILE 66 HD11 ILE 66 5.905 1.245 -2.556 556 HD12 ILE 66 HD12 ILE 66 5.890 -0.081 -1.387 557 HD13 ILE 66 HD13 ILE 66 5.554 1.571 -0.856 558 H LEU 67 H LEU 67 2.260 -0.173 -5.571 559 HA LEU 67 HA LEU 67 2.219 -2.970 -6.079 560 HB2 LEU 67 HB2 LEU 67 0.466 -0.755 -7.101 561 HB3 LEU 67 HB3 LEU 67 0.198 -2.442 -7.472 562 HG LEU 67 HG LEU 67 -1.085 -2.575 -5.673 563 HD11 LEU 67 HD11 LEU 67 0.919 -3.453 -4.592 564 HD12 LEU 67 HD12 LEU 67 -0.126 -2.606 -3.451 565 HD13 LEU 67 HD13 LEU 67 1.337 -1.825 -4.051 566 HD21 LEU 67 HD21 LEU 67 -1.454 -0.182 -5.911 567 HD22 LEU 67 HD22 LEU 67 -0.075 0.139 -4.858 568 HD23 LEU 67 HD23 LEU 67 -1.502 -0.677 -4.219 569 H THR 68 H THR 68 3.192 -0.213 -8.023 570 HA THR 68 HA THR 68 3.448 -1.949 -10.353 571 HB THR 68 HB THR 68 2.491 0.259 -10.754 572 HG1 THR 68 HG1 THR 68 5.024 -0.333 -11.886 573 HG21 THR 68 HG21 THR 68 3.609 1.503 -8.986 574 HG22 THR 68 HG22 THR 68 3.846 2.277 -10.554 575 HG23 THR 68 HG23 THR 68 5.150 1.334 -9.830 576 H ASP 69 H ASP 69 5.224 -1.335 -7.699 577 HA ASP 69 HA ASP 69 7.817 -1.542 -9.054 578 HB2 ASP 69 HB2 ASP 69 7.547 -0.042 -7.044 579 HB3 ASP 69 HB3 ASP 69 7.213 -1.486 -6.084 580 H ALA 70 H ALA 70 8.894 -3.448 -9.178 581 HA ALA 70 HA ALA 70 7.440 -5.839 -8.827 582 HB1 ALA 70 HB1 ALA 70 10.393 -5.442 -9.280 583 HB2 ALA 70 HB2 ALA 70 9.159 -5.663 -10.523 584 HB3 ALA 70 HB3 ALA 70 9.538 -6.978 -9.407 585 H THR 71 H THR 71 9.911 -4.246 -6.873 586 HA THR 71 HA THR 71 10.264 -6.592 -5.209 587 HB THR 71 HB THR 71 11.459 -3.833 -4.952 588 HG1 THR 71 HG1 THR 71 12.371 -4.640 -6.744 589 HG21 THR 71 HG21 THR 71 12.183 -6.446 -3.630 590 HG22 THR 71 HG22 THR 71 11.418 -5.060 -2.850 591 HG23 THR 71 HG23 THR 71 13.068 -4.927 -3.466 592 H LYS 72 H LYS 72 9.069 -3.253 -4.755 593 HA LYS 72 HA LYS 72 8.467 -3.575 -2.016 594 HB2 LYS 72 HB2 LYS 72 7.613 -1.599 -4.091 595 HB3 LYS 72 HB3 LYS 72 6.888 -1.578 -2.489 596 HG2 LYS 72 HG2 LYS 72 9.027 -1.279 -1.464 597 HG3 LYS 72 HG3 LYS 72 9.843 -1.443 -3.017 598 HD2 LYS 72 HD2 LYS 72 7.990 0.772 -2.156 599 HD3 LYS 72 HD3 LYS 72 9.731 0.880 -2.413 600 HE2 LYS 72 HE2 LYS 72 9.113 0.033 -4.814 601 HE3 LYS 72 HE3 LYS 72 7.518 0.651 -4.383 602 HZ1 LYS 72 HZ1 LYS 72 8.495 2.814 -3.935 603 HZ2 LYS 72 HZ2 LYS 72 8.815 2.334 -5.524 604 HZ3 LYS 72 HZ3 LYS 72 10.028 2.235 -4.354 605 H ARG 73 H ARG 73 6.799 -4.498 -4.852 606 HA ARG 73 HA ARG 73 4.354 -5.109 -3.396 607 HB2 ARG 73 HB2 ARG 73 4.108 -4.330 -5.673 608 HB3 ARG 73 HB3 ARG 73 5.189 -5.584 -6.260 609 HG2 ARG 73 HG2 ARG 73 3.576 -7.282 -5.612 610 HG3 ARG 73 HG3 ARG 73 2.473 -6.022 -5.040 611 HD2 ARG 73 HD2 ARG 73 2.520 -5.047 -7.337 612 HD3 ARG 73 HD3 ARG 73 3.456 -6.442 -7.857 613 HE ARG 73 HE ARG 73 0.927 -7.058 -6.597 614 HH11 ARG 73 HH11 ARG 73 2.628 -6.446 -9.595 615 HH12 ARG 73 HH12 ARG 73 1.419 -7.193 -10.589 616 HH21 ARG 73 HH21 ARG 73 -0.671 -8.050 -7.912 617 HH22 ARG 73 HH22 ARG 73 -0.451 -8.105 -9.630 618 H ASN 74 H ASN 74 7.150 -6.666 -4.721 619 HA ASN 74 HA ASN 74 6.554 -9.338 -4.352 620 HB2 ASN 74 HB2 ASN 74 8.583 -8.581 -5.503 621 HB3 ASN 74 HB3 ASN 74 9.217 -7.960 -3.982 622 HD21 ASN 74 HD21 ASN 74 9.902 -9.394 -2.403 623 HD22 ASN 74 HD22 ASN 74 10.300 -11.035 -2.768 624 H ILE 75 H ILE 75 8.515 -7.399 -2.035 625 HA ILE 75 HA ILE 75 8.458 -9.481 -0.116 626 HB ILE 75 HB ILE 75 9.575 -8.115 1.400 627 HG12 ILE 75 HG12 ILE 75 7.930 -6.273 1.471 628 HG13 ILE 75 HG13 ILE 75 9.586 -5.686 1.412 629 HG21 ILE 75 HG21 ILE 75 11.300 -6.962 0.131 630 HG22 ILE 75 HG22 ILE 75 10.289 -7.035 -1.312 631 HG23 ILE 75 HG23 ILE 75 10.893 -8.523 -0.582 632 HD11 ILE 75 HD11 ILE 75 9.346 -5.149 -0.921 633 HD12 ILE 75 HD12 ILE 75 8.057 -4.388 0.015 634 HD13 ILE 75 HD13 ILE 75 7.722 -5.840 -0.938 635 H TYR 76 H TYR 76 6.345 -6.834 -0.780 636 HA TYR 76 HA TYR 76 4.915 -6.548 1.559 637 HB2 TYR 76 HB2 TYR 76 4.412 -5.003 -0.090 638 HB3 TYR 76 HB3 TYR 76 4.330 -6.219 -1.354 639 HD1 TYR 76 HD1 TYR 76 2.308 -7.603 -1.600 640 HD2 TYR 76 HD2 TYR 76 2.476 -4.357 1.141 641 HE1 TYR 76 HE1 TYR 76 -0.138 -7.602 -1.476 642 HE2 TYR 76 HE2 TYR 76 0.021 -4.343 1.280 643 HH TYR 76 HH TYR 76 -1.882 -6.842 0.236 644 H ASP 77 H ASP 77 4.542 -8.905 -1.024 645 HA ASP 77 HA ASP 77 2.294 -10.176 0.310 646 HB2 ASP 77 HB2 ASP 77 2.125 -10.031 -2.071 647 HB3 ASP 77 HB3 ASP 77 3.729 -10.731 -2.291 648 H LYS 78 H LYS 78 5.709 -10.620 -0.087 649 HA LYS 78 HA LYS 78 5.775 -13.378 0.646 650 HB2 LYS 78 HB2 LYS 78 7.746 -11.295 0.021 651 HB3 LYS 78 HB3 LYS 78 8.298 -12.477 1.193 652 HG2 LYS 78 HG2 LYS 78 9.001 -13.454 -0.744 653 HG3 LYS 78 HG3 LYS 78 7.409 -14.192 -0.583 654 HD2 LYS 78 HD2 LYS 78 7.962 -11.731 -2.221 655 HD3 LYS 78 HD3 LYS 78 7.986 -13.364 -2.881 656 HE2 LYS 78 HE2 LYS 78 5.629 -12.070 -1.528 657 HE3 LYS 78 HE3 LYS 78 5.862 -12.157 -3.268 658 HZ1 LYS 78 HZ1 LYS 78 5.628 -14.506 -1.467 659 HZ2 LYS 78 HZ2 LYS 78 5.746 -14.545 -3.152 660 HZ3 LYS 78 HZ3 LYS 78 4.372 -13.880 -2.414 661 H TYR 79 H TYR 79 6.887 -10.460 2.374 662 HA TYR 79 HA TYR 79 6.276 -11.826 4.907 663 HB2 TYR 79 HB2 TYR 79 8.782 -10.202 4.409 664 HB3 TYR 79 HB3 TYR 79 8.339 -11.008 5.910 665 HD1 TYR 79 HD2 TYR 79 8.187 -13.556 5.900 666 HD2 TYR 79 HD1 TYR 79 9.991 -11.335 2.749 667 HE1 TYR 79 HE2 TYR 79 9.364 -15.581 5.150 668 HE2 TYR 79 HE1 TYR 79 11.167 -13.356 1.990 669 HH TYR 79 HH TYR 79 11.928 -15.524 2.972 670 H GLY 80 H GLY 80 7.337 -8.687 3.567 671 HA2 GLY 80 HA2 GLY 80 6.022 -6.767 3.448 672 HA3 GLY 80 HA3 GLY 80 4.856 -7.522 4.527 673 H SER 81 H SER 81 6.698 -8.148 6.629 674 HA SER 81 HA SER 81 6.298 -5.919 8.203 675 HB2 SER 81 HB2 SER 81 8.477 -7.957 8.661 676 HB3 SER 81 HB3 SER 81 7.617 -7.015 9.877 677 HG SER 81 HG SER 81 5.671 -8.135 8.936 678 H LEU 82 H LEU 82 9.539 -7.002 7.121 679 HA LEU 82 HA LEU 82 10.583 -4.384 7.818 680 HB2 LEU 82 HB2 LEU 82 11.918 -6.201 8.537 681 HB3 LEU 82 HB3 LEU 82 11.864 -6.964 6.961 682 HG LEU 82 HG LEU 82 13.306 -5.223 6.037 683 HD11 LEU 82 HD11 LEU 82 12.599 -3.347 7.415 684 HD12 LEU 82 HD12 LEU 82 14.348 -3.553 7.477 685 HD13 LEU 82 HD13 LEU 82 13.348 -4.089 8.828 686 HD21 LEU 82 HD21 LEU 82 14.385 -6.412 8.585 687 HD22 LEU 82 HD22 LEU 82 15.348 -5.775 7.252 688 HD23 LEU 82 HD23 LEU 82 14.337 -7.200 7.007 689 H GLY 83 H GLY 83 10.703 -6.484 4.955 690 HA2 GLY 83 HA2 GLY 83 12.222 -4.974 3.291 691 HA3 GLY 83 HA3 GLY 83 10.952 -6.038 2.730 692 H LEU 84 H LEU 84 8.743 -4.498 3.775 693 HA LEU 84 HA LEU 84 8.456 -2.746 1.557 694 HB2 LEU 84 HB2 LEU 84 6.572 -3.978 2.596 695 HB3 LEU 84 HB3 LEU 84 6.723 -2.967 4.023 696 HG LEU 84 HG LEU 84 6.172 -0.983 2.643 697 HD11 LEU 84 HD11 LEU 84 5.244 -1.326 0.397 698 HD12 LEU 84 HD12 LEU 84 5.704 -3.026 0.478 699 HD13 LEU 84 HD13 LEU 84 6.947 -1.775 0.488 700 HD21 LEU 84 HD21 LEU 84 4.162 -3.229 2.545 701 HD22 LEU 84 HD22 LEU 84 3.793 -1.516 2.345 702 HD23 LEU 84 HD23 LEU 84 4.416 -2.110 3.884 703 H TYR 85 H TYR 85 8.771 -2.190 5.042 704 HA TYR 85 HA TYR 85 8.576 0.623 4.888 705 HB2 TYR 85 HB2 TYR 85 8.271 0.274 7.074 706 HB3 TYR 85 HB3 TYR 85 8.830 -1.383 6.915 707 HD1 TYR 85 HD2 TYR 85 11.145 -1.969 7.434 708 HD2 TYR 85 HD1 TYR 85 9.726 2.016 7.905 709 HE1 TYR 85 HE2 TYR 85 13.112 -1.437 8.810 710 HE2 TYR 85 HE1 TYR 85 11.690 2.558 9.275 711 HH TYR 85 HH TYR 85 14.397 0.465 9.520 712 H VAL 86 H VAL 86 11.339 -1.580 4.888 713 HA VAL 86 HA VAL 86 13.269 0.512 5.105 714 HB VAL 86 HB VAL 86 13.931 -1.616 5.921 715 HG11 VAL 86 HG11 VAL 86 12.379 -2.942 4.546 716 HG12 VAL 86 HG12 VAL 86 14.000 -3.623 4.637 717 HG13 VAL 86 HG13 VAL 86 13.488 -2.767 3.182 718 HG21 VAL 86 HG21 VAL 86 15.365 -1.091 3.331 719 HG22 VAL 86 HG22 VAL 86 15.949 -2.155 4.609 720 HG23 VAL 86 HG23 VAL 86 15.764 -0.426 4.915 721 H ALA 87 H ALA 87 11.686 -1.146 2.449 722 HA ALA 87 HA ALA 87 13.443 -0.203 0.419 723 HB1 ALA 87 HB1 ALA 87 11.985 -2.133 0.071 724 HB2 ALA 87 HB2 ALA 87 11.726 -0.889 -1.151 725 HB3 ALA 87 HB3 ALA 87 10.572 -1.081 0.170 726 H GLU 88 H GLU 88 10.669 1.122 2.052 727 HA GLU 88 HA GLU 88 10.074 3.218 0.271 728 HB2 GLU 88 HB2 GLU 88 9.770 3.027 3.265 729 HB3 GLU 88 HB3 GLU 88 9.132 4.350 2.303 730 HG2 GLU 88 HG2 GLU 88 7.740 2.743 1.065 731 HG3 GLU 88 HG3 GLU 88 8.350 1.451 2.100 732 H GLN 89 H GLN 89 12.176 3.120 3.137 733 HA GLN 89 HA GLN 89 12.955 5.877 2.696 734 HB2 GLN 89 HB2 GLN 89 13.853 3.932 4.826 735 HB3 GLN 89 HB3 GLN 89 14.155 5.663 4.813 736 HG2 GLN 89 HG2 GLN 89 11.433 4.385 4.956 737 HG3 GLN 89 HG3 GLN 89 12.336 5.007 6.334 738 HE21 GLN 89 HE21 GLN 89 10.760 6.494 6.859 739 HE22 GLN 89 HE22 GLN 89 10.462 7.910 5.913 740 H PHE 90 H PHE 90 14.411 2.673 2.461 741 HA PHE 90 HA PHE 90 16.999 3.885 1.852 742 HB2 PHE 90 HB2 PHE 90 16.199 1.030 2.437 743 HB3 PHE 90 HB3 PHE 90 17.828 1.502 1.941 744 HD1 PHE 90 HD1 PHE 90 15.302 1.761 4.602 745 HD2 PHE 90 HD2 PHE 90 19.329 2.548 3.472 746 HE1 PHE 90 HE1 PHE 90 15.861 2.249 6.946 747 HE2 PHE 90 HE2 PHE 90 19.895 3.036 5.815 748 HZ PHE 90 HZ PHE 90 18.185 2.834 7.561 749 H GLY 91 H GLY 91 14.442 2.055 0.305 750 HA2 GLY 91 HA2 GLY 91 14.199 2.113 -2.093 751 HA3 GLY 91 HA3 GLY 91 15.953 2.231 -2.224 752 H GLU 92 H GLU 92 13.711 0.257 -3.085 753 HA GLU 92 HA GLU 92 13.880 -2.105 -1.626 754 HB2 GLU 92 HB2 GLU 92 13.524 -2.626 -4.454 755 HB3 GLU 92 HB3 GLU 92 12.415 -2.881 -3.116 756 HG2 GLU 92 HG2 GLU 92 11.337 -1.409 -4.556 757 HG3 GLU 92 HG3 GLU 92 11.934 -0.429 -3.220 758 H GLU 93 H GLU 93 15.575 -1.249 -4.614 759 HA GLU 93 HA GLU 93 17.096 -3.598 -4.820 760 HB2 GLU 93 HB2 GLU 93 18.535 -2.287 -6.338 761 HB3 GLU 93 HB3 GLU 93 16.825 -2.045 -6.680 762 HG2 GLU 93 HG2 GLU 93 16.959 0.037 -5.277 763 HG3 GLU 93 HG3 GLU 93 18.707 -0.179 -5.272 764 H ASN 94 H ASN 94 17.393 -0.924 -2.724 765 HA ASN 94 HA ASN 94 20.221 -1.306 -2.218 766 HB2 ASN 94 HB2 ASN 94 18.159 0.627 -1.193 767 HB3 ASN 94 HB3 ASN 94 19.756 0.508 -0.469 768 HD21 ASN 94 HD21 ASN 94 18.435 2.692 -1.929 769 HD22 ASN 94 HD22 ASN 94 19.495 3.088 -3.241 770 H VAL 95 H VAL 95 17.150 -1.750 -0.574 771 HA VAL 95 HA VAL 95 17.794 -2.330 1.990 772 HB VAL 95 HB VAL 95 15.838 -3.613 2.228 773 HG11 VAL 95 HG11 VAL 95 14.154 -2.324 1.145 774 HG12 VAL 95 HG12 VAL 95 15.274 -1.845 -0.127 775 HG13 VAL 95 HG13 VAL 95 15.512 -1.260 1.515 776 HG21 VAL 95 HG21 VAL 95 15.960 -4.201 -0.729 777 HG22 VAL 95 HG22 VAL 95 14.635 -4.658 0.346 778 HG23 VAL 95 HG23 VAL 95 16.243 -5.342 0.589 779 H ASN 96 H ASN 96 18.437 -4.353 -0.752 780 HA ASN 96 HA ASN 96 18.899 -6.834 0.411 781 HB2 ASN 96 HB2 ASN 96 18.883 -6.009 -2.057 782 HB3 ASN 96 HB3 ASN 96 20.605 -5.750 -1.810 783 HD21 ASN 96 HD21 ASN 96 20.937 -8.038 -0.057 784 HD22 ASN 96 HD22 ASN 96 20.823 -9.442 -1.060 785 H THR 97 H THR 97 20.587 -3.909 0.841 786 HA THR 97 HA THR 97 23.149 -4.973 1.503 787 HB THR 97 HB THR 97 22.815 -2.613 0.819 788 HG1 THR 97 HG1 THR 97 24.668 -2.608 1.861 789 HG21 THR 97 HG21 THR 97 21.969 -0.985 2.497 790 HG22 THR 97 HG22 THR 97 21.431 -2.343 3.489 791 HG23 THR 97 HG23 THR 97 20.724 -2.082 1.891 792 H TYR 98 H TYR 98 20.263 -4.107 3.331 793 HA TYR 98 HA TYR 98 21.498 -4.888 5.847 794 HB2 TYR 98 HB2 TYR 98 20.032 -2.904 5.762 795 HB3 TYR 98 HB3 TYR 98 18.692 -3.918 5.219 796 HD1 TYR 98 HD2 TYR 98 21.105 -3.577 8.048 797 HD2 TYR 98 HD1 TYR 98 17.211 -4.750 6.804 798 HE1 TYR 98 HE2 TYR 98 20.481 -3.966 10.391 799 HE2 TYR 98 HE1 TYR 98 16.576 -5.143 9.147 800 HH TYR 98 HH TYR 98 17.586 -5.587 11.283 801 H PHE 99 H PHE 99 19.536 -6.136 3.358 802 HA PHE 99 HA PHE 99 18.563 -8.405 4.852 803 HB2 PHE 99 HB2 PHE 99 18.394 -7.502 2.003 804 HB3 PHE 99 HB3 PHE 99 17.968 -9.151 2.414 805 HD1 PHE 99 HD2 PHE 99 17.153 -5.618 3.091 806 HD2 PHE 99 HD1 PHE 99 15.884 -9.663 3.318 807 HE1 PHE 99 HE2 PHE 99 14.899 -4.870 3.701 808 HE2 PHE 99 HE1 PHE 99 13.619 -8.922 3.929 809 HZ PHE 99 HZ PHE 99 13.120 -6.522 4.125 810 H VAL 100 H VAL 100 18.899 -10.442 3.101 811 HA VAL 100 HA VAL 100 21.290 -11.599 3.749 812 HB VAL 100 HB VAL 100 19.507 -12.988 3.066 813 HG11 VAL 100 HG11 VAL 100 19.552 -11.552 0.414 814 HG12 VAL 100 HG12 VAL 100 18.299 -11.446 1.649 815 HG13 VAL 100 HG13 VAL 100 18.561 -12.964 0.788 816 HG21 VAL 100 HG21 VAL 100 21.704 -13.857 2.484 817 HG22 VAL 100 HG22 VAL 100 21.605 -13.080 0.903 818 HG23 VAL 100 HG23 VAL 100 20.492 -14.384 1.316 Start of MODEL 14 1 H1 MET -4 H1 MET -4 -19.376 -4.256 24.834 2 H2 MET -4 H2 MET -4 -20.734 -5.187 25.211 3 H3 MET -4 H3 MET -4 -20.548 -4.552 23.654 4 HA MET -4 HA MET -4 -18.607 -5.915 23.285 5 HB2 MET -4 HB2 MET -4 -19.271 -7.066 26.003 6 HB3 MET -4 HB3 MET -4 -18.046 -7.682 24.904 7 HG2 MET -4 HG2 MET -4 -16.842 -5.547 25.086 8 HG3 MET -4 HG3 MET -4 -18.051 -4.986 26.239 9 HE1 MET -4 HE1 MET -4 -15.025 -8.384 26.976 10 HE2 MET -4 HE2 MET -4 -15.115 -7.403 25.513 11 HE3 MET -4 HE3 MET -4 -16.380 -8.579 25.866 12 H ARG -3 H ARG -3 -21.847 -6.177 24.142 13 HA ARG -3 HA ARG -3 -23.570 -7.278 23.187 14 HB2 ARG -3 HB2 ARG -3 -22.395 -7.199 21.062 15 HB3 ARG -3 HB3 ARG -3 -21.466 -8.626 21.495 16 HG2 ARG -3 HG2 ARG -3 -23.216 -9.213 19.946 17 HG3 ARG -3 HG3 ARG -3 -23.534 -9.951 21.514 18 HD2 ARG -3 HD2 ARG -3 -24.767 -7.331 20.719 19 HD3 ARG -3 HD3 ARG -3 -25.498 -8.868 20.268 20 HE ARG -3 HE ARG -3 -25.069 -8.998 22.996 21 HH11 ARG -3 HH11 ARG -3 -26.909 -7.010 20.781 22 HH12 ARG -3 HH12 ARG -3 -28.143 -6.633 21.940 23 HH21 ARG -3 HH21 ARG -3 -26.699 -8.523 24.523 24 HH22 ARG -3 HH22 ARG -3 -28.013 -7.481 24.079 25 H SER -2 H SER -2 -20.949 -9.714 23.403 26 HA SER -2 HA SER -2 -22.859 -11.410 24.857 27 HB2 SER -2 HB2 SER -2 -20.334 -12.198 23.387 28 HB3 SER -2 HB3 SER -2 -21.448 -13.307 24.185 29 HG SER -2 HG SER -2 -21.620 -12.135 21.732 30 HA PRO -1 HA PRO -1 -20.481 -10.575 28.496 31 HB2 PRO -1 HB2 PRO -1 -21.609 -12.462 30.096 32 HB3 PRO -1 HB3 PRO -1 -22.415 -10.948 29.674 33 HG2 PRO -1 HG2 PRO -1 -22.776 -13.680 28.507 34 HG3 PRO -1 HG3 PRO -1 -24.003 -12.467 28.919 35 HD2 PRO -1 HD2 PRO -1 -23.136 -12.872 26.385 36 HD3 PRO -1 HD3 PRO -1 -23.668 -11.283 26.975 37 H GLY 0 H GLY 0 -18.407 -11.145 28.528 38 HA2 GLY 0 HA2 GLY 0 -16.640 -12.507 29.212 39 HA3 GLY 0 HA3 GLY 0 -17.722 -13.891 29.182 40 H MET 1 H MET 1 -17.845 -11.954 26.389 41 HA MET 1 HA MET 1 -16.346 -13.993 24.909 42 HB2 MET 1 HB2 MET 1 -18.657 -13.486 24.177 43 HB3 MET 1 HB3 MET 1 -18.187 -11.818 23.889 44 HG2 MET 1 HG2 MET 1 -18.251 -13.022 21.807 45 HG3 MET 1 HG3 MET 1 -16.589 -12.577 22.186 46 HE1 MET 1 HE1 MET 1 -19.216 -15.437 21.911 47 HE2 MET 1 HE2 MET 1 -18.811 -15.531 23.624 48 HE3 MET 1 HE3 MET 1 -18.338 -16.834 22.535 49 H ALA 2 H ALA 2 -14.610 -13.486 23.623 50 HA ALA 2 HA ALA 2 -13.128 -11.133 24.318 51 HB1 ALA 2 HB1 ALA 2 -11.413 -12.035 22.839 52 HB2 ALA 2 HB2 ALA 2 -12.549 -13.243 22.241 53 HB3 ALA 2 HB3 ALA 2 -12.026 -13.282 23.924 54 H ASP 3 H ASP 3 -13.196 -9.226 23.374 55 HA ASP 3 HA ASP 3 -14.838 -8.728 21.106 56 HB2 ASP 3 HB2 ASP 3 -13.931 -6.390 21.295 57 HB3 ASP 3 HB3 ASP 3 -14.678 -7.014 22.761 58 H GLN 4 H GLN 4 -14.313 -8.259 19.035 59 HA GLN 4 HA GLN 4 -11.832 -9.490 18.169 60 HB2 GLN 4 HB2 GLN 4 -12.925 -9.332 15.894 61 HB3 GLN 4 HB3 GLN 4 -13.755 -10.332 17.076 62 HG2 GLN 4 HG2 GLN 4 -15.295 -8.457 17.526 63 HG3 GLN 4 HG3 GLN 4 -14.491 -7.531 16.260 64 HE21 GLN 4 HE21 GLN 4 -14.828 -8.073 14.115 65 HE22 GLN 4 HE22 GLN 4 -16.089 -9.148 13.620 66 H ARG 5 H ARG 5 -10.129 -8.176 18.119 67 HA ARG 5 HA ARG 5 -10.375 -5.648 16.622 68 HB2 ARG 5 HB2 ARG 5 -8.656 -6.103 19.064 69 HB3 ARG 5 HB3 ARG 5 -8.786 -4.605 18.149 70 HG2 ARG 5 HG2 ARG 5 -10.996 -5.930 19.694 71 HG3 ARG 5 HG3 ARG 5 -10.081 -4.507 20.204 72 HD2 ARG 5 HD2 ARG 5 -10.910 -3.283 18.254 73 HD3 ARG 5 HD3 ARG 5 -11.814 -4.705 17.743 74 HE ARG 5 HE ARG 5 -12.355 -3.263 20.258 75 HH11 ARG 5 HH11 ARG 5 -13.463 -5.000 17.417 76 HH12 ARG 5 HH12 ARG 5 -15.145 -4.732 17.762 77 HH21 ARG 5 HH21 ARG 5 -14.574 -2.927 20.703 78 HH22 ARG 5 HH22 ARG 5 -15.771 -3.575 19.624 79 H GLN 6 H GLN 6 -9.165 -8.615 16.601 80 HA GLN 6 HA GLN 6 -6.463 -8.534 16.142 81 HB2 GLN 6 HB2 GLN 6 -8.529 -10.400 15.779 82 HB3 GLN 6 HB3 GLN 6 -7.653 -10.320 14.259 83 HG2 GLN 6 HG2 GLN 6 -5.567 -10.785 15.413 84 HG3 GLN 6 HG3 GLN 6 -6.424 -10.828 16.953 85 HE21 GLN 6 HE21 GLN 6 -7.732 -12.575 17.439 86 HE22 GLN 6 HE22 GLN 6 -7.667 -14.058 16.550 87 H ARG 7 H ARG 7 -5.115 -8.240 14.377 88 HA ARG 7 HA ARG 7 -5.626 -6.171 12.653 89 HB2 ARG 7 HB2 ARG 7 -3.840 -7.364 11.122 90 HB3 ARG 7 HB3 ARG 7 -3.381 -6.592 12.636 91 HG2 ARG 7 HG2 ARG 7 -4.137 -9.452 12.705 92 HG3 ARG 7 HG3 ARG 7 -2.591 -9.019 11.968 93 HD2 ARG 7 HD2 ARG 7 -3.406 -7.922 14.628 94 HD3 ARG 7 HD3 ARG 7 -2.628 -9.506 14.504 95 HE ARG 7 HE ARG 7 -1.008 -7.800 13.100 96 HH11 ARG 7 HH11 ARG 7 -2.273 -7.877 16.357 97 HH12 ARG 7 HH12 ARG 7 -0.901 -7.078 17.053 98 HH21 ARG 7 HH21 ARG 7 0.811 -6.736 14.007 99 HH22 ARG 7 HH22 ARG 7 0.852 -6.420 15.712 100 H SER 8 H SER 8 -5.983 -9.604 12.083 101 HA SER 8 HA SER 8 -6.231 -9.549 9.337 102 HB2 SER 8 HB2 SER 8 -7.392 -11.806 9.764 103 HB3 SER 8 HB3 SER 8 -5.734 -11.595 10.333 104 HG SER 8 HG SER 8 -7.167 -12.526 11.911 105 H LEU 9 H LEU 9 -8.672 -9.289 11.841 106 HA LEU 9 HA LEU 9 -10.834 -9.317 9.915 107 HB2 LEU 9 HB2 LEU 9 -12.287 -9.179 11.885 108 HB3 LEU 9 HB3 LEU 9 -11.128 -10.489 12.007 109 HG LEU 9 HG LEU 9 -9.754 -8.645 13.348 110 HD11 LEU 9 HD11 LEU 9 -11.372 -6.867 13.069 111 HD12 LEU 9 HD12 LEU 9 -11.258 -7.330 14.768 112 HD13 LEU 9 HD13 LEU 9 -12.630 -7.866 13.797 113 HD21 LEU 9 HD21 LEU 9 -10.713 -9.601 15.408 114 HD22 LEU 9 HD22 LEU 9 -10.322 -10.820 14.196 115 HD23 LEU 9 HD23 LEU 9 -11.997 -10.329 14.440 116 H SER 10 H SER 10 -8.903 -7.013 11.593 117 HA SER 10 HA SER 10 -10.789 -4.853 11.344 118 HB2 SER 10 HB2 SER 10 -7.876 -4.795 12.100 119 HB3 SER 10 HB3 SER 10 -9.019 -3.471 12.302 120 HG SER 10 HG SER 10 -8.746 -5.844 13.746 121 H THR 11 H THR 11 -8.396 -6.287 9.379 122 HA THR 11 HA THR 11 -8.488 -3.974 7.555 123 HB THR 11 HB THR 11 -6.341 -4.878 6.598 124 HG1 THR 11 HG1 THR 11 -6.391 -6.464 8.977 125 HG21 THR 11 HG21 THR 11 -4.914 -3.989 8.382 126 HG22 THR 11 HG22 THR 11 -6.265 -4.080 9.511 127 HG23 THR 11 HG23 THR 11 -6.336 -2.975 8.138 128 H SER 12 H SER 12 -8.447 -4.512 5.261 129 HA SER 12 HA SER 12 -10.261 -6.667 4.683 130 HB2 SER 12 HB2 SER 12 -8.872 -4.807 2.742 131 HB3 SER 12 HB3 SER 12 -10.343 -5.739 2.459 132 HG SER 12 HG SER 12 -10.925 -4.365 4.547 133 H GLY 13 H GLY 13 -7.003 -6.544 5.088 134 HA2 GLY 13 HA2 GLY 13 -5.640 -8.491 4.846 135 HA3 GLY 13 HA3 GLY 13 -6.596 -8.944 3.441 136 H GLU 14 H GLU 14 -6.601 -6.583 2.037 137 HA GLU 14 HA GLU 14 -3.777 -6.227 1.337 138 HB2 GLU 14 HB2 GLU 14 -4.559 -5.385 -0.789 139 HB3 GLU 14 HB3 GLU 14 -5.385 -6.900 -0.456 140 HG2 GLU 14 HG2 GLU 14 -7.122 -5.108 0.602 141 HG3 GLU 14 HG3 GLU 14 -6.444 -4.190 -0.742 142 H SER 15 H SER 15 -2.907 -4.099 1.186 143 HA SER 15 HA SER 15 -4.427 -2.204 2.847 144 HB2 SER 15 HB2 SER 15 -2.466 -3.120 4.007 145 HB3 SER 15 HB3 SER 15 -1.427 -2.550 2.702 146 HG SER 15 HG SER 15 -3.084 -0.865 4.275 147 H LEU 16 H LEU 16 -1.667 -2.089 0.567 148 HA LEU 16 HA LEU 16 -2.016 0.625 -0.071 149 HB2 LEU 16 HB2 LEU 16 -0.645 -1.626 -1.525 150 HB3 LEU 16 HB3 LEU 16 -0.647 0.012 -2.136 151 HG LEU 16 HG LEU 16 1.429 -0.455 -1.045 152 HD11 LEU 16 HD11 LEU 16 -0.252 1.399 0.629 153 HD12 LEU 16 HD12 LEU 16 0.627 1.821 -0.842 154 HD13 LEU 16 HD13 LEU 16 1.511 1.353 0.608 155 HD21 LEU 16 HD21 LEU 16 -0.157 -1.063 1.435 156 HD22 LEU 16 HD22 LEU 16 1.601 -0.969 1.331 157 HD23 LEU 16 HD23 LEU 16 0.733 -2.227 0.453 158 H TYR 17 H TYR 17 -2.943 -2.299 -1.802 159 HA TYR 17 HA TYR 17 -4.320 -1.197 -3.933 160 HB2 TYR 17 HB2 TYR 17 -4.997 -3.696 -2.364 161 HB3 TYR 17 HB3 TYR 17 -5.654 -3.297 -3.947 162 HD1 TYR 17 HD2 TYR 17 -4.084 -3.171 -5.918 163 HD2 TYR 17 HD1 TYR 17 -2.885 -4.712 -2.143 164 HE1 TYR 17 HE2 TYR 17 -2.161 -4.279 -6.981 165 HE2 TYR 17 HE1 TYR 17 -0.963 -5.824 -3.190 166 HH TYR 17 HH TYR 17 -0.285 -6.628 -5.377 167 H HIS 18 H HIS 18 -5.367 -1.658 -0.610 168 HA HIS 18 HA HIS 18 -8.124 -1.176 -1.062 169 HB2 HIS 18 HB2 HIS 18 -7.155 -2.388 0.913 170 HB3 HIS 18 HB3 HIS 18 -6.604 -0.836 1.529 171 HD1 HIS 18 HD1 HIS 18 -8.253 0.494 2.882 172 HD2 HIS 18 HD2 HIS 18 -10.040 -2.615 0.783 173 HE1 HIS 18 HE1 HIS 18 -10.631 0.406 3.694 174 HE2 HIS 18 HE2 HIS 18 -11.644 -1.575 2.519 175 H VAL 19 H VAL 19 -5.390 0.937 -0.492 176 HA VAL 19 HA VAL 19 -6.992 3.212 0.235 177 HB VAL 19 HB VAL 19 -5.080 4.280 0.710 178 HG11 VAL 19 HG11 VAL 19 -2.978 2.828 0.729 179 HG12 VAL 19 HG12 VAL 19 -4.010 1.541 0.113 180 HG13 VAL 19 HG13 VAL 19 -4.365 2.285 1.672 181 HG21 VAL 19 HG21 VAL 19 -4.590 5.067 -1.450 182 HG22 VAL 19 HG22 VAL 19 -4.122 3.465 -2.030 183 HG23 VAL 19 HG23 VAL 19 -3.088 4.329 -0.883 184 H LEU 20 H LEU 20 -5.666 1.872 -2.702 185 HA LEU 20 HA LEU 20 -6.257 4.260 -4.227 186 HB2 LEU 20 HB2 LEU 20 -4.893 1.672 -4.803 187 HB3 LEU 20 HB3 LEU 20 -5.441 2.667 -6.140 188 HG LEU 20 HG LEU 20 -3.437 3.421 -4.012 189 HD11 LEU 20 HD11 LEU 20 -2.505 1.972 -5.700 190 HD12 LEU 20 HD12 LEU 20 -1.905 3.618 -5.936 191 HD13 LEU 20 HD13 LEU 20 -3.177 2.981 -6.981 192 HD21 LEU 20 HD21 LEU 20 -4.703 5.377 -4.488 193 HD22 LEU 20 HD22 LEU 20 -4.657 5.060 -6.223 194 HD23 LEU 20 HD23 LEU 20 -3.179 5.503 -5.363 195 H GLY 21 H GLY 21 -7.892 1.503 -3.302 196 HA2 GLY 21 HA2 GLY 21 -10.102 0.974 -3.685 197 HA3 GLY 21 HA3 GLY 21 -10.177 2.272 -4.866 198 H LEU 22 H LEU 22 -7.603 0.131 -5.365 199 HA LEU 22 HA LEU 22 -9.162 -1.337 -7.380 200 HB2 LEU 22 HB2 LEU 22 -6.840 -1.715 -8.425 201 HB3 LEU 22 HB3 LEU 22 -7.601 -0.154 -8.629 202 HG LEU 22 HG LEU 22 -6.187 0.584 -6.604 203 HD11 LEU 22 HD11 LEU 22 -5.460 -1.596 -5.859 204 HD12 LEU 22 HD12 LEU 22 -4.071 -0.627 -6.359 205 HD13 LEU 22 HD13 LEU 22 -4.690 -1.897 -7.416 206 HD21 LEU 22 HD21 LEU 22 -4.867 -0.091 -9.222 207 HD22 LEU 22 HD22 LEU 22 -4.301 1.093 -8.042 208 HD23 LEU 22 HD23 LEU 22 -5.831 1.347 -8.879 209 H ASP 23 H ASP 23 -8.286 -3.545 -7.842 210 HA ASP 23 HA ASP 23 -7.748 -4.847 -5.279 211 HB2 ASP 23 HB2 ASP 23 -8.520 -6.878 -6.273 212 HB3 ASP 23 HB3 ASP 23 -9.672 -5.619 -6.665 213 H LYS 24 H LYS 24 -6.662 -7.126 -5.974 214 HA LYS 24 HA LYS 24 -3.922 -6.238 -6.028 215 HB2 LYS 24 HB2 LYS 24 -4.989 -9.046 -5.734 216 HB3 LYS 24 HB3 LYS 24 -3.429 -8.435 -5.207 217 HG2 LYS 24 HG2 LYS 24 -4.282 -7.413 -3.367 218 HG3 LYS 24 HG3 LYS 24 -5.839 -7.131 -4.146 219 HD2 LYS 24 HD2 LYS 24 -5.014 -9.927 -3.540 220 HD3 LYS 24 HD3 LYS 24 -5.627 -8.906 -2.235 221 HE2 LYS 24 HE2 LYS 24 -7.104 -9.135 -4.832 222 HE3 LYS 24 HE3 LYS 24 -7.302 -10.358 -3.574 223 HZ1 LYS 24 HZ1 LYS 24 -7.727 -7.446 -3.140 224 HZ2 LYS 24 HZ2 LYS 24 -8.103 -8.708 -2.077 225 HZ3 LYS 24 HZ3 LYS 24 -8.967 -8.540 -3.518 226 H ASN 25 H ASN 25 -5.792 -6.671 -8.503 227 HA ASN 25 HA ASN 25 -3.836 -8.205 -10.078 228 HB2 ASN 25 HB2 ASN 25 -6.832 -7.989 -10.433 229 HB3 ASN 25 HB3 ASN 25 -5.750 -8.778 -11.577 230 HD21 ASN 25 HD21 ASN 25 -7.031 -8.864 -8.316 231 HD22 ASN 25 HD22 ASN 25 -6.752 -10.557 -8.064 232 H ALA 26 H ALA 26 -4.631 -5.244 -9.347 233 HA ALA 26 HA ALA 26 -5.088 -3.933 -11.801 234 HB1 ALA 26 HB1 ALA 26 -3.816 -2.978 -9.243 235 HB2 ALA 26 HB2 ALA 26 -5.484 -2.732 -9.773 236 HB3 ALA 26 HB3 ALA 26 -4.155 -1.927 -10.626 237 H THR 27 H THR 27 -3.635 -2.782 -13.104 238 HA THR 27 HA THR 27 -0.898 -3.879 -13.044 239 HB THR 27 HB THR 27 -2.196 -4.383 -15.111 240 HG1 THR 27 HG1 THR 27 -0.456 -2.849 -16.380 241 HG21 THR 27 HG21 THR 27 -3.586 -2.378 -15.181 242 HG22 THR 27 HG22 THR 27 -2.698 -2.579 -16.692 243 HG23 THR 27 HG23 THR 27 -2.161 -1.391 -15.503 244 H SER 28 H SER 28 0.671 -2.187 -14.168 245 HA SER 28 HA SER 28 1.091 -0.106 -12.427 246 HB2 SER 28 HB2 SER 28 2.676 -0.987 -14.208 247 HB3 SER 28 HB3 SER 28 1.811 0.028 -15.360 248 HG SER 28 HG SER 28 3.560 0.725 -13.310 249 H ASP 29 H ASP 29 -0.676 -0.087 -15.456 250 HA ASP 29 HA ASP 29 -1.333 2.593 -15.661 251 HB2 ASP 29 HB2 ASP 29 -1.756 1.052 -17.470 252 HB3 ASP 29 HB3 ASP 29 -2.920 0.163 -16.493 253 H ASP 30 H ASP 30 -3.112 0.028 -13.885 254 HA ASP 30 HA ASP 30 -5.316 1.715 -13.268 255 HB2 ASP 30 HB2 ASP 30 -4.316 -0.868 -12.075 256 HB3 ASP 30 HB3 ASP 30 -5.801 -0.085 -11.545 257 H ILE 31 H ILE 31 -2.375 0.764 -11.648 258 HA ILE 31 HA ILE 31 -2.942 1.839 -9.110 259 HB ILE 31 HB ILE 31 -0.316 1.182 -10.446 260 HG12 ILE 31 HG12 ILE 31 -1.620 -0.467 -8.327 261 HG13 ILE 31 HG13 ILE 31 -2.280 -0.533 -9.958 262 HG21 ILE 31 HG21 ILE 31 0.038 2.708 -8.579 263 HG22 ILE 31 HG22 ILE 31 0.626 1.091 -8.191 264 HG23 ILE 31 HG23 ILE 31 -0.907 1.655 -7.526 265 HD11 ILE 31 HD11 ILE 31 0.576 -1.118 -9.220 266 HD12 ILE 31 HD12 ILE 31 -0.151 -1.267 -10.821 267 HD13 ILE 31 HD13 ILE 31 -0.680 -2.324 -9.509 268 H LYS 32 H LYS 32 -1.193 3.172 -11.901 269 HA LYS 32 HA LYS 32 -0.340 5.525 -10.568 270 HB2 LYS 32 HB2 LYS 32 -0.739 5.123 -13.530 271 HB3 LYS 32 HB3 LYS 32 0.213 6.384 -12.763 272 HG2 LYS 32 HG2 LYS 32 0.819 3.461 -12.477 273 HG3 LYS 32 HG3 LYS 32 1.508 4.482 -13.739 274 HD2 LYS 32 HD2 LYS 32 2.501 5.924 -12.037 275 HD3 LYS 32 HD3 LYS 32 1.793 4.920 -10.766 276 HE2 LYS 32 HE2 LYS 32 3.096 3.037 -11.439 277 HE3 LYS 32 HE3 LYS 32 3.679 3.890 -12.870 278 HZ1 LYS 32 HZ1 LYS 32 4.804 5.471 -11.376 279 HZ2 LYS 32 HZ2 LYS 32 5.371 3.893 -11.182 280 HZ3 LYS 32 HZ3 LYS 32 4.316 4.554 -10.041 281 H LYS 33 H LYS 33 -3.053 4.915 -12.801 282 HA LYS 33 HA LYS 33 -4.045 7.540 -12.794 283 HB2 LYS 33 HB2 LYS 33 -5.603 4.981 -13.185 284 HB3 LYS 33 HB3 LYS 33 -6.109 6.589 -13.685 285 HG2 LYS 33 HG2 LYS 33 -4.076 6.666 -15.146 286 HG3 LYS 33 HG3 LYS 33 -3.821 4.967 -14.762 287 HD2 LYS 33 HD2 LYS 33 -6.271 6.131 -16.084 288 HD3 LYS 33 HD3 LYS 33 -4.993 5.221 -16.889 289 HE2 LYS 33 HE2 LYS 33 -5.523 3.282 -15.444 290 HE3 LYS 33 HE3 LYS 33 -6.859 4.198 -14.750 291 HZ1 LYS 33 HZ1 LYS 33 -7.855 4.331 -16.952 292 HZ2 LYS 33 HZ2 LYS 33 -7.621 2.722 -16.493 293 HZ3 LYS 33 HZ3 LYS 33 -6.574 3.440 -17.606 294 H SER 34 H SER 34 -4.917 4.734 -10.792 295 HA SER 34 HA SER 34 -6.901 5.936 -9.251 296 HB2 SER 34 HB2 SER 34 -4.910 3.817 -8.429 297 HB3 SER 34 HB3 SER 34 -6.391 4.216 -7.557 298 HG SER 34 HG SER 34 -6.094 3.047 -10.114 299 H TYR 35 H TYR 35 -3.390 6.011 -8.921 300 HA TYR 35 HA TYR 35 -3.240 7.345 -6.483 301 HB2 TYR 35 HB2 TYR 35 -1.175 6.607 -7.357 302 HB3 TYR 35 HB3 TYR 35 -1.445 7.403 -8.912 303 HD1 TYR 35 HD1 TYR 35 -0.931 8.145 -5.287 304 HD2 TYR 35 HD2 TYR 35 -0.522 9.531 -9.294 305 HE1 TYR 35 HE1 TYR 35 0.367 10.071 -4.488 306 HE2 TYR 35 HE2 TYR 35 0.773 11.448 -8.502 307 HH TYR 35 HH TYR 35 2.109 11.636 -5.447 308 H ARG 36 H ARG 36 -3.296 8.735 -9.763 309 HA ARG 36 HA ARG 36 -3.278 11.414 -9.026 310 HB2 ARG 36 HB2 ARG 36 -4.644 10.145 -11.410 311 HB3 ARG 36 HB3 ARG 36 -4.269 11.855 -11.247 312 HG2 ARG 36 HG2 ARG 36 -2.218 9.651 -11.262 313 HG3 ARG 36 HG3 ARG 36 -2.671 10.615 -12.668 314 HD2 ARG 36 HD2 ARG 36 -1.898 12.630 -11.588 315 HD3 ARG 36 HD3 ARG 36 -1.580 11.750 -10.094 316 HE ARG 36 HE ARG 36 -0.127 10.654 -12.285 317 HH11 ARG 36 HH11 ARG 36 -0.153 13.331 -10.024 318 HH12 ARG 36 HH12 ARG 36 1.571 13.530 -10.043 319 HH21 ARG 36 HH21 ARG 36 2.153 10.922 -12.307 320 HH22 ARG 36 HH22 ARG 36 2.876 12.160 -11.332 321 H LYS 37 H LYS 37 -6.071 9.405 -9.808 322 HA LYS 37 HA LYS 37 -8.152 11.128 -9.466 323 HB2 LYS 37 HB2 LYS 37 -7.953 8.215 -8.707 324 HB3 LYS 37 HB3 LYS 37 -9.470 9.100 -8.767 325 HG2 LYS 37 HG2 LYS 37 -9.465 9.222 -11.059 326 HG3 LYS 37 HG3 LYS 37 -7.711 9.064 -11.168 327 HD2 LYS 37 HD2 LYS 37 -9.144 7.061 -11.902 328 HD3 LYS 37 HD3 LYS 37 -7.777 6.746 -10.832 329 HE2 LYS 37 HE2 LYS 37 -9.278 6.687 -8.914 330 HE3 LYS 37 HE3 LYS 37 -10.649 7.058 -9.958 331 HZ1 LYS 37 HZ1 LYS 37 -10.417 4.670 -9.397 332 HZ2 LYS 37 HZ2 LYS 37 -8.956 4.637 -10.249 333 HZ3 LYS 37 HZ3 LYS 37 -10.400 4.974 -11.058 334 H LEU 38 H LEU 38 -6.449 9.356 -6.923 335 HA LEU 38 HA LEU 38 -8.226 10.452 -4.888 336 HB2 LEU 38 HB2 LEU 38 -5.930 8.513 -4.773 337 HB3 LEU 38 HB3 LEU 38 -6.896 8.996 -3.392 338 HG LEU 38 HG LEU 38 -8.048 7.679 -5.844 339 HD11 LEU 38 HD11 LEU 38 -6.490 6.167 -4.804 340 HD12 LEU 38 HD12 LEU 38 -8.142 5.639 -4.489 341 HD13 LEU 38 HD13 LEU 38 -7.217 6.453 -3.225 342 HD21 LEU 38 HD21 LEU 38 -9.675 8.944 -4.611 343 HD22 LEU 38 HD22 LEU 38 -9.142 8.229 -3.091 344 HD23 LEU 38 HD23 LEU 38 -9.937 7.230 -4.305 345 H ALA 39 H ALA 39 -4.957 10.780 -6.024 346 HA ALA 39 HA ALA 39 -3.644 11.962 -3.932 347 HB1 ALA 39 HB1 ALA 39 -2.132 12.928 -5.547 348 HB2 ALA 39 HB2 ALA 39 -3.325 12.708 -6.829 349 HB3 ALA 39 HB3 ALA 39 -2.599 11.302 -6.049 350 H LEU 40 H LEU 40 -5.578 13.694 -6.393 351 HA LEU 40 HA LEU 40 -5.131 16.176 -4.997 352 HB2 LEU 40 HB2 LEU 40 -7.066 16.967 -6.608 353 HB3 LEU 40 HB3 LEU 40 -5.409 16.830 -7.131 354 HG LEU 40 HG LEU 40 -7.210 16.027 -8.713 355 HD11 LEU 40 HD11 LEU 40 -4.904 14.276 -7.953 356 HD12 LEU 40 HD12 LEU 40 -4.975 15.508 -9.214 357 HD13 LEU 40 HD13 LEU 40 -5.885 14.003 -9.393 358 HD21 LEU 40 HD21 LEU 40 -7.257 13.599 -6.956 359 HD22 LEU 40 HD22 LEU 40 -8.119 13.839 -8.474 360 HD23 LEU 40 HD23 LEU 40 -8.551 14.792 -7.054 361 H LYS 41 H LYS 41 -7.699 13.865 -5.274 362 HA LYS 41 HA LYS 41 -9.710 15.083 -3.824 363 HB2 LYS 41 HB2 LYS 41 -10.048 12.983 -4.944 364 HB3 LYS 41 HB3 LYS 41 -8.817 12.202 -3.967 365 HG2 LYS 41 HG2 LYS 41 -10.260 12.504 -1.984 366 HG3 LYS 41 HG3 LYS 41 -11.512 13.164 -3.041 367 HD2 LYS 41 HD2 LYS 41 -11.586 11.085 -4.290 368 HD3 LYS 41 HD3 LYS 41 -10.276 10.428 -3.314 369 HE2 LYS 41 HE2 LYS 41 -11.661 10.529 -1.339 370 HE3 LYS 41 HE3 LYS 41 -12.972 11.262 -2.262 371 HZ1 LYS 41 HZ1 LYS 41 -13.338 8.900 -1.947 372 HZ2 LYS 41 HZ2 LYS 41 -11.863 8.538 -2.682 373 HZ3 LYS 41 HZ3 LYS 41 -13.107 9.238 -3.588 374 H TYR 42 H TYR 42 -6.778 13.511 -2.681 375 HA TYR 42 HA TYR 42 -7.444 14.409 0.043 376 HB2 TYR 42 HB2 TYR 42 -5.973 11.977 -0.928 377 HB3 TYR 42 HB3 TYR 42 -5.692 12.608 0.694 378 HD1 TYR 42 HD2 TYR 42 -7.649 12.716 2.313 379 HD2 TYR 42 HD1 TYR 42 -7.874 10.707 -1.427 380 HE1 TYR 42 HE2 TYR 42 -9.637 11.492 3.087 381 HE2 TYR 42 HE1 TYR 42 -9.859 9.485 -0.661 382 HH TYR 42 HH TYR 42 -11.574 10.322 2.141 383 H HIS 43 H HIS 43 -6.126 15.941 -2.110 384 HA HIS 43 HA HIS 43 -3.348 16.091 -1.604 385 HB2 HIS 43 HB2 HIS 43 -5.035 17.160 -3.481 386 HB3 HIS 43 HB3 HIS 43 -4.659 18.569 -2.500 387 HD1 HIS 43 HD1 HIS 43 -2.772 19.830 -3.462 388 HD2 HIS 43 HD2 HIS 43 -2.341 15.742 -4.063 389 HE1 HIS 43 HE1 HIS 43 -0.589 19.554 -4.668 390 HE2 HIS 43 HE2 HIS 43 -0.263 17.065 -4.853 391 HA PRO 44 HA PRO 44 -2.736 18.004 2.278 392 HB2 PRO 44 HB2 PRO 44 -1.583 20.440 1.303 393 HB3 PRO 44 HB3 PRO 44 -0.771 19.057 2.027 394 HG2 PRO 44 HG2 PRO 44 -1.131 19.759 -0.806 395 HG3 PRO 44 HG3 PRO 44 0.103 18.738 -0.046 396 HD2 PRO 44 HD2 PRO 44 -1.861 17.706 -1.544 397 HD3 PRO 44 HD3 PRO 44 -1.244 16.850 -0.119 398 H ASP 45 H ASP 45 -4.009 20.312 -0.146 399 HA ASP 45 HA ASP 45 -4.974 22.062 1.916 400 HB2 ASP 45 HB2 ASP 45 -4.190 22.971 -0.218 401 HB3 ASP 45 HB3 ASP 45 -5.470 22.108 -1.064 402 H LYS 46 H LYS 46 -6.165 19.251 0.566 403 HA LYS 46 HA LYS 46 -8.980 19.832 0.870 404 HB2 LYS 46 HB2 LYS 46 -7.684 17.113 0.863 405 HB3 LYS 46 HB3 LYS 46 -9.297 17.540 0.348 406 HG2 LYS 46 HG2 LYS 46 -6.903 18.603 -1.064 407 HG3 LYS 46 HG3 LYS 46 -7.533 17.012 -1.418 408 HD2 LYS 46 HD2 LYS 46 -9.279 19.439 -1.512 409 HD3 LYS 46 HD3 LYS 46 -8.240 18.978 -2.860 410 HE2 LYS 46 HE2 LYS 46 -10.388 18.091 -3.276 411 HE3 LYS 46 HE3 LYS 46 -9.306 16.763 -2.890 412 HZ1 LYS 46 HZ1 LYS 46 -10.252 16.596 -0.726 413 HZ2 LYS 46 HZ2 LYS 46 -11.526 16.615 -1.835 414 HZ3 LYS 46 HZ3 LYS 46 -11.172 18.001 -0.935 415 H ASN 47 H ASN 47 -6.539 19.615 3.017 416 HA ASN 47 HA ASN 47 -7.867 17.764 4.867 417 HB2 ASN 47 HB2 ASN 47 -5.009 18.737 4.906 418 HB3 ASN 47 HB3 ASN 47 -5.700 17.520 5.951 419 HD21 ASN 47 HD21 ASN 47 -6.119 17.857 2.448 420 HD22 ASN 47 HD22 ASN 47 -5.398 16.333 2.083 421 HA PRO 48 HA PRO 48 -8.377 21.182 7.810 422 HB2 PRO 48 HB2 PRO 48 -9.085 18.928 9.560 423 HB3 PRO 48 HB3 PRO 48 -10.017 20.375 9.168 424 HG2 PRO 48 HG2 PRO 48 -10.721 17.971 8.222 425 HG3 PRO 48 HG3 PRO 48 -10.895 19.435 7.233 426 HD2 PRO 48 HD2 PRO 48 -8.742 17.341 7.150 427 HD3 PRO 48 HD3 PRO 48 -9.602 18.125 5.806 428 H ASP 49 H ASP 49 -7.967 20.374 10.487 429 HA ASP 49 HA ASP 49 -5.139 20.644 10.556 430 HB2 ASP 49 HB2 ASP 49 -6.857 21.645 12.126 431 HB3 ASP 49 HB3 ASP 49 -6.940 20.060 12.891 432 H ASN 50 H ASN 50 -7.339 17.996 10.810 433 HA ASN 50 HA ASN 50 -5.677 16.165 12.175 434 HB2 ASN 50 HB2 ASN 50 -7.214 14.445 11.375 435 HB3 ASN 50 HB3 ASN 50 -8.111 15.833 11.965 436 HD21 ASN 50 HD21 ASN 50 -8.827 13.690 10.071 437 HD22 ASN 50 HD22 ASN 50 -9.305 14.504 8.618 438 HA PRO 51 HA PRO 51 -3.064 15.004 8.756 439 HB2 PRO 51 HB2 PRO 51 -1.567 13.199 10.023 440 HB3 PRO 51 HB3 PRO 51 -1.481 14.911 10.449 441 HG2 PRO 51 HG2 PRO 51 -2.831 12.669 11.873 442 HG3 PRO 51 HG3 PRO 51 -2.009 14.089 12.537 443 HD2 PRO 51 HD2 PRO 51 -4.783 13.778 12.198 444 HD3 PRO 51 HD3 PRO 51 -3.929 15.293 12.544 445 H GLU 52 H GLU 52 -5.715 13.495 9.488 446 HA GLU 52 HA GLU 52 -5.281 10.735 8.918 447 HB2 GLU 52 HB2 GLU 52 -7.265 11.549 10.129 448 HB3 GLU 52 HB3 GLU 52 -7.765 12.452 8.699 449 HG2 GLU 52 HG2 GLU 52 -8.104 10.400 7.481 450 HG3 GLU 52 HG3 GLU 52 -7.518 9.455 8.848 451 H ALA 53 H ALA 53 -6.592 13.423 7.041 452 HA ALA 53 HA ALA 53 -6.847 11.946 4.643 453 HB1 ALA 53 HB1 ALA 53 -8.139 13.970 5.225 454 HB2 ALA 53 HB2 ALA 53 -7.380 14.058 3.632 455 HB3 ALA 53 HB3 ALA 53 -6.678 14.931 4.996 456 H ALA 54 H ALA 54 -4.282 13.673 6.168 457 HA ALA 54 HA ALA 54 -2.520 13.797 3.932 458 HB1 ALA 54 HB1 ALA 54 -1.909 13.815 6.889 459 HB2 ALA 54 HB2 ALA 54 -2.236 15.235 5.895 460 HB3 ALA 54 HB3 ALA 54 -0.793 14.266 5.598 461 H ASP 55 H ASP 55 -2.987 11.590 6.647 462 HA ASP 55 HA ASP 55 -1.090 9.651 5.983 463 HB2 ASP 55 HB2 ASP 55 -3.596 9.733 7.570 464 HB3 ASP 55 HB3 ASP 55 -3.032 8.141 7.094 465 H LYS 56 H LYS 56 -4.374 10.176 4.902 466 HA LYS 56 HA LYS 56 -4.694 7.980 3.212 467 HB2 LYS 56 HB2 LYS 56 -5.792 10.727 3.352 468 HB3 LYS 56 HB3 LYS 56 -6.056 9.836 1.867 469 HG2 LYS 56 HG2 LYS 56 -6.898 9.027 4.633 470 HG3 LYS 56 HG3 LYS 56 -7.922 9.615 3.327 471 HD2 LYS 56 HD2 LYS 56 -6.386 7.016 3.399 472 HD3 LYS 56 HD3 LYS 56 -8.138 7.229 3.470 473 HE2 LYS 56 HE2 LYS 56 -8.109 8.138 1.194 474 HE3 LYS 56 HE3 LYS 56 -6.359 7.912 1.135 475 HZ1 LYS 56 HZ1 LYS 56 -6.707 5.528 1.480 476 HZ2 LYS 56 HZ2 LYS 56 -7.460 6.078 0.062 477 HZ3 LYS 56 HZ3 LYS 56 -8.386 5.765 1.440 478 H PHE 57 H PHE 57 -3.769 11.283 2.249 479 HA PHE 57 HA PHE 57 -2.969 10.710 -0.319 480 HB2 PHE 57 HB2 PHE 57 -3.109 13.003 0.589 481 HB3 PHE 57 HB3 PHE 57 -1.633 12.708 1.507 482 HD1 PHE 57 HD1 PHE 57 -2.012 11.377 -1.885 483 HD2 PHE 57 HD2 PHE 57 -0.500 14.583 0.471 484 HE1 PHE 57 HE1 PHE 57 -0.700 12.149 -3.798 485 HE2 PHE 57 HE2 PHE 57 0.834 15.355 -1.446 486 HZ PHE 57 HZ PHE 57 0.734 14.139 -3.585 487 H LYS 58 H LYS 58 -1.151 10.337 2.627 488 HA LYS 58 HA LYS 58 1.356 9.726 1.611 489 HB2 LYS 58 HB2 LYS 58 0.633 10.134 3.982 490 HB3 LYS 58 HB3 LYS 58 0.068 8.474 4.024 491 HG2 LYS 58 HG2 LYS 58 2.348 7.703 3.571 492 HG3 LYS 58 HG3 LYS 58 2.900 9.382 3.583 493 HD2 LYS 58 HD2 LYS 58 1.670 7.840 5.868 494 HD3 LYS 58 HD3 LYS 58 3.329 8.425 5.750 495 HE2 LYS 58 HE2 LYS 58 2.607 10.704 5.887 496 HE3 LYS 58 HE3 LYS 58 0.910 10.231 5.750 497 HZ1 LYS 58 HZ1 LYS 58 2.655 9.398 8.007 498 HZ2 LYS 58 HZ2 LYS 58 0.967 9.257 7.896 499 HZ3 LYS 58 HZ3 LYS 58 1.685 10.783 8.044 500 H GLU 59 H GLU 59 -1.306 7.482 2.422 501 HA GLU 59 HA GLU 59 0.100 5.176 1.491 502 HB2 GLU 59 HB2 GLU 59 -2.164 4.091 1.674 503 HB3 GLU 59 HB3 GLU 59 -1.508 4.774 3.145 504 HG2 GLU 59 HG2 GLU 59 -2.926 6.688 2.937 505 HG3 GLU 59 HG3 GLU 59 -3.513 6.127 1.377 506 H ILE 60 H ILE 60 -2.212 7.393 -0.049 507 HA ILE 60 HA ILE 60 -2.588 5.942 -2.452 508 HB ILE 60 HB ILE 60 -2.243 8.938 -2.403 509 HG12 ILE 60 HG12 ILE 60 -4.843 7.511 -1.841 510 HG13 ILE 60 HG13 ILE 60 -3.816 8.171 -0.571 511 HG21 ILE 60 HG21 ILE 60 -4.059 7.211 -4.058 512 HG22 ILE 60 HG22 ILE 60 -2.480 7.790 -4.569 513 HG23 ILE 60 HG23 ILE 60 -3.772 8.939 -4.245 514 HD11 ILE 60 HD11 ILE 60 -4.007 10.394 -1.729 515 HD12 ILE 60 HD12 ILE 60 -5.493 9.779 -1.008 516 HD13 ILE 60 HD13 ILE 60 -5.242 9.669 -2.752 517 H ASN 61 H ASN 61 -0.297 8.457 -1.569 518 HA ASN 61 HA ASN 61 1.242 8.428 -3.919 519 HB2 ASN 61 HB2 ASN 61 1.096 10.267 -2.225 520 HB3 ASN 61 HB3 ASN 61 2.046 9.270 -1.120 521 HD21 ASN 61 HD21 ASN 61 3.611 10.879 -1.034 522 HD22 ASN 61 HD22 ASN 61 4.742 11.121 -2.320 523 H ASN 62 H ASN 62 1.316 6.568 -0.993 524 HA ASN 62 HA ASN 62 3.835 5.318 -1.375 525 HB2 ASN 62 HB2 ASN 62 1.897 5.365 0.614 526 HB3 ASN 62 HB3 ASN 62 1.871 3.703 0.036 527 HD21 ASN 62 HD21 ASN 62 3.590 2.405 0.383 528 HD22 ASN 62 HD22 ASN 62 4.934 2.833 1.388 529 H ALA 63 H ALA 63 0.537 4.044 -1.765 530 HA ALA 63 HA ALA 63 1.186 1.606 -2.913 531 HB1 ALA 63 HB1 ALA 63 -1.130 1.558 -3.712 532 HB2 ALA 63 HB2 ALA 63 -1.281 3.279 -3.365 533 HB3 ALA 63 HB3 ALA 63 -1.026 2.131 -2.048 534 H HIS 64 H HIS 64 0.821 4.738 -4.385 535 HA HIS 64 HA HIS 64 0.644 4.242 -7.059 536 HB2 HIS 64 HB2 HIS 64 0.613 6.469 -6.237 537 HB3 HIS 64 HB3 HIS 64 2.223 6.318 -5.547 538 HD1 HIS 64 HD1 HIS 64 4.082 7.200 -6.927 539 HD2 HIS 64 HD2 HIS 64 0.666 6.490 -9.182 540 HE1 HIS 64 HE1 HIS 64 4.575 8.128 -9.204 541 HE2 HIS 64 HE2 HIS 64 2.437 7.834 -10.503 542 H ALA 65 H ALA 65 3.589 4.079 -5.085 543 HA ALA 65 HA ALA 65 5.139 3.256 -7.417 544 HB1 ALA 65 HB1 ALA 65 7.074 3.402 -5.940 545 HB2 ALA 65 HB2 ALA 65 6.012 3.724 -4.568 546 HB3 ALA 65 HB3 ALA 65 6.126 4.888 -5.888 547 H ILE 66 H ILE 66 3.921 2.012 -4.374 548 HA ILE 66 HA ILE 66 5.493 -0.236 -4.064 549 HB ILE 66 HB ILE 66 2.583 -0.052 -3.291 550 HG12 ILE 66 HG12 ILE 66 3.587 1.873 -2.355 551 HG13 ILE 66 HG13 ILE 66 3.552 0.685 -1.057 552 HG21 ILE 66 HG21 ILE 66 4.819 -1.660 -2.066 553 HG22 ILE 66 HG22 ILE 66 3.569 -2.299 -3.130 554 HG23 ILE 66 HG23 ILE 66 3.132 -1.640 -1.552 555 HD11 ILE 66 HD11 ILE 66 5.901 0.197 -1.431 556 HD12 ILE 66 HD12 ILE 66 5.643 1.912 -1.104 557 HD13 ILE 66 HD13 ILE 66 5.938 1.362 -2.757 558 H LEU 67 H LEU 67 2.305 -0.079 -5.685 559 HA LEU 67 HA LEU 67 2.258 -2.916 -5.978 560 HB2 LEU 67 HB2 LEU 67 0.489 -0.772 -7.111 561 HB3 LEU 67 HB3 LEU 67 0.232 -2.476 -7.408 562 HG LEU 67 HG LEU 67 -1.034 -2.550 -5.591 563 HD11 LEU 67 HD11 LEU 67 -0.044 -2.434 -3.368 564 HD12 LEU 67 HD12 LEU 67 1.405 -1.695 -4.047 565 HD13 LEU 67 HD13 LEU 67 0.977 -3.352 -4.477 566 HD21 LEU 67 HD21 LEU 67 -0.058 0.218 -4.929 567 HD22 LEU 67 HD22 LEU 67 -1.456 -0.588 -4.215 568 HD23 LEU 67 HD23 LEU 67 -1.453 -0.181 -5.931 569 H THR 68 H THR 68 3.049 -0.268 -8.195 570 HA THR 68 HA THR 68 3.260 -2.065 -10.434 571 HB THR 68 HB THR 68 2.630 0.227 -10.871 572 HG1 THR 68 HG1 THR 68 4.856 -0.923 -11.992 573 HG21 THR 68 HG21 THR 68 4.371 2.025 -10.594 574 HG22 THR 68 HG22 THR 68 5.254 0.895 -9.570 575 HG23 THR 68 HG23 THR 68 3.635 1.426 -9.112 576 H ASP 69 H ASP 69 5.218 -1.300 -7.801 577 HA ASP 69 HA ASP 69 7.727 -1.881 -9.145 578 HB2 ASP 69 HB2 ASP 69 7.583 -0.238 -7.234 579 HB3 ASP 69 HB3 ASP 69 7.196 -1.604 -6.181 580 H ALA 70 H ALA 70 8.809 -3.787 -9.019 581 HA ALA 70 HA ALA 70 7.310 -6.131 -8.524 582 HB1 ALA 70 HB1 ALA 70 9.385 -7.337 -8.995 583 HB2 ALA 70 HB2 ALA 70 10.279 -5.816 -8.935 584 HB3 ALA 70 HB3 ALA 70 9.074 -6.081 -10.196 585 H THR 71 H THR 71 9.827 -4.448 -6.676 586 HA THR 71 HA THR 71 10.034 -6.644 -4.800 587 HB THR 71 HB THR 71 11.317 -3.910 -4.693 588 HG1 THR 71 HG1 THR 71 12.295 -4.878 -6.370 589 HG21 THR 71 HG21 THR 71 11.844 -6.449 -3.151 590 HG22 THR 71 HG22 THR 71 11.154 -4.956 -2.512 591 HG23 THR 71 HG23 THR 71 12.829 -4.986 -3.072 592 H LYS 72 H LYS 72 8.933 -3.233 -4.649 593 HA LYS 72 HA LYS 72 8.265 -3.257 -1.924 594 HB2 LYS 72 HB2 LYS 72 7.617 -1.533 -4.228 595 HB3 LYS 72 HB3 LYS 72 6.460 -1.487 -2.912 596 HG2 LYS 72 HG2 LYS 72 7.816 0.155 -2.186 597 HG3 LYS 72 HG3 LYS 72 8.700 -1.205 -1.496 598 HD2 LYS 72 HD2 LYS 72 10.261 0.237 -2.586 599 HD3 LYS 72 HD3 LYS 72 10.106 -1.234 -3.547 600 HE2 LYS 72 HE2 LYS 72 8.653 -0.120 -5.106 601 HE3 LYS 72 HE3 LYS 72 8.641 1.337 -4.111 602 HZ1 LYS 72 HZ1 LYS 72 11.011 0.190 -5.505 603 HZ2 LYS 72 HZ2 LYS 72 11.021 1.573 -4.531 604 HZ3 LYS 72 HZ3 LYS 72 10.148 1.568 -5.977 605 H ARG 73 H ARG 73 6.592 -4.466 -4.684 606 HA ARG 73 HA ARG 73 4.122 -4.909 -3.229 607 HB2 ARG 73 HB2 ARG 73 3.892 -4.368 -5.552 608 HB3 ARG 73 HB3 ARG 73 5.049 -5.606 -6.015 609 HG2 ARG 73 HG2 ARG 73 3.471 -7.332 -5.277 610 HG3 ARG 73 HG3 ARG 73 2.299 -6.069 -4.884 611 HD2 ARG 73 HD2 ARG 73 2.297 -5.337 -7.212 612 HD3 ARG 73 HD3 ARG 73 3.485 -6.572 -7.610 613 HE ARG 73 HE ARG 73 1.084 -7.623 -6.429 614 HH11 ARG 73 HH11 ARG 73 2.616 -6.642 -9.420 615 HH12 ARG 73 HH12 ARG 73 1.574 -7.599 -10.419 616 HH21 ARG 73 HH21 ARG 73 -0.307 -8.872 -7.739 617 HH22 ARG 73 HH22 ARG 73 -0.093 -8.873 -9.461 618 H ASN 74 H ASN 74 6.905 -6.638 -4.360 619 HA ASN 74 HA ASN 74 6.164 -9.255 -3.839 620 HB2 ASN 74 HB2 ASN 74 8.216 -8.645 -5.050 621 HB3 ASN 74 HB3 ASN 74 8.891 -7.989 -3.564 622 HD21 ASN 74 HD21 ASN 74 9.475 -9.375 -1.913 623 HD22 ASN 74 HD22 ASN 74 9.818 -11.037 -2.207 624 H ILE 75 H ILE 75 8.185 -7.211 -1.678 625 HA ILE 75 HA ILE 75 8.041 -9.156 0.387 626 HB ILE 75 HB ILE 75 9.283 -7.774 1.773 627 HG12 ILE 75 HG12 ILE 75 7.788 -5.822 1.775 628 HG13 ILE 75 HG13 ILE 75 9.471 -5.349 1.590 629 HG21 ILE 75 HG21 ILE 75 11.057 -6.841 0.403 630 HG22 ILE 75 HG22 ILE 75 10.009 -6.912 -1.015 631 HG23 ILE 75 HG23 ILE 75 10.517 -8.402 -0.214 632 HD11 ILE 75 HD11 ILE 75 9.129 -5.000 -0.777 633 HD12 ILE 75 HD12 ILE 75 7.977 -4.056 0.169 634 HD13 ILE 75 HD13 ILE 75 7.455 -5.545 -0.631 635 H TYR 76 H TYR 76 6.031 -6.499 -0.503 636 HA TYR 76 HA TYR 76 4.671 -5.992 1.868 637 HB2 TYR 76 HB2 TYR 76 4.156 -4.485 0.206 638 HB3 TYR 76 HB3 TYR 76 4.083 -5.722 -1.040 639 HD1 TYR 76 HD2 TYR 76 2.237 -3.989 1.595 640 HD2 TYR 76 HD1 TYR 76 2.010 -6.906 -1.491 641 HE1 TYR 76 HE2 TYR 76 -0.213 -3.949 1.751 642 HE2 TYR 76 HE1 TYR 76 -0.446 -6.875 -1.345 643 HH TYR 76 HH TYR 76 -2.154 -4.495 0.433 644 H ASP 77 H ASP 77 4.063 -8.390 -0.650 645 HA ASP 77 HA ASP 77 1.829 -9.519 0.812 646 HB2 ASP 77 HB2 ASP 77 1.636 -9.522 -1.576 647 HB3 ASP 77 HB3 ASP 77 3.202 -10.311 -1.762 648 H LYS 78 H LYS 78 5.217 -10.082 0.435 649 HA LYS 78 HA LYS 78 5.175 -12.781 1.400 650 HB2 LYS 78 HB2 LYS 78 7.213 -10.871 0.526 651 HB3 LYS 78 HB3 LYS 78 7.746 -11.915 1.833 652 HG2 LYS 78 HG2 LYS 78 8.382 -13.165 0.042 653 HG3 LYS 78 HG3 LYS 78 6.757 -13.801 0.289 654 HD2 LYS 78 HD2 LYS 78 7.415 -11.591 -1.643 655 HD3 LYS 78 HD3 LYS 78 7.377 -13.293 -2.093 656 HE2 LYS 78 HE2 LYS 78 5.068 -11.748 -0.934 657 HE3 LYS 78 HE3 LYS 78 5.304 -12.070 -2.649 658 HZ1 LYS 78 HZ1 LYS 78 5.056 -14.399 -2.260 659 HZ2 LYS 78 HZ2 LYS 78 3.744 -13.609 -1.535 660 HZ3 LYS 78 HZ3 LYS 78 5.020 -14.185 -0.584 661 H TYR 79 H TYR 79 6.459 -9.771 2.853 662 HA TYR 79 HA TYR 79 5.708 -10.832 5.488 663 HB2 TYR 79 HB2 TYR 79 8.349 -9.481 4.891 664 HB3 TYR 79 HB3 TYR 79 7.813 -10.072 6.461 665 HD1 TYR 79 HD2 TYR 79 7.279 -12.608 6.617 666 HD2 TYR 79 HD1 TYR 79 9.601 -10.869 3.505 667 HE1 TYR 79 HE2 TYR 79 8.293 -14.799 6.154 668 HE2 TYR 79 HE1 TYR 79 10.621 -13.054 3.037 669 HH TYR 79 HH TYR 79 9.404 -15.951 4.249 670 H GLY 80 H GLY 80 7.170 -7.888 4.065 671 HA2 GLY 80 HA2 GLY 80 6.114 -5.822 3.787 672 HA3 GLY 80 HA3 GLY 80 4.776 -6.394 4.777 673 H SER 81 H SER 81 6.720 -7.248 6.892 674 HA SER 81 HA SER 81 6.438 -4.954 8.485 675 HB2 SER 81 HB2 SER 81 8.018 -6.348 10.025 676 HB3 SER 81 HB3 SER 81 6.400 -6.952 9.665 677 HG SER 81 HG SER 81 7.494 -8.664 9.081 678 H LEU 82 H LEU 82 9.523 -6.554 7.666 679 HA LEU 82 HA LEU 82 10.897 -4.037 8.142 680 HB2 LEU 82 HB2 LEU 82 11.988 -5.883 9.107 681 HB3 LEU 82 HB3 LEU 82 11.818 -6.850 7.659 682 HG LEU 82 HG LEU 82 13.469 -5.412 6.516 683 HD11 LEU 82 HD11 LEU 82 13.135 -3.348 7.748 684 HD12 LEU 82 HD12 LEU 82 14.823 -3.850 7.826 685 HD13 LEU 82 HD13 LEU 82 13.762 -4.102 9.212 686 HD21 LEU 82 HD21 LEU 82 14.407 -6.584 9.127 687 HD22 LEU 82 HD22 LEU 82 15.418 -6.229 7.725 688 HD23 LEU 82 HD23 LEU 82 14.165 -7.466 7.617 689 H GLY 83 H GLY 83 10.867 -6.462 5.533 690 HA2 GLY 83 HA2 GLY 83 12.577 -5.252 3.779 691 HA3 GLY 83 HA3 GLY 83 11.258 -6.289 3.280 692 H LEU 84 H LEU 84 9.193 -4.416 4.212 693 HA LEU 84 HA LEU 84 9.115 -2.796 1.838 694 HB2 LEU 84 HB2 LEU 84 7.086 -3.857 2.724 695 HB3 LEU 84 HB3 LEU 84 7.223 -2.907 4.190 696 HG LEU 84 HG LEU 84 6.869 -0.847 2.868 697 HD11 LEU 84 HD11 LEU 84 6.390 -2.755 0.582 698 HD12 LEU 84 HD12 LEU 84 7.727 -1.613 0.722 699 HD13 LEU 84 HD13 LEU 84 6.073 -1.020 0.562 700 HD21 LEU 84 HD21 LEU 84 4.738 -2.953 2.533 701 HD22 LEU 84 HD22 LEU 84 4.491 -1.209 2.431 702 HD23 LEU 84 HD23 LEU 84 4.987 -1.942 3.956 703 H TYR 85 H TYR 85 9.161 -2.133 5.321 704 HA TYR 85 HA TYR 85 9.147 0.656 5.130 705 HB2 TYR 85 HB2 TYR 85 8.788 0.345 7.310 706 HB3 TYR 85 HB3 TYR 85 9.279 -1.334 7.171 707 HD1 TYR 85 HD2 TYR 85 11.586 -1.998 7.708 708 HD2 TYR 85 HD1 TYR 85 10.258 2.010 8.242 709 HE1 TYR 85 HE2 TYR 85 13.548 -1.543 9.113 710 HE2 TYR 85 HE1 TYR 85 12.225 2.480 9.638 711 HH TYR 85 HH TYR 85 13.831 1.257 11.025 712 H VAL 86 H VAL 86 11.847 -1.629 5.280 713 HA VAL 86 HA VAL 86 13.847 0.395 5.425 714 HB VAL 86 HB VAL 86 14.380 -1.771 6.297 715 HG11 VAL 86 HG11 VAL 86 12.869 -3.069 4.868 716 HG12 VAL 86 HG12 VAL 86 14.482 -3.770 4.972 717 HG13 VAL 86 HG13 VAL 86 14.003 -2.878 3.526 718 HG21 VAL 86 HG21 VAL 86 16.394 -2.397 4.867 719 HG22 VAL 86 HG22 VAL 86 16.333 -0.758 5.524 720 HG23 VAL 86 HG23 VAL 86 15.919 -1.045 3.835 721 H ALA 87 H ALA 87 12.235 -1.311 2.807 722 HA ALA 87 HA ALA 87 14.088 -0.501 0.794 723 HB1 ALA 87 HB1 ALA 87 12.465 -1.307 -0.796 724 HB2 ALA 87 HB2 ALA 87 11.238 -1.407 0.467 725 HB3 ALA 87 HB3 ALA 87 12.652 -2.460 0.524 726 H GLU 88 H GLU 88 11.246 0.895 2.244 727 HA GLU 88 HA GLU 88 10.808 2.884 0.251 728 HB2 GLU 88 HB2 GLU 88 10.006 2.810 3.162 729 HB3 GLU 88 HB3 GLU 88 9.445 4.003 2.001 730 HG2 GLU 88 HG2 GLU 88 8.458 2.153 0.669 731 HG3 GLU 88 HG3 GLU 88 8.903 1.045 1.967 732 H GLN 89 H GLN 89 12.361 2.951 3.450 733 HA GLN 89 HA GLN 89 13.208 5.674 3.137 734 HB2 GLN 89 HB2 GLN 89 13.967 3.583 5.181 735 HB3 GLN 89 HB3 GLN 89 14.450 5.270 5.255 736 HG2 GLN 89 HG2 GLN 89 12.069 5.909 5.358 737 HG3 GLN 89 HG3 GLN 89 11.643 4.198 5.391 738 HE21 GLN 89 HE21 GLN 89 14.457 5.520 6.989 739 HE22 GLN 89 HE22 GLN 89 13.898 5.260 8.602 740 H PHE 90 H PHE 90 14.895 2.540 3.177 741 HA PHE 90 HA PHE 90 17.397 3.888 2.591 742 HB2 PHE 90 HB2 PHE 90 16.749 1.010 3.243 743 HB3 PHE 90 HB3 PHE 90 18.375 1.578 2.845 744 HD1 PHE 90 HD1 PHE 90 15.651 1.724 5.302 745 HD2 PHE 90 HD2 PHE 90 19.665 2.835 4.428 746 HE1 PHE 90 HE1 PHE 90 15.994 2.330 7.660 747 HE2 PHE 90 HE2 PHE 90 20.014 3.442 6.785 748 HZ PHE 90 HZ PHE 90 18.189 3.216 8.395 749 H GLY 91 H GLY 91 15.096 1.755 0.977 750 HA2 GLY 91 HA2 GLY 91 14.965 1.987 -1.453 751 HA3 GLY 91 HA3 GLY 91 16.723 2.097 -1.471 752 H GLU 92 H GLU 92 14.594 0.176 -2.607 753 HA GLU 92 HA GLU 92 14.775 -2.256 -1.181 754 HB2 GLU 92 HB2 GLU 92 14.254 -2.635 -4.007 755 HB3 GLU 92 HB3 GLU 92 13.219 -2.953 -2.620 756 HG2 GLU 92 HG2 GLU 92 11.989 -1.379 -3.678 757 HG3 GLU 92 HG3 GLU 92 12.966 -0.360 -2.626 758 H GLU 93 H GLU 93 16.548 -0.928 -3.889 759 HA GLU 93 HA GLU 93 18.093 -3.249 -4.426 760 HB2 GLU 93 HB2 GLU 93 19.569 -1.721 -5.666 761 HB3 GLU 93 HB3 GLU 93 17.877 -1.443 -6.057 762 HG2 GLU 93 HG2 GLU 93 17.914 0.442 -4.399 763 HG3 GLU 93 HG3 GLU 93 19.659 0.221 -4.299 764 H ASN 94 H ASN 94 18.201 -0.870 -1.986 765 HA ASN 94 HA ASN 94 21.013 -1.264 -1.357 766 HB2 ASN 94 HB2 ASN 94 18.857 0.551 -0.307 767 HB3 ASN 94 HB3 ASN 94 20.408 0.395 0.503 768 HD21 ASN 94 HD21 ASN 94 19.136 2.675 -0.868 769 HD22 ASN 94 HD22 ASN 94 20.278 3.189 -2.065 770 H VAL 95 H VAL 95 17.860 -1.934 -0.019 771 HA VAL 95 HA VAL 95 18.228 -2.592 2.554 772 HB VAL 95 HB VAL 95 16.399 -4.115 2.488 773 HG11 VAL 95 HG11 VAL 95 16.011 -1.994 0.404 774 HG12 VAL 95 HG12 VAL 95 15.841 -1.794 2.145 775 HG13 VAL 95 HG13 VAL 95 14.728 -2.841 1.266 776 HG21 VAL 95 HG21 VAL 95 17.174 -5.531 0.635 777 HG22 VAL 95 HG22 VAL 95 16.728 -4.258 -0.505 778 HG23 VAL 95 HG23 VAL 95 15.483 -5.058 0.457 779 H ASN 96 H ASN 96 19.433 -4.528 -0.091 780 HA ASN 96 HA ASN 96 19.825 -6.976 1.198 781 HB2 ASN 96 HB2 ASN 96 20.020 -6.557 -1.240 782 HB3 ASN 96 HB3 ASN 96 21.542 -5.720 -0.953 783 HD21 ASN 96 HD21 ASN 96 19.925 -8.794 -1.002 784 HD22 ASN 96 HD22 ASN 96 21.347 -9.773 -0.948 785 H THR 97 H THR 97 21.285 -3.984 1.787 786 HA THR 97 HA THR 97 23.782 -4.911 2.825 787 HB THR 97 HB THR 97 23.460 -2.585 2.050 788 HG1 THR 97 HG1 THR 97 24.835 -3.308 4.070 789 HG21 THR 97 HG21 THR 97 21.615 -2.353 4.430 790 HG22 THR 97 HG22 THR 97 21.181 -2.180 2.727 791 HG23 THR 97 HG23 THR 97 22.226 -0.985 3.499 792 H TYR 98 H TYR 98 20.617 -4.184 4.151 793 HA TYR 98 HA TYR 98 21.453 -4.806 6.860 794 HB2 TYR 98 HB2 TYR 98 19.875 -2.944 6.399 795 HB3 TYR 98 HB3 TYR 98 18.718 -4.112 5.758 796 HD1 TYR 98 HD2 TYR 98 20.343 -2.838 8.805 797 HD2 TYR 98 HD1 TYR 98 17.432 -5.510 7.235 798 HE1 TYR 98 HE2 TYR 98 19.419 -3.150 11.062 799 HE2 TYR 98 HE1 TYR 98 16.501 -5.830 9.488 800 HH TYR 98 HH TYR 98 17.268 -3.826 12.097 801 H PHE 99 H PHE 99 19.813 -6.181 4.159 802 HA PHE 99 HA PHE 99 18.933 -8.541 5.575 803 HB2 PHE 99 HB2 PHE 99 18.841 -7.634 2.707 804 HB3 PHE 99 HB3 PHE 99 18.434 -9.287 3.144 805 HD1 PHE 99 HD2 PHE 99 17.452 -5.793 3.360 806 HD2 PHE 99 HD1 PHE 99 16.415 -9.788 4.355 807 HE1 PHE 99 HE2 PHE 99 15.159 -5.058 3.895 808 HE2 PHE 99 HE1 PHE 99 14.128 -9.077 4.892 809 HZ PHE 99 HZ PHE 99 13.472 -6.734 4.642 810 H VAL 100 H VAL 100 19.505 -10.519 3.791 811 HA VAL 100 HA VAL 100 21.953 -11.473 4.579 812 HB VAL 100 HB VAL 100 20.309 -12.997 3.805 813 HG11 VAL 100 HG11 VAL 100 19.129 -11.591 2.235 814 HG12 VAL 100 HG12 VAL 100 19.580 -13.105 1.453 815 HG13 VAL 100 HG13 VAL 100 20.494 -11.634 1.122 816 HG21 VAL 100 HG21 VAL 100 21.552 -14.345 2.170 817 HG22 VAL 100 HG22 VAL 100 22.591 -13.734 3.456 818 HG23 VAL 100 HG23 VAL 100 22.617 -12.973 1.865 Start of MODEL 15 1 H1 MET -4 H1 MET -4 -13.079 4.356 23.967 2 H2 MET -4 H2 MET -4 -14.390 3.296 24.107 3 H3 MET -4 H3 MET -4 -14.327 4.689 25.058 4 HA MET -4 HA MET -4 -15.894 4.938 23.251 5 HB2 MET -4 HB2 MET -4 -15.109 7.071 22.429 6 HB3 MET -4 HB3 MET -4 -14.665 6.904 24.122 7 HG2 MET -4 HG2 MET -4 -12.390 6.351 23.496 8 HG3 MET -4 HG3 MET -4 -12.821 6.436 21.788 9 HE1 MET -4 HE1 MET -4 -14.780 9.011 21.772 10 HE2 MET -4 HE2 MET -4 -13.551 8.646 20.563 11 HE3 MET -4 HE3 MET -4 -13.598 10.239 21.318 12 H ARG -3 H ARG -3 -13.248 3.155 22.439 13 HA ARG -3 HA ARG -3 -13.951 3.263 19.590 14 HB2 ARG -3 HB2 ARG -3 -11.794 4.416 19.939 15 HB3 ARG -3 HB3 ARG -3 -11.153 2.972 20.707 16 HG2 ARG -3 HG2 ARG -3 -10.395 3.211 18.392 17 HG3 ARG -3 HG3 ARG -3 -11.341 1.741 18.632 18 HD2 ARG -3 HD2 ARG -3 -13.293 2.805 17.666 19 HD3 ARG -3 HD3 ARG -3 -12.414 4.323 17.502 20 HE ARG -3 HE ARG -3 -10.873 2.766 16.044 21 HH11 ARG -3 HH11 ARG -3 -14.363 2.908 16.158 22 HH12 ARG -3 HH12 ARG -3 -14.568 2.389 14.517 23 HH21 ARG -3 HH21 ARG -3 -11.138 2.101 13.866 24 HH22 ARG -3 HH22 ARG -3 -12.739 1.928 13.215 25 H SER -2 H SER -2 -15.257 1.487 19.826 26 HA SER -2 HA SER -2 -14.653 -0.853 21.221 27 HB2 SER -2 HB2 SER -2 -16.403 -0.657 18.768 28 HB3 SER -2 HB3 SER -2 -16.535 -1.814 20.089 29 HG SER -2 HG SER -2 -17.447 0.774 19.917 30 HA PRO -1 HA PRO -1 -11.498 -2.429 18.475 31 HB2 PRO -1 HB2 PRO -1 -10.967 -4.680 19.891 32 HB3 PRO -1 HB3 PRO -1 -10.378 -3.086 20.372 33 HG2 PRO -1 HG2 PRO -1 -12.716 -4.633 21.404 34 HG3 PRO -1 HG3 PRO -1 -11.524 -3.675 22.299 35 HD2 PRO -1 HD2 PRO -1 -14.012 -2.762 21.690 36 HD3 PRO -1 HD3 PRO -1 -12.604 -1.696 21.862 37 H GLY 0 H GLY 0 -11.488 -3.852 16.794 38 HA2 GLY 0 HA2 GLY 0 -12.153 -5.621 15.458 39 HA3 GLY 0 HA3 GLY 0 -13.172 -6.188 16.773 40 H MET 1 H MET 1 -13.373 -2.930 15.531 41 HA MET 1 HA MET 1 -16.120 -3.453 14.727 42 HB2 MET 1 HB2 MET 1 -15.805 -1.478 16.078 43 HB3 MET 1 HB3 MET 1 -14.563 -0.877 14.988 44 HG2 MET 1 HG2 MET 1 -16.218 -0.610 13.221 45 HG3 MET 1 HG3 MET 1 -17.469 -1.243 14.287 46 HE1 MET 1 HE1 MET 1 -18.537 0.037 16.257 47 HE2 MET 1 HE2 MET 1 -17.913 1.547 16.920 48 HE3 MET 1 HE3 MET 1 -16.966 0.067 17.058 49 H ALA 2 H ALA 2 -16.367 -4.235 12.762 50 HA ALA 2 HA ALA 2 -15.180 -2.761 10.533 51 HB1 ALA 2 HB1 ALA 2 -13.730 -4.700 10.870 52 HB2 ALA 2 HB2 ALA 2 -14.620 -4.830 9.352 53 HB3 ALA 2 HB3 ALA 2 -15.126 -5.771 10.756 54 H ASP 3 H ASP 3 -16.648 -2.325 8.994 55 HA ASP 3 HA ASP 3 -19.322 -3.407 9.332 56 HB2 ASP 3 HB2 ASP 3 -18.950 -0.975 8.938 57 HB3 ASP 3 HB3 ASP 3 -18.340 -1.364 7.334 58 H GLN 4 H GLN 4 -19.795 -5.258 8.390 59 HA GLN 4 HA GLN 4 -18.247 -6.022 6.020 60 HB2 GLN 4 HB2 GLN 4 -18.900 -8.388 6.708 61 HB3 GLN 4 HB3 GLN 4 -17.726 -7.550 7.708 62 HG2 GLN 4 HG2 GLN 4 -19.456 -7.049 9.342 63 HG3 GLN 4 HG3 GLN 4 -20.655 -7.852 8.328 64 HE21 GLN 4 HE21 GLN 4 -20.655 -10.082 8.174 65 HE22 GLN 4 HE22 GLN 4 -19.777 -11.086 9.272 66 H ARG 5 H ARG 5 -19.412 -5.451 4.310 67 HA ARG 5 HA ARG 5 -22.192 -6.394 4.139 68 HB2 ARG 5 HB2 ARG 5 -20.792 -4.436 2.309 69 HB3 ARG 5 HB3 ARG 5 -22.509 -4.803 2.344 70 HG2 ARG 5 HG2 ARG 5 -20.942 -3.447 4.526 71 HG3 ARG 5 HG3 ARG 5 -22.054 -2.670 3.398 72 HD2 ARG 5 HD2 ARG 5 -23.918 -3.799 4.317 73 HD3 ARG 5 HD3 ARG 5 -22.885 -4.892 5.238 74 HE ARG 5 HE ARG 5 -22.207 -2.464 6.208 75 HH11 ARG 5 HH11 ARG 5 -25.301 -4.055 5.741 76 HH12 ARG 5 HH12 ARG 5 -26.036 -3.298 7.120 77 HH21 ARG 5 HH21 ARG 5 -23.157 -1.490 8.018 78 HH22 ARG 5 HH22 ARG 5 -24.819 -1.830 8.412 79 H GLN 6 H GLN 6 -19.019 -6.695 2.843 80 HA GLN 6 HA GLN 6 -19.891 -8.914 1.164 81 HB2 GLN 6 HB2 GLN 6 -18.194 -6.595 0.260 82 HB3 GLN 6 HB3 GLN 6 -18.213 -8.132 -0.583 83 HG2 GLN 6 HG2 GLN 6 -20.673 -6.508 -0.056 84 HG3 GLN 6 HG3 GLN 6 -19.703 -6.343 -1.518 85 HE21 GLN 6 HE21 GLN 6 -19.097 -9.187 -1.663 86 HE22 GLN 6 HE22 GLN 6 -20.552 -9.966 -2.174 87 H ARG 7 H ARG 7 -18.362 -10.572 1.014 88 HA ARG 7 HA ARG 7 -16.613 -10.928 3.140 89 HB2 ARG 7 HB2 ARG 7 -17.434 -12.844 2.057 90 HB3 ARG 7 HB3 ARG 7 -16.999 -12.241 0.466 91 HG2 ARG 7 HG2 ARG 7 -15.505 -13.965 0.940 92 HG3 ARG 7 HG3 ARG 7 -14.611 -12.462 1.160 93 HD2 ARG 7 HD2 ARG 7 -14.938 -12.609 3.572 94 HD3 ARG 7 HD3 ARG 7 -15.870 -14.091 3.368 95 HE ARG 7 HE ARG 7 -13.225 -14.258 2.262 96 HH11 ARG 7 HH11 ARG 7 -15.149 -14.614 5.167 97 HH12 ARG 7 HH12 ARG 7 -13.999 -15.639 5.962 98 HH21 ARG 7 HH21 ARG 7 -11.708 -15.632 3.307 99 HH22 ARG 7 HH22 ARG 7 -12.043 -16.213 4.909 100 H SER 8 H SER 8 -16.107 -9.778 -0.127 101 HA SER 8 HA SER 8 -13.283 -9.844 -0.066 102 HB2 SER 8 HB2 SER 8 -14.493 -9.994 -2.133 103 HB3 SER 8 HB3 SER 8 -15.224 -8.412 -1.876 104 HG SER 8 HG SER 8 -12.492 -9.013 -2.374 105 H LEU 9 H LEU 9 -15.619 -7.411 0.923 106 HA LEU 9 HA LEU 9 -13.543 -5.378 1.011 107 HB2 LEU 9 HB2 LEU 9 -15.262 -3.794 1.558 108 HB3 LEU 9 HB3 LEU 9 -15.785 -4.769 0.203 109 HG LEU 9 HG LEU 9 -17.122 -6.126 1.942 110 HD11 LEU 9 HD11 LEU 9 -16.633 -3.602 3.517 111 HD12 LEU 9 HD12 LEU 9 -16.124 -5.232 3.962 112 HD13 LEU 9 HD13 LEU 9 -17.840 -4.830 3.898 113 HD21 LEU 9 HD21 LEU 9 -18.073 -4.630 0.237 114 HD22 LEU 9 HD22 LEU 9 -17.902 -3.278 1.353 115 HD23 LEU 9 HD23 LEU 9 -18.990 -4.608 1.741 116 H SER 10 H SER 10 -15.100 -7.606 3.100 117 HA SER 10 HA SER 10 -14.387 -6.244 5.535 118 HB2 SER 10 HB2 SER 10 -15.285 -9.095 5.198 119 HB3 SER 10 HB3 SER 10 -15.382 -8.113 6.657 120 HG SER 10 HG SER 10 -16.979 -8.087 4.366 121 H THR 11 H THR 11 -13.368 -9.188 3.853 122 HA THR 11 HA THR 11 -10.778 -8.984 5.233 123 HB THR 11 HB THR 11 -10.660 -11.514 4.657 124 HG1 THR 11 HG1 THR 11 -12.609 -11.465 3.378 125 HG21 THR 11 HG21 THR 11 -11.750 -12.107 6.762 126 HG22 THR 11 HG22 THR 11 -12.567 -10.545 6.790 127 HG23 THR 11 HG23 THR 11 -10.813 -10.624 6.942 128 H SER 12 H SER 12 -9.645 -7.871 3.718 129 HA SER 12 HA SER 12 -9.678 -8.863 0.965 130 HB2 SER 12 HB2 SER 12 -8.352 -6.663 0.592 131 HB3 SER 12 HB3 SER 12 -10.083 -6.563 0.914 132 HG SER 12 HG SER 12 -7.917 -5.851 2.536 133 H GLY 13 H GLY 13 -7.376 -7.806 3.457 134 HA2 GLY 13 HA2 GLY 13 -5.393 -8.989 4.005 135 HA3 GLY 13 HA3 GLY 13 -5.439 -9.752 2.421 136 H GLU 14 H GLU 14 -6.015 -7.156 1.131 137 HA GLU 14 HA GLU 14 -3.266 -6.298 0.836 138 HB2 GLU 14 HB2 GLU 14 -4.104 -4.992 -1.049 139 HB3 GLU 14 HB3 GLU 14 -4.670 -6.655 -1.149 140 HG2 GLU 14 HG2 GLU 14 -6.615 -5.246 0.294 141 HG3 GLU 14 HG3 GLU 14 -6.176 -4.228 -1.075 142 H SER 15 H SER 15 -2.599 -4.125 0.982 143 HA SER 15 HA SER 15 -4.254 -2.467 2.762 144 HB2 SER 15 HB2 SER 15 -1.957 -1.528 3.474 145 HB3 SER 15 HB3 SER 15 -2.401 -3.134 4.054 146 HG SER 15 HG SER 15 -0.490 -3.578 3.233 147 H LEU 16 H LEU 16 -1.462 -2.114 0.568 148 HA LEU 16 HA LEU 16 -1.895 0.576 -0.071 149 HB2 LEU 16 HB2 LEU 16 -0.508 -1.621 -1.591 150 HB3 LEU 16 HB3 LEU 16 -0.525 0.039 -2.136 151 HG LEU 16 HG LEU 16 1.561 -0.428 -1.089 152 HD11 LEU 16 HD11 LEU 16 -0.163 1.299 0.671 153 HD12 LEU 16 HD12 LEU 16 0.771 1.810 -0.737 154 HD13 LEU 16 HD13 LEU 16 1.598 1.258 0.717 155 HD21 LEU 16 HD21 LEU 16 0.924 -2.310 0.300 156 HD22 LEU 16 HD22 LEU 16 0.033 -1.228 1.371 157 HD23 LEU 16 HD23 LEU 16 1.785 -1.091 1.239 158 H TYR 17 H TYR 17 -2.746 -2.337 -1.884 159 HA TYR 17 HA TYR 17 -4.111 -1.228 -4.006 160 HB2 TYR 17 HB2 TYR 17 -4.786 -3.749 -2.480 161 HB3 TYR 17 HB3 TYR 17 -5.462 -3.327 -4.047 162 HD1 TYR 17 HD2 TYR 17 -4.019 -3.325 -6.050 163 HD2 TYR 17 HD1 TYR 17 -2.571 -4.657 -2.282 164 HE1 TYR 17 HE2 TYR 17 -2.150 -4.452 -7.177 165 HE2 TYR 17 HE1 TYR 17 -0.699 -5.795 -3.398 166 HH TYR 17 HH TYR 17 0.076 -5.262 -6.695 167 H HIS 18 H HIS 18 -5.195 -1.662 -0.699 168 HA HIS 18 HA HIS 18 -7.961 -1.242 -1.184 169 HB2 HIS 18 HB2 HIS 18 -7.014 -2.428 0.809 170 HB3 HIS 18 HB3 HIS 18 -6.458 -0.873 1.414 171 HD1 HIS 18 HD1 HIS 18 -8.106 0.474 2.751 172 HD2 HIS 18 HD2 HIS 18 -9.895 -2.638 0.662 173 HE1 HIS 18 HE1 HIS 18 -10.492 0.411 3.547 174 HE2 HIS 18 HE2 HIS 18 -11.524 -1.556 2.356 175 H VAL 19 H VAL 19 -5.267 0.888 -0.520 176 HA VAL 19 HA VAL 19 -6.863 3.139 0.257 177 HB VAL 19 HB VAL 19 -4.934 4.169 0.754 178 HG11 VAL 19 HG11 VAL 19 -2.854 2.678 0.702 179 HG12 VAL 19 HG12 VAL 19 -3.923 1.439 0.060 180 HG13 VAL 19 HG13 VAL 19 -4.241 2.138 1.647 181 HG21 VAL 19 HG21 VAL 19 -4.427 5.055 -1.347 182 HG22 VAL 19 HG22 VAL 19 -4.062 3.467 -2.034 183 HG23 VAL 19 HG23 VAL 19 -2.947 4.209 -0.879 184 H LEU 20 H LEU 20 -5.662 1.829 -2.716 185 HA LEU 20 HA LEU 20 -6.238 4.266 -4.194 186 HB2 LEU 20 HB2 LEU 20 -4.836 1.707 -4.818 187 HB3 LEU 20 HB3 LEU 20 -5.391 2.728 -6.132 188 HG LEU 20 HG LEU 20 -3.410 3.473 -3.979 189 HD11 LEU 20 HD11 LEU 20 -3.100 3.081 -6.949 190 HD12 LEU 20 HD12 LEU 20 -2.471 2.027 -5.681 191 HD13 LEU 20 HD13 LEU 20 -1.846 3.669 -5.856 192 HD21 LEU 20 HD21 LEU 20 -4.690 5.423 -4.462 193 HD22 LEU 20 HD22 LEU 20 -4.617 5.114 -6.198 194 HD23 LEU 20 HD23 LEU 20 -3.154 5.565 -5.317 195 H GLY 21 H GLY 21 -7.819 1.488 -3.279 196 HA2 GLY 21 HA2 GLY 21 -10.003 0.889 -3.659 197 HA3 GLY 21 HA3 GLY 21 -10.138 2.232 -4.783 198 H LEU 22 H LEU 22 -7.605 -0.073 -5.246 199 HA LEU 22 HA LEU 22 -9.181 -1.365 -7.368 200 HB2 LEU 22 HB2 LEU 22 -6.867 -1.732 -8.441 201 HB3 LEU 22 HB3 LEU 22 -7.614 -0.157 -8.579 202 HG LEU 22 HG LEU 22 -6.183 0.458 -6.509 203 HD11 LEU 22 HD11 LEU 22 -4.672 -1.938 -7.524 204 HD12 LEU 22 HD12 LEU 22 -5.441 -1.781 -5.944 205 HD13 LEU 22 HD13 LEU 22 -4.068 -0.756 -6.366 206 HD21 LEU 22 HD21 LEU 22 -4.331 1.083 -7.941 207 HD22 LEU 22 HD22 LEU 22 -5.874 1.377 -8.739 208 HD23 LEU 22 HD23 LEU 22 -4.901 -0.024 -9.190 209 H ASP 23 H ASP 23 -8.498 -3.575 -7.879 210 HA ASP 23 HA ASP 23 -7.996 -5.039 -5.428 211 HB2 ASP 23 HB2 ASP 23 -8.627 -5.994 -8.229 212 HB3 ASP 23 HB3 ASP 23 -8.423 -7.052 -6.841 213 H LYS 24 H LYS 24 -6.635 -7.165 -5.948 214 HA LYS 24 HA LYS 24 -3.966 -6.162 -6.330 215 HB2 LYS 24 HB2 LYS 24 -3.288 -8.401 -5.572 216 HB3 LYS 24 HB3 LYS 24 -4.447 -7.665 -4.476 217 HG2 LYS 24 HG2 LYS 24 -5.885 -9.179 -6.401 218 HG3 LYS 24 HG3 LYS 24 -4.586 -10.174 -5.764 219 HD2 LYS 24 HD2 LYS 24 -6.306 -10.608 -4.278 220 HD3 LYS 24 HD3 LYS 24 -5.411 -9.334 -3.452 221 HE2 LYS 24 HE2 LYS 24 -6.993 -7.671 -4.267 222 HE3 LYS 24 HE3 LYS 24 -7.863 -8.918 -5.157 223 HZ1 LYS 24 HZ1 LYS 24 -9.082 -8.647 -3.220 224 HZ2 LYS 24 HZ2 LYS 24 -7.713 -8.486 -2.238 225 HZ3 LYS 24 HZ3 LYS 24 -8.134 -10.002 -2.868 226 H ASN 25 H ASN 25 -6.093 -6.701 -8.503 227 HA ASN 25 HA ASN 25 -4.437 -8.348 -10.289 228 HB2 ASN 25 HB2 ASN 25 -7.389 -7.717 -10.349 229 HB3 ASN 25 HB3 ASN 25 -6.548 -8.433 -11.712 230 HD21 ASN 25 HD21 ASN 25 -5.997 -9.121 -8.315 231 HD22 ASN 25 HD22 ASN 25 -6.539 -10.752 -8.382 232 H ALA 26 H ALA 26 -4.755 -5.289 -9.447 233 HA ALA 26 HA ALA 26 -5.118 -4.027 -12.002 234 HB1 ALA 26 HB1 ALA 26 -5.741 -2.844 -9.951 235 HB2 ALA 26 HB2 ALA 26 -4.510 -1.952 -10.862 236 HB3 ALA 26 HB3 ALA 26 -4.055 -2.875 -9.424 237 H THR 27 H THR 27 -3.496 -2.769 -13.057 238 HA THR 27 HA THR 27 -0.774 -3.780 -12.603 239 HB THR 27 HB THR 27 -1.813 -4.651 -14.705 240 HG1 THR 27 HG1 THR 27 0.371 -4.589 -14.807 241 HG21 THR 27 HG21 THR 27 -2.113 -3.132 -16.597 242 HG22 THR 27 HG22 THR 27 -1.733 -1.758 -15.558 243 HG23 THR 27 HG23 THR 27 -3.186 -2.711 -15.265 244 H SER 28 H SER 28 0.796 -2.174 -13.910 245 HA SER 28 HA SER 28 1.074 0.085 -12.409 246 HB2 SER 28 HB2 SER 28 1.877 -0.169 -15.314 247 HB3 SER 28 HB3 SER 28 2.615 0.884 -14.107 248 HG SER 28 HG SER 28 3.554 -0.803 -13.155 249 H ASP 29 H ASP 29 -0.755 -0.307 -15.343 250 HA ASP 29 HA ASP 29 -1.387 2.310 -15.956 251 HB2 ASP 29 HB2 ASP 29 -1.927 0.481 -17.455 252 HB3 ASP 29 HB3 ASP 29 -3.078 -0.172 -16.292 253 H ASP 30 H ASP 30 -3.268 0.070 -13.827 254 HA ASP 30 HA ASP 30 -5.226 2.166 -13.426 255 HB2 ASP 30 HB2 ASP 30 -5.729 -0.338 -13.533 256 HB3 ASP 30 HB3 ASP 30 -5.088 -0.416 -11.891 257 H ILE 31 H ILE 31 -2.548 0.762 -11.709 258 HA ILE 31 HA ILE 31 -3.082 1.767 -9.152 259 HB ILE 31 HB ILE 31 -0.468 1.092 -10.495 260 HG12 ILE 31 HG12 ILE 31 -1.812 -0.537 -8.380 261 HG13 ILE 31 HG13 ILE 31 -2.455 -0.588 -10.018 262 HG21 ILE 31 HG21 ILE 31 -0.098 2.611 -8.603 263 HG22 ILE 31 HG22 ILE 31 0.516 0.991 -8.277 264 HG23 ILE 31 HG23 ILE 31 -1.005 1.518 -7.557 265 HD11 ILE 31 HD11 ILE 31 0.366 -1.246 -9.220 266 HD12 ILE 31 HD12 ILE 31 -0.304 -1.321 -10.852 267 HD13 ILE 31 HD13 ILE 31 -0.908 -2.406 -9.597 268 H LYS 32 H LYS 32 -1.311 3.192 -11.872 269 HA LYS 32 HA LYS 32 -0.504 5.466 -10.339 270 HB2 LYS 32 HB2 LYS 32 -0.398 4.940 -13.306 271 HB3 LYS 32 HB3 LYS 32 0.308 6.346 -12.515 272 HG2 LYS 32 HG2 LYS 32 1.794 4.935 -11.242 273 HG3 LYS 32 HG3 LYS 32 1.041 3.490 -11.915 274 HD2 LYS 32 HD2 LYS 32 1.783 4.166 -14.158 275 HD3 LYS 32 HD3 LYS 32 2.568 5.585 -13.458 276 HE2 LYS 32 HE2 LYS 32 4.014 4.148 -12.131 277 HE3 LYS 32 HE3 LYS 32 3.210 2.719 -12.772 278 HZ1 LYS 32 HZ1 LYS 32 3.994 3.320 -14.976 279 HZ2 LYS 32 HZ2 LYS 32 5.290 3.142 -13.909 280 HZ3 LYS 32 HZ3 LYS 32 4.770 4.686 -14.356 281 H LYS 33 H LYS 33 -3.066 4.862 -12.727 282 HA LYS 33 HA LYS 33 -4.057 7.486 -12.813 283 HB2 LYS 33 HB2 LYS 33 -5.613 4.910 -13.078 284 HB3 LYS 33 HB3 LYS 33 -6.145 6.498 -13.616 285 HG2 LYS 33 HG2 LYS 33 -4.160 6.544 -15.134 286 HG3 LYS 33 HG3 LYS 33 -3.866 4.867 -14.694 287 HD2 LYS 33 HD2 LYS 33 -6.369 5.937 -15.996 288 HD3 LYS 33 HD3 LYS 33 -5.099 5.007 -16.793 289 HE2 LYS 33 HE2 LYS 33 -5.559 3.142 -15.218 290 HE3 LYS 33 HE3 LYS 33 -6.915 4.068 -14.577 291 HZ1 LYS 33 HZ1 LYS 33 -6.609 3.090 -17.359 292 HZ2 LYS 33 HZ2 LYS 33 -7.877 4.063 -16.816 293 HZ3 LYS 33 HZ3 LYS 33 -7.688 2.503 -16.201 294 H SER 34 H SER 34 -4.914 4.748 -10.719 295 HA SER 34 HA SER 34 -6.888 6.020 -9.215 296 HB2 SER 34 HB2 SER 34 -4.977 3.842 -8.361 297 HB3 SER 34 HB3 SER 34 -6.465 4.285 -7.523 298 HG SER 34 HG SER 34 -6.103 2.768 -9.773 299 H TYR 35 H TYR 35 -3.371 6.055 -8.887 300 HA TYR 35 HA TYR 35 -3.213 7.417 -6.460 301 HB2 TYR 35 HB2 TYR 35 -1.149 6.674 -7.362 302 HB3 TYR 35 HB3 TYR 35 -1.427 7.503 -8.892 303 HD1 TYR 35 HD1 TYR 35 -0.926 8.223 -5.242 304 HD2 TYR 35 HD2 TYR 35 -0.465 9.593 -9.248 305 HE1 TYR 35 HE1 TYR 35 0.289 10.188 -4.426 306 HE2 TYR 35 HE2 TYR 35 0.763 11.560 -8.435 307 HH TYR 35 HH TYR 35 0.914 12.893 -6.335 308 H ARG 36 H ARG 36 -3.131 8.841 -9.734 309 HA ARG 36 HA ARG 36 -3.323 11.496 -9.064 310 HB2 ARG 36 HB2 ARG 36 -4.703 10.133 -11.384 311 HB3 ARG 36 HB3 ARG 36 -4.323 11.847 -11.273 312 HG2 ARG 36 HG2 ARG 36 -2.266 9.651 -11.253 313 HG3 ARG 36 HG3 ARG 36 -2.759 10.548 -12.691 314 HD2 ARG 36 HD2 ARG 36 -1.677 11.860 -10.207 315 HD3 ARG 36 HD3 ARG 36 -0.666 11.364 -11.560 316 HE ARG 36 HE ARG 36 -2.344 12.872 -12.868 317 HH11 ARG 36 HH11 ARG 36 -0.977 13.502 -9.698 318 HH12 ARG 36 HH12 ARG 36 -1.096 15.224 -9.855 319 HH21 ARG 36 HH21 ARG 36 -2.495 15.136 -13.066 320 HH22 ARG 36 HH22 ARG 36 -1.966 16.152 -11.765 321 H LYS 37 H LYS 37 -6.048 9.364 -9.804 322 HA LYS 37 HA LYS 37 -8.170 11.048 -9.482 323 HB2 LYS 37 HB2 LYS 37 -7.914 8.133 -8.756 324 HB3 LYS 37 HB3 LYS 37 -9.451 8.986 -8.810 325 HG2 LYS 37 HG2 LYS 37 -9.392 9.213 -11.112 326 HG3 LYS 37 HG3 LYS 37 -7.644 8.982 -11.186 327 HD2 LYS 37 HD2 LYS 37 -9.135 7.061 -11.993 328 HD3 LYS 37 HD3 LYS 37 -7.817 6.666 -10.888 329 HE2 LYS 37 HE2 LYS 37 -9.349 6.594 -9.026 330 HE3 LYS 37 HE3 LYS 37 -10.681 7.123 -10.057 331 HZ1 LYS 37 HZ1 LYS 37 -10.726 4.729 -9.690 332 HZ2 LYS 37 HZ2 LYS 37 -9.182 4.574 -10.361 333 HZ3 LYS 37 HZ3 LYS 37 -10.473 5.081 -11.326 334 H LEU 38 H LEU 38 -6.488 9.287 -6.911 335 HA LEU 38 HA LEU 38 -8.266 10.419 -4.903 336 HB2 LEU 38 HB2 LEU 38 -5.990 8.466 -4.791 337 HB3 LEU 38 HB3 LEU 38 -6.843 9.036 -3.367 338 HG LEU 38 HG LEU 38 -8.293 7.726 -5.649 339 HD11 LEU 38 HD11 LEU 38 -7.055 6.392 -3.253 340 HD12 LEU 38 HD12 LEU 38 -6.569 6.188 -4.937 341 HD13 LEU 38 HD13 LEU 38 -8.154 5.626 -4.401 342 HD21 LEU 38 HD21 LEU 38 -8.922 8.065 -2.718 343 HD22 LEU 38 HD22 LEU 38 -9.935 7.233 -3.899 344 HD23 LEU 38 HD23 LEU 38 -9.647 8.966 -4.050 345 H ALA 39 H ALA 39 -5.032 10.809 -6.077 346 HA ALA 39 HA ALA 39 -3.753 12.012 -3.949 347 HB1 ALA 39 HB1 ALA 39 -3.335 12.657 -6.857 348 HB2 ALA 39 HB2 ALA 39 -2.642 11.277 -6.006 349 HB3 ALA 39 HB3 ALA 39 -2.186 12.917 -5.543 350 H LEU 40 H LEU 40 -5.588 13.682 -6.542 351 HA LEU 40 HA LEU 40 -5.118 16.202 -5.284 352 HB2 LEU 40 HB2 LEU 40 -7.223 16.875 -6.782 353 HB3 LEU 40 HB3 LEU 40 -5.589 16.816 -7.381 354 HG LEU 40 HG LEU 40 -7.396 15.896 -8.868 355 HD11 LEU 40 HD11 LEU 40 -5.024 14.208 -8.157 356 HD12 LEU 40 HD12 LEU 40 -5.132 15.459 -9.395 357 HD13 LEU 40 HD13 LEU 40 -6.024 13.944 -9.585 358 HD21 LEU 40 HD21 LEU 40 -8.184 13.655 -8.529 359 HD22 LEU 40 HD22 LEU 40 -8.655 14.667 -7.163 360 HD23 LEU 40 HD23 LEU 40 -7.304 13.544 -7.006 361 H LYS 41 H LYS 41 -7.807 13.970 -5.351 362 HA LYS 41 HA LYS 41 -9.701 15.202 -3.822 363 HB2 LYS 41 HB2 LYS 41 -10.022 13.012 -4.811 364 HB3 LYS 41 HB3 LYS 41 -8.798 12.317 -3.762 365 HG2 LYS 41 HG2 LYS 41 -10.291 12.962 -1.824 366 HG3 LYS 41 HG3 LYS 41 -11.543 13.281 -3.027 367 HD2 LYS 41 HD2 LYS 41 -11.299 10.975 -3.858 368 HD3 LYS 41 HD3 LYS 41 -10.096 10.667 -2.607 369 HE2 LYS 41 HE2 LYS 41 -12.137 9.791 -1.800 370 HE3 LYS 41 HE3 LYS 41 -11.852 11.289 -0.920 371 HZ1 LYS 41 HZ1 LYS 41 -13.630 11.037 -3.284 372 HZ2 LYS 41 HZ2 LYS 41 -13.420 12.415 -2.325 373 HZ3 LYS 41 HZ3 LYS 41 -14.157 11.039 -1.677 374 H TYR 42 H TYR 42 -6.756 13.598 -2.679 375 HA TYR 42 HA TYR 42 -7.338 14.622 0.022 376 HB2 TYR 42 HB2 TYR 42 -5.784 12.215 -0.900 377 HB3 TYR 42 HB3 TYR 42 -5.570 12.888 0.715 378 HD1 TYR 42 HD2 TYR 42 -7.665 13.109 2.170 379 HD2 TYR 42 HD1 TYR 42 -7.503 10.677 -1.312 380 HE1 TYR 42 HE2 TYR 42 -9.580 11.816 2.995 381 HE2 TYR 42 HE1 TYR 42 -9.417 9.370 -0.492 382 HH TYR 42 HH TYR 42 -11.339 10.395 2.140 383 H HIS 43 H HIS 43 -6.089 16.066 -2.246 384 HA HIS 43 HA HIS 43 -3.302 16.216 -1.917 385 HB2 HIS 43 HB2 HIS 43 -4.953 17.187 -3.764 386 HB3 HIS 43 HB3 HIS 43 -4.808 18.638 -2.777 387 HD1 HIS 43 HD1 HIS 43 -2.802 20.064 -3.225 388 HD2 HIS 43 HD2 HIS 43 -2.347 16.195 -4.681 389 HE1 HIS 43 HE1 HIS 43 -0.602 20.049 -4.443 390 HE2 HIS 43 HE2 HIS 43 -0.293 17.672 -5.209 391 HA PRO 44 HA PRO 44 -2.378 17.887 1.957 392 HB2 PRO 44 HB2 PRO 44 -0.966 20.188 0.983 393 HB3 PRO 44 HB3 PRO 44 -0.311 18.684 1.619 394 HG2 PRO 44 HG2 PRO 44 -0.778 19.511 -1.175 395 HG3 PRO 44 HG3 PRO 44 0.404 18.359 -0.522 396 HD2 PRO 44 HD2 PRO 44 -1.721 17.522 -1.880 397 HD3 PRO 44 HD3 PRO 44 -1.155 16.621 -0.460 398 H ASP 45 H ASP 45 -3.467 20.434 -0.318 399 HA ASP 45 HA ASP 45 -4.056 22.201 1.851 400 HB2 ASP 45 HB2 ASP 45 -3.386 23.126 -0.288 401 HB3 ASP 45 HB3 ASP 45 -4.760 22.374 -1.080 402 H LYS 46 H LYS 46 -5.732 19.667 0.353 403 HA LYS 46 HA LYS 46 -8.389 20.555 1.035 404 HB2 LYS 46 HB2 LYS 46 -7.343 17.802 0.368 405 HB3 LYS 46 HB3 LYS 46 -9.027 18.270 0.424 406 HG2 LYS 46 HG2 LYS 46 -8.144 20.062 -1.338 407 HG3 LYS 46 HG3 LYS 46 -6.980 18.774 -1.624 408 HD2 LYS 46 HD2 LYS 46 -8.751 17.191 -2.050 409 HD3 LYS 46 HD3 LYS 46 -9.971 18.394 -1.637 410 HE2 LYS 46 HE2 LYS 46 -8.012 18.812 -3.870 411 HE3 LYS 46 HE3 LYS 46 -9.531 17.953 -4.114 412 HZ1 LYS 46 HZ1 LYS 46 -9.302 20.722 -3.059 413 HZ2 LYS 46 HZ2 LYS 46 -10.735 19.904 -3.433 414 HZ3 LYS 46 HZ3 LYS 46 -9.658 20.329 -4.665 415 H ASN 47 H ASN 47 -5.918 19.880 2.956 416 HA ASN 47 HA ASN 47 -7.257 17.875 4.618 417 HB2 ASN 47 HB2 ASN 47 -4.372 18.754 4.630 418 HB3 ASN 47 HB3 ASN 47 -5.055 17.477 5.616 419 HD21 ASN 47 HD21 ASN 47 -5.755 18.111 2.215 420 HD22 ASN 47 HD22 ASN 47 -5.111 16.610 1.649 421 HA PRO 48 HA PRO 48 -7.674 21.068 7.727 422 HB2 PRO 48 HB2 PRO 48 -9.037 19.258 9.396 423 HB3 PRO 48 HB3 PRO 48 -9.758 20.486 8.362 424 HG2 PRO 48 HG2 PRO 48 -9.972 17.706 8.047 425 HG3 PRO 48 HG3 PRO 48 -10.433 18.939 6.865 426 HD2 PRO 48 HD2 PRO 48 -8.015 17.232 6.971 427 HD3 PRO 48 HD3 PRO 48 -8.831 17.964 5.575 428 H ASP 49 H ASP 49 -7.734 20.434 10.344 429 HA ASP 49 HA ASP 49 -5.018 20.222 10.930 430 HB2 ASP 49 HB2 ASP 49 -6.748 21.320 12.313 431 HB3 ASP 49 HB3 ASP 49 -7.349 19.732 12.780 432 H ASN 50 H ASN 50 -7.597 17.807 11.065 433 HA ASN 50 HA ASN 50 -6.099 15.725 12.201 434 HB2 ASN 50 HB2 ASN 50 -7.799 14.229 11.035 435 HB3 ASN 50 HB3 ASN 50 -8.448 15.420 12.148 436 HD21 ASN 50 HD21 ASN 50 -8.272 14.357 8.884 437 HD22 ASN 50 HD22 ASN 50 -9.414 15.468 8.236 438 HA PRO 51 HA PRO 51 -3.382 14.965 8.756 439 HB2 PRO 51 HB2 PRO 51 -1.885 13.066 9.919 440 HB3 PRO 51 HB3 PRO 51 -1.777 14.760 10.415 441 HG2 PRO 51 HG2 PRO 51 -3.259 12.502 11.705 442 HG3 PRO 51 HG3 PRO 51 -2.267 13.763 12.459 443 HD2 PRO 51 HD2 PRO 51 -4.997 13.849 12.349 444 HD3 PRO 51 HD3 PRO 51 -3.969 15.294 12.422 445 H GLU 52 H GLU 52 -6.007 13.405 9.380 446 HA GLU 52 HA GLU 52 -5.630 10.687 8.733 447 HB2 GLU 52 HB2 GLU 52 -7.661 11.543 9.808 448 HB3 GLU 52 HB3 GLU 52 -8.017 12.503 8.372 449 HG2 GLU 52 HG2 GLU 52 -8.327 10.487 7.076 450 HG3 GLU 52 HG3 GLU 52 -7.926 9.496 8.477 451 H ALA 53 H ALA 53 -6.476 13.521 6.858 452 HA ALA 53 HA ALA 53 -6.769 12.159 4.393 453 HB1 ALA 53 HB1 ALA 53 -7.860 14.285 4.991 454 HB2 ALA 53 HB2 ALA 53 -6.991 14.357 3.453 455 HB3 ALA 53 HB3 ALA 53 -6.290 15.085 4.901 456 H ALA 54 H ALA 54 -4.125 13.712 6.051 457 HA ALA 54 HA ALA 54 -2.241 13.611 3.904 458 HB1 ALA 54 HB1 ALA 54 -0.572 13.954 5.692 459 HB2 ALA 54 HB2 ALA 54 -1.834 13.714 6.901 460 HB3 ALA 54 HB3 ALA 54 -1.911 15.097 5.808 461 H ASP 55 H ASP 55 -3.035 11.518 6.648 462 HA ASP 55 HA ASP 55 -1.244 9.433 6.134 463 HB2 ASP 55 HB2 ASP 55 -3.827 9.714 7.568 464 HB3 ASP 55 HB3 ASP 55 -3.396 8.081 7.085 465 H LYS 56 H LYS 56 -4.464 10.108 4.915 466 HA LYS 56 HA LYS 56 -4.790 7.908 3.222 467 HB2 LYS 56 HB2 LYS 56 -5.934 10.591 3.486 468 HB3 LYS 56 HB3 LYS 56 -6.036 9.924 1.872 469 HG2 LYS 56 HG2 LYS 56 -7.190 8.837 4.412 470 HG3 LYS 56 HG3 LYS 56 -8.026 9.425 2.982 471 HD2 LYS 56 HD2 LYS 56 -6.402 6.893 3.226 472 HD3 LYS 56 HD3 LYS 56 -8.146 7.027 3.026 473 HE2 LYS 56 HE2 LYS 56 -7.836 6.844 0.842 474 HE3 LYS 56 HE3 LYS 56 -7.034 8.409 0.860 475 HZ1 LYS 56 HZ1 LYS 56 -5.629 5.862 1.422 476 HZ2 LYS 56 HZ2 LYS 56 -4.945 7.369 1.035 477 HZ3 LYS 56 HZ3 LYS 56 -5.782 6.492 -0.145 478 H PHE 57 H PHE 57 -3.784 11.200 2.353 479 HA PHE 57 HA PHE 57 -3.018 10.689 -0.240 480 HB2 PHE 57 HB2 PHE 57 -3.095 12.955 0.811 481 HB3 PHE 57 HB3 PHE 57 -1.546 12.585 1.582 482 HD1 PHE 57 HD1 PHE 57 -3.245 13.233 -1.587 483 HD2 PHE 57 HD2 PHE 57 0.489 12.540 0.314 484 HE1 PHE 57 HE1 PHE 57 -2.086 13.941 -3.629 485 HE2 PHE 57 HE2 PHE 57 1.666 13.268 -1.724 486 HZ PHE 57 HZ PHE 57 0.378 13.972 -3.701 487 H LYS 58 H LYS 58 -1.130 10.334 2.668 488 HA LYS 58 HA LYS 58 1.332 9.646 1.642 489 HB2 LYS 58 HB2 LYS 58 0.785 10.059 3.991 490 HB3 LYS 58 HB3 LYS 58 -0.067 8.528 4.065 491 HG2 LYS 58 HG2 LYS 58 2.018 7.346 3.657 492 HG3 LYS 58 HG3 LYS 58 2.878 8.881 3.563 493 HD2 LYS 58 HD2 LYS 58 1.511 7.642 5.940 494 HD3 LYS 58 HD3 LYS 58 3.213 8.081 5.764 495 HE2 LYS 58 HE2 LYS 58 0.918 10.036 5.777 496 HE3 LYS 58 HE3 LYS 58 1.928 9.664 7.177 497 HZ1 LYS 58 HZ1 LYS 58 2.694 11.666 6.109 498 HZ2 LYS 58 HZ2 LYS 58 2.849 10.874 4.623 499 HZ3 LYS 58 HZ3 LYS 58 3.856 10.456 5.913 500 H GLU 59 H GLU 59 -1.359 7.442 2.464 501 HA GLU 59 HA GLU 59 0.006 5.152 1.493 502 HB2 GLU 59 HB2 GLU 59 -2.321 4.120 1.565 503 HB3 GLU 59 HB3 GLU 59 -1.594 4.630 3.070 504 HG2 GLU 59 HG2 GLU 59 -2.926 6.672 2.991 505 HG3 GLU 59 HG3 GLU 59 -3.687 6.115 1.498 506 H ILE 60 H ILE 60 -2.175 7.459 -0.065 507 HA ILE 60 HA ILE 60 -2.550 6.015 -2.485 508 HB ILE 60 HB ILE 60 -2.182 9.004 -2.385 509 HG12 ILE 60 HG12 ILE 60 -4.815 7.605 -1.947 510 HG13 ILE 60 HG13 ILE 60 -3.825 8.207 -0.622 511 HG21 ILE 60 HG21 ILE 60 -4.135 7.524 -4.082 512 HG22 ILE 60 HG22 ILE 60 -2.441 7.622 -4.539 513 HG23 ILE 60 HG23 ILE 60 -3.384 9.100 -4.351 514 HD11 ILE 60 HD11 ILE 60 -5.159 9.791 -2.802 515 HD12 ILE 60 HD12 ILE 60 -3.934 10.470 -1.741 516 HD13 ILE 60 HD13 ILE 60 -5.446 9.867 -1.062 517 H ASN 61 H ASN 61 -0.237 8.497 -1.522 518 HA ASN 61 HA ASN 61 1.350 8.499 -3.829 519 HB2 ASN 61 HB2 ASN 61 1.275 10.283 -2.055 520 HB3 ASN 61 HB3 ASN 61 2.160 9.190 -0.991 521 HD21 ASN 61 HD21 ASN 61 3.811 10.673 -0.816 522 HD22 ASN 61 HD22 ASN 61 4.972 10.909 -2.079 523 H ASN 62 H ASN 62 1.398 6.558 -0.932 524 HA ASN 62 HA ASN 62 3.905 5.290 -1.399 525 HB2 ASN 62 HB2 ASN 62 2.351 5.468 0.761 526 HB3 ASN 62 HB3 ASN 62 1.768 3.922 0.157 527 HD21 ASN 62 HD21 ASN 62 3.096 2.155 0.211 528 HD22 ASN 62 HD22 ASN 62 4.596 2.134 1.065 529 H ALA 63 H ALA 63 0.549 4.139 -1.727 530 HA ALA 63 HA ALA 63 1.139 1.657 -2.857 531 HB1 ALA 63 HB1 ALA 63 -1.040 2.204 -1.921 532 HB2 ALA 63 HB2 ALA 63 -1.198 1.620 -3.578 533 HB3 ALA 63 HB3 ALA 63 -1.330 3.346 -3.235 534 H HIS 64 H HIS 64 0.788 4.810 -4.330 535 HA HIS 64 HA HIS 64 0.581 4.268 -7.006 536 HB2 HIS 64 HB2 HIS 64 0.614 6.531 -6.256 537 HB3 HIS 64 HB3 HIS 64 2.226 6.356 -5.572 538 HD1 HIS 64 HD1 HIS 64 4.115 7.104 -7.023 539 HD2 HIS 64 HD2 HIS 64 0.641 6.420 -9.196 540 HE1 HIS 64 HE1 HIS 64 4.623 7.857 -9.362 541 HE2 HIS 64 HE2 HIS 64 2.455 7.596 -10.616 542 H ALA 65 H ALA 65 3.456 4.012 -4.982 543 HA ALA 65 HA ALA 65 5.076 3.244 -7.277 544 HB1 ALA 65 HB1 ALA 65 5.835 3.538 -4.373 545 HB2 ALA 65 HB2 ALA 65 6.025 4.774 -5.616 546 HB3 ALA 65 HB3 ALA 65 6.945 3.273 -5.717 547 H ILE 66 H ILE 66 4.077 1.931 -4.150 548 HA ILE 66 HA ILE 66 5.425 -0.405 -4.005 549 HB ILE 66 HB ILE 66 2.501 -0.258 -3.303 550 HG12 ILE 66 HG12 ILE 66 3.402 1.707 -2.343 551 HG13 ILE 66 HG13 ILE 66 3.346 0.524 -1.046 552 HG21 ILE 66 HG21 ILE 66 3.104 -1.803 -1.514 553 HG22 ILE 66 HG22 ILE 66 4.778 -1.797 -2.068 554 HG23 ILE 66 HG23 ILE 66 3.513 -2.462 -3.098 555 HD11 ILE 66 HD11 ILE 66 5.388 1.854 -1.024 556 HD12 ILE 66 HD12 ILE 66 5.794 1.246 -2.631 557 HD13 ILE 66 HD13 ILE 66 5.718 0.138 -1.259 558 H LEU 67 H LEU 67 2.269 -0.078 -5.676 559 HA LEU 67 HA LEU 67 2.204 -2.907 -6.147 560 HB2 LEU 67 HB2 LEU 67 0.407 -0.703 -7.126 561 HB3 LEU 67 HB3 LEU 67 0.138 -2.397 -7.463 562 HG LEU 67 HG LEU 67 -1.085 -2.524 -5.626 563 HD11 LEU 67 HD11 LEU 67 -0.072 -2.426 -3.412 564 HD12 LEU 67 HD12 LEU 67 1.373 -1.690 -4.104 565 HD13 LEU 67 HD13 LEU 67 0.926 -3.340 -4.542 566 HD21 LEU 67 HD21 LEU 67 -1.511 -0.593 -4.217 567 HD22 LEU 67 HD22 LEU 67 -1.520 -0.153 -5.927 568 HD23 LEU 67 HD23 LEU 67 -0.124 0.238 -4.922 569 H THR 68 H THR 68 3.522 -0.264 -7.881 570 HA THR 68 HA THR 68 3.649 -1.938 -10.298 571 HB THR 68 HB THR 68 2.591 0.214 -10.729 572 HG1 THR 68 HG1 THR 68 5.231 0.048 -11.805 573 HG21 THR 68 HG21 THR 68 3.822 2.306 -10.511 574 HG22 THR 68 HG22 THR 68 5.180 1.440 -9.790 575 HG23 THR 68 HG23 THR 68 3.633 1.517 -8.947 576 H ASP 69 H ASP 69 5.366 -1.153 -7.646 577 HA ASP 69 HA ASP 69 7.975 -1.099 -8.964 578 HB2 ASP 69 HB2 ASP 69 7.588 0.474 -7.096 579 HB3 ASP 69 HB3 ASP 69 7.244 -0.893 -6.029 580 H ALA 70 H ALA 70 9.383 -2.763 -8.865 581 HA ALA 70 HA ALA 70 8.316 -5.350 -8.577 582 HB1 ALA 70 HB1 ALA 70 10.112 -4.913 -10.126 583 HB2 ALA 70 HB2 ALA 70 10.618 -6.126 -8.947 584 HB3 ALA 70 HB3 ALA 70 11.184 -4.464 -8.799 585 H THR 71 H THR 71 10.385 -3.396 -6.453 586 HA THR 71 HA THR 71 10.864 -5.667 -4.723 587 HB THR 71 HB THR 71 11.654 -2.770 -4.390 588 HG1 THR 71 HG1 THR 71 13.229 -3.309 -5.685 589 HG21 THR 71 HG21 THR 71 13.179 -3.656 -2.657 590 HG22 THR 71 HG22 THR 71 12.436 -5.245 -2.852 591 HG23 THR 71 HG23 THR 71 11.477 -3.891 -2.252 592 H LYS 72 H LYS 72 9.130 -2.542 -4.449 593 HA LYS 72 HA LYS 72 8.383 -2.990 -1.760 594 HB2 LYS 72 HB2 LYS 72 7.608 -1.039 -3.846 595 HB3 LYS 72 HB3 LYS 72 6.492 -1.264 -2.509 596 HG2 LYS 72 HG2 LYS 72 7.790 0.435 -1.702 597 HG3 LYS 72 HG3 LYS 72 8.625 -0.968 -1.040 598 HD2 LYS 72 HD2 LYS 72 10.311 0.405 -1.914 599 HD3 LYS 72 HD3 LYS 72 10.089 -0.868 -3.118 600 HE2 LYS 72 HE2 LYS 72 10.212 1.148 -4.335 601 HE3 LYS 72 HE3 LYS 72 8.500 0.714 -4.295 602 HZ1 LYS 72 HZ1 LYS 72 9.902 2.828 -2.780 603 HZ2 LYS 72 HZ2 LYS 72 8.410 2.236 -2.256 604 HZ3 LYS 72 HZ3 LYS 72 8.545 2.975 -3.777 605 H ARG 73 H ARG 73 7.030 -4.043 -4.746 606 HA ARG 73 HA ARG 73 4.580 -4.972 -3.502 607 HB2 ARG 73 HB2 ARG 73 4.426 -4.343 -5.826 608 HB3 ARG 73 HB3 ARG 73 5.762 -5.405 -6.252 609 HG2 ARG 73 HG2 ARG 73 4.427 -7.346 -5.729 610 HG3 ARG 73 HG3 ARG 73 3.088 -6.316 -5.212 611 HD2 ARG 73 HD2 ARG 73 2.658 -7.104 -7.449 612 HD3 ARG 73 HD3 ARG 73 2.982 -5.373 -7.494 613 HE ARG 73 HE ARG 73 5.386 -6.750 -7.949 614 HH11 ARG 73 HH11 ARG 73 2.309 -6.164 -9.509 615 HH12 ARG 73 HH12 ARG 73 2.950 -6.304 -11.115 616 HH21 ARG 73 HH21 ARG 73 6.241 -6.936 -10.067 617 HH22 ARG 73 HH22 ARG 73 5.187 -6.741 -11.432 618 H ASN 74 H ASN 74 7.663 -6.159 -4.513 619 HA ASN 74 HA ASN 74 7.375 -8.884 -4.193 620 HB2 ASN 74 HB2 ASN 74 9.386 -7.834 -5.148 621 HB3 ASN 74 HB3 ASN 74 9.792 -7.185 -3.564 622 HD21 ASN 74 HD21 ASN 74 10.460 -8.580 -1.941 623 HD22 ASN 74 HD22 ASN 74 11.127 -10.130 -2.302 624 H ILE 75 H ILE 75 8.819 -6.709 -1.708 625 HA ILE 75 HA ILE 75 8.761 -8.808 0.210 626 HB ILE 75 HB ILE 75 9.608 -7.365 1.826 627 HG12 ILE 75 HG12 ILE 75 7.899 -5.611 1.705 628 HG13 ILE 75 HG13 ILE 75 9.518 -4.927 1.745 629 HG21 ILE 75 HG21 ILE 75 11.173 -7.751 0.048 630 HG22 ILE 75 HG22 ILE 75 11.402 -6.137 0.716 631 HG23 ILE 75 HG23 ILE 75 10.574 -6.343 -0.828 632 HD11 ILE 75 HD11 ILE 75 7.819 -5.257 -0.709 633 HD12 ILE 75 HD12 ILE 75 9.416 -4.504 -0.630 634 HD13 ILE 75 HD13 ILE 75 8.049 -3.760 0.200 635 H TYR 76 H TYR 76 6.470 -6.393 -0.716 636 HA TYR 76 HA TYR 76 4.810 -6.329 1.522 637 HB2 TYR 76 HB2 TYR 76 4.214 -4.772 -0.083 638 HB3 TYR 76 HB3 TYR 76 4.438 -5.900 -1.413 639 HD1 TYR 76 HD1 TYR 76 2.671 -7.467 -2.022 640 HD2 TYR 76 HD2 TYR 76 2.089 -4.596 1.064 641 HE1 TYR 76 HE1 TYR 76 0.250 -7.840 -2.149 642 HE2 TYR 76 HE2 TYR 76 -0.342 -4.962 0.950 643 HH TYR 76 HH TYR 76 -1.729 -7.574 -0.756 644 H ASP 77 H ASP 77 4.978 -8.571 -1.174 645 HA ASP 77 HA ASP 77 2.796 -10.174 -0.118 646 HB2 ASP 77 HB2 ASP 77 2.883 -9.882 -2.508 647 HB3 ASP 77 HB3 ASP 77 4.542 -10.474 -2.568 648 H LYS 78 H LYS 78 6.235 -10.110 -0.063 649 HA LYS 78 HA LYS 78 6.546 -12.899 0.604 650 HB2 LYS 78 HB2 LYS 78 8.339 -10.651 0.051 651 HB3 LYS 78 HB3 LYS 78 8.935 -11.752 1.280 652 HG2 LYS 78 HG2 LYS 78 9.829 -12.720 -0.568 653 HG3 LYS 78 HG3 LYS 78 8.288 -13.568 -0.512 654 HD2 LYS 78 HD2 LYS 78 8.755 -11.086 -2.141 655 HD3 LYS 78 HD3 LYS 78 8.995 -12.710 -2.776 656 HE2 LYS 78 HE2 LYS 78 6.409 -11.687 -1.624 657 HE3 LYS 78 HE3 LYS 78 6.798 -11.683 -3.340 658 HZ1 LYS 78 HZ1 LYS 78 6.874 -14.045 -3.355 659 HZ2 LYS 78 HZ2 LYS 78 5.429 -13.593 -2.591 660 HZ3 LYS 78 HZ3 LYS 78 6.745 -14.132 -1.672 661 H TYR 79 H TYR 79 7.220 -9.868 2.369 662 HA TYR 79 HA TYR 79 6.929 -11.391 4.880 663 HB2 TYR 79 HB2 TYR 79 8.848 -9.094 4.475 664 HB3 TYR 79 HB3 TYR 79 8.744 -10.174 5.858 665 HD1 TYR 79 HD2 TYR 79 9.099 -12.733 5.265 666 HD2 TYR 79 HD1 TYR 79 10.510 -9.475 2.922 667 HE1 TYR 79 HE2 TYR 79 10.792 -14.201 4.256 668 HE2 TYR 79 HE1 TYR 79 12.207 -10.934 1.906 669 HH TYR 79 HH TYR 79 13.383 -12.994 2.386 670 H GLY 80 H GLY 80 7.253 -8.010 3.795 671 HA2 GLY 80 HA2 GLY 80 5.538 -6.433 3.701 672 HA3 GLY 80 HA3 GLY 80 4.524 -7.496 4.662 673 H SER 81 H SER 81 6.321 -7.795 6.891 674 HA SER 81 HA SER 81 5.409 -5.524 8.317 675 HB2 SER 81 HB2 SER 81 5.646 -7.730 9.371 676 HB3 SER 81 HB3 SER 81 7.396 -7.640 9.178 677 HG SER 81 HG SER 81 7.393 -6.662 11.023 678 H LEU 82 H LEU 82 8.780 -6.628 7.998 679 HA LEU 82 HA LEU 82 9.741 -3.981 8.640 680 HB2 LEU 82 HB2 LEU 82 10.982 -5.756 9.585 681 HB3 LEU 82 HB3 LEU 82 11.061 -6.623 8.070 682 HG LEU 82 HG LEU 82 12.630 -4.962 7.182 683 HD11 LEU 82 HD11 LEU 82 12.495 -3.720 9.924 684 HD12 LEU 82 HD12 LEU 82 11.858 -3.020 8.438 685 HD13 LEU 82 HD13 LEU 82 13.594 -3.261 8.621 686 HD21 LEU 82 HD21 LEU 82 14.540 -5.535 8.598 687 HD22 LEU 82 HD22 LEU 82 13.501 -6.931 8.314 688 HD23 LEU 82 HD23 LEU 82 13.438 -6.084 9.859 689 H GLY 83 H GLY 83 9.965 -6.201 5.901 690 HA2 GLY 83 HA2 GLY 83 11.709 -4.878 4.279 691 HA3 GLY 83 HA3 GLY 83 10.414 -5.890 3.679 692 H LEU 84 H LEU 84 8.232 -4.186 4.474 693 HA LEU 84 HA LEU 84 8.239 -2.619 2.089 694 HB2 LEU 84 HB2 LEU 84 6.244 -3.796 2.942 695 HB3 LEU 84 HB3 LEU 84 6.209 -2.716 4.320 696 HG LEU 84 HG LEU 84 5.846 -0.810 2.756 697 HD11 LEU 84 HD11 LEU 84 6.801 -1.746 0.740 698 HD12 LEU 84 HD12 LEU 84 5.110 -1.332 0.465 699 HD13 LEU 84 HD13 LEU 84 5.576 -3.013 0.716 700 HD21 LEU 84 HD21 LEU 84 3.817 -3.031 2.592 701 HD22 LEU 84 HD22 LEU 84 3.508 -1.314 2.331 702 HD23 LEU 84 HD23 LEU 84 3.991 -1.891 3.925 703 H TYR 85 H TYR 85 8.599 -1.919 5.497 704 HA TYR 85 HA TYR 85 8.344 0.927 5.144 705 HB2 TYR 85 HB2 TYR 85 7.814 0.770 7.306 706 HB3 TYR 85 HB3 TYR 85 8.281 -0.922 7.321 707 HD1 TYR 85 HD2 TYR 85 10.510 -1.585 8.091 708 HD2 TYR 85 HD1 TYR 85 9.260 2.476 8.204 709 HE1 TYR 85 HE2 TYR 85 12.349 -1.067 9.635 710 HE2 TYR 85 HE1 TYR 85 11.094 3.008 9.748 711 HH TYR 85 HH TYR 85 13.669 0.860 10.358 712 H VAL 86 H VAL 86 10.957 -1.395 5.564 713 HA VAL 86 HA VAL 86 12.986 0.546 5.988 714 HB VAL 86 HB VAL 86 13.415 -1.607 6.858 715 HG11 VAL 86 HG11 VAL 86 13.508 -3.630 5.510 716 HG12 VAL 86 HG12 VAL 86 13.005 -2.711 4.093 717 HG13 VAL 86 HG13 VAL 86 11.911 -2.888 5.469 718 HG21 VAL 86 HG21 VAL 86 15.104 -1.139 4.427 719 HG22 VAL 86 HG22 VAL 86 15.445 -2.401 5.614 720 HG23 VAL 86 HG23 VAL 86 15.457 -0.701 6.102 721 H ALA 87 H ALA 87 11.707 -1.047 3.120 722 HA ALA 87 HA ALA 87 13.828 -0.529 1.380 723 HB1 ALA 87 HB1 ALA 87 12.029 -2.046 0.805 724 HB2 ALA 87 HB2 ALA 87 12.242 -0.805 -0.431 725 HB3 ALA 87 HB3 ALA 87 10.902 -0.692 0.713 726 H GLU 88 H GLU 88 11.092 1.495 2.301 727 HA GLU 88 HA GLU 88 11.205 3.405 0.310 728 HB2 GLU 88 HB2 GLU 88 10.397 3.628 3.183 729 HB3 GLU 88 HB3 GLU 88 10.231 4.954 2.040 730 HG2 GLU 88 HG2 GLU 88 8.908 2.265 1.931 731 HG3 GLU 88 HG3 GLU 88 8.163 3.837 2.164 732 H GLN 89 H GLN 89 12.747 3.615 3.517 733 HA GLN 89 HA GLN 89 14.151 6.001 2.634 734 HB2 GLN 89 HB2 GLN 89 14.890 6.095 5.044 735 HB3 GLN 89 HB3 GLN 89 13.163 6.244 4.760 736 HG2 GLN 89 HG2 GLN 89 12.890 3.868 5.340 737 HG3 GLN 89 HG3 GLN 89 14.615 3.779 5.689 738 HE21 GLN 89 HE21 GLN 89 14.695 6.458 6.838 739 HE22 GLN 89 HE22 GLN 89 13.958 6.324 8.397 740 H PHE 90 H PHE 90 14.835 2.646 3.038 741 HA PHE 90 HA PHE 90 17.689 3.199 3.258 742 HB2 PHE 90 HB2 PHE 90 16.091 0.674 3.597 743 HB3 PHE 90 HB3 PHE 90 17.852 0.640 3.415 744 HD1 PHE 90 HD1 PHE 90 15.064 1.641 5.561 745 HD2 PHE 90 HD2 PHE 90 19.293 1.481 5.149 746 HE1 PHE 90 HE1 PHE 90 15.312 2.100 7.967 747 HE2 PHE 90 HE2 PHE 90 19.553 1.941 7.551 748 HZ PHE 90 HZ PHE 90 17.564 2.305 8.950 749 H GLY 91 H GLY 91 15.372 1.996 0.865 750 HA2 GLY 91 HA2 GLY 91 16.020 2.711 -1.391 751 HA3 GLY 91 HA3 GLY 91 17.658 2.210 -1.006 752 H GLU 92 H GLU 92 15.065 0.208 0.016 753 HA GLU 92 HA GLU 92 14.007 -1.636 -0.759 754 HB2 GLU 92 HB2 GLU 92 15.097 -1.012 -3.499 755 HB3 GLU 92 HB3 GLU 92 13.635 -1.899 -3.094 756 HG2 GLU 92 HG2 GLU 92 12.515 0.043 -2.419 757 HG3 GLU 92 HG3 GLU 92 14.012 0.974 -2.382 758 H GLU 93 H GLU 93 16.985 -1.481 -2.713 759 HA GLU 93 HA GLU 93 17.398 -4.323 -2.431 760 HB2 GLU 93 HB2 GLU 93 19.459 -3.940 -3.704 761 HB3 GLU 93 HB3 GLU 93 18.085 -3.167 -4.476 762 HG2 GLU 93 HG2 GLU 93 18.771 -1.014 -3.625 763 HG3 GLU 93 HG3 GLU 93 20.099 -1.761 -2.739 764 H ASN 94 H ASN 94 18.524 -1.430 -0.933 765 HA ASN 94 HA ASN 94 20.852 -2.377 0.314 766 HB2 ASN 94 HB2 ASN 94 18.969 -0.113 0.902 767 HB3 ASN 94 HB3 ASN 94 20.360 -0.437 1.914 768 HD21 ASN 94 HD21 ASN 94 19.243 0.753 -1.108 769 HD22 ASN 94 HD22 ASN 94 20.759 1.355 -1.664 770 H VAL 95 H VAL 95 17.524 -2.435 1.250 771 HA VAL 95 HA VAL 95 17.455 -2.933 3.900 772 HB VAL 95 HB VAL 95 15.389 -4.027 3.646 773 HG11 VAL 95 HG11 VAL 95 15.612 -2.411 1.122 774 HG12 VAL 95 HG12 VAL 95 15.541 -1.696 2.728 775 HG13 VAL 95 HG13 VAL 95 14.187 -2.655 2.132 776 HG21 VAL 95 HG21 VAL 95 14.650 -5.123 1.580 777 HG22 VAL 95 HG22 VAL 95 16.102 -5.881 2.241 778 HG23 VAL 95 HG23 VAL 95 16.225 -4.800 0.852 779 H ASN 96 H ASN 96 18.625 -5.108 1.460 780 HA ASN 96 HA ASN 96 18.550 -7.570 2.713 781 HB2 ASN 96 HB2 ASN 96 19.171 -7.256 0.393 782 HB3 ASN 96 HB3 ASN 96 20.629 -6.396 0.867 783 HD21 ASN 96 HD21 ASN 96 19.073 -9.496 0.662 784 HD22 ASN 96 HD22 ASN 96 20.496 -10.448 0.911 785 H THR 97 H THR 97 20.423 -4.808 3.501 786 HA THR 97 HA THR 97 22.560 -6.036 4.876 787 HB THR 97 HB THR 97 22.594 -3.688 4.147 788 HG1 THR 97 HG1 THR 97 23.890 -4.398 5.984 789 HG21 THR 97 HG21 THR 97 21.385 -1.969 5.428 790 HG22 THR 97 HG22 THR 97 20.543 -3.241 6.313 791 HG23 THR 97 HG23 THR 97 20.293 -3.060 4.572 792 H TYR 98 H TYR 98 19.327 -5.056 5.873 793 HA TYR 98 HA TYR 98 19.813 -5.933 8.612 794 HB2 TYR 98 HB2 TYR 98 17.431 -4.678 7.247 795 HB3 TYR 98 HB3 TYR 98 17.358 -5.297 8.900 796 HD1 TYR 98 HD2 TYR 98 19.093 -4.327 10.570 797 HD2 TYR 98 HD1 TYR 98 18.125 -2.508 6.851 798 HE1 TYR 98 HE2 TYR 98 19.966 -2.183 11.396 799 HE2 TYR 98 HE1 TYR 98 18.997 -0.363 7.665 800 HH TYR 98 HH TYR 98 20.882 -0.081 10.455 801 H PHE 99 H PHE 99 18.705 -7.141 5.674 802 HA PHE 99 HA PHE 99 17.184 -9.310 6.884 803 HB2 PHE 99 HB2 PHE 99 17.568 -8.339 4.064 804 HB3 PHE 99 HB3 PHE 99 16.860 -9.913 4.386 805 HD1 PHE 99 HD2 PHE 99 16.443 -6.312 4.721 806 HD2 PHE 99 HD1 PHE 99 14.658 -10.123 5.278 807 HE1 PHE 99 HE2 PHE 99 14.238 -5.233 5.030 808 HE2 PHE 99 HE1 PHE 99 12.463 -9.078 5.583 809 HZ PHE 99 HZ PHE 99 12.246 -6.630 5.517 810 H VAL 100 H VAL 100 17.734 -11.270 4.969 811 HA VAL 100 HA VAL 100 19.850 -12.644 6.047 812 HB VAL 100 HB VAL 100 18.189 -13.821 4.805 813 HG11 VAL 100 HG11 VAL 100 17.937 -13.634 2.375 814 HG12 VAL 100 HG12 VAL 100 19.133 -12.339 2.354 815 HG13 VAL 100 HG13 VAL 100 17.598 -12.104 3.186 816 HG21 VAL 100 HG21 VAL 100 19.570 -15.195 3.282 817 HG22 VAL 100 HG22 VAL 100 20.343 -14.899 4.838 818 HG23 VAL 100 HG23 VAL 100 20.856 -13.995 3.414 Start of MODEL 16 1 H1 MET -4 H1 MET -4 -3.427 5.515 20.917 2 H2 MET -4 H2 MET -4 -3.437 6.547 19.579 3 H3 MET -4 H3 MET -4 -3.915 4.939 19.402 4 HA MET -4 HA MET -4 -5.819 5.294 20.802 5 HB2 MET -4 HB2 MET -4 -4.714 8.100 20.949 6 HB3 MET -4 HB3 MET -4 -6.388 7.722 21.324 7 HG2 MET -4 HG2 MET -4 -5.111 7.868 23.351 8 HG3 MET -4 HG3 MET -4 -5.637 6.207 23.097 9 HE1 MET -4 HE1 MET -4 -3.904 5.375 24.926 10 HE2 MET -4 HE2 MET -4 -3.376 7.038 25.183 11 HE3 MET -4 HE3 MET -4 -2.185 5.771 24.894 12 H ARG -3 H ARG -3 -5.052 8.196 18.867 13 HA ARG -3 HA ARG -3 -7.366 7.623 17.186 14 HB2 ARG -3 HB2 ARG -3 -5.462 9.973 17.139 15 HB3 ARG -3 HB3 ARG -3 -6.946 9.835 16.210 16 HG2 ARG -3 HG2 ARG -3 -8.251 9.846 18.261 17 HG3 ARG -3 HG3 ARG -3 -6.767 9.938 19.213 18 HD2 ARG -3 HD2 ARG -3 -7.784 11.989 17.250 19 HD3 ARG -3 HD3 ARG -3 -7.744 12.142 19.006 20 HE ARG -3 HE ARG -3 -5.160 11.726 18.451 21 HH11 ARG -3 HH11 ARG -3 -7.503 13.910 17.039 22 HH12 ARG -3 HH12 ARG -3 -6.319 15.091 16.578 23 HH21 ARG -3 HH21 ARG -3 -3.595 13.280 17.838 24 HH22 ARG -3 HH22 ARG -3 -4.098 14.725 17.018 25 H SER -2 H SER -2 -7.061 6.312 15.491 26 HA SER -2 HA SER -2 -4.458 6.388 14.124 27 HB2 SER -2 HB2 SER -2 -6.627 4.283 13.936 28 HB3 SER -2 HB3 SER -2 -4.999 4.182 13.265 29 HG SER -2 HG SER -2 -4.553 4.672 15.732 30 HA PRO -1 HA PRO -1 -7.047 8.788 11.251 31 HB2 PRO -1 HB2 PRO -1 -4.418 9.346 10.034 32 HB3 PRO -1 HB3 PRO -1 -5.645 10.471 10.623 33 HG2 PRO -1 HG2 PRO -1 -3.352 10.104 11.948 34 HG3 PRO -1 HG3 PRO -1 -4.881 10.371 12.805 35 HD2 PRO -1 HD2 PRO -1 -3.408 7.806 12.311 36 HD3 PRO -1 HD3 PRO -1 -4.219 8.374 13.788 37 H GLY 0 H GLY 0 -8.049 7.730 9.688 38 HA2 GLY 0 HA2 GLY 0 -7.865 6.978 7.351 39 HA3 GLY 0 HA3 GLY 0 -6.421 6.097 7.838 40 H MET 1 H MET 1 -8.181 5.641 10.424 41 HA MET 1 HA MET 1 -9.345 3.158 9.417 42 HB2 MET 1 HB2 MET 1 -8.890 4.147 12.237 43 HB3 MET 1 HB3 MET 1 -9.637 2.606 11.835 44 HG2 MET 1 HG2 MET 1 -6.832 3.453 11.148 45 HG3 MET 1 HG3 MET 1 -7.300 2.317 12.411 46 HE1 MET 1 HE1 MET 1 -5.572 0.056 9.683 47 HE2 MET 1 HE2 MET 1 -5.550 0.562 11.372 48 HE3 MET 1 HE3 MET 1 -5.142 1.714 10.101 49 H ALA 2 H ALA 2 -11.357 3.273 8.723 50 HA ALA 2 HA ALA 2 -13.153 5.265 9.928 51 HB1 ALA 2 HB1 ALA 2 -12.728 5.570 7.542 52 HB2 ALA 2 HB2 ALA 2 -14.417 5.164 7.843 53 HB3 ALA 2 HB3 ALA 2 -13.312 3.937 7.224 54 H ASP 3 H ASP 3 -14.316 4.324 11.487 55 HA ASP 3 HA ASP 3 -15.149 1.579 11.357 56 HB2 ASP 3 HB2 ASP 3 -14.697 2.523 13.528 57 HB3 ASP 3 HB3 ASP 3 -15.874 3.806 13.267 58 H GLN 4 H GLN 4 -17.154 0.763 11.026 59 HA GLN 4 HA GLN 4 -19.406 2.455 10.412 60 HB2 GLN 4 HB2 GLN 4 -19.740 1.494 8.163 61 HB3 GLN 4 HB3 GLN 4 -18.254 2.429 8.261 62 HG2 GLN 4 HG2 GLN 4 -17.041 0.265 8.638 63 HG3 GLN 4 HG3 GLN 4 -18.552 -0.558 8.243 64 HE21 GLN 4 HE21 GLN 4 -19.304 1.450 6.260 65 HE22 GLN 4 HE22 GLN 4 -18.306 1.149 4.881 66 H ARG 5 H ARG 5 -21.201 0.707 9.458 67 HA ARG 5 HA ARG 5 -21.650 -0.944 11.703 68 HB2 ARG 5 HB2 ARG 5 -23.721 -1.451 10.767 69 HB3 ARG 5 HB3 ARG 5 -23.351 0.133 10.125 70 HG2 ARG 5 HG2 ARG 5 -24.195 -0.943 8.292 71 HG3 ARG 5 HG3 ARG 5 -22.458 -1.177 8.080 72 HD2 ARG 5 HD2 ARG 5 -23.520 -3.274 7.678 73 HD3 ARG 5 HD3 ARG 5 -22.688 -3.356 9.234 74 HE ARG 5 HE ARG 5 -25.544 -2.718 9.223 75 HH11 ARG 5 HH11 ARG 5 -22.982 -5.012 9.914 76 HH12 ARG 5 HH12 ARG 5 -23.993 -6.042 10.871 77 HH21 ARG 5 HH21 ARG 5 -26.860 -4.061 10.492 78 HH22 ARG 5 HH22 ARG 5 -26.198 -5.496 11.209 79 H GLN 6 H GLN 6 -20.574 -1.679 8.421 80 HA GLN 6 HA GLN 6 -19.679 -4.299 9.424 81 HB2 GLN 6 HB2 GLN 6 -20.460 -3.393 6.682 82 HB3 GLN 6 HB3 GLN 6 -19.353 -4.743 6.880 83 HG2 GLN 6 HG2 GLN 6 -22.082 -4.610 8.111 84 HG3 GLN 6 HG3 GLN 6 -21.732 -5.383 6.574 85 HE21 GLN 6 HE21 GLN 6 -22.373 -7.382 7.264 86 HE22 GLN 6 HE22 GLN 6 -21.456 -8.325 8.389 87 H ARG 7 H ARG 7 -17.705 -3.813 10.271 88 HA ARG 7 HA ARG 7 -15.920 -2.019 8.853 89 HB2 ARG 7 HB2 ARG 7 -14.360 -2.888 10.836 90 HB3 ARG 7 HB3 ARG 7 -15.500 -1.558 11.043 91 HG2 ARG 7 HG2 ARG 7 -16.286 -4.381 11.624 92 HG3 ARG 7 HG3 ARG 7 -15.371 -3.437 12.801 93 HD2 ARG 7 HD2 ARG 7 -17.077 -1.739 12.852 94 HD3 ARG 7 HD3 ARG 7 -17.965 -2.536 11.560 95 HE ARG 7 HE ARG 7 -17.721 -4.368 13.640 96 HH11 ARG 7 HH11 ARG 7 -19.228 -1.259 13.074 97 HH12 ARG 7 HH12 ARG 7 -20.483 -1.511 14.247 98 HH21 ARG 7 HH21 ARG 7 -19.380 -4.708 15.178 99 HH22 ARG 7 HH22 ARG 7 -20.569 -3.474 15.444 100 H SER 8 H SER 8 -16.007 -5.356 9.941 101 HA SER 8 HA SER 8 -13.297 -5.797 9.426 102 HB2 SER 8 HB2 SER 8 -15.481 -7.814 9.843 103 HB3 SER 8 HB3 SER 8 -13.754 -8.074 10.064 104 HG SER 8 HG SER 8 -13.924 -6.274 11.630 105 H LEU 9 H LEU 9 -16.050 -5.978 7.348 106 HA LEU 9 HA LEU 9 -14.770 -7.803 5.510 107 HB2 LEU 9 HB2 LEU 9 -16.756 -7.383 4.063 108 HB3 LEU 9 HB3 LEU 9 -17.107 -8.060 5.634 109 HG LEU 9 HG LEU 9 -17.748 -5.730 6.378 110 HD11 LEU 9 HD11 LEU 9 -16.647 -4.452 4.612 111 HD12 LEU 9 HD12 LEU 9 -18.383 -4.138 4.642 112 HD13 LEU 9 HD13 LEU 9 -17.700 -5.200 3.410 113 HD21 LEU 9 HD21 LEU 9 -19.958 -5.875 5.306 114 HD22 LEU 9 HD22 LEU 9 -19.389 -7.439 5.889 115 HD23 LEU 9 HD23 LEU 9 -19.309 -7.058 4.169 116 H SER 10 H SER 10 -14.543 -4.522 6.120 117 HA SER 10 HA SER 10 -13.933 -3.796 3.378 118 HB2 SER 10 HB2 SER 10 -13.778 -2.205 5.930 119 HB3 SER 10 HB3 SER 10 -13.485 -1.551 4.322 120 HG SER 10 HG SER 10 -15.755 -1.562 5.465 121 H THR 11 H THR 11 -12.376 -5.306 5.868 122 HA THR 11 HA THR 11 -9.743 -4.535 4.816 123 HB THR 11 HB THR 11 -8.891 -5.599 6.991 124 HG1 THR 11 HG1 THR 11 -11.031 -6.516 7.485 125 HG21 THR 11 HG21 THR 11 -8.829 -3.198 6.584 126 HG22 THR 11 HG22 THR 11 -9.263 -3.523 8.262 127 HG23 THR 11 HG23 THR 11 -10.507 -3.050 7.105 128 H SER 12 H SER 12 -9.381 -5.954 3.216 129 HA SER 12 HA SER 12 -10.185 -8.736 3.507 130 HB2 SER 12 HB2 SER 12 -9.366 -8.762 1.052 131 HB3 SER 12 HB3 SER 12 -10.828 -7.849 1.430 132 HG SER 12 HG SER 12 -8.737 -6.925 0.221 133 H GLY 13 H GLY 13 -7.472 -6.897 4.101 134 HA2 GLY 13 HA2 GLY 13 -5.586 -8.125 5.106 135 HA3 GLY 13 HA3 GLY 13 -5.714 -9.249 3.760 136 H GLU 14 H GLU 14 -6.241 -7.056 1.872 137 HA GLU 14 HA GLU 14 -3.506 -6.330 1.316 138 HB2 GLU 14 HB2 GLU 14 -4.418 -5.379 -0.745 139 HB3 GLU 14 HB3 GLU 14 -5.035 -7.004 -0.491 140 HG2 GLU 14 HG2 GLU 14 -7.025 -5.734 0.637 141 HG3 GLU 14 HG3 GLU 14 -6.442 -4.392 -0.348 142 H SER 15 H SER 15 -2.767 -4.147 1.107 143 HA SER 15 HA SER 15 -4.248 -2.332 2.891 144 HB2 SER 15 HB2 SER 15 -2.279 -3.271 4.012 145 HB3 SER 15 HB3 SER 15 -1.248 -2.689 2.706 146 HG SER 15 HG SER 15 -2.293 -1.345 4.846 147 H LEU 16 H LEU 16 -1.522 -2.175 0.571 148 HA LEU 16 HA LEU 16 -1.878 0.552 -0.010 149 HB2 LEU 16 HB2 LEU 16 -0.506 -1.663 -1.509 150 HB3 LEU 16 HB3 LEU 16 -0.514 -0.014 -2.084 151 HG LEU 16 HG LEU 16 1.566 -0.505 -1.001 152 HD11 LEU 16 HD11 LEU 16 1.643 1.287 0.673 153 HD12 LEU 16 HD12 LEU 16 -0.120 1.329 0.690 154 HD13 LEU 16 HD13 LEU 16 0.760 1.769 -0.775 155 HD21 LEU 16 HD21 LEU 16 1.727 -1.041 1.377 156 HD22 LEU 16 HD22 LEU 16 0.877 -2.296 0.475 157 HD23 LEU 16 HD23 LEU 16 -0.031 -1.151 1.463 158 H TYR 17 H TYR 17 -2.808 -2.340 -1.809 159 HA TYR 17 HA TYR 17 -4.195 -1.198 -3.910 160 HB2 TYR 17 HB2 TYR 17 -4.985 -3.683 -2.377 161 HB3 TYR 17 HB3 TYR 17 -5.513 -3.267 -4.002 162 HD1 TYR 17 HD2 TYR 17 -3.856 -3.253 -5.861 163 HD2 TYR 17 HD1 TYR 17 -2.893 -4.734 -1.994 164 HE1 TYR 17 HE2 TYR 17 -1.897 -4.413 -6.799 165 HE2 TYR 17 HE1 TYR 17 -0.933 -5.897 -2.916 166 HH TYR 17 HH TYR 17 -0.022 -6.667 -4.910 167 H HIS 18 H HIS 18 -5.245 -1.775 -0.611 168 HA HIS 18 HA HIS 18 -7.973 -1.212 -0.865 169 HB2 HIS 18 HB2 HIS 18 -6.994 -2.280 1.113 170 HB3 HIS 18 HB3 HIS 18 -6.150 -0.788 1.511 171 HD1 HIS 18 HD1 HIS 18 -7.415 0.934 2.854 172 HD2 HIS 18 HD2 HIS 18 -9.834 -2.122 1.410 173 HE1 HIS 18 HE1 HIS 18 -9.647 1.267 3.957 174 HE2 HIS 18 HE2 HIS 18 -11.146 -0.468 2.914 175 H VAL 19 H VAL 19 -5.206 0.920 -0.318 176 HA VAL 19 HA VAL 19 -6.736 3.220 0.344 177 HB VAL 19 HB VAL 19 -4.782 4.273 0.683 178 HG11 VAL 19 HG11 VAL 19 -3.797 1.489 0.149 179 HG12 VAL 19 HG12 VAL 19 -4.171 2.241 1.700 180 HG13 VAL 19 HG13 VAL 19 -2.758 2.761 0.779 181 HG21 VAL 19 HG21 VAL 19 -3.932 3.279 -2.028 182 HG22 VAL 19 HG22 VAL 19 -2.841 4.161 -0.953 183 HG23 VAL 19 HG23 VAL 19 -4.322 4.931 -1.525 184 H LEU 20 H LEU 20 -5.621 1.813 -2.629 185 HA LEU 20 HA LEU 20 -6.339 4.172 -4.177 186 HB2 LEU 20 HB2 LEU 20 -4.918 1.612 -4.762 187 HB3 LEU 20 HB3 LEU 20 -5.571 2.560 -6.087 188 HG LEU 20 HG LEU 20 -3.535 3.509 -4.070 189 HD11 LEU 20 HD11 LEU 20 -3.255 2.829 -6.992 190 HD12 LEU 20 HD12 LEU 20 -2.608 1.896 -5.641 191 HD13 LEU 20 HD13 LEU 20 -1.995 3.520 -5.967 192 HD21 LEU 20 HD21 LEU 20 -4.893 5.354 -4.751 193 HD22 LEU 20 HD22 LEU 20 -4.793 4.873 -6.446 194 HD23 LEU 20 HD23 LEU 20 -3.353 5.454 -5.603 195 H GLY 21 H GLY 21 -7.809 1.423 -3.047 196 HA2 GLY 21 HA2 GLY 21 -9.989 0.745 -3.277 197 HA3 GLY 21 HA3 GLY 21 -10.227 2.038 -4.438 198 H LEU 22 H LEU 22 -7.606 0.094 -5.307 199 HA LEU 22 HA LEU 22 -9.317 -1.388 -7.173 200 HB2 LEU 22 HB2 LEU 22 -7.107 -1.682 -8.455 201 HB3 LEU 22 HB3 LEU 22 -7.917 -0.136 -8.527 202 HG LEU 22 HG LEU 22 -6.321 0.609 -6.671 203 HD11 LEU 22 HD11 LEU 22 -4.200 -0.583 -6.542 204 HD12 LEU 22 HD12 LEU 22 -4.835 -1.843 -7.600 205 HD13 LEU 22 HD13 LEU 22 -5.535 -1.600 -5.999 206 HD21 LEU 22 HD21 LEU 22 -5.206 -0.075 -9.389 207 HD22 LEU 22 HD22 LEU 22 -4.579 1.140 -8.274 208 HD23 LEU 22 HD23 LEU 22 -6.174 1.348 -8.992 209 H ASP 23 H ASP 23 -8.460 -3.526 -7.847 210 HA ASP 23 HA ASP 23 -7.898 -5.088 -5.465 211 HB2 ASP 23 HB2 ASP 23 -8.487 -5.862 -8.321 212 HB3 ASP 23 HB3 ASP 23 -8.131 -7.025 -7.060 213 H LYS 24 H LYS 24 -6.431 -7.042 -5.945 214 HA LYS 24 HA LYS 24 -3.790 -5.908 -6.197 215 HB2 LYS 24 HB2 LYS 24 -4.558 -8.789 -5.716 216 HB3 LYS 24 HB3 LYS 24 -3.028 -8.019 -5.337 217 HG2 LYS 24 HG2 LYS 24 -3.905 -6.846 -3.544 218 HG3 LYS 24 HG3 LYS 24 -5.556 -7.061 -4.117 219 HD2 LYS 24 HD2 LYS 24 -3.811 -9.314 -3.152 220 HD3 LYS 24 HD3 LYS 24 -4.966 -8.454 -2.130 221 HE2 LYS 24 HE2 LYS 24 -6.756 -9.066 -3.740 222 HE3 LYS 24 HE3 LYS 24 -5.580 -10.039 -4.621 223 HZ1 LYS 24 HZ1 LYS 24 -6.816 -11.443 -3.155 224 HZ2 LYS 24 HZ2 LYS 24 -6.483 -10.455 -1.824 225 HZ3 LYS 24 HZ3 LYS 24 -5.239 -11.327 -2.559 226 H ASN 25 H ASN 25 -5.744 -6.504 -8.475 227 HA ASN 25 HA ASN 25 -3.854 -7.964 -10.175 228 HB2 ASN 25 HB2 ASN 25 -6.862 -8.069 -10.082 229 HB3 ASN 25 HB3 ASN 25 -5.957 -8.593 -11.500 230 HD21 ASN 25 HD21 ASN 25 -6.545 -9.196 -8.080 231 HD22 ASN 25 HD22 ASN 25 -5.988 -10.831 -8.105 232 H ALA 26 H ALA 26 -4.777 -5.047 -9.433 233 HA ALA 26 HA ALA 26 -5.325 -3.862 -11.969 234 HB1 ALA 26 HB1 ALA 26 -4.563 -1.744 -10.874 235 HB2 ALA 26 HB2 ALA 26 -4.194 -2.702 -9.426 236 HB3 ALA 26 HB3 ALA 26 -5.858 -2.588 -10.003 237 H THR 27 H THR 27 -3.902 -2.879 -13.366 238 HA THR 27 HA THR 27 -1.180 -3.919 -13.212 239 HB THR 27 HB THR 27 -2.465 -4.217 -15.332 240 HG1 THR 27 HG1 THR 27 -0.199 -4.172 -15.452 241 HG21 THR 27 HG21 THR 27 -2.238 -1.214 -15.506 242 HG22 THR 27 HG22 THR 27 -3.729 -2.138 -15.328 243 HG23 THR 27 HG23 THR 27 -2.780 -2.272 -16.807 244 H SER 28 H SER 28 0.561 -2.335 -14.005 245 HA SER 28 HA SER 28 0.960 -0.341 -12.180 246 HB2 SER 28 HB2 SER 28 1.966 -0.373 -15.034 247 HB3 SER 28 HB3 SER 28 2.680 0.526 -13.696 248 HG SER 28 HG SER 28 3.693 -1.208 -13.134 249 H ASP 29 H ASP 29 -0.594 -0.115 -15.300 250 HA ASP 29 HA ASP 29 -0.902 2.625 -15.541 251 HB2 ASP 29 HB2 ASP 29 -1.414 1.129 -17.372 252 HB3 ASP 29 HB3 ASP 29 -2.735 0.410 -16.460 253 H ASP 30 H ASP 30 -3.103 0.309 -13.856 254 HA ASP 30 HA ASP 30 -5.045 2.407 -13.483 255 HB2 ASP 30 HB2 ASP 30 -5.454 -0.165 -13.711 256 HB3 ASP 30 HB3 ASP 30 -5.110 -0.186 -11.979 257 H ILE 31 H ILE 31 -2.537 0.840 -11.666 258 HA ILE 31 HA ILE 31 -3.063 1.896 -9.123 259 HB ILE 31 HB ILE 31 -0.470 1.079 -10.431 260 HG12 ILE 31 HG12 ILE 31 -1.899 -0.482 -8.325 261 HG13 ILE 31 HG13 ILE 31 -2.534 -0.510 -9.967 262 HG21 ILE 31 HG21 ILE 31 -0.041 2.585 -8.555 263 HG22 ILE 31 HG22 ILE 31 0.479 0.938 -8.196 264 HG23 ILE 31 HG23 ILE 31 -1.022 1.560 -7.507 265 HD11 ILE 31 HD11 ILE 31 -1.048 -2.392 -9.492 266 HD12 ILE 31 HD12 ILE 31 0.269 -1.258 -9.183 267 HD13 ILE 31 HD13 ILE 31 -0.442 -1.366 -10.794 268 H LYS 32 H LYS 32 -1.232 3.162 -11.862 269 HA LYS 32 HA LYS 32 -0.297 5.473 -10.483 270 HB2 LYS 32 HB2 LYS 32 -0.477 4.882 -13.437 271 HB3 LYS 32 HB3 LYS 32 0.332 6.280 -12.741 272 HG2 LYS 32 HG2 LYS 32 1.972 4.923 -11.696 273 HG3 LYS 32 HG3 LYS 32 1.074 3.448 -12.062 274 HD2 LYS 32 HD2 LYS 32 1.431 3.861 -14.466 275 HD3 LYS 32 HD3 LYS 32 2.383 5.292 -14.062 276 HE2 LYS 32 HE2 LYS 32 4.015 3.944 -12.923 277 HE3 LYS 32 HE3 LYS 32 3.034 2.497 -13.138 278 HZ1 LYS 32 HZ1 LYS 32 3.354 2.670 -15.518 279 HZ2 LYS 32 HZ2 LYS 32 4.852 2.619 -14.738 280 HZ3 LYS 32 HZ3 LYS 32 4.257 4.087 -15.331 281 H LYS 33 H LYS 33 -2.949 4.922 -12.806 282 HA LYS 33 HA LYS 33 -3.825 7.603 -12.845 283 HB2 LYS 33 HB2 LYS 33 -5.450 5.101 -13.333 284 HB3 LYS 33 HB3 LYS 33 -5.908 6.733 -13.797 285 HG2 LYS 33 HG2 LYS 33 -3.732 6.737 -15.157 286 HG3 LYS 33 HG3 LYS 33 -3.757 4.990 -14.931 287 HD2 LYS 33 HD2 LYS 33 -5.976 6.627 -16.159 288 HD3 LYS 33 HD3 LYS 33 -4.811 5.648 -17.050 289 HE2 LYS 33 HE2 LYS 33 -5.643 3.636 -16.020 290 HE3 LYS 33 HE3 LYS 33 -6.708 4.570 -14.973 291 HZ1 LYS 33 HZ1 LYS 33 -7.963 5.275 -16.878 292 HZ2 LYS 33 HZ2 LYS 33 -7.864 3.586 -16.884 293 HZ3 LYS 33 HZ3 LYS 33 -6.897 4.493 -17.931 294 H SER 34 H SER 34 -4.952 4.805 -10.927 295 HA SER 34 HA SER 34 -6.969 6.148 -9.526 296 HB2 SER 34 HB2 SER 34 -6.336 3.602 -9.665 297 HB3 SER 34 HB3 SER 34 -5.391 3.972 -8.225 298 HG SER 34 HG SER 34 -7.225 3.717 -7.213 299 H TYR 35 H TYR 35 -3.510 5.961 -9.051 300 HA TYR 35 HA TYR 35 -3.316 7.160 -6.549 301 HB2 TYR 35 HB2 TYR 35 -1.282 6.383 -7.427 302 HB3 TYR 35 HB3 TYR 35 -1.515 7.212 -8.968 303 HD1 TYR 35 HD1 TYR 35 -1.216 8.082 -5.329 304 HD2 TYR 35 HD2 TYR 35 -0.219 9.086 -9.340 305 HE1 TYR 35 HE1 TYR 35 0.107 9.970 -4.516 306 HE2 TYR 35 HE2 TYR 35 1.123 10.981 -8.531 307 HH TYR 35 HH TYR 35 2.055 11.332 -5.330 308 H ARG 36 H ARG 36 -3.233 8.737 -9.737 309 HA ARG 36 HA ARG 36 -3.115 11.362 -8.824 310 HB2 ARG 36 HB2 ARG 36 -4.404 10.294 -11.342 311 HB3 ARG 36 HB3 ARG 36 -3.979 11.977 -11.058 312 HG2 ARG 36 HG2 ARG 36 -1.997 9.716 -11.058 313 HG3 ARG 36 HG3 ARG 36 -2.351 10.726 -12.459 314 HD2 ARG 36 HD2 ARG 36 -1.633 12.706 -11.216 315 HD3 ARG 36 HD3 ARG 36 -1.321 11.710 -9.796 316 HE ARG 36 HE ARG 36 0.154 10.721 -11.982 317 HH11 ARG 36 HH11 ARG 36 0.075 13.416 -9.749 318 HH12 ARG 36 HH12 ARG 36 1.779 13.727 -9.865 319 HH21 ARG 36 HH21 ARG 36 2.398 11.126 -12.136 320 HH22 ARG 36 HH22 ARG 36 3.095 12.433 -11.235 321 H LYS 37 H LYS 37 -5.938 9.524 -9.850 322 HA LYS 37 HA LYS 37 -7.959 11.324 -9.519 323 HB2 LYS 37 HB2 LYS 37 -7.906 8.366 -8.951 324 HB3 LYS 37 HB3 LYS 37 -9.384 9.314 -9.012 325 HG2 LYS 37 HG2 LYS 37 -9.294 9.566 -11.266 326 HG3 LYS 37 HG3 LYS 37 -7.533 9.431 -11.332 327 HD2 LYS 37 HD2 LYS 37 -8.771 7.489 -12.306 328 HD3 LYS 37 HD3 LYS 37 -7.661 7.056 -11.002 329 HE2 LYS 37 HE2 LYS 37 -9.648 5.878 -10.539 330 HE3 LYS 37 HE3 LYS 37 -9.638 7.271 -9.453 331 HZ1 LYS 37 HZ1 LYS 37 -11.183 8.403 -10.847 332 HZ2 LYS 37 HZ2 LYS 37 -11.810 6.867 -10.520 333 HZ3 LYS 37 HZ3 LYS 37 -11.115 7.191 -12.025 334 H LEU 38 H LEU 38 -6.507 9.306 -7.000 335 HA LEU 38 HA LEU 38 -8.266 10.455 -4.988 336 HB2 LEU 38 HB2 LEU 38 -6.087 8.386 -4.893 337 HB3 LEU 38 HB3 LEU 38 -6.940 8.949 -3.470 338 HG LEU 38 HG LEU 38 -8.376 7.745 -5.823 339 HD11 LEU 38 HD11 LEU 38 -8.400 5.638 -4.577 340 HD12 LEU 38 HD12 LEU 38 -7.328 6.345 -3.368 341 HD13 LEU 38 HD13 LEU 38 -6.762 6.120 -5.023 342 HD21 LEU 38 HD21 LEU 38 -9.760 9.039 -4.309 343 HD22 LEU 38 HD22 LEU 38 -9.125 8.150 -2.926 344 HD23 LEU 38 HD23 LEU 38 -10.114 7.321 -4.128 345 H ALA 39 H ALA 39 -4.988 10.711 -6.071 346 HA ALA 39 HA ALA 39 -3.651 11.808 -3.944 347 HB1 ALA 39 HB1 ALA 39 -3.305 12.579 -6.831 348 HB2 ALA 39 HB2 ALA 39 -2.604 11.158 -6.056 349 HB3 ALA 39 HB3 ALA 39 -2.114 12.775 -5.545 350 H LEU 40 H LEU 40 -5.494 13.653 -6.403 351 HA LEU 40 HA LEU 40 -4.971 16.079 -4.946 352 HB2 LEU 40 HB2 LEU 40 -6.885 16.967 -6.559 353 HB3 LEU 40 HB3 LEU 40 -5.218 16.826 -7.046 354 HG LEU 40 HG LEU 40 -6.956 16.118 -8.716 355 HD11 LEU 40 HD11 LEU 40 -5.681 14.107 -9.442 356 HD12 LEU 40 HD12 LEU 40 -4.785 14.208 -7.926 357 HD13 LEU 40 HD13 LEU 40 -4.695 15.529 -9.090 358 HD21 LEU 40 HD21 LEU 40 -8.423 14.897 -7.160 359 HD22 LEU 40 HD22 LEU 40 -7.180 13.651 -7.026 360 HD23 LEU 40 HD23 LEU 40 -7.956 13.956 -8.577 361 H LYS 41 H LYS 41 -7.741 13.967 -5.382 362 HA LYS 41 HA LYS 41 -9.682 15.201 -3.908 363 HB2 LYS 41 HB2 LYS 41 -10.069 13.095 -5.029 364 HB3 LYS 41 HB3 LYS 41 -8.923 12.276 -3.979 365 HG2 LYS 41 HG2 LYS 41 -10.417 12.724 -2.064 366 HG3 LYS 41 HG3 LYS 41 -11.585 13.434 -3.181 367 HD2 LYS 41 HD2 LYS 41 -11.742 11.306 -4.374 368 HD3 LYS 41 HD3 LYS 41 -10.556 10.599 -3.281 369 HE2 LYS 41 HE2 LYS 41 -12.042 10.863 -1.414 370 HE3 LYS 41 HE3 LYS 41 -13.208 11.733 -2.407 371 HZ1 LYS 41 HZ1 LYS 41 -13.863 9.429 -2.069 372 HZ2 LYS 41 HZ2 LYS 41 -12.417 8.889 -2.756 373 HZ3 LYS 41 HZ3 LYS 41 -13.542 9.721 -3.706 374 H TYR 42 H TYR 42 -6.928 13.350 -2.694 375 HA TYR 42 HA TYR 42 -7.597 14.227 0.038 376 HB2 TYR 42 HB2 TYR 42 -6.060 11.858 -1.010 377 HB3 TYR 42 HB3 TYR 42 -5.892 12.398 0.660 378 HD1 TYR 42 HD2 TYR 42 -7.927 12.360 2.165 379 HD2 TYR 42 HD1 TYR 42 -7.920 10.615 -1.710 380 HE1 TYR 42 HE2 TYR 42 -9.931 11.064 2.748 381 HE2 TYR 42 HE1 TYR 42 -9.924 9.322 -1.144 382 HH TYR 42 HH TYR 42 -11.867 9.989 1.440 383 H HIS 43 H HIS 43 -6.231 15.817 -2.050 384 HA HIS 43 HA HIS 43 -3.492 16.032 -1.426 385 HB2 HIS 43 HB2 HIS 43 -5.003 17.133 -3.342 386 HB3 HIS 43 HB3 HIS 43 -5.023 18.476 -2.201 387 HD1 HIS 43 HD1 HIS 43 -3.061 20.036 -2.324 388 HD2 HIS 43 HD2 HIS 43 -2.243 16.327 -4.039 389 HE1 HIS 43 HE1 HIS 43 -0.767 20.236 -3.323 390 HE2 HIS 43 HE2 HIS 43 -0.228 17.938 -4.201 391 HA PRO 44 HA PRO 44 -3.219 17.343 2.692 392 HB2 PRO 44 HB2 PRO 44 -1.582 19.590 2.339 393 HB3 PRO 44 HB3 PRO 44 -1.031 17.932 2.600 394 HG2 PRO 44 HG2 PRO 44 -1.414 19.460 0.058 395 HG3 PRO 44 HG3 PRO 44 -0.112 18.327 0.501 396 HD2 PRO 44 HD2 PRO 44 -2.018 17.526 -1.113 397 HD3 PRO 44 HD3 PRO 44 -1.520 16.452 0.213 398 H ASP 45 H ASP 45 -4.028 19.776 0.354 399 HA ASP 45 HA ASP 45 -4.589 21.810 2.288 400 HB2 ASP 45 HB2 ASP 45 -5.348 21.810 -0.622 401 HB3 ASP 45 HB3 ASP 45 -5.025 23.199 0.406 402 H LYS 46 H LYS 46 -6.285 19.227 0.906 403 HA LYS 46 HA LYS 46 -8.924 20.412 1.132 404 HB2 LYS 46 HB2 LYS 46 -8.043 17.588 0.524 405 HB3 LYS 46 HB3 LYS 46 -9.664 18.213 0.342 406 HG2 LYS 46 HG2 LYS 46 -8.494 19.949 -1.210 407 HG3 LYS 46 HG3 LYS 46 -7.244 18.715 -1.288 408 HD2 LYS 46 HD2 LYS 46 -8.793 17.093 -2.127 409 HD3 LYS 46 HD3 LYS 46 -10.152 18.188 -1.874 410 HE2 LYS 46 HE2 LYS 46 -7.862 18.740 -3.754 411 HE3 LYS 46 HE3 LYS 46 -9.385 18.002 -4.251 412 HZ1 LYS 46 HZ1 LYS 46 -9.068 20.697 -3.026 413 HZ2 LYS 46 HZ2 LYS 46 -10.536 19.999 -3.494 414 HZ3 LYS 46 HZ3 LYS 46 -9.375 20.387 -4.661 415 H ASN 47 H ASN 47 -7.076 19.852 3.516 416 HA ASN 47 HA ASN 47 -8.595 17.695 4.818 417 HB2 ASN 47 HB2 ASN 47 -5.775 18.599 5.389 418 HB3 ASN 47 HB3 ASN 47 -6.595 17.255 6.144 419 HD21 ASN 47 HD21 ASN 47 -6.752 18.016 2.708 420 HD22 ASN 47 HD22 ASN 47 -5.945 16.578 2.198 421 HA PRO 48 HA PRO 48 -9.633 20.649 8.076 422 HB2 PRO 48 HB2 PRO 48 -10.386 18.195 9.502 423 HB3 PRO 48 HB3 PRO 48 -11.372 19.602 9.104 424 HG2 PRO 48 HG2 PRO 48 -11.733 17.253 7.870 425 HG3 PRO 48 HG3 PRO 48 -11.908 18.788 6.998 426 HD2 PRO 48 HD2 PRO 48 -9.589 16.881 7.027 427 HD3 PRO 48 HD3 PRO 48 -10.332 17.729 5.652 428 H ASP 49 H ASP 49 -9.543 19.700 10.675 429 HA ASP 49 HA ASP 49 -6.848 20.196 11.295 430 HB2 ASP 49 HB2 ASP 49 -8.860 20.741 12.656 431 HB3 ASP 49 HB3 ASP 49 -8.987 19.035 13.069 432 H ASN 50 H ASN 50 -8.655 17.272 10.852 433 HA ASN 50 HA ASN 50 -6.810 15.532 12.163 434 HB2 ASN 50 HB2 ASN 50 -8.118 13.723 11.118 435 HB3 ASN 50 HB3 ASN 50 -9.162 14.896 11.906 436 HD21 ASN 50 HD21 ASN 50 -9.611 12.961 9.699 437 HD22 ASN 50 HD22 ASN 50 -10.229 13.911 8.389 438 HA PRO 51 HA PRO 51 -3.987 15.197 8.713 439 HB2 PRO 51 HB2 PRO 51 -2.280 13.448 9.804 440 HB3 PRO 51 HB3 PRO 51 -2.386 15.112 10.392 441 HG2 PRO 51 HG2 PRO 51 -3.550 12.613 11.549 442 HG3 PRO 51 HG3 PRO 51 -2.776 13.975 12.376 443 HD2 PRO 51 HD2 PRO 51 -5.504 13.622 12.156 444 HD3 PRO 51 HD3 PRO 51 -4.711 15.185 12.432 445 H GLU 52 H GLU 52 -6.450 13.370 9.133 446 HA GLU 52 HA GLU 52 -5.713 10.691 8.546 447 HB2 GLU 52 HB2 GLU 52 -7.856 11.330 9.595 448 HB3 GLU 52 HB3 GLU 52 -8.319 12.160 8.108 449 HG2 GLU 52 HG2 GLU 52 -8.301 10.050 6.908 450 HG3 GLU 52 HG3 GLU 52 -7.804 9.205 8.375 451 H ALA 53 H ALA 53 -7.087 13.289 6.588 452 HA ALA 53 HA ALA 53 -7.064 11.841 4.173 453 HB1 ALA 53 HB1 ALA 53 -7.575 13.962 3.140 454 HB2 ALA 53 HB2 ALA 53 -7.050 14.823 4.587 455 HB3 ALA 53 HB3 ALA 53 -8.479 13.791 4.647 456 H ALA 54 H ALA 54 -4.678 13.711 5.871 457 HA ALA 54 HA ALA 54 -2.741 13.873 3.795 458 HB1 ALA 54 HB1 ALA 54 -2.491 13.945 6.800 459 HB2 ALA 54 HB2 ALA 54 -2.492 15.317 5.688 460 HB3 ALA 54 HB3 ALA 54 -1.135 14.185 5.699 461 H ASP 55 H ASP 55 -3.335 11.640 6.466 462 HA ASP 55 HA ASP 55 -1.319 9.779 5.922 463 HB2 ASP 55 HB2 ASP 55 -3.915 9.739 7.380 464 HB3 ASP 55 HB3 ASP 55 -3.181 8.190 6.999 465 H LYS 56 H LYS 56 -4.567 10.153 4.697 466 HA LYS 56 HA LYS 56 -4.731 7.936 3.022 467 HB2 LYS 56 HB2 LYS 56 -5.923 10.644 3.072 468 HB3 LYS 56 HB3 LYS 56 -6.091 9.719 1.594 469 HG2 LYS 56 HG2 LYS 56 -7.026 8.929 4.335 470 HG3 LYS 56 HG3 LYS 56 -8.009 9.447 2.971 471 HD2 LYS 56 HD2 LYS 56 -6.386 6.919 3.188 472 HD3 LYS 56 HD3 LYS 56 -8.144 7.065 3.130 473 HE2 LYS 56 HE2 LYS 56 -7.995 7.929 0.846 474 HE3 LYS 56 HE3 LYS 56 -6.237 7.797 0.911 475 HZ1 LYS 56 HZ1 LYS 56 -7.122 5.889 -0.209 476 HZ2 LYS 56 HZ2 LYS 56 -8.177 5.559 1.068 477 HZ3 LYS 56 HZ3 LYS 56 -6.505 5.392 1.294 478 H PHE 57 H PHE 57 -3.871 11.256 2.073 479 HA PHE 57 HA PHE 57 -2.969 10.706 -0.465 480 HB2 PHE 57 HB2 PHE 57 -3.197 12.994 0.479 481 HB3 PHE 57 HB3 PHE 57 -1.709 12.728 1.387 482 HD1 PHE 57 HD1 PHE 57 -2.100 11.420 -2.009 483 HD2 PHE 57 HD2 PHE 57 -0.605 14.621 0.361 484 HE1 PHE 57 HE1 PHE 57 -0.828 12.228 -3.927 485 HE2 PHE 57 HE2 PHE 57 0.692 15.436 -1.566 486 HZ PHE 57 HZ PHE 57 0.581 14.241 -3.716 487 H LYS 58 H LYS 58 -1.259 10.368 2.540 488 HA LYS 58 HA LYS 58 1.294 9.840 1.529 489 HB2 LYS 58 HB2 LYS 58 0.793 10.445 3.839 490 HB3 LYS 58 HB3 LYS 58 -0.043 8.919 4.064 491 HG2 LYS 58 HG2 LYS 58 1.968 7.692 3.958 492 HG3 LYS 58 HG3 LYS 58 2.870 9.094 3.366 493 HD2 LYS 58 HD2 LYS 58 3.020 8.433 5.892 494 HD3 LYS 58 HD3 LYS 58 2.869 10.133 5.439 495 HE2 LYS 58 HE2 LYS 58 0.462 10.039 5.813 496 HE3 LYS 58 HE3 LYS 58 0.584 8.327 6.236 497 HZ1 LYS 58 HZ1 LYS 58 0.480 9.522 8.244 498 HZ2 LYS 58 HZ2 LYS 58 1.643 10.646 7.743 499 HZ3 LYS 58 HZ3 LYS 58 2.098 9.053 8.082 500 H GLU 59 H GLU 59 -1.389 7.621 2.333 501 HA GLU 59 HA GLU 59 0.105 5.296 1.540 502 HB2 GLU 59 HB2 GLU 59 -2.123 4.149 1.715 503 HB3 GLU 59 HB3 GLU 59 -1.523 4.891 3.178 504 HG2 GLU 59 HG2 GLU 59 -2.998 6.768 2.858 505 HG3 GLU 59 HG3 GLU 59 -3.563 6.088 1.336 506 H ILE 60 H ILE 60 -2.258 7.400 -0.072 507 HA ILE 60 HA ILE 60 -2.598 5.869 -2.425 508 HB ILE 60 HB ILE 60 -2.329 8.875 -2.470 509 HG12 ILE 60 HG12 ILE 60 -4.909 7.416 -1.922 510 HG13 ILE 60 HG13 ILE 60 -3.905 8.075 -0.634 511 HG21 ILE 60 HG21 ILE 60 -4.302 7.290 -4.039 512 HG22 ILE 60 HG22 ILE 60 -2.616 7.311 -4.532 513 HG23 ILE 60 HG23 ILE 60 -3.517 8.823 -4.433 514 HD11 ILE 60 HD11 ILE 60 -5.586 9.679 -1.104 515 HD12 ILE 60 HD12 ILE 60 -5.290 9.574 -2.840 516 HD13 ILE 60 HD13 ILE 60 -4.085 10.303 -1.789 517 H ASN 61 H ASN 61 -0.356 8.475 -1.661 518 HA ASN 61 HA ASN 61 1.149 8.374 -4.029 519 HB2 ASN 61 HB2 ASN 61 0.978 10.250 -2.328 520 HB3 ASN 61 HB3 ASN 61 2.076 9.317 -1.309 521 HD21 ASN 61 HD21 ASN 61 3.587 10.945 -1.372 522 HD22 ASN 61 HD22 ASN 61 4.566 11.244 -2.766 523 H ASN 62 H ASN 62 1.249 6.595 -1.073 524 HA ASN 62 HA ASN 62 3.791 5.370 -1.423 525 HB2 ASN 62 HB2 ASN 62 1.888 5.456 0.582 526 HB3 ASN 62 HB3 ASN 62 1.810 3.790 0.019 527 HD21 ASN 62 HD21 ASN 62 3.470 2.444 0.380 528 HD22 ASN 62 HD22 ASN 62 4.853 2.837 1.344 529 H ALA 63 H ALA 63 0.513 4.046 -1.723 530 HA ALA 63 HA ALA 63 1.145 1.597 -2.829 531 HB1 ALA 63 HB1 ALA 63 -1.326 3.259 -3.295 532 HB2 ALA 63 HB2 ALA 63 -1.056 2.131 -1.964 533 HB3 ALA 63 HB3 ALA 63 -1.177 1.533 -3.618 534 H HIS 64 H HIS 64 0.716 4.683 -4.432 535 HA HIS 64 HA HIS 64 0.569 4.034 -7.079 536 HB2 HIS 64 HB2 HIS 64 0.493 6.318 -6.449 537 HB3 HIS 64 HB3 HIS 64 2.078 6.241 -5.689 538 HD1 HIS 64 HD1 HIS 64 0.504 6.222 -9.136 539 HD2 HIS 64 HD2 HIS 64 4.172 6.900 -7.316 540 HE1 HIS 64 HE1 HIS 64 1.998 7.122 -10.945 541 HE2 HIS 64 HE2 HIS 64 4.141 7.714 -9.767 542 H ALA 65 H ALA 65 3.516 4.098 -5.098 543 HA ALA 65 HA ALA 65 5.104 3.284 -7.403 544 HB1 ALA 65 HB1 ALA 65 5.976 5.029 -5.918 545 HB2 ALA 65 HB2 ALA 65 7.033 3.617 -5.962 546 HB3 ALA 65 HB3 ALA 65 5.971 3.882 -4.579 547 H ILE 66 H ILE 66 3.743 1.987 -4.492 548 HA ILE 66 HA ILE 66 5.482 -0.194 -4.113 549 HB ILE 66 HB ILE 66 2.585 -0.065 -3.286 550 HG12 ILE 66 HG12 ILE 66 3.537 1.910 -2.404 551 HG13 ILE 66 HG13 ILE 66 3.563 0.751 -1.083 552 HG21 ILE 66 HG21 ILE 66 3.550 -2.271 -3.066 553 HG22 ILE 66 HG22 ILE 66 3.290 -1.560 -1.474 554 HG23 ILE 66 HG23 ILE 66 4.911 -1.613 -2.161 555 HD11 ILE 66 HD11 ILE 66 5.902 1.476 -2.831 556 HD12 ILE 66 HD12 ILE 66 5.924 0.346 -1.476 557 HD13 ILE 66 HD13 ILE 66 5.607 2.058 -1.189 558 H LEU 67 H LEU 67 2.231 -0.098 -5.608 559 HA LEU 67 HA LEU 67 2.188 -2.925 -5.929 560 HB2 LEU 67 HB2 LEU 67 0.426 -0.767 -7.053 561 HB3 LEU 67 HB3 LEU 67 0.154 -2.468 -7.349 562 HG LEU 67 HG LEU 67 -1.091 -2.549 -5.520 563 HD11 LEU 67 HD11 LEU 67 1.350 -1.668 -3.993 564 HD12 LEU 67 HD12 LEU 67 0.908 -3.329 -4.389 565 HD13 LEU 67 HD13 LEU 67 -0.104 -2.384 -3.299 566 HD21 LEU 67 HD21 LEU 67 -0.140 0.233 -4.884 567 HD22 LEU 67 HD22 LEU 67 -1.532 -0.581 -4.165 568 HD23 LEU 67 HD23 LEU 67 -1.529 -0.188 -5.887 569 H THR 68 H THR 68 3.242 -0.327 -7.992 570 HA THR 68 HA THR 68 3.410 -2.131 -10.268 571 HB THR 68 HB THR 68 2.638 0.045 -10.867 572 HG1 THR 68 HG1 THR 68 5.134 -0.795 -11.725 573 HG21 THR 68 HG21 THR 68 5.113 1.125 -9.536 574 HG22 THR 68 HG22 THR 68 3.454 1.299 -8.968 575 HG23 THR 68 HG23 THR 68 3.957 2.072 -10.471 576 H ASP 69 H ASP 69 5.198 -1.733 -7.605 577 HA ASP 69 HA ASP 69 7.766 -1.959 -9.015 578 HB2 ASP 69 HB2 ASP 69 7.603 -0.245 -7.197 579 HB3 ASP 69 HB3 ASP 69 7.289 -1.561 -6.058 580 H ALA 70 H ALA 70 9.092 -3.720 -8.689 581 HA ALA 70 HA ALA 70 7.799 -6.175 -8.081 582 HB1 ALA 70 HB1 ALA 70 9.571 -6.044 -9.751 583 HB2 ALA 70 HB2 ALA 70 9.975 -7.202 -8.481 584 HB3 ALA 70 HB3 ALA 70 10.730 -5.607 -8.495 585 H THR 71 H THR 71 10.195 -4.183 -6.374 586 HA THR 71 HA THR 71 10.542 -6.203 -4.341 587 HB THR 71 HB THR 71 11.674 -3.411 -4.535 588 HG1 THR 71 HG1 THR 71 12.732 -4.513 -6.053 589 HG21 THR 71 HG21 THR 71 13.218 -4.131 -2.781 590 HG22 THR 71 HG22 THR 71 12.390 -5.686 -2.682 591 HG23 THR 71 HG23 THR 71 11.546 -4.207 -2.221 592 H LYS 72 H LYS 72 9.194 -2.884 -4.424 593 HA LYS 72 HA LYS 72 8.552 -2.807 -1.688 594 HB2 LYS 72 HB2 LYS 72 7.821 -1.222 -4.068 595 HB3 LYS 72 HB3 LYS 72 6.666 -1.171 -2.747 596 HG2 LYS 72 HG2 LYS 72 7.931 0.522 -2.015 597 HG3 LYS 72 HG3 LYS 72 8.961 -0.763 -1.389 598 HD2 LYS 72 HD2 LYS 72 10.273 0.909 -2.569 599 HD3 LYS 72 HD3 LYS 72 10.331 -0.639 -3.416 600 HE2 LYS 72 HE2 LYS 72 8.879 0.103 -5.094 601 HE3 LYS 72 HE3 LYS 72 8.359 1.500 -4.149 602 HZ1 LYS 72 HZ1 LYS 72 10.560 2.450 -4.417 603 HZ2 LYS 72 HZ2 LYS 72 9.874 2.123 -5.927 604 HZ3 LYS 72 HZ3 LYS 72 11.072 1.096 -5.304 605 H ARG 73 H ARG 73 6.945 -4.291 -4.367 606 HA ARG 73 HA ARG 73 4.562 -4.825 -2.789 607 HB2 ARG 73 HB2 ARG 73 4.163 -4.487 -5.130 608 HB3 ARG 73 HB3 ARG 73 5.395 -5.662 -5.567 609 HG2 ARG 73 HG2 ARG 73 4.045 -7.448 -4.624 610 HG3 ARG 73 HG3 ARG 73 2.805 -6.278 -4.160 611 HD2 ARG 73 HD2 ARG 73 2.218 -7.437 -6.236 612 HD3 ARG 73 HD3 ARG 73 2.449 -5.709 -6.500 613 HE ARG 73 HE ARG 73 4.878 -6.966 -7.009 614 HH11 ARG 73 HH11 ARG 73 1.633 -6.974 -8.322 615 HH12 ARG 73 HH12 ARG 73 2.158 -7.275 -9.947 616 HH21 ARG 73 HH21 ARG 73 5.573 -7.367 -9.142 617 HH22 ARG 73 HH22 ARG 73 4.402 -7.487 -10.415 618 H ASN 74 H ASN 74 7.448 -6.378 -3.891 619 HA ASN 74 HA ASN 74 7.016 -9.004 -3.236 620 HB2 ASN 74 HB2 ASN 74 9.033 -8.163 -4.374 621 HB3 ASN 74 HB3 ASN 74 9.566 -7.434 -2.864 622 HD21 ASN 74 HD21 ASN 74 10.256 -8.751 -1.192 623 HD22 ASN 74 HD22 ASN 74 10.779 -10.369 -1.478 624 H ILE 75 H ILE 75 8.650 -6.651 -1.046 625 HA ILE 75 HA ILE 75 8.531 -8.482 1.128 626 HB ILE 75 HB ILE 75 9.404 -6.852 2.562 627 HG12 ILE 75 HG12 ILE 75 7.765 -5.059 2.121 628 HG13 ILE 75 HG13 ILE 75 9.417 -4.457 2.164 629 HG21 ILE 75 HG21 ILE 75 10.459 -6.197 -0.171 630 HG22 ILE 75 HG22 ILE 75 10.943 -7.563 0.836 631 HG23 ILE 75 HG23 ILE 75 11.278 -5.917 1.366 632 HD11 ILE 75 HD11 ILE 75 7.807 -5.011 -0.314 633 HD12 ILE 75 HD12 ILE 75 9.454 -4.374 -0.264 634 HD13 ILE 75 HD13 ILE 75 8.121 -3.424 0.393 635 H TYR 76 H TYR 76 6.347 -6.051 -0.050 636 HA TYR 76 HA TYR 76 4.686 -5.706 2.154 637 HB2 TYR 76 HB2 TYR 76 4.111 -4.303 0.419 638 HB3 TYR 76 HB3 TYR 76 4.361 -5.540 -0.805 639 HD1 TYR 76 HD1 TYR 76 2.594 -7.168 -1.299 640 HD2 TYR 76 HD2 TYR 76 1.959 -3.990 1.456 641 HE1 TYR 76 HE1 TYR 76 0.173 -7.531 -1.461 642 HE2 TYR 76 HE2 TYR 76 -0.472 -4.341 1.308 643 HH TYR 76 HH TYR 76 -1.852 -7.094 -0.165 644 H ASP 77 H ASP 77 4.830 -8.225 -0.265 645 HA ASP 77 HA ASP 77 2.551 -9.634 0.828 646 HB2 ASP 77 HB2 ASP 77 2.835 -9.638 -1.565 647 HB3 ASP 77 HB3 ASP 77 4.475 -10.269 -1.419 648 H LYS 78 H LYS 78 5.926 -9.535 1.344 649 HA LYS 78 HA LYS 78 6.085 -12.219 2.439 650 HB2 LYS 78 HB2 LYS 78 8.129 -10.024 2.731 651 HB3 LYS 78 HB3 LYS 78 8.376 -11.745 2.962 652 HG2 LYS 78 HG2 LYS 78 7.759 -10.397 0.358 653 HG3 LYS 78 HG3 LYS 78 9.352 -10.932 0.878 654 HD2 LYS 78 HD2 LYS 78 8.806 -12.740 -0.369 655 HD3 LYS 78 HD3 LYS 78 7.982 -13.235 1.113 656 HE2 LYS 78 HE2 LYS 78 5.888 -12.388 0.297 657 HE3 LYS 78 HE3 LYS 78 6.676 -11.673 -1.107 658 HZ1 LYS 78 HZ1 LYS 78 5.506 -13.769 -1.583 659 HZ2 LYS 78 HZ2 LYS 78 6.575 -14.584 -0.557 660 HZ3 LYS 78 HZ3 LYS 78 7.155 -13.837 -1.955 661 H TYR 79 H TYR 79 6.733 -8.980 3.762 662 HA TYR 79 HA TYR 79 5.339 -9.734 6.238 663 HB2 TYR 79 HB2 TYR 79 7.942 -8.201 6.118 664 HB3 TYR 79 HB3 TYR 79 7.013 -8.528 7.572 665 HD1 TYR 79 HD2 TYR 79 6.905 -10.815 8.476 666 HD2 TYR 79 HD1 TYR 79 9.380 -9.859 5.153 667 HE1 TYR 79 HE2 TYR 79 8.132 -12.918 8.794 668 HE2 TYR 79 HE1 TYR 79 10.616 -11.963 5.460 669 HH TYR 79 HH TYR 79 9.497 -14.464 7.479 670 H GLY 80 H GLY 80 6.987 -6.907 4.762 671 HA2 GLY 80 HA2 GLY 80 5.833 -5.128 3.727 672 HA3 GLY 80 HA3 GLY 80 4.371 -5.595 4.585 673 H SER 81 H SER 81 6.637 -5.599 6.941 674 HA SER 81 HA SER 81 5.713 -2.992 7.813 675 HB2 SER 81 HB2 SER 81 5.590 -4.914 9.359 676 HB3 SER 81 HB3 SER 81 7.343 -5.051 9.316 677 HG SER 81 HG SER 81 6.285 -2.559 9.980 678 H LEU 82 H LEU 82 8.928 -4.554 8.055 679 HA LEU 82 HA LEU 82 10.178 -1.975 8.205 680 HB2 LEU 82 HB2 LEU 82 11.176 -3.658 9.524 681 HB3 LEU 82 HB3 LEU 82 11.240 -4.786 8.185 682 HG LEU 82 HG LEU 82 12.997 -3.464 7.120 683 HD11 LEU 82 HD11 LEU 82 14.061 -1.598 8.288 684 HD12 LEU 82 HD12 LEU 82 12.822 -1.675 9.543 685 HD13 LEU 82 HD13 LEU 82 12.380 -1.242 7.891 686 HD21 LEU 82 HD21 LEU 82 13.664 -5.221 8.627 687 HD22 LEU 82 HD22 LEU 82 13.542 -4.126 10.004 688 HD23 LEU 82 HD23 LEU 82 14.774 -3.858 8.772 689 H GLY 83 H GLY 83 10.570 -4.703 5.937 690 HA2 GLY 83 HA2 GLY 83 12.387 -3.538 4.228 691 HA3 GLY 83 HA3 GLY 83 11.239 -4.772 3.745 692 H LEU 84 H LEU 84 8.936 -3.063 4.284 693 HA LEU 84 HA LEU 84 8.783 -1.775 1.739 694 HB2 LEU 84 HB2 LEU 84 6.844 -2.851 2.824 695 HB3 LEU 84 HB3 LEU 84 6.893 -1.644 4.092 696 HG LEU 84 HG LEU 84 6.363 0.108 2.441 697 HD11 LEU 84 HD11 LEU 84 7.320 -0.840 0.456 698 HD12 LEU 84 HD12 LEU 84 5.593 -0.598 0.196 699 HD13 LEU 84 HD13 LEU 84 6.215 -2.212 0.528 700 HD21 LEU 84 HD21 LEU 84 4.042 -0.546 2.048 701 HD22 LEU 84 HD22 LEU 84 4.559 -0.981 3.676 702 HD23 LEU 84 HD23 LEU 84 4.443 -2.220 2.427 703 H TYR 85 H TYR 85 8.672 -0.577 5.076 704 HA TYR 85 HA TYR 85 8.541 2.150 4.425 705 HB2 TYR 85 HB2 TYR 85 8.034 2.170 6.602 706 HB3 TYR 85 HB3 TYR 85 8.610 0.522 6.780 707 HD1 TYR 85 HD2 TYR 85 10.971 0.114 7.461 708 HD2 TYR 85 HD1 TYR 85 9.293 4.025 7.413 709 HE1 TYR 85 HE2 TYR 85 12.798 0.911 8.896 710 HE2 TYR 85 HE1 TYR 85 11.125 4.837 8.841 711 HH TYR 85 HH TYR 85 13.941 3.052 9.413 712 H VAL 86 H VAL 86 11.279 0.000 4.917 713 HA VAL 86 HA VAL 86 13.173 2.146 5.055 714 HB VAL 86 HB VAL 86 13.712 0.177 6.281 715 HG11 VAL 86 HG11 VAL 86 12.408 -1.403 4.928 716 HG12 VAL 86 HG12 VAL 86 14.021 -1.989 5.319 717 HG13 VAL 86 HG13 VAL 86 13.679 -1.368 3.704 718 HG21 VAL 86 HG21 VAL 86 15.674 1.209 5.491 719 HG22 VAL 86 HG22 VAL 86 15.468 0.527 3.878 720 HG23 VAL 86 HG23 VAL 86 15.885 -0.526 5.233 721 H ALA 87 H ALA 87 11.970 0.001 2.525 722 HA ALA 87 HA ALA 87 14.072 0.571 0.685 723 HB1 ALA 87 HB1 ALA 87 11.306 -0.432 0.082 724 HB2 ALA 87 HB2 ALA 87 12.683 -1.437 0.531 725 HB3 ALA 87 HB3 ALA 87 12.720 -0.510 -0.967 726 H GLU 88 H GLU 88 11.170 2.212 1.571 727 HA GLU 88 HA GLU 88 11.074 3.802 -0.828 728 HB2 GLU 88 HB2 GLU 88 9.633 4.097 1.806 729 HB3 GLU 88 HB3 GLU 88 9.310 5.054 0.367 730 HG2 GLU 88 HG2 GLU 88 8.748 2.949 -0.830 731 HG3 GLU 88 HG3 GLU 88 8.922 2.091 0.702 732 H GLN 89 H GLN 89 11.832 4.463 2.596 733 HA GLN 89 HA GLN 89 12.709 7.117 1.994 734 HB2 GLN 89 HB2 GLN 89 12.906 5.429 4.479 735 HB3 GLN 89 HB3 GLN 89 13.552 7.060 4.385 736 HG2 GLN 89 HG2 GLN 89 11.249 7.823 3.740 737 HG3 GLN 89 HG3 GLN 89 10.686 6.200 4.143 738 HE21 GLN 89 HE21 GLN 89 10.650 5.552 6.286 739 HE22 GLN 89 HE22 GLN 89 10.819 6.668 7.595 740 H PHE 90 H PHE 90 14.367 4.070 2.739 741 HA PHE 90 HA PHE 90 16.943 5.393 2.493 742 HB2 PHE 90 HB2 PHE 90 16.213 2.548 3.223 743 HB3 PHE 90 HB3 PHE 90 17.871 3.148 3.115 744 HD1 PHE 90 HD1 PHE 90 14.675 3.492 4.935 745 HD2 PHE 90 HD2 PHE 90 18.839 4.366 4.884 746 HE1 PHE 90 HE1 PHE 90 14.542 4.252 7.271 747 HE2 PHE 90 HE2 PHE 90 18.715 5.126 7.218 748 HZ PHE 90 HZ PHE 90 16.567 5.027 8.428 749 H GLY 91 H GLY 91 14.944 3.061 0.732 750 HA2 GLY 91 HA2 GLY 91 15.205 3.085 -1.706 751 HA3 GLY 91 HA3 GLY 91 16.942 3.204 -1.445 752 H GLU 92 H GLU 92 15.074 1.179 -2.760 753 HA GLU 92 HA GLU 92 14.820 -1.127 -1.187 754 HB2 GLU 92 HB2 GLU 92 15.223 -1.217 -4.171 755 HB3 GLU 92 HB3 GLU 92 14.213 -2.246 -3.170 756 HG2 GLU 92 HG2 GLU 92 12.562 -0.600 -2.947 757 HG3 GLU 92 HG3 GLU 92 13.644 0.669 -3.526 758 H GLU 93 H GLU 93 17.328 -0.121 -3.453 759 HA GLU 93 HA GLU 93 18.850 -2.527 -3.245 760 HB2 GLU 93 HB2 GLU 93 20.591 -1.298 -4.445 761 HB3 GLU 93 HB3 GLU 93 19.021 -1.037 -5.191 762 HG2 GLU 93 HG2 GLU 93 18.857 1.135 -4.070 763 HG3 GLU 93 HG3 GLU 93 20.437 0.871 -3.341 764 H ASN 94 H ASN 94 18.504 0.216 -1.276 765 HA ASN 94 HA ASN 94 21.164 0.076 -0.134 766 HB2 ASN 94 HB2 ASN 94 18.817 1.908 0.232 767 HB3 ASN 94 HB3 ASN 94 20.178 1.938 1.344 768 HD21 ASN 94 HD21 ASN 94 19.177 3.940 -0.569 769 HD22 ASN 94 HD22 ASN 94 20.529 4.325 -1.582 770 H VAL 95 H VAL 95 17.867 -0.610 0.772 771 HA VAL 95 HA VAL 95 17.844 -0.938 3.437 772 HB VAL 95 HB VAL 95 16.115 -2.536 3.278 773 HG11 VAL 95 HG11 VAL 95 14.629 -1.607 1.651 774 HG12 VAL 95 HG12 VAL 95 15.983 -0.978 0.715 775 HG13 VAL 95 HG13 VAL 95 15.631 -0.314 2.305 776 HG21 VAL 95 HG21 VAL 95 17.040 -3.192 0.484 777 HG22 VAL 95 HG22 VAL 95 15.648 -3.888 1.318 778 HG23 VAL 95 HG23 VAL 95 17.281 -4.203 1.909 779 H ASN 96 H ASN 96 19.479 -3.052 1.213 780 HA ASN 96 HA ASN 96 19.926 -5.334 2.696 781 HB2 ASN 96 HB2 ASN 96 20.500 -5.084 0.348 782 HB3 ASN 96 HB3 ASN 96 21.749 -3.911 0.748 783 HD21 ASN 96 HD21 ASN 96 20.844 -7.254 0.777 784 HD22 ASN 96 HD22 ASN 96 22.416 -7.889 1.114 785 H THR 97 H THR 97 21.199 -2.169 3.186 786 HA THR 97 HA THR 97 23.513 -2.827 4.670 787 HB THR 97 HB THR 97 23.150 -0.591 3.708 788 HG1 THR 97 HG1 THR 97 24.562 -0.652 5.462 789 HG21 THR 97 HG21 THR 97 21.599 0.992 4.825 790 HG22 THR 97 HG22 THR 97 20.952 -0.354 5.766 791 HG23 THR 97 HG23 THR 97 20.767 -0.336 4.009 792 H TYR 98 H TYR 98 20.167 -2.264 5.566 793 HA TYR 98 HA TYR 98 20.740 -2.600 8.399 794 HB2 TYR 98 HB2 TYR 98 19.122 -0.883 7.541 795 HB3 TYR 98 HB3 TYR 98 18.087 -2.198 6.985 796 HD1 TYR 98 HD1 TYR 98 16.981 -3.675 8.652 797 HD2 TYR 98 HD2 TYR 98 19.150 -0.210 9.834 798 HE1 TYR 98 HE1 TYR 98 15.889 -3.749 10.851 799 HE2 TYR 98 HE2 TYR 98 18.059 -0.275 12.037 800 HH TYR 98 HH TYR 98 16.350 -2.954 13.160 801 H PHE 99 H PHE 99 19.698 -4.347 5.665 802 HA PHE 99 HA PHE 99 18.622 -6.574 7.188 803 HB2 PHE 99 HB2 PHE 99 18.843 -5.922 4.262 804 HB3 PHE 99 HB3 PHE 99 18.435 -7.547 4.784 805 HD1 PHE 99 HD1 PHE 99 16.334 -8.022 5.846 806 HD2 PHE 99 HD2 PHE 99 17.294 -4.098 4.535 807 HE1 PHE 99 HE1 PHE 99 13.957 -7.381 6.039 808 HE2 PHE 99 HE2 PHE 99 14.936 -3.442 4.724 809 HZ PHE 99 HZ PHE 99 13.249 -5.081 5.474 810 H VAL 100 H VAL 100 19.469 -8.661 5.578 811 HA VAL 100 HA VAL 100 21.835 -9.474 6.735 812 HB VAL 100 HB VAL 100 20.351 -11.131 5.929 813 HG11 VAL 100 HG11 VAL 100 20.710 -9.928 3.190 814 HG12 VAL 100 HG12 VAL 100 19.246 -9.915 4.169 815 HG13 VAL 100 HG13 VAL 100 19.861 -11.437 3.523 816 HG21 VAL 100 HG21 VAL 100 21.786 -12.534 4.522 817 HG22 VAL 100 HG22 VAL 100 22.693 -11.770 5.826 818 HG23 VAL 100 HG23 VAL 100 22.812 -11.140 4.184 Start of MODEL 17 1 H1 MET -4 H1 MET -4 -15.907 -20.825 9.638 2 H2 MET -4 H2 MET -4 -16.003 -20.401 8.006 3 H3 MET -4 H3 MET -4 -14.523 -20.882 8.668 4 HA MET -4 HA MET -4 -15.518 -22.630 7.334 5 HB2 MET -4 HB2 MET -4 -15.436 -23.197 10.305 6 HB3 MET -4 HB3 MET -4 -15.441 -24.427 9.052 7 HG2 MET -4 HG2 MET -4 -13.210 -24.226 9.704 8 HG3 MET -4 HG3 MET -4 -13.320 -23.346 8.182 9 HE1 MET -4 HE1 MET -4 -12.901 -23.140 12.043 10 HE2 MET -4 HE2 MET -4 -14.424 -22.274 11.843 11 HE3 MET -4 HE3 MET -4 -12.977 -21.406 12.354 12 H ARG -3 H ARG -3 -17.475 -22.615 6.418 13 HA ARG -3 HA ARG -3 -19.891 -22.457 7.978 14 HB2 ARG -3 HB2 ARG -3 -19.357 -22.823 5.031 15 HB3 ARG -3 HB3 ARG -3 -20.977 -22.782 5.714 16 HG2 ARG -3 HG2 ARG -3 -20.701 -20.531 6.438 17 HG3 ARG -3 HG3 ARG -3 -18.981 -20.557 6.044 18 HD2 ARG -3 HD2 ARG -3 -21.150 -20.954 3.997 19 HD3 ARG -3 HD3 ARG -3 -20.471 -19.376 4.387 20 HE ARG -3 HE ARG -3 -18.310 -20.235 3.620 21 HH11 ARG -3 HH11 ARG -3 -21.170 -22.025 2.661 22 HH12 ARG -3 HH12 ARG -3 -20.438 -22.665 1.227 23 HH21 ARG -3 HH21 ARG -3 -17.352 -21.070 1.737 24 HH22 ARG -3 HH22 ARG -3 -18.259 -22.126 0.701 25 H SER -2 H SER -2 -18.161 -24.927 6.141 26 HA SER -2 HA SER -2 -20.106 -26.935 7.009 27 HB2 SER -2 HB2 SER -2 -17.814 -27.187 5.049 28 HB3 SER -2 HB3 SER -2 -19.042 -28.409 5.371 29 HG SER -2 HG SER -2 -20.484 -26.422 4.780 30 HA PRO -1 HA PRO -1 -17.071 -27.852 10.224 31 HB2 PRO -1 HB2 PRO -1 -18.648 -29.616 11.565 32 HB3 PRO -1 HB3 PRO -1 -18.790 -27.865 11.744 33 HG2 PRO -1 HG2 PRO -1 -20.438 -29.742 10.101 34 HG3 PRO -1 HG3 PRO -1 -20.958 -28.365 11.089 35 HD2 PRO -1 HD2 PRO -1 -20.712 -28.231 8.392 36 HD3 PRO -1 HD3 PRO -1 -20.436 -26.833 9.451 37 H GLY 0 H GLY 0 -15.475 -29.266 10.013 38 HA2 GLY 0 HA2 GLY 0 -14.600 -31.477 9.941 39 HA3 GLY 0 HA3 GLY 0 -16.073 -32.004 9.140 40 H MET 1 H MET 1 -15.572 -29.320 7.552 41 HA MET 1 HA MET 1 -13.996 -30.662 5.475 42 HB2 MET 1 HB2 MET 1 -15.943 -28.359 5.356 43 HB3 MET 1 HB3 MET 1 -14.945 -28.841 3.993 44 HG2 MET 1 HG2 MET 1 -16.963 -30.591 5.379 45 HG3 MET 1 HG3 MET 1 -17.217 -29.738 3.857 46 HE1 MET 1 HE1 MET 1 -17.795 -32.784 4.029 47 HE2 MET 1 HE2 MET 1 -16.974 -33.412 2.602 48 HE3 MET 1 HE3 MET 1 -17.873 -31.899 2.507 49 H ALA 2 H ALA 2 -11.898 -30.182 5.622 50 HA ALA 2 HA ALA 2 -11.128 -27.406 6.187 51 HB1 ALA 2 HB1 ALA 2 -8.877 -28.281 6.565 52 HB2 ALA 2 HB2 ALA 2 -9.422 -29.898 6.122 53 HB3 ALA 2 HB3 ALA 2 -10.057 -29.121 7.572 54 H ASP 3 H ASP 3 -11.860 -26.764 4.074 55 HA ASP 3 HA ASP 3 -10.457 -27.811 1.761 56 HB2 ASP 3 HB2 ASP 3 -12.861 -27.267 1.615 57 HB3 ASP 3 HB3 ASP 3 -12.498 -25.585 1.986 58 H GLN 4 H GLN 4 -8.947 -26.678 0.543 59 HA GLN 4 HA GLN 4 -7.331 -24.902 2.060 60 HB2 GLN 4 HB2 GLN 4 -5.930 -24.779 -0.006 61 HB3 GLN 4 HB3 GLN 4 -6.226 -26.407 0.577 62 HG2 GLN 4 HG2 GLN 4 -7.890 -26.755 -1.140 63 HG3 GLN 4 HG3 GLN 4 -7.703 -25.091 -1.689 64 HE21 GLN 4 HE21 GLN 4 -7.332 -27.584 -3.142 65 HE22 GLN 4 HE22 GLN 4 -5.706 -27.556 -3.733 66 H ARG 5 H ARG 5 -8.225 -22.996 2.520 67 HA ARG 5 HA ARG 5 -8.919 -21.259 0.248 68 HB2 ARG 5 HB2 ARG 5 -10.261 -21.385 2.952 69 HB3 ARG 5 HB3 ARG 5 -10.565 -20.139 1.750 70 HG2 ARG 5 HG2 ARG 5 -11.008 -23.075 1.279 71 HG3 ARG 5 HG3 ARG 5 -12.264 -21.949 1.802 72 HD2 ARG 5 HD2 ARG 5 -12.080 -20.693 -0.217 73 HD3 ARG 5 HD3 ARG 5 -10.635 -21.575 -0.706 74 HE ARG 5 HE ARG 5 -12.423 -23.554 -0.540 75 HH11 ARG 5 HH11 ARG 5 -12.586 -20.403 -2.072 76 HH12 ARG 5 HH12 ARG 5 -13.675 -20.923 -3.318 77 HH21 ARG 5 HH21 ARG 5 -13.872 -24.238 -2.166 78 HH22 ARG 5 HH22 ARG 5 -14.421 -23.106 -3.362 79 H GLN 6 H GLN 6 -7.327 -21.665 3.272 80 HA GLN 6 HA GLN 6 -5.866 -20.434 4.458 81 HB2 GLN 6 HB2 GLN 6 -5.278 -19.825 1.625 82 HB3 GLN 6 HB3 GLN 6 -4.360 -18.990 2.868 83 HG2 GLN 6 HG2 GLN 6 -3.803 -21.241 3.819 84 HG3 GLN 6 HG3 GLN 6 -4.555 -21.953 2.393 85 HE21 GLN 6 HE21 GLN 6 -1.801 -22.067 3.357 86 HE22 GLN 6 HE22 GLN 6 -0.820 -21.478 2.061 87 H ARG 7 H ARG 7 -4.770 -17.901 4.205 88 HA ARG 7 HA ARG 7 -7.091 -16.259 4.807 89 HB2 ARG 7 HB2 ARG 7 -5.510 -16.340 6.585 90 HB3 ARG 7 HB3 ARG 7 -4.161 -16.068 5.491 91 HG2 ARG 7 HG2 ARG 7 -4.567 -14.073 6.711 92 HG3 ARG 7 HG3 ARG 7 -5.048 -13.825 5.033 93 HD2 ARG 7 HD2 ARG 7 -7.391 -14.284 5.681 94 HD3 ARG 7 HD3 ARG 7 -6.875 -14.399 7.362 95 HE ARG 7 HE ARG 7 -6.058 -11.927 6.266 96 HH11 ARG 7 HH11 ARG 7 -8.904 -13.626 7.387 97 HH12 ARG 7 HH12 ARG 7 -9.773 -12.180 7.788 98 HH21 ARG 7 HH21 ARG 7 -7.199 -10.004 6.798 99 HH22 ARG 7 HH22 ARG 7 -8.807 -10.117 7.438 100 H SER 8 H SER 8 -3.899 -15.800 3.278 101 HA SER 8 HA SER 8 -4.535 -13.266 2.267 102 HB2 SER 8 HB2 SER 8 -2.252 -14.004 2.746 103 HB3 SER 8 HB3 SER 8 -2.332 -15.138 1.402 104 HG SER 8 HG SER 8 -1.797 -12.477 1.394 105 H LEU 9 H LEU 9 -4.680 -16.458 0.726 106 HA LEU 9 HA LEU 9 -4.913 -15.444 -1.905 107 HB2 LEU 9 HB2 LEU 9 -5.279 -17.647 -2.614 108 HB3 LEU 9 HB3 LEU 9 -4.216 -17.780 -1.230 109 HG LEU 9 HG LEU 9 -6.477 -18.202 0.062 110 HD11 LEU 9 HD11 LEU 9 -7.127 -19.088 -2.749 111 HD12 LEU 9 HD12 LEU 9 -7.951 -17.824 -1.834 112 HD13 LEU 9 HD13 LEU 9 -8.048 -19.503 -1.303 113 HD21 LEU 9 HD21 LEU 9 -6.085 -20.564 -0.162 114 HD22 LEU 9 HD22 LEU 9 -4.534 -19.722 -0.157 115 HD23 LEU 9 HD23 LEU 9 -5.211 -20.314 -1.675 116 H SER 10 H SER 10 -7.239 -16.091 0.602 117 HA SER 10 HA SER 10 -9.476 -15.539 -1.173 118 HB2 SER 10 HB2 SER 10 -9.403 -16.148 1.777 119 HB3 SER 10 HB3 SER 10 -10.870 -15.953 0.828 120 HG SER 10 HG SER 10 -8.931 -18.012 0.724 121 H THR 11 H THR 11 -8.519 -14.310 2.017 122 HA THR 11 HA THR 11 -9.308 -11.609 1.159 123 HB THR 11 HB THR 11 -9.386 -11.160 3.671 124 HG1 THR 11 HG1 THR 11 -8.214 -13.137 4.191 125 HG21 THR 11 HG21 THR 11 -11.422 -11.427 2.340 126 HG22 THR 11 HG22 THR 11 -11.620 -12.144 3.939 127 HG23 THR 11 HG23 THR 11 -11.331 -13.176 2.538 128 H SER 12 H SER 12 -7.469 -10.708 0.409 129 HA SER 12 HA SER 12 -4.901 -11.591 1.177 130 HB2 SER 12 HB2 SER 12 -5.701 -9.104 -0.339 131 HB3 SER 12 HB3 SER 12 -4.079 -9.789 -0.280 132 HG SER 12 HG SER 12 -5.359 -11.799 -1.039 133 H GLY 13 H GLY 13 -6.984 -9.208 2.507 134 HA2 GLY 13 HA2 GLY 13 -6.733 -7.732 4.249 135 HA3 GLY 13 HA3 GLY 13 -5.286 -8.633 4.685 136 H GLU 14 H GLU 14 -5.745 -7.148 1.570 137 HA GLU 14 HA GLU 14 -3.151 -6.051 1.661 138 HB2 GLU 14 HB2 GLU 14 -3.680 -5.211 -0.562 139 HB3 GLU 14 HB3 GLU 14 -4.169 -6.887 -0.389 140 HG2 GLU 14 HG2 GLU 14 -6.035 -4.537 -0.163 141 HG3 GLU 14 HG3 GLU 14 -5.764 -5.475 -1.620 142 H SER 15 H SER 15 -2.538 -3.881 1.482 143 HA SER 15 HA SER 15 -4.389 -2.067 2.850 144 HB2 SER 15 HB2 SER 15 -2.172 -0.910 3.520 145 HB3 SER 15 HB3 SER 15 -2.588 -2.432 4.312 146 HG SER 15 HG SER 15 -0.782 -3.180 3.571 147 H LEU 16 H LEU 16 -1.539 -1.883 0.711 148 HA LEU 16 HA LEU 16 -1.927 0.727 -0.172 149 HB2 LEU 16 HB2 LEU 16 -0.624 -1.604 -1.566 150 HB3 LEU 16 HB3 LEU 16 -0.579 0.026 -2.187 151 HG LEU 16 HG LEU 16 1.494 -0.421 -1.139 152 HD11 LEU 16 HD11 LEU 16 0.656 1.828 -0.794 153 HD12 LEU 16 HD12 LEU 16 1.603 1.298 0.594 154 HD13 LEU 16 HD13 LEU 16 -0.157 1.313 0.685 155 HD21 LEU 16 HD21 LEU 16 0.027 -1.123 1.388 156 HD22 LEU 16 HD22 LEU 16 1.772 -1.127 1.138 157 HD23 LEU 16 HD23 LEU 16 0.757 -2.288 0.283 158 H TYR 17 H TYR 17 -2.818 -2.275 -1.826 159 HA TYR 17 HA TYR 17 -4.143 -1.217 -4.005 160 HB2 TYR 17 HB2 TYR 17 -4.831 -3.718 -2.446 161 HB3 TYR 17 HB3 TYR 17 -5.440 -3.340 -4.052 162 HD1 TYR 17 HD2 TYR 17 -3.844 -3.263 -5.977 163 HD2 TYR 17 HD1 TYR 17 -2.672 -4.664 -2.139 164 HE1 TYR 17 HE2 TYR 17 -1.876 -4.341 -6.977 165 HE2 TYR 17 HE1 TYR 17 -0.701 -5.748 -3.127 166 HH TYR 17 HH TYR 17 0.396 -5.073 -6.227 167 H HIS 18 H HIS 18 -5.273 -1.613 -0.710 168 HA HIS 18 HA HIS 18 -8.031 -1.199 -1.296 169 HB2 HIS 18 HB2 HIS 18 -7.137 -2.461 0.688 170 HB3 HIS 18 HB3 HIS 18 -6.660 -0.915 1.380 171 HD1 HIS 18 HD1 HIS 18 -8.401 0.295 2.708 172 HD2 HIS 18 HD2 HIS 18 -10.015 -2.700 0.325 173 HE1 HIS 18 HE1 HIS 18 -10.827 0.160 3.349 174 HE2 HIS 18 HE2 HIS 18 -11.749 -1.755 1.996 175 H VAL 19 H VAL 19 -5.356 0.908 -0.473 176 HA VAL 19 HA VAL 19 -6.950 3.159 0.284 177 HB VAL 19 HB VAL 19 -5.025 4.262 0.680 178 HG11 VAL 19 HG11 VAL 19 -4.053 1.475 0.192 179 HG12 VAL 19 HG12 VAL 19 -4.351 2.300 1.723 180 HG13 VAL 19 HG13 VAL 19 -2.961 2.739 0.731 181 HG21 VAL 19 HG21 VAL 19 -4.484 4.986 -1.474 182 HG22 VAL 19 HG22 VAL 19 -4.134 3.348 -2.042 183 HG23 VAL 19 HG23 VAL 19 -3.022 4.157 -0.928 184 H LEU 20 H LEU 20 -5.736 1.858 -2.684 185 HA LEU 20 HA LEU 20 -6.432 4.230 -4.208 186 HB2 LEU 20 HB2 LEU 20 -5.035 1.658 -4.833 187 HB3 LEU 20 HB3 LEU 20 -5.590 2.703 -6.129 188 HG LEU 20 HG LEU 20 -3.579 3.396 -3.987 189 HD11 LEU 20 HD11 LEU 20 -2.034 3.599 -5.886 190 HD12 LEU 20 HD12 LEU 20 -3.306 3.017 -6.962 191 HD13 LEU 20 HD13 LEU 20 -2.664 1.960 -5.705 192 HD21 LEU 20 HD21 LEU 20 -3.313 5.499 -5.294 193 HD22 LEU 20 HD22 LEU 20 -4.845 5.361 -4.439 194 HD23 LEU 20 HD23 LEU 20 -4.780 5.074 -6.181 195 H GLY 21 H GLY 21 -7.876 1.366 -3.228 196 HA2 GLY 21 HA2 GLY 21 -10.093 0.754 -3.512 197 HA3 GLY 21 HA3 GLY 21 -10.252 2.000 -4.740 198 H LEU 22 H LEU 22 -7.587 -0.004 -5.271 199 HA LEU 22 HA LEU 22 -9.120 -1.553 -7.244 200 HB2 LEU 22 HB2 LEU 22 -6.850 -1.812 -8.381 201 HB3 LEU 22 HB3 LEU 22 -7.638 -0.257 -8.496 202 HG LEU 22 HG LEU 22 -6.148 0.399 -6.480 203 HD11 LEU 22 HD11 LEU 22 -4.013 -0.778 -6.391 204 HD12 LEU 22 HD12 LEU 22 -4.620 -1.969 -7.544 205 HD13 LEU 22 HD13 LEU 22 -5.354 -1.835 -5.945 206 HD21 LEU 22 HD21 LEU 22 -4.366 1.062 -7.979 207 HD22 LEU 22 HD22 LEU 22 -5.940 1.305 -8.735 208 HD23 LEU 22 HD23 LEU 22 -4.940 -0.075 -9.198 209 H ASP 23 H ASP 23 -8.109 -3.700 -7.771 210 HA ASP 23 HA ASP 23 -7.387 -4.994 -5.246 211 HB2 ASP 23 HB2 ASP 23 -8.566 -6.119 -7.792 212 HB3 ASP 23 HB3 ASP 23 -8.070 -7.107 -6.422 213 H LYS 24 H LYS 24 -6.160 -7.205 -5.893 214 HA LYS 24 HA LYS 24 -3.537 -6.308 -6.566 215 HB2 LYS 24 HB2 LYS 24 -2.903 -8.643 -6.115 216 HB3 LYS 24 HB3 LYS 24 -3.910 -7.983 -4.834 217 HG2 LYS 24 HG2 LYS 24 -5.661 -9.151 -6.686 218 HG3 LYS 24 HG3 LYS 24 -4.338 -10.287 -6.470 219 HD2 LYS 24 HD2 LYS 24 -6.101 -10.752 -4.875 220 HD3 LYS 24 HD3 LYS 24 -4.663 -10.173 -4.032 221 HE2 LYS 24 HE2 LYS 24 -5.618 -7.982 -3.795 222 HE3 LYS 24 HE3 LYS 24 -6.998 -8.429 -4.802 223 HZ1 LYS 24 HZ1 LYS 24 -7.244 -8.430 -2.254 224 HZ2 LYS 24 HZ2 LYS 24 -6.418 -9.911 -2.315 225 HZ3 LYS 24 HZ3 LYS 24 -7.890 -9.726 -3.132 226 H ASN 25 H ASN 25 -5.930 -6.704 -8.566 227 HA ASN 25 HA ASN 25 -4.475 -8.282 -10.567 228 HB2 ASN 25 HB2 ASN 25 -7.421 -7.657 -10.289 229 HB3 ASN 25 HB3 ASN 25 -6.724 -8.406 -11.721 230 HD21 ASN 25 HD21 ASN 25 -7.556 -8.834 -8.370 231 HD22 ASN 25 HD22 ASN 25 -7.359 -10.548 -8.342 232 H ALA 26 H ALA 26 -4.689 -5.264 -9.609 233 HA ALA 26 HA ALA 26 -5.245 -3.891 -12.071 234 HB1 ALA 26 HB1 ALA 26 -5.611 -2.695 -10.019 235 HB2 ALA 26 HB2 ALA 26 -4.272 -1.920 -10.883 236 HB3 ALA 26 HB3 ALA 26 -3.945 -2.980 -9.507 237 H THR 27 H THR 27 -3.657 -2.609 -13.199 238 HA THR 27 HA THR 27 -0.964 -3.806 -13.119 239 HB THR 27 HB THR 27 -2.234 -4.237 -15.238 240 HG1 THR 27 HG1 THR 27 0.027 -4.183 -15.342 241 HG21 THR 27 HG21 THR 27 -2.028 -1.241 -15.580 242 HG22 THR 27 HG22 THR 27 -3.515 -2.160 -15.342 243 HG23 THR 27 HG23 THR 27 -2.567 -2.383 -16.812 244 H SER 28 H SER 28 0.660 -2.096 -14.174 245 HA SER 28 HA SER 28 1.051 -0.077 -12.369 246 HB2 SER 28 HB2 SER 28 1.865 0.028 -15.280 247 HB3 SER 28 HB3 SER 28 2.638 0.873 -13.937 248 HG SER 28 HG SER 28 3.759 -0.850 -13.573 249 H ASP 29 H ASP 29 -0.772 0.034 -15.353 250 HA ASP 29 HA ASP 29 -1.210 2.805 -15.434 251 HB2 ASP 29 HB2 ASP 29 -1.568 1.246 -17.347 252 HB3 ASP 29 HB3 ASP 29 -3.026 0.666 -16.548 253 H ASP 30 H ASP 30 -3.177 0.176 -13.987 254 HA ASP 30 HA ASP 30 -5.377 1.838 -13.325 255 HB2 ASP 30 HB2 ASP 30 -4.400 -0.795 -12.234 256 HB3 ASP 30 HB3 ASP 30 -5.883 -0.030 -11.670 257 H ILE 31 H ILE 31 -2.487 0.797 -11.670 258 HA ILE 31 HA ILE 31 -3.077 1.794 -9.113 259 HB ILE 31 HB ILE 31 -0.445 1.201 -10.460 260 HG12 ILE 31 HG12 ILE 31 -1.711 -0.491 -8.350 261 HG13 ILE 31 HG13 ILE 31 -2.382 -0.546 -9.976 262 HG21 ILE 31 HG21 ILE 31 -1.011 1.619 -7.525 263 HG22 ILE 31 HG22 ILE 31 -0.104 2.713 -8.569 264 HG23 ILE 31 HG23 ILE 31 0.526 1.103 -8.220 265 HD11 ILE 31 HD11 ILE 31 0.482 -1.109 -9.259 266 HD12 ILE 31 HD12 ILE 31 -0.245 -1.230 -10.863 267 HD13 ILE 31 HD13 ILE 31 -0.762 -2.321 -9.575 268 H LYS 32 H LYS 32 -1.340 3.216 -11.850 269 HA LYS 32 HA LYS 32 -0.586 5.543 -10.384 270 HB2 LYS 32 HB2 LYS 32 -0.495 4.898 -13.326 271 HB3 LYS 32 HB3 LYS 32 0.122 6.397 -12.639 272 HG2 LYS 32 HG2 LYS 32 1.675 5.126 -11.250 273 HG3 LYS 32 HG3 LYS 32 1.058 3.624 -11.934 274 HD2 LYS 32 HD2 LYS 32 1.828 4.305 -14.146 275 HD3 LYS 32 HD3 LYS 32 2.414 5.831 -13.478 276 HE2 LYS 32 HE2 LYS 32 3.947 4.588 -12.019 277 HE3 LYS 32 HE3 LYS 32 3.378 3.072 -12.720 278 HZ1 LYS 32 HZ1 LYS 32 4.751 5.258 -14.195 279 HZ2 LYS 32 HZ2 LYS 32 4.213 3.805 -14.868 280 HZ3 LYS 32 HZ3 LYS 32 5.453 3.794 -13.722 281 H LYS 33 H LYS 33 -3.157 4.864 -12.762 282 HA LYS 33 HA LYS 33 -4.224 7.456 -12.815 283 HB2 LYS 33 HB2 LYS 33 -5.694 4.833 -13.092 284 HB3 LYS 33 HB3 LYS 33 -6.305 6.408 -13.582 285 HG2 LYS 33 HG2 LYS 33 -4.323 6.554 -15.128 286 HG3 LYS 33 HG3 LYS 33 -4.020 4.861 -14.761 287 HD2 LYS 33 HD2 LYS 33 -6.564 5.972 -15.945 288 HD3 LYS 33 HD3 LYS 33 -5.308 5.106 -16.829 289 HE2 LYS 33 HE2 LYS 33 -5.699 3.131 -15.419 290 HE3 LYS 33 HE3 LYS 33 -6.977 4.001 -14.573 291 HZ1 LYS 33 HZ1 LYS 33 -6.955 3.292 -17.453 292 HZ2 LYS 33 HZ2 LYS 33 -8.163 4.190 -16.685 293 HZ3 LYS 33 HZ3 LYS 33 -7.907 2.577 -16.254 294 H SER 34 H SER 34 -5.108 4.666 -10.773 295 HA SER 34 HA SER 34 -7.044 5.947 -9.224 296 HB2 SER 34 HB2 SER 34 -5.166 3.730 -8.396 297 HB3 SER 34 HB3 SER 34 -6.650 4.190 -7.556 298 HG SER 34 HG SER 34 -6.357 3.051 -10.134 299 H TYR 35 H TYR 35 -3.532 5.854 -8.881 300 HA TYR 35 HA TYR 35 -3.312 7.196 -6.457 301 HB2 TYR 35 HB2 TYR 35 -1.276 6.417 -7.319 302 HB3 TYR 35 HB3 TYR 35 -1.561 7.137 -8.901 303 HD1 TYR 35 HD1 TYR 35 -1.049 8.177 -5.324 304 HD2 TYR 35 HD2 TYR 35 -0.463 9.087 -9.445 305 HE1 TYR 35 HE1 TYR 35 0.253 10.155 -4.699 306 HE2 TYR 35 HE2 TYR 35 0.849 11.067 -8.823 307 HH TYR 35 HH TYR 35 1.001 12.612 -6.850 308 H ARG 36 H ARG 36 -3.248 8.635 -9.724 309 HA ARG 36 HA ARG 36 -3.298 11.295 -9.027 310 HB2 ARG 36 HB2 ARG 36 -4.799 10.033 -11.330 311 HB3 ARG 36 HB3 ARG 36 -4.316 11.718 -11.208 312 HG2 ARG 36 HG2 ARG 36 -2.459 9.358 -11.384 313 HG3 ARG 36 HG3 ARG 36 -2.842 10.481 -12.688 314 HD2 ARG 36 HD2 ARG 36 -1.523 11.217 -10.078 315 HD3 ARG 36 HD3 ARG 36 -0.689 10.979 -11.610 316 HE ARG 36 HE ARG 36 -2.758 12.913 -11.856 317 HH11 ARG 36 HH11 ARG 36 0.511 12.471 -10.693 318 HH12 ARG 36 HH12 ARG 36 0.913 14.153 -10.801 319 HH21 ARG 36 HH21 ARG 36 -2.229 15.122 -12.030 320 HH22 ARG 36 HH22 ARG 36 -0.644 15.661 -11.571 321 H LYS 37 H LYS 37 -6.123 9.282 -9.722 322 HA LYS 37 HA LYS 37 -8.166 11.060 -9.387 323 HB2 LYS 37 HB2 LYS 37 -8.014 8.144 -8.645 324 HB3 LYS 37 HB3 LYS 37 -9.518 9.055 -8.660 325 HG2 LYS 37 HG2 LYS 37 -9.541 9.237 -10.951 326 HG3 LYS 37 HG3 LYS 37 -7.797 9.021 -11.089 327 HD2 LYS 37 HD2 LYS 37 -9.316 7.094 -11.843 328 HD3 LYS 37 HD3 LYS 37 -7.940 6.706 -10.811 329 HE2 LYS 37 HE2 LYS 37 -9.390 6.626 -8.866 330 HE3 LYS 37 HE3 LYS 37 -10.774 7.104 -9.852 331 HZ1 LYS 37 HZ1 LYS 37 -9.204 4.623 -10.295 332 HZ2 LYS 37 HZ2 LYS 37 -10.654 5.057 -11.049 333 HZ3 LYS 37 HZ3 LYS 37 -10.638 4.686 -9.401 334 H LEU 38 H LEU 38 -6.510 9.261 -6.842 335 HA LEU 38 HA LEU 38 -8.219 10.457 -4.814 336 HB2 LEU 38 HB2 LEU 38 -6.017 8.414 -4.714 337 HB3 LEU 38 HB3 LEU 38 -6.877 8.991 -3.298 338 HG LEU 38 HG LEU 38 -8.318 7.752 -5.629 339 HD11 LEU 38 HD11 LEU 38 -7.196 6.363 -3.208 340 HD12 LEU 38 HD12 LEU 38 -6.685 6.142 -4.881 341 HD13 LEU 38 HD13 LEU 38 -8.302 5.646 -4.380 342 HD21 LEU 38 HD21 LEU 38 -10.025 7.301 -3.921 343 HD22 LEU 38 HD22 LEU 38 -9.687 9.023 -4.082 344 HD23 LEU 38 HD23 LEU 38 -9.025 8.121 -2.721 345 H ALA 39 H ALA 39 -4.964 10.664 -6.006 346 HA ALA 39 HA ALA 39 -3.622 11.893 -3.939 347 HB1 ALA 39 HB1 ALA 39 -2.045 12.693 -5.566 348 HB2 ALA 39 HB2 ALA 39 -3.224 12.473 -6.862 349 HB3 ALA 39 HB3 ALA 39 -2.580 11.070 -6.009 350 H LEU 40 H LEU 40 -5.349 13.593 -6.594 351 HA LEU 40 HA LEU 40 -4.838 16.104 -5.330 352 HB2 LEU 40 HB2 LEU 40 -6.864 16.825 -6.918 353 HB3 LEU 40 HB3 LEU 40 -5.205 16.728 -7.442 354 HG LEU 40 HG LEU 40 -6.938 15.835 -9.015 355 HD11 LEU 40 HD11 LEU 40 -4.673 14.079 -8.133 356 HD12 LEU 40 HD12 LEU 40 -4.676 15.291 -9.415 357 HD13 LEU 40 HD13 LEU 40 -5.607 13.801 -9.602 358 HD21 LEU 40 HD21 LEU 40 -7.059 13.514 -7.116 359 HD22 LEU 40 HD22 LEU 40 -7.847 13.640 -8.687 360 HD23 LEU 40 HD23 LEU 40 -8.345 14.694 -7.365 361 H LYS 41 H LYS 41 -7.602 13.960 -5.492 362 HA LYS 41 HA LYS 41 -9.497 15.281 -4.033 363 HB2 LYS 41 HB2 LYS 41 -9.899 13.112 -5.011 364 HB3 LYS 41 HB3 LYS 41 -8.710 12.367 -3.955 365 HG2 LYS 41 HG2 LYS 41 -10.154 12.932 -2.021 366 HG3 LYS 41 HG3 LYS 41 -11.373 13.519 -3.154 367 HD2 LYS 41 HD2 LYS 41 -11.434 11.297 -4.205 368 HD3 LYS 41 HD3 LYS 41 -10.256 10.722 -3.028 369 HE2 LYS 41 HE2 LYS 41 -12.463 10.055 -2.336 370 HE3 LYS 41 HE3 LYS 41 -11.837 11.271 -1.224 371 HZ1 LYS 41 HZ1 LYS 41 -13.185 12.932 -2.256 372 HZ2 LYS 41 HZ2 LYS 41 -14.177 11.623 -1.859 373 HZ3 LYS 41 HZ3 LYS 41 -13.694 11.860 -3.463 374 H TYR 42 H TYR 42 -6.661 13.564 -2.791 375 HA TYR 42 HA TYR 42 -7.290 14.599 -0.106 376 HB2 TYR 42 HB2 TYR 42 -5.722 12.183 -0.997 377 HB3 TYR 42 HB3 TYR 42 -5.596 12.828 0.640 378 HD1 TYR 42 HD2 TYR 42 -7.614 12.856 2.096 379 HD2 TYR 42 HD1 TYR 42 -7.594 10.835 -1.643 380 HE1 TYR 42 HE2 TYR 42 -9.581 11.568 2.789 381 HE2 TYR 42 HE1 TYR 42 -9.568 9.545 -0.961 382 HH TYR 42 HH TYR 42 -11.415 10.330 1.817 383 H HIS 43 H HIS 43 -5.962 15.997 -2.360 384 HA HIS 43 HA HIS 43 -3.195 16.230 -1.910 385 HB2 HIS 43 HB2 HIS 43 -4.872 17.173 -3.803 386 HB3 HIS 43 HB3 HIS 43 -4.689 18.629 -2.830 387 HD1 HIS 43 HD1 HIS 43 -2.864 20.080 -3.660 388 HD2 HIS 43 HD2 HIS 43 -2.100 16.061 -4.404 389 HE1 HIS 43 HE1 HIS 43 -0.666 20.022 -4.867 390 HE2 HIS 43 HE2 HIS 43 -0.287 17.593 -5.422 391 HA PRO 44 HA PRO 44 -2.637 18.019 2.017 392 HB2 PRO 44 HB2 PRO 44 -1.103 20.260 1.127 393 HB3 PRO 44 HB3 PRO 44 -0.525 18.753 1.834 394 HG2 PRO 44 HG2 PRO 44 -0.739 19.555 -1.000 395 HG3 PRO 44 HG3 PRO 44 0.373 18.405 -0.235 396 HD2 PRO 44 HD2 PRO 44 -1.646 17.584 -1.769 397 HD3 PRO 44 HD3 PRO 44 -1.185 16.675 -0.316 398 H ASP 45 H ASP 45 -3.511 20.395 -0.484 399 HA ASP 45 HA ASP 45 -4.289 22.393 1.362 400 HB2 ASP 45 HB2 ASP 45 -3.677 22.937 -0.944 401 HB3 ASP 45 HB3 ASP 45 -5.061 22.027 -1.537 402 H LYS 46 H LYS 46 -5.860 19.602 0.167 403 HA LYS 46 HA LYS 46 -8.545 20.528 0.706 404 HB2 LYS 46 HB2 LYS 46 -7.497 17.754 0.143 405 HB3 LYS 46 HB3 LYS 46 -9.171 18.253 0.093 406 HG2 LYS 46 HG2 LYS 46 -8.131 20.000 -1.644 407 HG3 LYS 46 HG3 LYS 46 -7.014 18.656 -1.848 408 HD2 LYS 46 HD2 LYS 46 -8.870 17.150 -2.297 409 HD3 LYS 46 HD3 LYS 46 -10.017 18.466 -2.054 410 HE2 LYS 46 HE2 LYS 46 -7.863 18.494 -4.154 411 HE3 LYS 46 HE3 LYS 46 -9.496 17.902 -4.452 412 HZ1 LYS 46 HZ1 LYS 46 -8.757 20.653 -3.608 413 HZ2 LYS 46 HZ2 LYS 46 -10.335 20.101 -3.845 414 HZ3 LYS 46 HZ3 LYS 46 -9.267 20.188 -5.151 415 H ASN 47 H ASN 47 -6.220 20.035 2.795 416 HA ASN 47 HA ASN 47 -7.623 18.064 4.461 417 HB2 ASN 47 HB2 ASN 47 -4.742 18.896 4.657 418 HB3 ASN 47 HB3 ASN 47 -5.512 17.606 5.543 419 HD21 ASN 47 HD21 ASN 47 -5.885 18.315 2.099 420 HD22 ASN 47 HD22 ASN 47 -5.212 16.814 1.570 421 HA PRO 48 HA PRO 48 -8.251 21.467 7.336 422 HB2 PRO 48 HB2 PRO 48 -9.682 19.371 8.802 423 HB3 PRO 48 HB3 PRO 48 -10.285 20.912 8.189 424 HG2 PRO 48 HG2 PRO 48 -11.027 18.578 7.093 425 HG3 PRO 48 HG3 PRO 48 -10.798 20.035 6.111 426 HD2 PRO 48 HD2 PRO 48 -8.932 17.717 6.518 427 HD3 PRO 48 HD3 PRO 48 -9.364 18.560 5.014 428 H ASP 49 H ASP 49 -8.607 20.635 9.974 429 HA ASP 49 HA ASP 49 -5.985 20.726 10.869 430 HB2 ASP 49 HB2 ASP 49 -6.918 20.617 13.037 431 HB3 ASP 49 HB3 ASP 49 -8.106 21.430 12.020 432 H ASN 50 H ASN 50 -8.121 17.991 10.401 433 HA ASN 50 HA ASN 50 -6.577 16.075 11.753 434 HB2 ASN 50 HB2 ASN 50 -7.991 14.459 10.606 435 HB3 ASN 50 HB3 ASN 50 -8.959 15.770 11.241 436 HD21 ASN 50 HD21 ASN 50 -9.358 13.819 9.024 437 HD22 ASN 50 HD22 ASN 50 -9.706 14.787 7.631 438 HA PRO 51 HA PRO 51 -3.526 15.402 8.522 439 HB2 PRO 51 HB2 PRO 51 -1.967 13.701 9.881 440 HB3 PRO 51 HB3 PRO 51 -2.014 15.423 10.277 441 HG2 PRO 51 HG2 PRO 51 -3.314 13.121 11.660 442 HG3 PRO 51 HG3 PRO 51 -2.571 14.572 12.352 443 HD2 PRO 51 HD2 PRO 51 -5.299 14.186 11.975 444 HD3 PRO 51 HD3 PRO 51 -4.508 15.756 12.207 445 H GLU 52 H GLU 52 -6.083 13.716 9.107 446 HA GLU 52 HA GLU 52 -5.452 10.989 8.615 447 HB2 GLU 52 HB2 GLU 52 -7.565 11.761 9.655 448 HB3 GLU 52 HB3 GLU 52 -8.006 12.528 8.127 449 HG2 GLU 52 HG2 GLU 52 -7.982 10.327 7.043 450 HG3 GLU 52 HG3 GLU 52 -7.618 9.578 8.598 451 H ALA 53 H ALA 53 -6.600 13.648 6.631 452 HA ALA 53 HA ALA 53 -6.779 12.195 4.223 453 HB1 ALA 53 HB1 ALA 53 -6.423 15.158 4.604 454 HB2 ALA 53 HB2 ALA 53 -7.955 14.297 4.741 455 HB3 ALA 53 HB3 ALA 53 -7.102 14.340 3.193 456 H ALA 54 H ALA 54 -4.184 13.796 5.877 457 HA ALA 54 HA ALA 54 -2.271 13.693 3.743 458 HB1 ALA 54 HB1 ALA 54 -1.948 13.900 6.743 459 HB2 ALA 54 HB2 ALA 54 -1.935 15.229 5.582 460 HB3 ALA 54 HB3 ALA 54 -0.630 14.043 5.583 461 H ASP 55 H ASP 55 -3.061 11.650 6.534 462 HA ASP 55 HA ASP 55 -1.287 9.554 6.064 463 HB2 ASP 55 HB2 ASP 55 -3.943 9.804 7.392 464 HB3 ASP 55 HB3 ASP 55 -3.387 8.183 7.012 465 H LYS 56 H LYS 56 -4.529 10.151 4.831 466 HA LYS 56 HA LYS 56 -4.811 7.988 3.108 467 HB2 LYS 56 HB2 LYS 56 -5.882 10.735 3.248 468 HB3 LYS 56 HB3 LYS 56 -6.046 9.919 1.709 469 HG2 LYS 56 HG2 LYS 56 -7.116 9.028 4.367 470 HG3 LYS 56 HG3 LYS 56 -8.018 9.633 2.982 471 HD2 LYS 56 HD2 LYS 56 -6.500 7.033 3.168 472 HD3 LYS 56 HD3 LYS 56 -8.246 7.249 3.057 473 HE2 LYS 56 HE2 LYS 56 -7.985 8.182 0.808 474 HE3 LYS 56 HE3 LYS 56 -6.238 7.965 0.927 475 HZ1 LYS 56 HZ1 LYS 56 -6.601 5.575 1.188 476 HZ2 LYS 56 HZ2 LYS 56 -7.222 6.140 -0.286 477 HZ3 LYS 56 HZ3 LYS 56 -8.270 5.801 0.998 478 H PHE 57 H PHE 57 -3.752 11.269 2.243 479 HA PHE 57 HA PHE 57 -2.910 10.718 -0.311 480 HB2 PHE 57 HB2 PHE 57 -2.952 13.001 0.704 481 HB3 PHE 57 HB3 PHE 57 -1.433 12.600 1.519 482 HD1 PHE 57 HD1 PHE 57 -3.022 13.205 -1.736 483 HD2 PHE 57 HD2 PHE 57 0.607 12.494 0.345 484 HE1 PHE 57 HE1 PHE 57 -1.754 13.928 -3.723 485 HE2 PHE 57 HE2 PHE 57 1.889 13.213 -1.615 486 HZ PHE 57 HZ PHE 57 0.648 13.725 -3.772 487 H LYS 58 H LYS 58 -1.114 10.319 2.657 488 HA LYS 58 HA LYS 58 1.356 9.570 1.662 489 HB2 LYS 58 HB2 LYS 58 0.810 10.042 4.005 490 HB3 LYS 58 HB3 LYS 58 -0.084 8.535 4.099 491 HG2 LYS 58 HG2 LYS 58 1.991 7.307 3.663 492 HG3 LYS 58 HG3 LYS 58 2.875 8.835 3.641 493 HD2 LYS 58 HD2 LYS 58 1.405 7.556 5.941 494 HD3 LYS 58 HD3 LYS 58 3.128 7.934 5.827 495 HE2 LYS 58 HE2 LYS 58 0.915 9.986 5.805 496 HE3 LYS 58 HE3 LYS 58 1.838 9.523 7.243 497 HZ1 LYS 58 HZ1 LYS 58 3.860 10.263 6.127 498 HZ2 LYS 58 HZ2 LYS 58 2.739 11.520 6.242 499 HZ3 LYS 58 HZ3 LYS 58 2.965 10.724 4.771 500 H GLU 59 H GLU 59 -1.441 7.493 2.432 501 HA GLU 59 HA GLU 59 -0.098 5.130 1.609 502 HB2 GLU 59 HB2 GLU 59 -2.386 4.099 1.737 503 HB3 GLU 59 HB3 GLU 59 -1.775 4.810 3.213 504 HG2 GLU 59 HG2 GLU 59 -3.123 6.788 2.808 505 HG3 GLU 59 HG3 GLU 59 -3.740 6.063 1.327 506 H ILE 60 H ILE 60 -2.295 7.365 -0.042 507 HA ILE 60 HA ILE 60 -2.600 5.917 -2.458 508 HB ILE 60 HB ILE 60 -2.197 8.903 -2.393 509 HG12 ILE 60 HG12 ILE 60 -4.869 7.573 -1.992 510 HG13 ILE 60 HG13 ILE 60 -3.884 8.127 -0.641 511 HG21 ILE 60 HG21 ILE 60 -4.175 7.476 -4.090 512 HG22 ILE 60 HG22 ILE 60 -2.470 7.435 -4.514 513 HG23 ILE 60 HG23 ILE 60 -3.306 8.984 -4.391 514 HD11 ILE 60 HD11 ILE 60 -3.887 10.403 -1.759 515 HD12 ILE 60 HD12 ILE 60 -5.420 9.856 -1.080 516 HD13 ILE 60 HD13 ILE 60 -5.143 9.769 -2.820 517 H ASN 61 H ASN 61 -0.329 8.426 -1.516 518 HA ASN 61 HA ASN 61 1.269 8.447 -3.804 519 HB2 ASN 61 HB2 ASN 61 1.205 10.237 -2.074 520 HB3 ASN 61 HB3 ASN 61 2.019 9.150 -0.950 521 HD21 ASN 61 HD21 ASN 61 4.171 8.940 -1.031 522 HD22 ASN 61 HD22 ASN 61 5.192 9.794 -2.131 523 H ASN 62 H ASN 62 1.424 6.531 -0.867 524 HA ASN 62 HA ASN 62 3.911 5.284 -1.422 525 HB2 ASN 62 HB2 ASN 62 2.656 5.387 0.822 526 HB3 ASN 62 HB3 ASN 62 1.717 4.029 0.208 527 HD21 ASN 62 HD21 ASN 62 2.481 2.578 1.706 528 HD22 ASN 62 HD22 ASN 62 4.111 2.001 1.714 529 H ALA 63 H ALA 63 0.579 4.037 -1.660 530 HA ALA 63 HA ALA 63 1.114 1.597 -2.836 531 HB1 ALA 63 HB1 ALA 63 -1.086 2.231 -1.998 532 HB2 ALA 63 HB2 ALA 63 -1.188 1.639 -3.656 533 HB3 ALA 63 HB3 ALA 63 -1.274 3.371 -3.330 534 H HIS 64 H HIS 64 0.749 4.735 -4.346 535 HA HIS 64 HA HIS 64 0.744 4.133 -7.026 536 HB2 HIS 64 HB2 HIS 64 0.499 6.388 -6.326 537 HB3 HIS 64 HB3 HIS 64 2.046 6.377 -5.489 538 HD1 HIS 64 HD1 HIS 64 3.805 7.601 -6.694 539 HD2 HIS 64 HD2 HIS 64 0.996 5.992 -9.301 540 HE1 HIS 64 HE1 HIS 64 4.498 8.358 -8.985 541 HE2 HIS 64 HE2 HIS 64 2.664 7.553 -10.515 542 H ALA 65 H ALA 65 3.513 4.217 -4.827 543 HA ALA 65 HA ALA 65 5.329 3.585 -7.018 544 HB1 ALA 65 HB1 ALA 65 5.988 5.276 -5.364 545 HB2 ALA 65 HB2 ALA 65 7.103 3.910 -5.397 546 HB3 ALA 65 HB3 ALA 65 5.919 4.051 -4.098 547 H ILE 66 H ILE 66 3.766 2.080 -4.302 548 HA ILE 66 HA ILE 66 5.523 -0.094 -3.932 549 HB ILE 66 HB ILE 66 2.565 -0.076 -3.330 550 HG12 ILE 66 HG12 ILE 66 3.427 1.832 -2.218 551 HG13 ILE 66 HG13 ILE 66 3.325 0.566 -1.002 552 HG21 ILE 66 HG21 ILE 66 3.575 -2.280 -3.218 553 HG22 ILE 66 HG22 ILE 66 3.140 -1.712 -1.607 554 HG23 ILE 66 HG23 ILE 66 4.823 -1.670 -2.131 555 HD11 ILE 66 HD11 ILE 66 5.360 1.848 -0.783 556 HD12 ILE 66 HD12 ILE 66 5.809 1.438 -2.442 557 HD13 ILE 66 HD13 ILE 66 5.716 0.173 -1.213 558 H LEU 67 H LEU 67 2.355 0.003 -5.593 559 HA LEU 67 HA LEU 67 2.447 -2.796 -6.074 560 HB2 LEU 67 HB2 LEU 67 0.615 -0.673 -7.162 561 HB3 LEU 67 HB3 LEU 67 0.415 -2.381 -7.481 562 HG LEU 67 HG LEU 67 -0.876 -2.511 -5.685 563 HD11 LEU 67 HD11 LEU 67 0.070 -2.357 -3.434 564 HD12 LEU 67 HD12 LEU 67 1.533 -1.640 -4.110 565 HD13 LEU 67 HD13 LEU 67 1.089 -3.295 -4.526 566 HD21 LEU 67 HD21 LEU 67 0.002 0.280 -4.988 567 HD22 LEU 67 HD22 LEU 67 -1.355 -0.585 -4.264 568 HD23 LEU 67 HD23 LEU 67 -1.387 -0.168 -5.977 569 H THR 68 H THR 68 3.493 -0.056 -7.949 570 HA THR 68 HA THR 68 3.876 -1.821 -10.259 571 HB THR 68 HB THR 68 2.669 0.243 -10.770 572 HG1 THR 68 HG1 THR 68 5.274 -0.075 -11.841 573 HG21 THR 68 HG21 THR 68 3.624 1.671 -9.034 574 HG22 THR 68 HG22 THR 68 3.747 2.414 -10.628 575 HG23 THR 68 HG23 THR 68 5.166 1.675 -9.886 576 H ASP 69 H ASP 69 5.497 -1.554 -7.699 577 HA ASP 69 HA ASP 69 8.132 -1.144 -8.961 578 HB2 ASP 69 HB2 ASP 69 7.719 0.167 -6.881 579 HB3 ASP 69 HB3 ASP 69 7.436 -1.348 -6.018 580 H ALA 70 H ALA 70 9.807 -2.771 -8.332 581 HA ALA 70 HA ALA 70 8.691 -5.437 -8.429 582 HB1 ALA 70 HB1 ALA 70 11.000 -6.188 -8.631 583 HB2 ALA 70 HB2 ALA 70 11.566 -4.546 -8.329 584 HB3 ALA 70 HB3 ALA 70 10.644 -4.904 -9.787 585 H THR 71 H THR 71 10.547 -3.454 -6.154 586 HA THR 71 HA THR 71 10.973 -5.697 -4.372 587 HB THR 71 HB THR 71 11.701 -2.775 -4.137 588 HG1 THR 71 HG1 THR 71 13.680 -3.428 -4.791 589 HG21 THR 71 HG21 THR 71 13.132 -3.576 -2.232 590 HG22 THR 71 HG22 THR 71 12.236 -5.097 -2.293 591 HG23 THR 71 HG23 THR 71 11.394 -3.590 -1.924 592 H LYS 72 H LYS 72 9.201 -2.623 -4.297 593 HA LYS 72 HA LYS 72 8.212 -3.054 -1.664 594 HB2 LYS 72 HB2 LYS 72 7.527 -1.104 -3.845 595 HB3 LYS 72 HB3 LYS 72 6.676 -1.118 -2.303 596 HG2 LYS 72 HG2 LYS 72 8.642 -0.620 -1.096 597 HG3 LYS 72 HG3 LYS 72 9.668 -0.932 -2.494 598 HD2 LYS 72 HD2 LYS 72 7.669 1.315 -2.295 599 HD3 LYS 72 HD3 LYS 72 9.393 1.476 -1.978 600 HE2 LYS 72 HE2 LYS 72 9.818 0.661 -4.288 601 HE3 LYS 72 HE3 LYS 72 8.081 0.721 -4.581 602 HZ1 LYS 72 HZ1 LYS 72 9.058 2.727 -5.383 603 HZ2 LYS 72 HZ2 LYS 72 9.871 2.995 -3.928 604 HZ3 LYS 72 HZ3 LYS 72 8.188 3.120 -3.987 605 H ARG 73 H ARG 73 7.237 -4.091 -4.743 606 HA ARG 73 HA ARG 73 4.625 -5.025 -3.863 607 HB2 ARG 73 HB2 ARG 73 4.588 -4.425 -6.126 608 HB3 ARG 73 HB3 ARG 73 6.189 -5.078 -6.424 609 HG2 ARG 73 HG2 ARG 73 4.755 -6.505 -7.560 610 HG3 ARG 73 HG3 ARG 73 5.136 -7.368 -6.071 611 HD2 ARG 73 HD2 ARG 73 3.008 -6.612 -5.106 612 HD3 ARG 73 HD3 ARG 73 2.629 -5.783 -6.617 613 HE ARG 73 HE ARG 73 2.971 -8.707 -6.382 614 HH11 ARG 73 HH11 ARG 73 1.366 -5.918 -7.767 615 HH12 ARG 73 HH12 ARG 73 0.335 -6.860 -8.789 616 HH21 ARG 73 HH21 ARG 73 1.614 -9.947 -7.720 617 HH22 ARG 73 HH22 ARG 73 0.477 -9.158 -8.769 618 H ASN 74 H ASN 74 7.869 -6.054 -4.194 619 HA ASN 74 HA ASN 74 7.524 -8.849 -4.080 620 HB2 ASN 74 HB2 ASN 74 9.629 -7.815 -4.808 621 HB3 ASN 74 HB3 ASN 74 9.848 -7.120 -3.207 622 HD21 ASN 74 HD21 ASN 74 10.371 -8.442 -1.487 623 HD22 ASN 74 HD22 ASN 74 11.076 -10.002 -1.716 624 H ILE 75 H ILE 75 8.696 -6.662 -1.471 625 HA ILE 75 HA ILE 75 8.548 -8.717 0.462 626 HB ILE 75 HB ILE 75 9.088 -7.181 2.144 627 HG12 ILE 75 HG12 ILE 75 7.375 -5.492 1.819 628 HG13 ILE 75 HG13 ILE 75 8.955 -4.727 1.897 629 HG21 ILE 75 HG21 ILE 75 10.878 -7.554 0.595 630 HG22 ILE 75 HG22 ILE 75 10.951 -5.908 1.221 631 HG23 ILE 75 HG23 ILE 75 10.337 -6.206 -0.405 632 HD11 ILE 75 HD11 ILE 75 7.562 -3.716 0.214 633 HD12 ILE 75 HD12 ILE 75 7.386 -5.274 -0.596 634 HD13 ILE 75 HD13 ILE 75 8.969 -4.494 -0.511 635 H TYR 76 H TYR 76 6.192 -6.496 -0.724 636 HA TYR 76 HA TYR 76 4.332 -6.459 1.330 637 HB2 TYR 76 HB2 TYR 76 3.753 -5.055 -0.406 638 HB3 TYR 76 HB3 TYR 76 4.207 -6.220 -1.644 639 HD1 TYR 76 HD1 TYR 76 2.664 -7.910 -2.386 640 HD2 TYR 76 HD2 TYR 76 1.530 -5.111 0.608 641 HE1 TYR 76 HE1 TYR 76 0.316 -8.566 -2.679 642 HE2 TYR 76 HE2 TYR 76 -0.829 -5.753 0.326 643 HH TYR 76 HH TYR 76 -1.788 -8.523 -1.365 644 H ASP 77 H ASP 77 4.871 -8.839 -1.200 645 HA ASP 77 HA ASP 77 2.675 -10.502 -0.327 646 HB2 ASP 77 HB2 ASP 77 3.155 -10.401 -2.687 647 HB3 ASP 77 HB3 ASP 77 4.825 -10.895 -2.417 648 H LYS 78 H LYS 78 6.055 -10.233 0.259 649 HA LYS 78 HA LYS 78 6.387 -12.897 1.313 650 HB2 LYS 78 HB2 LYS 78 8.096 -10.460 1.124 651 HB3 LYS 78 HB3 LYS 78 8.511 -11.654 2.335 652 HG2 LYS 78 HG2 LYS 78 9.837 -12.254 0.551 653 HG3 LYS 78 HG3 LYS 78 8.455 -13.332 0.376 654 HD2 LYS 78 HD2 LYS 78 8.553 -10.710 -1.068 655 HD3 LYS 78 HD3 LYS 78 9.408 -12.114 -1.701 656 HE2 LYS 78 HE2 LYS 78 6.462 -12.000 -1.082 657 HE3 LYS 78 HE3 LYS 78 7.170 -11.816 -2.684 658 HZ1 LYS 78 HZ1 LYS 78 8.081 -14.064 -2.466 659 HZ2 LYS 78 HZ2 LYS 78 6.395 -14.052 -2.373 660 HZ3 LYS 78 HZ3 LYS 78 7.317 -14.235 -0.967 661 H TYR 79 H TYR 79 6.531 -9.672 2.812 662 HA TYR 79 HA TYR 79 5.399 -10.809 5.274 663 HB2 TYR 79 HB2 TYR 79 7.831 -9.024 5.060 664 HB3 TYR 79 HB3 TYR 79 6.975 -9.320 6.565 665 HD1 TYR 79 HD2 TYR 79 7.063 -11.512 7.641 666 HD2 TYR 79 HD1 TYR 79 9.242 -10.725 4.074 667 HE1 TYR 79 HE2 TYR 79 8.404 -13.536 8.020 668 HE2 TYR 79 HE1 TYR 79 10.590 -12.747 4.444 669 HH TYR 79 HH TYR 79 9.751 -15.113 6.767 670 H GLY 80 H GLY 80 6.475 -7.680 3.939 671 HA2 GLY 80 HA2 GLY 80 5.020 -6.061 3.057 672 HA3 GLY 80 HA3 GLY 80 3.687 -6.804 3.932 673 H SER 81 H SER 81 4.765 -6.753 6.563 674 HA SER 81 HA SER 81 4.252 -3.969 7.094 675 HB2 SER 81 HB2 SER 81 3.365 -5.838 8.534 676 HB3 SER 81 HB3 SER 81 5.012 -6.104 9.101 677 HG SER 81 HG SER 81 4.637 -3.556 9.404 678 H LEU 82 H LEU 82 6.905 -6.181 7.945 679 HA LEU 82 HA LEU 82 8.732 -4.251 8.802 680 HB2 LEU 82 HB2 LEU 82 8.787 -6.887 8.810 681 HB3 LEU 82 HB3 LEU 82 9.621 -6.682 7.287 682 HG LEU 82 HG LEU 82 10.549 -5.672 9.980 683 HD11 LEU 82 HD11 LEU 82 10.762 -8.079 9.701 684 HD12 LEU 82 HD12 LEU 82 12.343 -7.298 9.697 685 HD13 LEU 82 HD13 LEU 82 11.622 -7.837 8.179 686 HD21 LEU 82 HD21 LEU 82 11.909 -5.468 7.294 687 HD22 LEU 82 HD22 LEU 82 12.613 -5.019 8.847 688 HD23 LEU 82 HD23 LEU 82 11.233 -4.123 8.213 689 H GLY 83 H GLY 83 8.364 -5.773 5.624 690 HA2 GLY 83 HA2 GLY 83 10.597 -4.659 4.420 691 HA3 GLY 83 HA3 GLY 83 9.208 -5.290 3.569 692 H LEU 84 H LEU 84 7.287 -3.340 4.461 693 HA LEU 84 HA LEU 84 7.923 -1.337 2.528 694 HB2 LEU 84 HB2 LEU 84 5.595 -1.668 4.405 695 HB3 LEU 84 HB3 LEU 84 5.725 -0.336 3.276 696 HG LEU 84 HG LEU 84 5.627 -3.255 2.507 697 HD11 LEU 84 HD11 LEU 84 3.504 -2.496 3.406 698 HD12 LEU 84 HD12 LEU 84 3.390 -2.721 1.660 699 HD13 LEU 84 HD13 LEU 84 3.530 -1.097 2.334 700 HD21 LEU 84 HD21 LEU 84 5.363 -2.416 0.224 701 HD22 LEU 84 HD22 LEU 84 6.898 -1.897 0.918 702 HD23 LEU 84 HD23 LEU 84 5.555 -0.762 0.807 703 H TYR 85 H TYR 85 8.102 -1.533 5.993 704 HA TYR 85 HA TYR 85 8.372 1.311 6.358 705 HB2 TYR 85 HB2 TYR 85 7.790 0.768 8.446 706 HB3 TYR 85 HB3 TYR 85 7.832 -0.931 8.010 707 HD1 TYR 85 HD2 TYR 85 9.816 -2.294 8.531 708 HD2 TYR 85 HD1 TYR 85 9.554 1.779 9.737 709 HE1 TYR 85 HE2 TYR 85 11.675 -2.641 10.100 710 HE2 TYR 85 HE1 TYR 85 11.419 1.442 11.301 711 HH TYR 85 HH TYR 85 12.496 -0.367 12.513 712 H VAL 86 H VAL 86 10.519 -1.486 6.259 713 HA VAL 86 HA VAL 86 12.857 -0.069 7.019 714 HB VAL 86 HB VAL 86 12.848 -2.406 7.410 715 HG11 VAL 86 HG11 VAL 86 12.479 -2.864 4.464 716 HG12 VAL 86 HG12 VAL 86 11.198 -2.972 5.673 717 HG13 VAL 86 HG13 VAL 86 12.563 -4.076 5.740 718 HG21 VAL 86 HG21 VAL 86 15.051 -1.818 6.921 719 HG22 VAL 86 HG22 VAL 86 14.712 -1.629 5.201 720 HG23 VAL 86 HG23 VAL 86 14.749 -3.244 5.918 721 H ALA 87 H ALA 87 11.358 -0.811 3.919 722 HA ALA 87 HA ALA 87 13.615 -0.310 2.303 723 HB1 ALA 87 HB1 ALA 87 10.722 -0.051 1.540 724 HB2 ALA 87 HB2 ALA 87 11.655 -1.549 1.533 725 HB3 ALA 87 HB3 ALA 87 12.095 -0.227 0.450 726 H GLU 88 H GLU 88 11.302 1.845 3.764 727 HA GLU 88 HA GLU 88 11.844 4.008 1.958 728 HB2 GLU 88 HB2 GLU 88 10.450 3.985 4.631 729 HB3 GLU 88 HB3 GLU 88 10.510 5.358 3.537 730 HG2 GLU 88 HG2 GLU 88 9.425 3.855 1.815 731 HG3 GLU 88 HG3 GLU 88 9.129 2.729 3.138 732 H GLN 89 H GLN 89 12.814 3.189 5.265 733 HA GLN 89 HA GLN 89 14.413 5.607 5.398 734 HB2 GLN 89 HB2 GLN 89 14.830 4.920 7.744 735 HB3 GLN 89 HB3 GLN 89 13.127 5.102 7.350 736 HG2 GLN 89 HG2 GLN 89 12.966 2.659 7.079 737 HG3 GLN 89 HG3 GLN 89 14.650 2.523 7.575 738 HE21 GLN 89 HE21 GLN 89 12.347 4.795 8.928 739 HE22 GLN 89 HE22 GLN 89 12.294 4.082 10.500 740 H PHE 90 H PHE 90 14.885 2.154 5.025 741 HA PHE 90 HA PHE 90 17.780 2.531 5.234 742 HB2 PHE 90 HB2 PHE 90 16.065 0.058 5.156 743 HB3 PHE 90 HB3 PHE 90 17.813 -0.012 4.932 744 HD1 PHE 90 HD2 PHE 90 19.316 0.583 6.766 745 HD2 PHE 90 HD1 PHE 90 15.099 0.435 7.301 746 HE1 PHE 90 HE2 PHE 90 19.632 0.514 9.204 747 HE2 PHE 90 HE1 PHE 90 15.407 0.363 9.740 748 HZ PHE 90 HZ PHE 90 17.676 0.402 10.692 749 H GLY 91 H GLY 91 15.274 1.688 2.884 750 HA2 GLY 91 HA2 GLY 91 15.763 2.244 0.548 751 HA3 GLY 91 HA3 GLY 91 17.402 1.664 0.828 752 H GLU 92 H GLU 92 15.208 0.845 -1.045 753 HA GLU 92 HA GLU 92 14.014 -1.562 -0.112 754 HB2 GLU 92 HB2 GLU 92 14.361 -0.836 -3.014 755 HB3 GLU 92 HB3 GLU 92 13.014 -1.656 -2.234 756 HG2 GLU 92 HG2 GLU 92 12.010 0.247 -1.655 757 HG3 GLU 92 HG3 GLU 92 13.534 1.039 -1.254 758 H GLU 93 H GLU 93 16.805 -0.796 -2.084 759 HA GLU 93 HA GLU 93 17.430 -3.502 -2.769 760 HB2 GLU 93 HB2 GLU 93 19.582 -2.609 -3.514 761 HB3 GLU 93 HB3 GLU 93 18.259 -1.601 -4.089 762 HG2 GLU 93 HG2 GLU 93 18.700 -0.012 -2.278 763 HG3 GLU 93 HG3 GLU 93 20.035 -1.018 -1.731 764 H ASN 94 H ASN 94 17.783 -1.642 0.042 765 HA ASN 94 HA ASN 94 20.129 -3.055 1.002 766 HB2 ASN 94 HB2 ASN 94 18.513 -0.748 2.041 767 HB3 ASN 94 HB3 ASN 94 19.702 -1.559 3.049 768 HD21 ASN 94 HD21 ASN 94 19.683 1.179 2.077 769 HD22 ASN 94 HD22 ASN 94 21.142 1.374 1.167 770 H VAL 95 H VAL 95 16.723 -2.758 1.734 771 HA VAL 95 HA VAL 95 16.325 -3.916 4.116 772 HB VAL 95 HB VAL 95 14.175 -4.680 3.454 773 HG11 VAL 95 HG11 VAL 95 13.282 -2.761 2.247 774 HG12 VAL 95 HG12 VAL 95 14.919 -2.295 1.786 775 HG13 VAL 95 HG13 VAL 95 14.442 -2.279 3.481 776 HG21 VAL 95 HG21 VAL 95 13.460 -4.971 1.163 777 HG22 VAL 95 HG22 VAL 95 14.854 -6.005 1.495 778 HG23 VAL 95 HG23 VAL 95 15.061 -4.510 0.579 779 H ASN 96 H ASN 96 17.331 -5.650 1.263 780 HA ASN 96 HA ASN 96 16.750 -8.278 1.907 781 HB2 ASN 96 HB2 ASN 96 17.782 -7.196 -0.207 782 HB3 ASN 96 HB3 ASN 96 19.328 -7.467 0.585 783 HD21 ASN 96 HD21 ASN 96 18.533 -9.965 1.823 784 HD22 ASN 96 HD22 ASN 96 18.436 -11.141 0.555 785 H THR 97 H THR 97 19.010 -6.139 3.374 786 HA THR 97 HA THR 97 20.793 -8.020 4.483 787 HB THR 97 HB THR 97 21.299 -5.615 4.351 788 HG1 THR 97 HG1 THR 97 22.604 -6.231 5.902 789 HG21 THR 97 HG21 THR 97 19.157 -5.317 6.456 790 HG22 THR 97 HG22 THR 97 19.136 -4.654 4.818 791 HG23 THR 97 HG23 THR 97 20.303 -4.055 6.001 792 H TYR 98 H TYR 98 17.738 -6.701 5.594 793 HA TYR 98 HA TYR 98 17.859 -8.235 8.071 794 HB2 TYR 98 HB2 TYR 98 15.766 -6.351 6.955 795 HB3 TYR 98 HB3 TYR 98 15.629 -7.175 8.514 796 HD1 TYR 98 HD1 TYR 98 17.833 -6.842 10.032 797 HD2 TYR 98 HD2 TYR 98 16.497 -4.173 7.005 798 HE1 TYR 98 HE1 TYR 98 19.070 -5.013 11.108 799 HE2 TYR 98 HE2 TYR 98 17.734 -2.335 8.072 800 HH TYR 98 HH TYR 98 18.583 -1.798 10.409 801 H PHE 99 H PHE 99 16.874 -8.594 4.903 802 HA PHE 99 HA PHE 99 14.814 -10.573 5.541 803 HB2 PHE 99 HB2 PHE 99 15.418 -8.936 3.093 804 HB3 PHE 99 HB3 PHE 99 14.375 -10.345 3.000 805 HD1 PHE 99 HD1 PHE 99 12.241 -10.384 4.152 806 HD2 PHE 99 HD2 PHE 99 14.721 -6.940 4.138 807 HE1 PHE 99 HE1 PHE 99 10.331 -9.034 4.868 808 HE2 PHE 99 HE2 PHE 99 12.808 -5.557 4.866 809 HZ PHE 99 HZ PHE 99 10.621 -6.622 5.292 810 H VAL 100 H VAL 100 14.898 -11.934 3.130 811 HA VAL 100 HA VAL 100 16.685 -13.975 3.646 812 HB VAL 100 HB VAL 100 15.840 -14.637 1.280 813 HG11 VAL 100 HG11 VAL 100 13.741 -15.449 2.245 814 HG12 VAL 100 HG12 VAL 100 13.965 -14.355 3.609 815 HG13 VAL 100 HG13 VAL 100 15.095 -15.682 3.349 816 HG21 VAL 100 HG21 VAL 100 15.081 -12.309 0.766 817 HG22 VAL 100 HG22 VAL 100 13.800 -12.546 1.955 818 HG23 VAL 100 HG23 VAL 100 13.864 -13.560 0.514 Start of MODEL 18 1 H1 MET -4 H1 MET -4 -8.402 -16.427 6.417 2 H2 MET -4 H2 MET -4 -9.483 -16.239 5.131 3 H3 MET -4 H3 MET -4 -8.156 -15.204 5.280 4 HA MET -4 HA MET -4 -6.629 -16.946 4.858 5 HB2 MET -4 HB2 MET -4 -7.518 -19.212 4.215 6 HB3 MET -4 HB3 MET -4 -7.685 -18.798 5.912 7 HG2 MET -4 HG2 MET -4 -9.693 -19.838 5.323 8 HG3 MET -4 HG3 MET -4 -10.063 -18.120 5.376 9 HE1 MET -4 HE1 MET -4 -12.419 -19.400 2.529 10 HE2 MET -4 HE2 MET -4 -12.320 -18.497 4.041 11 HE3 MET -4 HE3 MET -4 -11.993 -20.229 4.026 12 H ARG -3 H ARG -3 -8.346 -14.928 3.463 13 HA ARG -3 HA ARG -3 -8.615 -14.122 1.366 14 HB2 ARG -3 HB2 ARG -3 -6.345 -14.920 0.915 15 HB3 ARG -3 HB3 ARG -3 -6.964 -16.520 0.538 16 HG2 ARG -3 HG2 ARG -3 -8.142 -15.620 -1.394 17 HG3 ARG -3 HG3 ARG -3 -7.559 -14.000 -1.005 18 HD2 ARG -3 HD2 ARG -3 -5.269 -14.710 -1.342 19 HD3 ARG -3 HD3 ARG -3 -5.797 -16.368 -1.628 20 HE ARG -3 HE ARG -3 -7.128 -14.817 -3.480 21 HH11 ARG -3 HH11 ARG -3 -3.784 -15.471 -2.682 22 HH12 ARG -3 HH12 ARG -3 -3.221 -15.294 -4.314 23 HH21 ARG -3 HH21 ARG -3 -6.392 -14.562 -5.636 24 HH22 ARG -3 HH22 ARG -3 -4.710 -14.783 -5.996 25 H SER -2 H SER -2 -10.848 -14.478 1.529 26 HA SER -2 HA SER -2 -11.830 -16.874 0.137 27 HB2 SER -2 HB2 SER -2 -14.027 -16.298 1.273 28 HB3 SER -2 HB3 SER -2 -12.724 -16.809 2.347 29 HG SER -2 HG SER -2 -12.966 -14.076 1.816 30 HA PRO -1 HA PRO -1 -12.868 -13.758 -3.016 31 HB2 PRO -1 HB2 PRO -1 -13.154 -15.566 -5.020 32 HB3 PRO -1 HB3 PRO -1 -11.580 -14.932 -4.525 33 HG2 PRO -1 HG2 PRO -1 -12.887 -17.525 -3.818 34 HG3 PRO -1 HG3 PRO -1 -11.200 -17.208 -4.258 35 HD2 PRO -1 HD2 PRO -1 -12.015 -17.539 -1.695 36 HD3 PRO -1 HD3 PRO -1 -10.654 -16.490 -2.140 37 H GLY 0 H GLY 0 -14.897 -13.076 -3.458 38 HA2 GLY 0 HA2 GLY 0 -17.213 -13.188 -3.706 39 HA3 GLY 0 HA3 GLY 0 -17.128 -14.933 -3.494 40 H MET 1 H MET 1 -15.610 -12.698 -1.326 41 HA MET 1 HA MET 1 -16.696 -13.816 0.993 42 HB2 MET 1 HB2 MET 1 -15.745 -11.868 2.154 43 HB3 MET 1 HB3 MET 1 -14.614 -12.551 0.995 44 HG2 MET 1 HG2 MET 1 -15.267 -10.781 -0.609 45 HG3 MET 1 HG3 MET 1 -16.278 -10.069 0.644 46 HE1 MET 1 HE1 MET 1 -11.674 -10.342 0.833 47 HE2 MET 1 HE2 MET 1 -12.635 -10.838 -0.559 48 HE3 MET 1 HE3 MET 1 -12.718 -11.759 0.941 49 H ALA 2 H ALA 2 -18.384 -13.329 2.281 50 HA ALA 2 HA ALA 2 -20.456 -11.610 1.149 51 HB1 ALA 2 HB1 ALA 2 -21.071 -13.897 1.758 52 HB2 ALA 2 HB2 ALA 2 -21.954 -12.719 2.726 53 HB3 ALA 2 HB3 ALA 2 -20.589 -13.586 3.426 54 H ASP 3 H ASP 3 -21.890 -10.854 3.311 55 HA ASP 3 HA ASP 3 -20.641 -8.522 4.148 56 HB2 ASP 3 HB2 ASP 3 -23.083 -8.912 4.163 57 HB3 ASP 3 HB3 ASP 3 -22.887 -9.978 5.550 58 H GLN 4 H GLN 4 -19.856 -7.830 6.172 59 HA GLN 4 HA GLN 4 -17.922 -9.613 7.199 60 HB2 GLN 4 HB2 GLN 4 -17.380 -7.741 8.761 61 HB3 GLN 4 HB3 GLN 4 -17.384 -7.290 7.062 62 HG2 GLN 4 HG2 GLN 4 -19.565 -6.276 7.308 63 HG3 GLN 4 HG3 GLN 4 -19.639 -6.793 8.989 64 HE21 GLN 4 HE21 GLN 4 -19.748 -4.123 7.796 65 HE22 GLN 4 HE22 GLN 4 -18.479 -3.217 8.546 66 H ARG 5 H ARG 5 -18.719 -11.343 8.272 67 HA ARG 5 HA ARG 5 -20.512 -11.015 10.511 68 HB2 ARG 5 HB2 ARG 5 -18.819 -13.445 9.926 69 HB3 ARG 5 HB3 ARG 5 -20.338 -13.373 10.806 70 HG2 ARG 5 HG2 ARG 5 -19.920 -13.052 7.847 71 HG3 ARG 5 HG3 ARG 5 -20.760 -14.358 8.683 72 HD2 ARG 5 HD2 ARG 5 -22.489 -12.803 9.407 73 HD3 ARG 5 HD3 ARG 5 -21.624 -11.468 8.638 74 HE ARG 5 HE ARG 5 -22.155 -13.504 6.748 75 HH11 ARG 5 HH11 ARG 5 -23.772 -10.985 8.557 76 HH12 ARG 5 HH12 ARG 5 -24.995 -10.729 7.355 77 HH21 ARG 5 HH21 ARG 5 -23.760 -13.180 5.163 78 HH22 ARG 5 HH22 ARG 5 -24.992 -11.984 5.420 79 H GLN 6 H GLN 6 -17.134 -11.260 9.848 80 HA GLN 6 HA GLN 6 -16.532 -10.191 12.482 81 HB2 GLN 6 HB2 GLN 6 -15.333 -12.674 11.290 82 HB3 GLN 6 HB3 GLN 6 -14.416 -11.696 12.422 83 HG2 GLN 6 HG2 GLN 6 -17.132 -12.829 13.001 84 HG3 GLN 6 HG3 GLN 6 -15.622 -13.634 13.429 85 HE21 GLN 6 HE21 GLN 6 -17.773 -12.647 15.139 86 HE22 GLN 6 HE22 GLN 6 -17.044 -11.513 16.223 87 H ARG 7 H ARG 7 -14.669 -8.830 12.457 88 HA ARG 7 HA ARG 7 -14.305 -7.381 10.118 89 HB2 ARG 7 HB2 ARG 7 -13.891 -6.269 12.124 90 HB3 ARG 7 HB3 ARG 7 -12.895 -7.570 12.755 91 HG2 ARG 7 HG2 ARG 7 -11.460 -5.781 12.304 92 HG3 ARG 7 HG3 ARG 7 -11.200 -6.968 11.032 93 HD2 ARG 7 HD2 ARG 7 -12.541 -5.676 9.491 94 HD3 ARG 7 HD3 ARG 7 -12.954 -4.530 10.766 95 HE ARG 7 HE ARG 7 -10.143 -4.689 10.467 96 HH11 ARG 7 HH11 ARG 7 -12.981 -3.411 8.871 97 HH12 ARG 7 HH12 ARG 7 -12.123 -2.112 8.106 98 HH21 ARG 7 HH21 ARG 7 -9.009 -2.985 9.456 99 HH22 ARG 7 HH22 ARG 7 -9.863 -1.874 8.433 100 H SER 8 H SER 8 -12.307 -9.908 11.589 101 HA SER 8 HA SER 8 -10.108 -9.473 9.847 102 HB2 SER 8 HB2 SER 8 -9.975 -10.372 12.167 103 HB3 SER 8 HB3 SER 8 -10.624 -11.892 11.562 104 HG SER 8 HG SER 8 -8.701 -11.483 9.959 105 H LEU 9 H LEU 9 -12.992 -11.377 9.524 106 HA LEU 9 HA LEU 9 -11.737 -13.175 7.629 107 HB2 LEU 9 HB2 LEU 9 -13.894 -14.289 7.454 108 HB3 LEU 9 HB3 LEU 9 -13.376 -14.132 9.117 109 HG LEU 9 HG LEU 9 -14.968 -12.129 9.257 110 HD11 LEU 9 HD11 LEU 9 -16.850 -12.150 7.714 111 HD12 LEU 9 HD12 LEU 9 -16.082 -13.428 6.773 112 HD13 LEU 9 HD13 LEU 9 -15.344 -11.828 6.854 113 HD21 LEU 9 HD21 LEU 9 -16.134 -14.867 8.791 114 HD22 LEU 9 HD22 LEU 9 -16.827 -13.572 9.768 115 HD23 LEU 9 HD23 LEU 9 -15.328 -14.349 10.271 116 H SER 10 H SER 10 -13.588 -10.265 7.580 117 HA SER 10 HA SER 10 -14.166 -10.468 4.760 118 HB2 SER 10 HB2 SER 10 -14.563 -8.271 6.769 119 HB3 SER 10 HB3 SER 10 -14.967 -8.092 5.065 120 HG SER 10 HG SER 10 -16.706 -9.209 5.393 121 H THR 11 H THR 11 -11.848 -8.857 6.845 122 HA THR 11 HA THR 11 -10.667 -7.265 4.829 123 HB THR 11 HB THR 11 -8.690 -7.222 6.416 124 HG1 THR 11 HG1 THR 11 -9.455 -9.359 7.349 125 HG21 THR 11 HG21 THR 11 -11.424 -6.520 7.488 126 HG22 THR 11 HG22 THR 11 -10.405 -5.502 6.470 127 HG23 THR 11 HG23 THR 11 -9.897 -5.895 8.113 128 H SER 12 H SER 12 -9.714 -8.012 3.096 129 HA SER 12 HA SER 12 -8.862 -10.675 2.739 130 HB2 SER 12 HB2 SER 12 -7.790 -9.593 0.641 131 HB3 SER 12 HB3 SER 12 -9.547 -9.536 0.804 132 HG SER 12 HG SER 12 -8.437 -7.496 0.241 133 H GLY 13 H GLY 13 -7.310 -7.851 3.973 134 HA2 GLY 13 HA2 GLY 13 -5.347 -8.042 5.317 135 HA3 GLY 13 HA3 GLY 13 -4.858 -9.425 4.347 136 H GLU 14 H GLU 14 -6.001 -7.226 2.222 137 HA GLU 14 HA GLU 14 -3.329 -6.425 1.459 138 HB2 GLU 14 HB2 GLU 14 -4.343 -5.604 -0.572 139 HB3 GLU 14 HB3 GLU 14 -4.981 -7.202 -0.223 140 HG2 GLU 14 HG2 GLU 14 -6.942 -5.979 0.861 141 HG3 GLU 14 HG3 GLU 14 -6.333 -4.547 0.028 142 H SER 15 H SER 15 -2.650 -4.261 1.228 143 HA SER 15 HA SER 15 -4.077 -2.459 3.075 144 HB2 SER 15 HB2 SER 15 -1.092 -2.469 2.642 145 HB3 SER 15 HB3 SER 15 -1.999 -1.732 3.962 146 HG SER 15 HG SER 15 -1.842 -3.546 4.988 147 H LEU 16 H LEU 16 -1.540 -2.277 0.558 148 HA LEU 16 HA LEU 16 -1.928 0.470 0.063 149 HB2 LEU 16 HB2 LEU 16 -0.585 -1.710 -1.510 150 HB3 LEU 16 HB3 LEU 16 -0.631 -0.056 -2.070 151 HG LEU 16 HG LEU 16 1.486 -0.512 -1.062 152 HD11 LEU 16 HD11 LEU 16 1.578 1.235 0.659 153 HD12 LEU 16 HD12 LEU 16 -0.183 1.243 0.723 154 HD13 LEU 16 HD13 LEU 16 0.648 1.735 -0.753 155 HD21 LEU 16 HD21 LEU 16 -0.012 -1.257 1.434 156 HD22 LEU 16 HD22 LEU 16 1.737 -1.085 1.302 157 HD23 LEU 16 HD23 LEU 16 0.905 -2.349 0.395 158 H TYR 17 H TYR 17 -2.906 -2.389 -1.750 159 HA TYR 17 HA TYR 17 -4.274 -1.207 -3.837 160 HB2 TYR 17 HB2 TYR 17 -5.108 -3.710 -2.355 161 HB3 TYR 17 HB3 TYR 17 -5.585 -3.266 -3.990 162 HD1 TYR 17 HD2 TYR 17 -3.879 -3.267 -5.810 163 HD2 TYR 17 HD1 TYR 17 -3.023 -4.742 -1.914 164 HE1 TYR 17 HE2 TYR 17 -1.911 -4.444 -6.698 165 HE2 TYR 17 HE1 TYR 17 -1.060 -5.927 -2.789 166 HH TYR 17 HH TYR 17 -0.200 -6.783 -4.854 167 H HIS 18 H HIS 18 -5.314 -1.691 -0.522 168 HA HIS 18 HA HIS 18 -8.065 -1.138 -0.941 169 HB2 HIS 18 HB2 HIS 18 -7.136 -2.397 1.012 170 HB3 HIS 18 HB3 HIS 18 -6.483 -0.884 1.627 171 HD1 HIS 18 HD1 HIS 18 -7.986 0.438 3.120 172 HD2 HIS 18 HD2 HIS 18 -10.064 -2.380 0.875 173 HE1 HIS 18 HE1 HIS 18 -10.352 0.507 3.967 174 HE2 HIS 18 HE2 HIS 18 -11.542 -1.330 2.722 175 H VAL 19 H VAL 19 -5.272 0.880 -0.509 176 HA VAL 19 HA VAL 19 -6.758 3.203 0.335 177 HB VAL 19 HB VAL 19 -4.785 4.203 0.724 178 HG11 VAL 19 HG11 VAL 19 -4.236 2.161 1.727 179 HG12 VAL 19 HG12 VAL 19 -2.798 2.624 0.813 180 HG13 VAL 19 HG13 VAL 19 -3.890 1.398 0.178 181 HG21 VAL 19 HG21 VAL 19 -2.810 4.017 -0.917 182 HG22 VAL 19 HG22 VAL 19 -4.233 4.931 -1.416 183 HG23 VAL 19 HG23 VAL 19 -3.983 3.285 -2.020 184 H LEU 20 H LEU 20 -5.695 1.775 -2.623 185 HA LEU 20 HA LEU 20 -6.295 4.173 -4.168 186 HB2 LEU 20 HB2 LEU 20 -4.889 1.600 -4.729 187 HB3 LEU 20 HB3 LEU 20 -5.503 2.551 -6.071 188 HG LEU 20 HG LEU 20 -3.515 3.501 -4.003 189 HD11 LEU 20 HD11 LEU 20 -2.522 1.884 -5.511 190 HD12 LEU 20 HD12 LEU 20 -1.931 3.506 -5.879 191 HD13 LEU 20 HD13 LEU 20 -3.160 2.760 -6.903 192 HD21 LEU 20 HD21 LEU 20 -4.725 4.833 -6.418 193 HD22 LEU 20 HD22 LEU 20 -3.280 5.419 -5.586 194 HD23 LEU 20 HD23 LEU 20 -4.820 5.354 -4.731 195 H GLY 21 H GLY 21 -7.792 1.373 -3.142 196 HA2 GLY 21 HA2 GLY 21 -9.994 0.754 -3.406 197 HA3 GLY 21 HA3 GLY 21 -10.182 2.038 -4.588 198 H LEU 22 H LEU 22 -7.550 0.100 -5.359 199 HA LEU 22 HA LEU 22 -9.189 -1.432 -7.250 200 HB2 LEU 22 HB2 LEU 22 -6.957 -1.746 -8.457 201 HB3 LEU 22 HB3 LEU 22 -7.732 -0.184 -8.559 202 HG LEU 22 HG LEU 22 -6.174 0.555 -6.680 203 HD11 LEU 22 HD11 LEU 22 -4.089 -0.683 -6.453 204 HD12 LEU 22 HD12 LEU 22 -4.724 -1.958 -7.493 205 HD13 LEU 22 HD13 LEU 22 -5.465 -1.650 -5.922 206 HD21 LEU 22 HD21 LEU 22 -5.907 1.253 -8.982 207 HD22 LEU 22 HD22 LEU 22 -5.024 -0.231 -9.352 208 HD23 LEU 22 HD23 LEU 22 -4.341 0.952 -8.235 209 H ASP 23 H ASP 23 -8.261 -3.587 -7.847 210 HA ASP 23 HA ASP 23 -7.608 -5.000 -5.373 211 HB2 ASP 23 HB2 ASP 23 -9.474 -5.688 -7.007 212 HB3 ASP 23 HB3 ASP 23 -8.181 -6.275 -8.027 213 H LYS 24 H LYS 24 -6.374 -7.165 -6.293 214 HA LYS 24 HA LYS 24 -3.674 -6.123 -6.643 215 HB2 LYS 24 HB2 LYS 24 -4.552 -8.970 -6.170 216 HB3 LYS 24 HB3 LYS 24 -2.983 -8.253 -5.829 217 HG2 LYS 24 HG2 LYS 24 -3.684 -7.256 -3.920 218 HG3 LYS 24 HG3 LYS 24 -5.328 -7.059 -4.525 219 HD2 LYS 24 HD2 LYS 24 -4.306 -9.800 -3.971 220 HD3 LYS 24 HD3 LYS 24 -4.823 -8.780 -2.625 221 HE2 LYS 24 HE2 LYS 24 -6.541 -9.211 -5.052 222 HE3 LYS 24 HE3 LYS 24 -6.580 -10.316 -3.677 223 HZ1 LYS 24 HZ1 LYS 24 -6.951 -7.407 -3.297 224 HZ2 LYS 24 HZ2 LYS 24 -7.448 -8.681 -2.300 225 HZ3 LYS 24 HZ3 LYS 24 -8.247 -8.392 -3.764 226 H ASN 25 H ASN 25 -5.856 -6.495 -8.725 227 HA ASN 25 HA ASN 25 -4.373 -8.174 -10.625 228 HB2 ASN 25 HB2 ASN 25 -7.315 -7.555 -10.361 229 HB3 ASN 25 HB3 ASN 25 -6.629 -8.243 -11.831 230 HD21 ASN 25 HD21 ASN 25 -7.163 -8.772 -8.392 231 HD22 ASN 25 HD22 ASN 25 -7.051 -10.496 -8.473 232 H ALA 26 H ALA 26 -4.853 -5.099 -9.716 233 HA ALA 26 HA ALA 26 -5.257 -3.795 -12.221 234 HB1 ALA 26 HB1 ALA 26 -5.786 -2.604 -10.189 235 HB2 ALA 26 HB2 ALA 26 -4.466 -1.765 -11.025 236 HB3 ALA 26 HB3 ALA 26 -4.124 -2.780 -9.615 237 H THR 27 H THR 27 -3.717 -2.679 -13.439 238 HA THR 27 HA THR 27 -1.003 -3.777 -13.210 239 HB THR 27 HB THR 27 -2.136 -4.151 -15.383 240 HG1 THR 27 HG1 THR 27 -0.413 -3.185 -16.681 241 HG21 THR 27 HG21 THR 27 -3.535 -2.151 -15.443 242 HG22 THR 27 HG22 THR 27 -2.537 -2.261 -16.893 243 HG23 THR 27 HG23 THR 27 -2.098 -1.141 -15.604 244 H SER 28 H SER 28 0.690 -2.121 -14.092 245 HA SER 28 HA SER 28 1.060 -0.118 -12.267 246 HB2 SER 28 HB2 SER 28 2.014 -0.004 -15.132 247 HB3 SER 28 HB3 SER 28 2.788 0.715 -13.720 248 HG SER 28 HG SER 28 3.473 -1.220 -13.070 249 H ASP 29 H ASP 29 -0.583 0.026 -15.340 250 HA ASP 29 HA ASP 29 -0.957 2.769 -15.572 251 HB2 ASP 29 HB2 ASP 29 -1.417 1.144 -17.375 252 HB3 ASP 29 HB3 ASP 29 -2.829 0.581 -16.490 253 H ASP 30 H ASP 30 -3.097 0.348 -13.958 254 HA ASP 30 HA ASP 30 -5.073 2.383 -13.456 255 HB2 ASP 30 HB2 ASP 30 -5.492 -0.136 -13.801 256 HB3 ASP 30 HB3 ASP 30 -4.988 -0.311 -12.119 257 H ILE 31 H ILE 31 -2.468 0.849 -11.720 258 HA ILE 31 HA ILE 31 -3.028 1.836 -9.144 259 HB ILE 31 HB ILE 31 -0.437 1.046 -10.471 260 HG12 ILE 31 HG12 ILE 31 -1.820 -0.490 -8.315 261 HG13 ILE 31 HG13 ILE 31 -2.490 -0.542 -9.942 262 HG21 ILE 31 HG21 ILE 31 -0.936 1.551 -7.542 263 HG22 ILE 31 HG22 ILE 31 0.009 2.581 -8.618 264 HG23 ILE 31 HG23 ILE 31 0.558 0.943 -8.260 265 HD11 ILE 31 HD11 ILE 31 0.339 -1.263 -9.230 266 HD12 ILE 31 HD12 ILE 31 -0.439 -1.429 -10.807 267 HD13 ILE 31 HD13 ILE 31 -0.982 -2.414 -9.444 268 H LYS 32 H LYS 32 -1.383 3.233 -11.901 269 HA LYS 32 HA LYS 32 -0.556 5.571 -10.450 270 HB2 LYS 32 HB2 LYS 32 -0.496 4.886 -13.385 271 HB3 LYS 32 HB3 LYS 32 0.130 6.390 -12.719 272 HG2 LYS 32 HG2 LYS 32 1.793 5.236 -11.469 273 HG3 LYS 32 HG3 LYS 32 1.072 3.670 -11.851 274 HD2 LYS 32 HD2 LYS 32 1.573 4.071 -14.242 275 HD3 LYS 32 HD3 LYS 32 2.383 5.572 -13.790 276 HE2 LYS 32 HE2 LYS 32 3.153 2.896 -12.657 277 HE3 LYS 32 HE3 LYS 32 3.864 3.545 -14.135 278 HZ1 LYS 32 HZ1 LYS 32 4.001 4.752 -11.423 279 HZ2 LYS 32 HZ2 LYS 32 4.573 5.499 -12.826 280 HZ3 LYS 32 HZ3 LYS 32 5.275 4.059 -12.290 281 H LYS 33 H LYS 33 -3.168 4.780 -12.726 282 HA LYS 33 HA LYS 33 -4.225 7.378 -12.909 283 HB2 LYS 33 HB2 LYS 33 -5.691 4.743 -13.093 284 HB3 LYS 33 HB3 LYS 33 -6.298 6.298 -13.650 285 HG2 LYS 33 HG2 LYS 33 -4.287 6.397 -15.162 286 HG3 LYS 33 HG3 LYS 33 -3.996 4.714 -14.737 287 HD2 LYS 33 HD2 LYS 33 -6.533 5.771 -15.969 288 HD3 LYS 33 HD3 LYS 33 -5.240 4.960 -16.850 289 HE2 LYS 33 HE2 LYS 33 -5.575 2.968 -15.415 290 HE3 LYS 33 HE3 LYS 33 -6.940 3.782 -14.654 291 HZ1 LYS 33 HZ1 LYS 33 -7.637 2.261 -16.410 292 HZ2 LYS 33 HZ2 LYS 33 -6.732 3.129 -17.540 293 HZ3 LYS 33 HZ3 LYS 33 -8.057 3.855 -16.783 294 H SER 34 H SER 34 -5.080 4.694 -10.724 295 HA SER 34 HA SER 34 -7.034 6.020 -9.242 296 HB2 SER 34 HB2 SER 34 -6.413 4.396 -7.412 297 HB3 SER 34 HB3 SER 34 -6.791 3.661 -8.961 298 HG SER 34 HG SER 34 -4.730 3.147 -9.264 299 H TYR 35 H TYR 35 -3.522 5.915 -8.852 300 HA TYR 35 HA TYR 35 -3.248 7.377 -6.534 301 HB2 TYR 35 HB2 TYR 35 -1.260 6.518 -7.534 302 HB3 TYR 35 HB3 TYR 35 -1.552 7.396 -9.034 303 HD1 TYR 35 HD1 TYR 35 -1.055 8.104 -5.380 304 HD2 TYR 35 HD2 TYR 35 -0.343 9.335 -9.394 305 HE1 TYR 35 HE1 TYR 35 0.289 9.981 -4.558 306 HE2 TYR 35 HE2 TYR 35 1.011 11.216 -8.575 307 HH TYR 35 HH TYR 35 1.235 12.568 -6.538 308 H ARG 36 H ARG 36 -3.179 8.772 -9.830 309 HA ARG 36 HA ARG 36 -3.431 11.422 -9.265 310 HB2 ARG 36 HB2 ARG 36 -4.911 9.905 -11.420 311 HB3 ARG 36 HB3 ARG 36 -4.643 11.642 -11.401 312 HG2 ARG 36 HG2 ARG 36 -2.480 9.554 -11.508 313 HG3 ARG 36 HG3 ARG 36 -3.094 10.468 -12.889 314 HD2 ARG 36 HD2 ARG 36 -1.812 11.659 -10.437 315 HD3 ARG 36 HD3 ARG 36 -1.014 11.403 -11.985 316 HE ARG 36 HE ARG 36 -3.228 12.896 -12.586 317 HH11 ARG 36 HH11 ARG 36 -0.441 13.292 -10.510 318 HH12 ARG 36 HH12 ARG 36 -0.499 15.025 -10.548 319 HH21 ARG 36 HH21 ARG 36 -3.315 15.182 -12.630 320 HH22 ARG 36 HH22 ARG 36 -2.135 16.099 -11.748 321 H LYS 37 H LYS 37 -6.182 9.268 -9.818 322 HA LYS 37 HA LYS 37 -8.265 10.995 -9.458 323 HB2 LYS 37 HB2 LYS 37 -8.053 8.086 -8.706 324 HB3 LYS 37 HB3 LYS 37 -9.570 8.971 -8.770 325 HG2 LYS 37 HG2 LYS 37 -9.499 9.177 -11.081 326 HG3 LYS 37 HG3 LYS 37 -7.766 8.857 -11.150 327 HD2 LYS 37 HD2 LYS 37 -9.394 6.999 -11.895 328 HD3 LYS 37 HD3 LYS 37 -8.047 6.565 -10.839 329 HE2 LYS 37 HE2 LYS 37 -9.503 6.611 -8.910 330 HE3 LYS 37 HE3 LYS 37 -10.850 7.171 -9.900 331 HZ1 LYS 37 HZ1 LYS 37 -9.481 4.550 -10.177 332 HZ2 LYS 37 HZ2 LYS 37 -10.782 5.088 -11.111 333 HZ3 LYS 37 HZ3 LYS 37 -10.993 4.804 -9.459 334 H LEU 38 H LEU 38 -6.537 9.231 -6.920 335 HA LEU 38 HA LEU 38 -8.270 10.376 -4.881 336 HB2 LEU 38 HB2 LEU 38 -6.010 8.402 -4.840 337 HB3 LEU 38 HB3 LEU 38 -6.761 9.011 -3.377 338 HG LEU 38 HG LEU 38 -8.438 7.750 -5.513 339 HD11 LEU 38 HD11 LEU 38 -8.173 5.598 -4.371 340 HD12 LEU 38 HD12 LEU 38 -6.925 6.306 -3.345 341 HD13 LEU 38 HD13 LEU 38 -6.661 6.161 -5.083 342 HD21 LEU 38 HD21 LEU 38 -9.552 8.942 -3.701 343 HD22 LEU 38 HD22 LEU 38 -8.691 7.961 -2.515 344 HD23 LEU 38 HD23 LEU 38 -9.861 7.210 -3.600 345 H ALA 39 H ALA 39 -5.085 10.787 -6.157 346 HA ALA 39 HA ALA 39 -3.738 11.987 -4.058 347 HB1 ALA 39 HB1 ALA 39 -2.229 12.913 -5.722 348 HB2 ALA 39 HB2 ALA 39 -3.402 12.564 -6.992 349 HB3 ALA 39 HB3 ALA 39 -2.644 11.241 -6.103 350 H LEU 40 H LEU 40 -5.682 13.607 -6.592 351 HA LEU 40 HA LEU 40 -5.121 16.153 -5.411 352 HB2 LEU 40 HB2 LEU 40 -7.309 16.796 -6.830 353 HB3 LEU 40 HB3 LEU 40 -5.695 16.768 -7.483 354 HG LEU 40 HG LEU 40 -7.495 15.812 -8.930 355 HD11 LEU 40 HD11 LEU 40 -5.136 14.105 -8.206 356 HD12 LEU 40 HD12 LEU 40 -5.239 15.335 -9.466 357 HD13 LEU 40 HD13 LEU 40 -6.151 13.830 -9.621 358 HD21 LEU 40 HD21 LEU 40 -7.415 13.488 -7.026 359 HD22 LEU 40 HD22 LEU 40 -8.316 13.592 -8.537 360 HD23 LEU 40 HD23 LEU 40 -8.748 14.631 -7.179 361 H LYS 41 H LYS 41 -7.936 14.028 -5.398 362 HA LYS 41 HA LYS 41 -9.678 15.358 -3.786 363 HB2 LYS 41 HB2 LYS 41 -10.212 13.185 -4.677 364 HB3 LYS 41 HB3 LYS 41 -8.939 12.430 -3.729 365 HG2 LYS 41 HG2 LYS 41 -10.154 13.051 -1.671 366 HG3 LYS 41 HG3 LYS 41 -11.461 13.685 -2.669 367 HD2 LYS 41 HD2 LYS 41 -11.780 11.469 -3.654 368 HD3 LYS 41 HD3 LYS 41 -10.470 10.838 -2.656 369 HE2 LYS 41 HE2 LYS 41 -12.624 10.302 -1.666 370 HE3 LYS 41 HE3 LYS 41 -11.725 11.417 -0.641 371 HZ1 LYS 41 HZ1 LYS 41 -13.856 12.242 -2.533 372 HZ2 LYS 41 HZ2 LYS 41 -13.071 13.221 -1.398 373 HZ3 LYS 41 HZ3 LYS 41 -14.094 11.982 -0.881 374 H TYR 42 H TYR 42 -6.877 13.473 -2.716 375 HA TYR 42 HA TYR 42 -7.242 14.551 -0.008 376 HB2 TYR 42 HB2 TYR 42 -5.719 12.156 -1.035 377 HB3 TYR 42 HB3 TYR 42 -5.555 12.759 0.614 378 HD1 TYR 42 HD2 TYR 42 -7.573 12.719 2.132 379 HD2 TYR 42 HD1 TYR 42 -7.553 10.825 -1.674 380 HE1 TYR 42 HE2 TYR 42 -9.543 11.400 2.781 381 HE2 TYR 42 HE1 TYR 42 -9.518 9.506 -1.040 382 HH TYR 42 HH TYR 42 -11.408 10.206 1.686 383 H HIS 43 H HIS 43 -6.077 16.033 -2.302 384 HA HIS 43 HA HIS 43 -3.268 16.146 -1.977 385 HB2 HIS 43 HB2 HIS 43 -4.983 17.116 -3.840 386 HB3 HIS 43 HB3 HIS 43 -4.621 18.586 -2.941 387 HD1 HIS 43 HD1 HIS 43 -2.683 19.820 -3.870 388 HD2 HIS 43 HD2 HIS 43 -2.383 15.729 -4.542 389 HE1 HIS 43 HE1 HIS 43 -0.565 19.504 -5.188 390 HE2 HIS 43 HE2 HIS 43 -0.496 17.043 -5.723 391 HA PRO 44 HA PRO 44 -2.522 17.904 1.869 392 HB2 PRO 44 HB2 PRO 44 -0.897 20.081 1.018 393 HB3 PRO 44 HB3 PRO 44 -0.383 18.508 1.614 394 HG2 PRO 44 HG2 PRO 44 -0.670 19.476 -1.163 395 HG3 PRO 44 HG3 PRO 44 0.418 18.242 -0.504 396 HD2 PRO 44 HD2 PRO 44 -1.704 17.589 -1.984 397 HD3 PRO 44 HD3 PRO 44 -1.205 16.583 -0.609 398 H ASP 45 H ASP 45 -3.634 20.273 -0.533 399 HA ASP 45 HA ASP 45 -4.160 22.154 1.603 400 HB2 ASP 45 HB2 ASP 45 -3.215 23.167 -0.331 401 HB3 ASP 45 HB3 ASP 45 -4.380 22.385 -1.392 402 H LYS 46 H LYS 46 -5.861 19.794 -0.116 403 HA LYS 46 HA LYS 46 -8.452 20.913 -0.231 404 HB2 LYS 46 HB2 LYS 46 -7.549 18.044 -0.006 405 HB3 LYS 46 HB3 LYS 46 -9.148 18.557 -0.492 406 HG2 LYS 46 HG2 LYS 46 -7.130 19.838 -2.084 407 HG3 LYS 46 HG3 LYS 46 -6.954 18.085 -2.116 408 HD2 LYS 46 HD2 LYS 46 -9.273 17.834 -2.794 409 HD3 LYS 46 HD3 LYS 46 -9.518 19.578 -2.691 410 HE2 LYS 46 HE2 LYS 46 -7.410 18.418 -4.476 411 HE3 LYS 46 HE3 LYS 46 -9.087 18.488 -5.008 412 HZ1 LYS 46 HZ1 LYS 46 -7.444 20.813 -4.140 413 HZ2 LYS 46 HZ2 LYS 46 -9.042 20.885 -4.686 414 HZ3 LYS 46 HZ3 LYS 46 -7.809 20.416 -5.743 415 H ASN 47 H ASN 47 -6.628 19.758 2.335 416 HA ASN 47 HA ASN 47 -8.939 19.064 4.007 417 HB2 ASN 47 HB2 ASN 47 -6.920 17.844 5.251 418 HB3 ASN 47 HB3 ASN 47 -7.739 17.101 3.878 419 HD21 ASN 47 HD21 ASN 47 -6.822 17.429 1.800 420 HD22 ASN 47 HD22 ASN 47 -5.141 17.738 1.587 421 HA PRO 48 HA PRO 48 -7.751 22.204 6.990 422 HB2 PRO 48 HB2 PRO 48 -8.253 20.204 9.092 423 HB3 PRO 48 HB3 PRO 48 -9.021 21.771 8.825 424 HG2 PRO 48 HG2 PRO 48 -10.334 19.500 8.330 425 HG3 PRO 48 HG3 PRO 48 -10.521 20.911 7.270 426 HD2 PRO 48 HD2 PRO 48 -8.850 18.449 6.870 427 HD3 PRO 48 HD3 PRO 48 -9.890 19.303 5.710 428 H ASP 49 H ASP 49 -6.788 21.580 9.564 429 HA ASP 49 HA ASP 49 -4.008 21.400 8.916 430 HB2 ASP 49 HB2 ASP 49 -5.060 22.924 10.618 431 HB3 ASP 49 HB3 ASP 49 -5.261 21.512 11.651 432 H ASN 50 H ASN 50 -6.414 19.282 10.271 433 HA ASN 50 HA ASN 50 -4.830 17.392 11.552 434 HB2 ASN 50 HB2 ASN 50 -6.676 15.815 11.188 435 HB3 ASN 50 HB3 ASN 50 -7.280 17.375 11.699 436 HD21 ASN 50 HD21 ASN 50 -8.685 15.287 10.372 437 HD22 ASN 50 HD22 ASN 50 -9.248 15.926 8.867 438 HA PRO 51 HA PRO 51 -2.669 15.489 8.173 439 HB2 PRO 51 HB2 PRO 51 -1.587 13.418 9.480 440 HB3 PRO 51 HB3 PRO 51 -1.089 15.080 9.821 441 HG2 PRO 51 HG2 PRO 51 -2.968 13.316 11.341 442 HG3 PRO 51 HG3 PRO 51 -1.710 14.403 11.955 443 HD2 PRO 51 HD2 PRO 51 -4.385 15.035 11.856 444 HD3 PRO 51 HD3 PRO 51 -3.076 16.233 11.851 445 H GLU 52 H GLU 52 -5.561 14.726 8.822 446 HA GLU 52 HA GLU 52 -5.850 11.921 8.732 447 HB2 GLU 52 HB2 GLU 52 -7.552 13.490 9.586 448 HB3 GLU 52 HB3 GLU 52 -7.780 14.103 7.953 449 HG2 GLU 52 HG2 GLU 52 -8.625 11.984 7.230 450 HG3 GLU 52 HG3 GLU 52 -8.293 11.263 8.800 451 H ALA 53 H ALA 53 -6.304 14.421 6.272 452 HA ALA 53 HA ALA 53 -6.775 12.508 4.181 453 HB1 ALA 53 HB1 ALA 53 -7.864 14.703 4.229 454 HB2 ALA 53 HB2 ALA 53 -6.934 14.468 2.747 455 HB3 ALA 53 HB3 ALA 53 -6.296 15.483 4.040 456 H ALA 54 H ALA 54 -4.088 14.157 5.552 457 HA ALA 54 HA ALA 54 -2.245 13.849 3.397 458 HB1 ALA 54 HB1 ALA 54 -1.878 15.513 5.126 459 HB2 ALA 54 HB2 ALA 54 -0.540 14.361 5.102 460 HB3 ALA 54 HB3 ALA 54 -1.780 14.247 6.352 461 H ASP 55 H ASP 55 -3.101 11.960 6.243 462 HA ASP 55 HA ASP 55 -1.227 9.887 6.032 463 HB2 ASP 55 HB2 ASP 55 -3.142 10.376 7.781 464 HB3 ASP 55 HB3 ASP 55 -4.066 9.336 6.725 465 H LYS 56 H LYS 56 -4.451 10.265 4.789 466 HA LYS 56 HA LYS 56 -4.719 8.007 3.220 467 HB2 LYS 56 HB2 LYS 56 -5.886 10.639 3.496 468 HB3 LYS 56 HB3 LYS 56 -5.993 10.031 1.844 469 HG2 LYS 56 HG2 LYS 56 -7.121 8.836 4.353 470 HG3 LYS 56 HG3 LYS 56 -7.972 9.462 2.946 471 HD2 LYS 56 HD2 LYS 56 -6.314 6.950 3.097 472 HD3 LYS 56 HD3 LYS 56 -8.058 7.071 2.891 473 HE2 LYS 56 HE2 LYS 56 -7.734 8.128 0.714 474 HE3 LYS 56 HE3 LYS 56 -5.984 8.012 0.918 475 HZ1 LYS 56 HZ1 LYS 56 -7.906 5.764 0.685 476 HZ2 LYS 56 HZ2 LYS 56 -6.278 5.567 1.108 477 HZ3 LYS 56 HZ3 LYS 56 -6.693 6.188 -0.417 478 H PHE 57 H PHE 57 -3.766 11.264 2.160 479 HA PHE 57 HA PHE 57 -2.929 10.637 -0.384 480 HB2 PHE 57 HB2 PHE 57 -3.028 12.948 0.594 481 HB3 PHE 57 HB3 PHE 57 -1.479 12.606 1.371 482 HD1 PHE 57 HD1 PHE 57 -3.187 13.076 -1.830 483 HD2 PHE 57 HD2 PHE 57 0.563 12.583 0.109 484 HE1 PHE 57 HE1 PHE 57 -2.041 13.718 -3.896 485 HE2 PHE 57 HE2 PHE 57 1.723 13.250 -1.953 486 HZ PHE 57 HZ PHE 57 0.420 13.818 -3.966 487 H LYS 58 H LYS 58 -1.188 10.302 2.604 488 HA LYS 58 HA LYS 58 1.339 9.680 1.653 489 HB2 LYS 58 HB2 LYS 58 0.652 10.158 3.993 490 HB3 LYS 58 HB3 LYS 58 -0.024 8.541 4.091 491 HG2 LYS 58 HG2 LYS 58 2.192 7.598 3.723 492 HG3 LYS 58 HG3 LYS 58 2.873 9.222 3.619 493 HD2 LYS 58 HD2 LYS 58 1.618 7.864 5.992 494 HD3 LYS 58 HD3 LYS 58 3.262 8.486 5.836 495 HE2 LYS 58 HE2 LYS 58 0.773 10.186 5.773 496 HE3 LYS 58 HE3 LYS 58 1.758 9.916 7.213 497 HZ1 LYS 58 HZ1 LYS 58 2.704 11.171 4.690 498 HZ2 LYS 58 HZ2 LYS 58 3.631 10.939 6.086 499 HZ3 LYS 58 HZ3 LYS 58 2.315 11.997 6.113 500 H GLU 59 H GLU 59 -1.364 7.495 2.401 501 HA GLU 59 HA GLU 59 0.055 5.163 1.560 502 HB2 GLU 59 HB2 GLU 59 -2.293 4.144 1.630 503 HB3 GLU 59 HB3 GLU 59 -1.584 4.702 3.131 504 HG2 GLU 59 HG2 GLU 59 -2.884 6.717 3.029 505 HG3 GLU 59 HG3 GLU 59 -3.536 6.249 1.464 506 H ILE 60 H ILE 60 -2.163 7.406 -0.087 507 HA ILE 60 HA ILE 60 -2.463 5.896 -2.472 508 HB ILE 60 HB ILE 60 -2.169 8.893 -2.482 509 HG12 ILE 60 HG12 ILE 60 -4.779 7.466 -2.010 510 HG13 ILE 60 HG13 ILE 60 -3.804 8.108 -0.691 511 HG21 ILE 60 HG21 ILE 60 -2.441 7.312 -4.553 512 HG22 ILE 60 HG22 ILE 60 -3.260 8.871 -4.480 513 HG23 ILE 60 HG23 ILE 60 -4.144 7.389 -4.107 514 HD11 ILE 60 HD11 ILE 60 -3.944 10.349 -1.775 515 HD12 ILE 60 HD12 ILE 60 -5.497 9.710 -1.242 516 HD13 ILE 60 HD13 ILE 60 -5.056 9.659 -2.950 517 H ASN 61 H ASN 61 -0.220 8.478 -1.592 518 HA ASN 61 HA ASN 61 1.421 8.435 -3.851 519 HB2 ASN 61 HB2 ASN 61 1.336 10.219 -2.082 520 HB3 ASN 61 HB3 ASN 61 2.180 9.117 -0.995 521 HD21 ASN 61 HD21 ASN 61 3.913 10.459 -0.753 522 HD22 ASN 61 HD22 ASN 61 5.075 10.732 -2.006 523 H ASN 62 H ASN 62 1.377 6.541 -0.944 524 HA ASN 62 HA ASN 62 3.848 5.192 -1.281 525 HB2 ASN 62 HB2 ASN 62 1.811 5.312 0.640 526 HB3 ASN 62 HB3 ASN 62 1.862 3.632 0.119 527 HD21 ASN 62 HD21 ASN 62 3.546 2.389 0.656 528 HD22 ASN 62 HD22 ASN 62 4.834 2.894 1.697 529 H ALA 63 H ALA 63 0.522 3.988 -1.662 530 HA ALA 63 HA ALA 63 1.133 1.532 -2.787 531 HB1 ALA 63 HB1 ALA 63 -1.189 1.503 -3.574 532 HB2 ALA 63 HB2 ALA 63 -1.321 3.228 -3.226 533 HB3 ALA 63 HB3 ALA 63 -1.064 2.079 -1.912 534 H HIS 64 H HIS 64 0.753 4.654 -4.316 535 HA HIS 64 HA HIS 64 0.608 4.057 -6.981 536 HB2 HIS 64 HB2 HIS 64 0.532 6.329 -6.240 537 HB3 HIS 64 HB3 HIS 64 2.156 6.229 -5.568 538 HD1 HIS 64 HD1 HIS 64 3.638 7.641 -6.939 539 HD2 HIS 64 HD2 HIS 64 0.901 5.572 -9.278 540 HE1 HIS 64 HE1 HIS 64 4.180 8.256 -9.309 541 HE2 HIS 64 HE2 HIS 64 2.377 7.167 -10.685 542 H ALA 65 H ALA 65 3.502 3.984 -4.936 543 HA ALA 65 HA ALA 65 5.137 3.205 -7.220 544 HB1 ALA 65 HB1 ALA 65 6.036 4.832 -5.616 545 HB2 ALA 65 HB2 ALA 65 7.023 3.373 -5.699 546 HB3 ALA 65 HB3 ALA 65 5.927 3.620 -4.339 547 H ILE 66 H ILE 66 4.076 1.953 -4.102 548 HA ILE 66 HA ILE 66 5.498 -0.355 -3.884 549 HB ILE 66 HB ILE 66 2.573 -0.170 -3.167 550 HG12 ILE 66 HG12 ILE 66 3.525 1.744 -2.155 551 HG13 ILE 66 HG13 ILE 66 3.491 0.524 -0.891 552 HG21 ILE 66 HG21 ILE 66 3.529 -2.410 -3.008 553 HG22 ILE 66 HG22 ILE 66 3.133 -1.768 -1.415 554 HG23 ILE 66 HG23 ILE 66 4.809 -1.798 -1.961 555 HD11 ILE 66 HD11 ILE 66 5.556 1.747 -0.824 556 HD12 ILE 66 HD12 ILE 66 5.877 1.355 -2.516 557 HD13 ILE 66 HD13 ILE 66 5.867 0.077 -1.298 558 H LEU 67 H LEU 67 2.325 -0.100 -5.532 559 HA LEU 67 HA LEU 67 2.240 -2.920 -5.948 560 HB2 LEU 67 HB2 LEU 67 0.535 -0.695 -7.027 561 HB3 LEU 67 HB3 LEU 67 0.258 -2.378 -7.413 562 HG LEU 67 HG LEU 67 -1.040 -2.544 -5.633 563 HD11 LEU 67 HD11 LEU 67 0.928 -3.368 -4.473 564 HD12 LEU 67 HD12 LEU 67 -0.133 -2.486 -3.376 565 HD13 LEU 67 HD13 LEU 67 1.339 -1.724 -3.982 566 HD21 LEU 67 HD21 LEU 67 -1.538 -0.640 -4.215 567 HD22 LEU 67 HD22 LEU 67 -1.460 -0.163 -5.913 568 HD23 LEU 67 HD23 LEU 67 -0.115 0.203 -4.830 569 H THR 68 H THR 68 3.307 -0.230 -7.933 570 HA THR 68 HA THR 68 3.563 -2.029 -10.211 571 HB THR 68 HB THR 68 2.644 0.144 -10.749 572 HG1 THR 68 HG1 THR 68 5.225 -0.480 -11.710 573 HG21 THR 68 HG21 THR 68 3.633 1.447 -8.946 574 HG22 THR 68 HG22 THR 68 3.942 2.193 -10.512 575 HG23 THR 68 HG23 THR 68 5.223 1.295 -9.694 576 H ASP 69 H ASP 69 5.295 -1.454 -7.560 577 HA ASP 69 HA ASP 69 7.914 -1.661 -8.867 578 HB2 ASP 69 HB2 ASP 69 7.647 -0.099 -6.927 579 HB3 ASP 69 HB3 ASP 69 7.248 -1.493 -5.917 580 H ALA 70 H ALA 70 9.216 -3.488 -8.573 581 HA ALA 70 HA ALA 70 7.749 -5.923 -8.342 582 HB1 ALA 70 HB1 ALA 70 9.600 -5.756 -9.897 583 HB2 ALA 70 HB2 ALA 70 9.909 -7.026 -8.712 584 HB3 ALA 70 HB3 ALA 70 10.719 -5.466 -8.566 585 H THR 71 H THR 71 10.168 -4.300 -6.320 586 HA THR 71 HA THR 71 10.254 -6.531 -4.496 587 HB THR 71 HB THR 71 11.556 -3.814 -4.320 588 HG1 THR 71 HG1 THR 71 12.454 -5.003 -5.988 589 HG21 THR 71 HG21 THR 71 11.971 -6.311 -2.679 590 HG22 THR 71 HG22 THR 71 11.216 -4.817 -2.125 591 HG23 THR 71 HG23 THR 71 12.927 -4.832 -2.562 592 H LYS 72 H LYS 72 9.080 -3.151 -4.343 593 HA LYS 72 HA LYS 72 8.343 -3.211 -1.636 594 HB2 LYS 72 HB2 LYS 72 7.731 -1.480 -3.940 595 HB3 LYS 72 HB3 LYS 72 6.509 -1.493 -2.685 596 HG2 LYS 72 HG2 LYS 72 7.800 0.224 -1.955 597 HG3 LYS 72 HG3 LYS 72 8.579 -1.114 -1.114 598 HD2 LYS 72 HD2 LYS 72 10.298 0.208 -2.060 599 HD3 LYS 72 HD3 LYS 72 10.170 -1.250 -3.047 600 HE2 LYS 72 HE2 LYS 72 8.921 -0.064 -4.722 601 HE3 LYS 72 HE3 LYS 72 8.886 1.387 -3.723 602 HZ1 LYS 72 HZ1 LYS 72 10.583 1.493 -5.464 603 HZ2 LYS 72 HZ2 LYS 72 11.349 0.126 -4.825 604 HZ3 LYS 72 HZ3 LYS 72 11.277 1.555 -3.927 605 H ARG 73 H ARG 73 6.752 -4.393 -4.472 606 HA ARG 73 HA ARG 73 4.270 -4.927 -3.071 607 HB2 ARG 73 HB2 ARG 73 4.110 -4.348 -5.405 608 HB3 ARG 73 HB3 ARG 73 5.262 -5.600 -5.844 609 HG2 ARG 73 HG2 ARG 73 3.677 -7.313 -5.205 610 HG3 ARG 73 HG3 ARG 73 2.515 -6.076 -4.714 611 HD2 ARG 73 HD2 ARG 73 2.495 -5.209 -7.013 612 HD3 ARG 73 HD3 ARG 73 3.614 -6.480 -7.492 613 HE ARG 73 HE ARG 73 1.527 -7.843 -6.421 614 HH11 ARG 73 HH11 ARG 73 1.777 -5.359 -8.870 615 HH12 ARG 73 HH12 ARG 73 0.406 -5.925 -9.770 616 HH21 ARG 73 HH21 ARG 73 -0.305 -8.578 -7.588 617 HH22 ARG 73 HH22 ARG 73 -0.788 -7.748 -9.033 618 H ASN 74 H ASN 74 7.093 -6.579 -4.216 619 HA ASN 74 HA ASN 74 6.456 -9.210 -3.739 620 HB2 ASN 74 HB2 ASN 74 8.517 -8.431 -4.868 621 HB3 ASN 74 HB3 ASN 74 9.131 -7.880 -3.311 622 HD21 ASN 74 HD21 ASN 74 9.632 -9.408 -1.732 623 HD22 ASN 74 HD22 ASN 74 10.054 -11.018 -2.168 624 H ILE 75 H ILE 75 8.367 -7.177 -1.447 625 HA ILE 75 HA ILE 75 8.185 -9.174 0.568 626 HB ILE 75 HB ILE 75 9.317 -7.796 2.057 627 HG12 ILE 75 HG12 ILE 75 7.788 -5.870 2.023 628 HG13 ILE 75 HG13 ILE 75 9.470 -5.364 1.942 629 HG21 ILE 75 HG21 ILE 75 10.645 -8.358 0.114 630 HG22 ILE 75 HG22 ILE 75 11.139 -6.823 0.824 631 HG23 ILE 75 HG23 ILE 75 10.173 -6.840 -0.653 632 HD11 ILE 75 HD11 ILE 75 9.258 -4.932 -0.418 633 HD12 ILE 75 HD12 ILE 75 7.999 -4.071 0.470 634 HD13 ILE 75 HD13 ILE 75 7.605 -5.554 -0.410 635 H TYR 76 H TYR 76 6.164 -6.552 -0.337 636 HA TYR 76 HA TYR 76 4.710 -6.134 1.998 637 HB2 TYR 76 HB2 TYR 76 4.246 -4.587 0.357 638 HB3 TYR 76 HB3 TYR 76 4.231 -5.792 -0.922 639 HD1 TYR 76 HD1 TYR 76 2.201 -7.075 -1.394 640 HD2 TYR 76 HD2 TYR 76 2.285 -4.073 1.616 641 HE1 TYR 76 HE1 TYR 76 -0.256 -7.072 -1.335 642 HE2 TYR 76 HE2 TYR 76 -0.166 -4.061 1.683 643 HH TYR 76 HH TYR 76 -2.044 -4.658 0.211 644 H ASP 77 H ASP 77 4.368 -8.520 -0.559 645 HA ASP 77 HA ASP 77 2.095 -9.753 0.770 646 HB2 ASP 77 HB2 ASP 77 2.023 -9.584 -1.649 647 HB3 ASP 77 HB3 ASP 77 3.550 -10.455 -1.786 648 H LYS 78 H LYS 78 5.505 -10.094 0.612 649 HA LYS 78 HA LYS 78 5.581 -12.842 1.442 650 HB2 LYS 78 HB2 LYS 78 7.758 -10.769 1.698 651 HB3 LYS 78 HB3 LYS 78 7.956 -12.505 1.853 652 HG2 LYS 78 HG2 LYS 78 7.185 -11.016 -0.635 653 HG3 LYS 78 HG3 LYS 78 8.761 -11.725 -0.292 654 HD2 LYS 78 HD2 LYS 78 7.926 -13.430 -1.518 655 HD3 LYS 78 HD3 LYS 78 7.182 -13.887 0.018 656 HE2 LYS 78 HE2 LYS 78 5.158 -12.636 -0.620 657 HE3 LYS 78 HE3 LYS 78 5.909 -12.245 -2.166 658 HZ1 LYS 78 HZ1 LYS 78 5.967 -14.582 -2.712 659 HZ2 LYS 78 HZ2 LYS 78 4.386 -14.130 -2.324 660 HZ3 LYS 78 HZ3 LYS 78 5.314 -14.994 -1.207 661 H TYR 79 H TYR 79 6.405 -9.802 3.086 662 HA TYR 79 HA TYR 79 5.576 -11.012 5.636 663 HB2 TYR 79 HB2 TYR 79 7.993 -9.223 5.312 664 HB3 TYR 79 HB3 TYR 79 7.460 -10.032 6.780 665 HD1 TYR 79 HD2 TYR 79 7.412 -12.624 6.712 666 HD2 TYR 79 HD1 TYR 79 9.593 -10.227 3.959 667 HE1 TYR 79 HE2 TYR 79 8.836 -14.551 6.172 668 HE2 TYR 79 HE1 TYR 79 11.022 -12.148 3.410 669 HH TYR 79 HH TYR 79 10.260 -15.335 4.355 670 H GLY 80 H GLY 80 6.635 -7.928 4.167 671 HA2 GLY 80 HA2 GLY 80 5.395 -6.003 3.863 672 HA3 GLY 80 HA3 GLY 80 4.029 -6.785 4.648 673 H SER 81 H SER 81 5.272 -7.347 7.143 674 HA SER 81 HA SER 81 4.700 -4.957 8.474 675 HB2 SER 81 HB2 SER 81 4.523 -7.180 9.528 676 HB3 SER 81 HB3 SER 81 6.278 -7.334 9.494 677 HG SER 81 HG SER 81 4.732 -5.448 10.949 678 H LEU 82 H LEU 82 7.881 -6.555 8.565 679 HA LEU 82 HA LEU 82 9.178 -4.053 9.135 680 HB2 LEU 82 HB2 LEU 82 10.080 -5.959 10.215 681 HB3 LEU 82 HB3 LEU 82 10.150 -6.868 8.723 682 HG LEU 82 HG LEU 82 11.966 -5.397 7.926 683 HD11 LEU 82 HD11 LEU 82 13.080 -3.892 9.466 684 HD12 LEU 82 HD12 LEU 82 11.868 -4.237 10.703 685 HD13 LEU 82 HD13 LEU 82 11.405 -3.404 9.221 686 HD21 LEU 82 HD21 LEU 82 13.687 -6.298 9.384 687 HD22 LEU 82 HD22 LEU 82 12.454 -7.513 9.043 688 HD23 LEU 82 HD23 LEU 82 12.471 -6.683 10.600 689 H GLY 83 H GLY 83 9.409 -6.435 6.528 690 HA2 GLY 83 HA2 GLY 83 11.322 -5.402 4.939 691 HA3 GLY 83 HA3 GLY 83 9.927 -6.239 4.298 692 H LEU 84 H LEU 84 7.929 -4.317 4.792 693 HA LEU 84 HA LEU 84 8.464 -2.626 2.547 694 HB2 LEU 84 HB2 LEU 84 6.229 -3.603 3.026 695 HB3 LEU 84 HB3 LEU 84 6.108 -2.564 4.433 696 HG LEU 84 HG LEU 84 6.211 -0.581 2.951 697 HD11 LEU 84 HD11 LEU 84 7.442 -1.539 1.094 698 HD12 LEU 84 HD12 LEU 84 5.900 -0.893 0.538 699 HD13 LEU 84 HD13 LEU 84 6.104 -2.632 0.744 700 HD21 LEU 84 HD21 LEU 84 3.962 -0.840 2.005 701 HD22 LEU 84 HD22 LEU 84 4.059 -1.445 3.658 702 HD23 LEU 84 HD23 LEU 84 4.043 -2.576 2.305 703 H TYR 85 H TYR 85 8.022 -2.100 6.016 704 HA TYR 85 HA TYR 85 8.127 0.708 5.934 705 HB2 TYR 85 HB2 TYR 85 7.378 0.306 8.002 706 HB3 TYR 85 HB3 TYR 85 7.903 -1.367 7.916 707 HD1 TYR 85 HD2 TYR 85 10.115 -2.017 8.806 708 HD2 TYR 85 HD1 TYR 85 8.652 1.959 9.159 709 HE1 TYR 85 HE2 TYR 85 11.814 -1.551 10.521 710 HE2 TYR 85 HE1 TYR 85 10.351 2.444 10.871 711 HH TYR 85 HH TYR 85 12.993 0.386 11.464 712 H VAL 86 H VAL 86 10.657 -1.728 6.407 713 HA VAL 86 HA VAL 86 12.715 0.177 6.935 714 HB VAL 86 HB VAL 86 13.042 -2.012 7.805 715 HG11 VAL 86 HG11 VAL 86 13.123 -4.017 6.525 716 HG12 VAL 86 HG12 VAL 86 12.952 -3.122 5.016 717 HG13 VAL 86 HG13 VAL 86 11.613 -3.185 6.165 718 HG21 VAL 86 HG21 VAL 86 15.155 -2.784 6.663 719 HG22 VAL 86 HG22 VAL 86 15.134 -1.115 7.242 720 HG23 VAL 86 HG23 VAL 86 14.904 -1.457 5.526 721 H ALA 87 H ALA 87 11.411 -1.317 4.054 722 HA ALA 87 HA ALA 87 13.567 -0.678 2.330 723 HB1 ALA 87 HB1 ALA 87 11.880 -2.366 1.786 724 HB2 ALA 87 HB2 ALA 87 12.055 -1.154 0.518 725 HB3 ALA 87 HB3 ALA 87 10.674 -1.091 1.614 726 H GLU 88 H GLU 88 10.759 1.089 3.437 727 HA GLU 88 HA GLU 88 10.816 3.140 1.492 728 HB2 GLU 88 HB2 GLU 88 9.851 3.341 4.343 729 HB3 GLU 88 HB3 GLU 88 9.408 4.396 3.011 730 HG2 GLU 88 HG2 GLU 88 8.430 2.355 1.892 731 HG3 GLU 88 HG3 GLU 88 8.647 1.528 3.433 732 H GLN 89 H GLN 89 12.281 2.832 4.689 733 HA GLN 89 HA GLN 89 13.445 5.479 4.493 734 HB2 GLN 89 HB2 GLN 89 13.569 3.377 6.652 735 HB3 GLN 89 HB3 GLN 89 14.355 4.945 6.761 736 HG2 GLN 89 HG2 GLN 89 12.161 6.034 6.538 737 HG3 GLN 89 HG3 GLN 89 11.399 4.444 6.519 738 HE21 GLN 89 HE21 GLN 89 13.133 6.765 8.435 739 HE22 GLN 89 HE22 GLN 89 12.739 6.092 9.978 740 H PHE 90 H PHE 90 14.628 2.134 4.804 741 HA PHE 90 HA PHE 90 17.358 3.030 4.510 742 HB2 PHE 90 HB2 PHE 90 16.108 0.311 4.903 743 HB3 PHE 90 HB3 PHE 90 17.839 0.525 4.609 744 HD1 PHE 90 HD1 PHE 90 15.078 1.300 6.940 745 HD2 PHE 90 HD2 PHE 90 19.290 1.213 6.334 746 HE1 PHE 90 HE1 PHE 90 15.427 1.679 9.343 747 HE2 PHE 90 HE2 PHE 90 19.645 1.594 8.739 748 HZ PHE 90 HZ PHE 90 17.713 1.827 10.246 749 H GLY 91 H GLY 91 14.912 1.473 2.510 750 HA2 GLY 91 HA2 GLY 91 15.115 1.693 0.095 751 HA3 GLY 91 HA3 GLY 91 16.861 1.530 0.285 752 H GLU 92 H GLU 92 14.596 -0.067 -1.096 753 HA GLU 92 HA GLU 92 14.200 -2.441 0.393 754 HB2 GLU 92 HB2 GLU 92 13.888 -2.813 -2.466 755 HB3 GLU 92 HB3 GLU 92 12.687 -2.897 -1.182 756 HG2 GLU 92 HG2 GLU 92 11.866 -1.158 -2.367 757 HG3 GLU 92 HG3 GLU 92 12.918 -0.298 -1.251 758 H GLU 93 H GLU 93 16.434 -1.531 -2.130 759 HA GLU 93 HA GLU 93 17.594 -4.110 -2.467 760 HB2 GLU 93 HB2 GLU 93 19.402 -2.881 -3.630 761 HB3 GLU 93 HB3 GLU 93 17.804 -2.409 -4.192 762 HG2 GLU 93 HG2 GLU 93 17.954 -0.457 -2.607 763 HG3 GLU 93 HG3 GLU 93 19.647 -0.884 -2.379 764 H ASN 94 H ASN 94 17.868 -1.692 -0.103 765 HA ASN 94 HA ASN 94 20.539 -2.449 0.764 766 HB2 ASN 94 HB2 ASN 94 18.590 -0.323 1.625 767 HB3 ASN 94 HB3 ASN 94 20.084 -0.639 2.488 768 HD21 ASN 94 HD21 ASN 94 19.164 1.728 1.008 769 HD22 ASN 94 HD22 ASN 94 20.379 2.036 -0.188 770 H VAL 95 H VAL 95 17.229 -2.580 1.865 771 HA VAL 95 HA VAL 95 17.271 -3.178 4.473 772 HB VAL 95 HB VAL 95 15.261 -4.428 4.293 773 HG11 VAL 95 HG11 VAL 95 15.339 -2.416 2.065 774 HG12 VAL 95 HG12 VAL 95 15.089 -2.063 3.771 775 HG13 VAL 95 HG13 VAL 95 13.893 -3.006 2.885 776 HG21 VAL 95 HG21 VAL 95 15.956 -6.061 2.623 777 HG22 VAL 95 HG22 VAL 95 15.876 -4.818 1.367 778 HG23 VAL 95 HG23 VAL 95 14.404 -5.332 2.195 779 H ASN 96 H ASN 96 18.378 -5.375 2.002 780 HA ASN 96 HA ASN 96 18.313 -7.801 3.352 781 HB2 ASN 96 HB2 ASN 96 18.835 -7.462 0.948 782 HB3 ASN 96 HB3 ASN 96 20.419 -6.845 1.406 783 HD21 ASN 96 HD21 ASN 96 22.003 -8.255 2.047 784 HD22 ASN 96 HD22 ASN 96 21.848 -9.970 1.918 785 H THR 97 H THR 97 20.198 -5.030 3.968 786 HA THR 97 HA THR 97 22.397 -6.268 5.302 787 HB THR 97 HB THR 97 22.489 -3.959 4.401 788 HG1 THR 97 HG1 THR 97 23.914 -4.521 6.111 789 HG21 THR 97 HG21 THR 97 20.246 -3.197 4.890 790 HG22 THR 97 HG22 THR 97 21.407 -2.126 5.679 791 HG23 THR 97 HG23 THR 97 20.541 -3.337 6.627 792 H TYR 98 H TYR 98 19.247 -5.116 6.234 793 HA TYR 98 HA TYR 98 19.715 -5.589 9.068 794 HB2 TYR 98 HB2 TYR 98 18.472 -3.585 8.264 795 HB3 TYR 98 HB3 TYR 98 17.238 -4.647 7.591 796 HD1 TYR 98 HD1 TYR 98 15.828 -6.009 9.165 797 HD2 TYR 98 HD2 TYR 98 18.447 -2.956 10.546 798 HE1 TYR 98 HE1 TYR 98 14.629 -5.958 11.311 799 HE2 TYR 98 HE2 TYR 98 17.253 -2.896 12.693 800 HH TYR 98 HH TYR 98 15.203 -5.275 13.731 801 H PHE 99 H PHE 99 18.368 -7.053 6.288 802 HA PHE 99 HA PHE 99 16.849 -9.047 7.733 803 HB2 PHE 99 HB2 PHE 99 17.279 -8.356 4.849 804 HB3 PHE 99 HB3 PHE 99 16.641 -9.940 5.264 805 HD1 PHE 99 HD2 PHE 99 16.019 -6.342 5.329 806 HD2 PHE 99 HD1 PHE 99 14.444 -10.205 6.144 807 HE1 PHE 99 HE2 PHE 99 13.780 -5.369 5.549 808 HE2 PHE 99 HE1 PHE 99 12.188 -9.241 6.369 809 HZ PHE 99 HZ PHE 99 11.854 -6.819 6.077 810 H VAL 100 H VAL 100 17.391 -11.251 6.031 811 HA VAL 100 HA VAL 100 19.268 -12.648 7.416 812 HB VAL 100 HB VAL 100 17.700 -13.830 6.084 813 HG11 VAL 100 HG11 VAL 100 17.335 -12.220 4.319 814 HG12 VAL 100 HG12 VAL 100 17.721 -13.794 3.623 815 HG13 VAL 100 HG13 VAL 100 18.945 -12.526 3.668 816 HG21 VAL 100 HG21 VAL 100 20.459 -14.242 4.938 817 HG22 VAL 100 HG22 VAL 100 19.119 -15.382 4.807 818 HG23 VAL 100 HG23 VAL 100 19.798 -14.999 6.387 Start of MODEL 19 1 H1 MET -4 H1 MET -4 0.681 -19.225 14.521 2 H2 MET -4 H2 MET -4 -0.382 -18.205 13.698 3 H3 MET -4 H3 MET -4 0.221 -19.588 12.935 4 HA MET -4 HA MET -4 -1.564 -19.543 15.294 5 HB2 MET -4 HB2 MET -4 -2.073 -20.284 12.407 6 HB3 MET -4 HB3 MET -4 -3.195 -20.608 13.720 7 HG2 MET -4 HG2 MET -4 -3.397 -18.212 14.137 8 HG3 MET -4 HG3 MET -4 -2.268 -17.889 12.823 9 HE1 MET -4 HE1 MET -4 -3.989 -16.244 11.655 10 HE2 MET -4 HE2 MET -4 -5.105 -16.512 12.993 11 HE3 MET -4 HE3 MET -4 -5.670 -16.665 11.329 12 H ARG -3 H ARG -3 -0.690 -21.751 12.638 13 HA ARG -3 HA ARG -3 -0.162 -23.949 12.592 14 HB2 ARG -3 HB2 ARG -3 1.199 -23.216 15.184 15 HB3 ARG -3 HB3 ARG -3 1.396 -24.767 14.377 16 HG2 ARG -3 HG2 ARG -3 2.204 -23.491 12.366 17 HG3 ARG -3 HG3 ARG -3 2.231 -22.054 13.389 18 HD2 ARG -3 HD2 ARG -3 4.431 -23.137 13.253 19 HD3 ARG -3 HD3 ARG -3 3.797 -23.127 14.898 20 HE ARG -3 HE ARG -3 3.010 -25.531 13.792 21 HH11 ARG -3 HH11 ARG -3 6.042 -23.912 14.433 22 HH12 ARG -3 HH12 ARG -3 6.916 -25.384 14.715 23 HH21 ARG -3 HH21 ARG -3 4.148 -27.470 14.165 24 HH22 ARG -3 HH22 ARG -3 5.833 -27.413 14.569 25 H SER -2 H SER -2 -2.691 -23.489 13.388 26 HA SER -2 HA SER -2 -3.229 -25.136 15.726 27 HB2 SER -2 HB2 SER -2 -5.161 -23.693 13.897 28 HB3 SER -2 HB3 SER -2 -5.523 -24.382 15.479 29 HG SER -2 HG SER -2 -3.722 -22.872 16.179 30 HA PRO -1 HA PRO -1 -3.833 -28.554 12.843 31 HB2 PRO -1 HB2 PRO -1 -4.026 -30.297 15.123 32 HB3 PRO -1 HB3 PRO -1 -2.701 -30.149 13.970 33 HG2 PRO -1 HG2 PRO -1 -2.550 -29.413 16.618 34 HG3 PRO -1 HG3 PRO -1 -1.508 -28.775 15.336 35 HD2 PRO -1 HD2 PRO -1 -3.911 -27.545 16.617 36 HD3 PRO -1 HD3 PRO -1 -2.403 -26.783 16.066 37 H GLY 0 H GLY 0 -5.746 -29.202 12.031 38 HA2 GLY 0 HA2 GLY 0 -7.864 -30.272 12.235 39 HA3 GLY 0 HA3 GLY 0 -7.969 -29.682 13.887 40 H MET 1 H MET 1 -7.029 -27.640 11.207 41 HA MET 1 HA MET 1 -9.171 -25.811 11.809 42 HB2 MET 1 HB2 MET 1 -7.040 -25.767 9.670 43 HB3 MET 1 HB3 MET 1 -8.206 -24.478 9.921 44 HG2 MET 1 HG2 MET 1 -7.326 -24.128 12.174 45 HG3 MET 1 HG3 MET 1 -6.145 -25.408 11.905 46 HE1 MET 1 HE1 MET 1 -3.962 -23.877 9.020 47 HE2 MET 1 HE2 MET 1 -5.428 -24.823 8.773 48 HE3 MET 1 HE3 MET 1 -4.276 -25.296 10.021 49 H ALA 2 H ALA 2 -11.001 -25.432 10.671 50 HA ALA 2 HA ALA 2 -11.652 -27.211 8.460 51 HB1 ALA 2 HB1 ALA 2 -13.310 -25.073 9.806 52 HB2 ALA 2 HB2 ALA 2 -13.356 -26.797 10.173 53 HB3 ALA 2 HB3 ALA 2 -13.888 -26.217 8.596 54 H ASP 3 H ASP 3 -11.686 -26.587 6.353 55 HA ASP 3 HA ASP 3 -10.306 -24.174 5.693 56 HB2 ASP 3 HB2 ASP 3 -11.592 -26.300 3.989 57 HB3 ASP 3 HB3 ASP 3 -10.784 -24.888 3.316 58 H GLN 4 H GLN 4 -11.279 -22.315 5.900 59 HA GLN 4 HA GLN 4 -13.878 -21.947 4.582 60 HB2 GLN 4 HB2 GLN 4 -14.409 -20.235 6.313 61 HB3 GLN 4 HB3 GLN 4 -14.284 -21.862 6.968 62 HG2 GLN 4 HG2 GLN 4 -12.025 -21.360 7.768 63 HG3 GLN 4 HG3 GLN 4 -12.164 -19.729 7.119 64 HE21 GLN 4 HE21 GLN 4 -14.982 -19.497 7.896 65 HE22 GLN 4 HE22 GLN 4 -14.977 -19.264 9.606 66 H ARG 5 H ARG 5 -13.950 -20.280 3.166 67 HA ARG 5 HA ARG 5 -11.551 -18.580 3.039 68 HB2 ARG 5 HB2 ARG 5 -13.398 -19.452 0.810 69 HB3 ARG 5 HB3 ARG 5 -12.045 -18.355 0.625 70 HG2 ARG 5 HG2 ARG 5 -11.900 -21.246 1.433 71 HG3 ARG 5 HG3 ARG 5 -11.413 -20.554 -0.115 72 HD2 ARG 5 HD2 ARG 5 -9.712 -19.208 1.048 73 HD3 ARG 5 HD3 ARG 5 -10.178 -19.964 2.570 74 HE ARG 5 HE ARG 5 -9.203 -21.603 0.334 75 HH11 ARG 5 HH11 ARG 5 -8.877 -20.461 3.630 76 HH12 ARG 5 HH12 ARG 5 -7.616 -21.582 4.029 77 HH21 ARG 5 HH21 ARG 5 -7.540 -23.077 0.859 78 HH22 ARG 5 HH22 ARG 5 -6.863 -23.076 2.456 79 H GLN 6 H GLN 6 -15.036 -18.504 2.219 80 HA GLN 6 HA GLN 6 -16.592 -16.836 2.369 81 HB2 GLN 6 HB2 GLN 6 -14.906 -16.459 4.810 82 HB3 GLN 6 HB3 GLN 6 -16.444 -15.636 4.583 83 HG2 GLN 6 HG2 GLN 6 -17.578 -17.776 4.460 84 HG3 GLN 6 HG3 GLN 6 -16.038 -18.616 4.618 85 HE21 GLN 6 HE21 GLN 6 -16.838 -15.714 6.390 86 HE22 GLN 6 HE22 GLN 6 -16.932 -16.462 7.946 87 H ARG 7 H ARG 7 -16.137 -14.276 3.745 88 HA ARG 7 HA ARG 7 -15.648 -12.552 1.668 89 HB2 ARG 7 HB2 ARG 7 -16.646 -11.527 3.447 90 HB3 ARG 7 HB3 ARG 7 -15.689 -12.404 4.629 91 HG2 ARG 7 HG2 ARG 7 -15.084 -10.151 4.816 92 HG3 ARG 7 HG3 ARG 7 -13.758 -10.964 3.978 93 HD2 ARG 7 HD2 ARG 7 -14.311 -8.784 2.957 94 HD3 ARG 7 HD3 ARG 7 -14.558 -10.129 1.846 95 HE ARG 7 HE ARG 7 -16.987 -9.624 3.122 96 HH11 ARG 7 HH11 ARG 7 -14.817 -7.985 0.910 97 HH12 ARG 7 HH12 ARG 7 -16.084 -7.103 0.125 98 HH21 ARG 7 HH21 ARG 7 -18.647 -8.476 2.097 99 HH22 ARG 7 HH22 ARG 7 -18.270 -7.385 0.799 100 H SER 8 H SER 8 -13.383 -14.188 3.717 101 HA SER 8 HA SER 8 -11.159 -12.497 3.387 102 HB2 SER 8 HB2 SER 8 -11.397 -14.098 5.205 103 HB3 SER 8 HB3 SER 8 -11.284 -15.433 4.058 104 HG SER 8 HG SER 8 -9.176 -13.925 3.629 105 H LEU 9 H LEU 9 -12.615 -14.681 1.174 106 HA LEU 9 HA LEU 9 -10.170 -15.158 -0.300 107 HB2 LEU 9 HB2 LEU 9 -11.522 -16.353 -1.890 108 HB3 LEU 9 HB3 LEU 9 -11.950 -16.835 -0.268 109 HG LEU 9 HG LEU 9 -13.885 -15.081 -0.571 110 HD11 LEU 9 HD11 LEU 9 -14.725 -15.008 -2.861 111 HD12 LEU 9 HD12 LEU 9 -13.279 -15.845 -3.420 112 HD13 LEU 9 HD13 LEU 9 -13.148 -14.228 -2.729 113 HD21 LEU 9 HD21 LEU 9 -14.223 -17.439 -0.157 114 HD22 LEU 9 HD22 LEU 9 -13.869 -17.811 -1.847 115 HD23 LEU 9 HD23 LEU 9 -15.313 -16.888 -1.430 116 H SER 10 H SER 10 -12.516 -12.726 -0.100 117 HA SER 10 HA SER 10 -11.958 -11.658 -2.742 118 HB2 SER 10 HB2 SER 10 -14.260 -11.562 -1.812 119 HB3 SER 10 HB3 SER 10 -13.662 -10.523 -0.527 120 HG SER 10 HG SER 10 -13.254 -9.833 -3.226 121 H THR 11 H THR 11 -11.503 -10.786 0.666 122 HA THR 11 HA THR 11 -9.706 -8.630 -0.128 123 HB THR 11 HB THR 11 -9.656 -8.192 2.389 124 HG1 THR 11 HG1 THR 11 -11.401 -9.127 3.552 125 HG21 THR 11 HG21 THR 11 -12.289 -8.001 0.925 126 HG22 THR 11 HG22 THR 11 -10.967 -6.836 0.843 127 HG23 THR 11 HG23 THR 11 -11.842 -7.074 2.355 128 H SER 12 H SER 12 -7.584 -8.852 -0.135 129 HA SER 12 HA SER 12 -6.393 -11.355 0.712 130 HB2 SER 12 HB2 SER 12 -5.351 -8.911 -0.724 131 HB3 SER 12 HB3 SER 12 -4.317 -10.267 -0.297 132 HG SER 12 HG SER 12 -4.991 -11.125 -2.082 133 H GLY 13 H GLY 13 -7.259 -8.772 2.416 134 HA2 GLY 13 HA2 GLY 13 -6.556 -7.863 4.420 135 HA3 GLY 13 HA3 GLY 13 -5.265 -9.062 4.445 136 H GLU 14 H GLU 14 -5.845 -6.965 1.763 137 HA GLU 14 HA GLU 14 -3.086 -6.109 1.879 138 HB2 GLU 14 HB2 GLU 14 -3.467 -5.438 -0.424 139 HB3 GLU 14 HB3 GLU 14 -4.015 -7.084 -0.171 140 HG2 GLU 14 HG2 GLU 14 -5.831 -4.687 -0.200 141 HG3 GLU 14 HG3 GLU 14 -5.473 -5.689 -1.591 142 H SER 15 H SER 15 -2.483 -3.924 1.632 143 HA SER 15 HA SER 15 -4.445 -2.097 2.828 144 HB2 SER 15 HB2 SER 15 -1.428 -1.953 2.989 145 HB3 SER 15 HB3 SER 15 -2.580 -0.936 3.857 146 HG SER 15 HG SER 15 -3.309 -2.786 4.951 147 H LEU 16 H LEU 16 -1.517 -1.935 0.780 148 HA LEU 16 HA LEU 16 -1.855 0.654 -0.145 149 HB2 LEU 16 HB2 LEU 16 -0.580 -1.720 -1.485 150 HB3 LEU 16 HB3 LEU 16 -0.511 -0.109 -2.148 151 HG LEU 16 HG LEU 16 1.553 -0.625 -1.066 152 HD11 LEU 16 HD11 LEU 16 0.871 1.682 -0.914 153 HD12 LEU 16 HD12 LEU 16 1.722 1.214 0.554 154 HD13 LEU 16 HD13 LEU 16 -0.036 1.344 0.560 155 HD21 LEU 16 HD21 LEU 16 0.018 -1.069 1.480 156 HD22 LEU 16 HD22 LEU 16 1.769 -1.142 1.281 157 HD23 LEU 16 HD23 LEU 16 0.739 -2.335 0.486 158 H TYR 17 H TYR 17 -2.841 -2.354 -1.746 159 HA TYR 17 HA TYR 17 -4.117 -1.295 -3.959 160 HB2 TYR 17 HB2 TYR 17 -4.869 -3.746 -2.359 161 HB3 TYR 17 HB3 TYR 17 -5.505 -3.369 -3.953 162 HD1 TYR 17 HD2 TYR 17 -3.958 -3.361 -5.917 163 HD2 TYR 17 HD1 TYR 17 -2.732 -4.746 -2.090 164 HE1 TYR 17 HE2 TYR 17 -2.044 -4.501 -6.952 165 HE2 TYR 17 HE1 TYR 17 -0.811 -5.893 -3.110 166 HH TYR 17 HH TYR 17 0.183 -5.311 -6.306 167 H HIS 18 H HIS 18 -5.318 -1.623 -0.672 168 HA HIS 18 HA HIS 18 -8.039 -1.053 -1.287 169 HB2 HIS 18 HB2 HIS 18 -6.436 -1.428 1.169 170 HB3 HIS 18 HB3 HIS 18 -7.903 -0.470 1.335 171 HD1 HIS 18 HD1 HIS 18 -9.063 -2.285 2.744 172 HD2 HIS 18 HD2 HIS 18 -7.891 -3.555 -1.027 173 HE1 HIS 18 HE1 HIS 18 -10.216 -4.492 2.387 174 HE2 HIS 18 HE2 HIS 18 -9.298 -5.339 0.200 175 H VAL 19 H VAL 19 -5.281 0.919 -0.330 176 HA VAL 19 HA VAL 19 -6.744 3.260 0.291 177 HB VAL 19 HB VAL 19 -4.769 4.252 0.695 178 HG11 VAL 19 HG11 VAL 19 -4.226 2.187 1.679 179 HG12 VAL 19 HG12 VAL 19 -2.781 2.695 0.799 180 HG13 VAL 19 HG13 VAL 19 -3.834 1.459 0.122 181 HG21 VAL 19 HG21 VAL 19 -4.248 4.961 -1.469 182 HG22 VAL 19 HG22 VAL 19 -3.932 3.317 -2.036 183 HG23 VAL 19 HG23 VAL 19 -2.799 4.106 -0.929 184 H LEU 20 H LEU 20 -5.573 1.872 -2.670 185 HA LEU 20 HA LEU 20 -6.196 4.253 -4.206 186 HB2 LEU 20 HB2 LEU 20 -4.884 1.635 -4.815 187 HB3 LEU 20 HB3 LEU 20 -5.426 2.673 -6.121 188 HG LEU 20 HG LEU 20 -3.389 3.367 -4.003 189 HD11 LEU 20 HD11 LEU 20 -2.494 1.864 -5.670 190 HD12 LEU 20 HD12 LEU 20 -1.840 3.489 -5.910 191 HD13 LEU 20 HD13 LEU 20 -3.122 2.886 -6.963 192 HD21 LEU 20 HD21 LEU 20 -4.538 5.001 -6.256 193 HD22 LEU 20 HD22 LEU 20 -3.071 5.420 -5.366 194 HD23 LEU 20 HD23 LEU 20 -4.617 5.342 -4.526 195 H GLY 21 H GLY 21 -7.701 1.401 -3.230 196 HA2 GLY 21 HA2 GLY 21 -9.929 0.855 -3.442 197 HA3 GLY 21 HA3 GLY 21 -10.118 2.183 -4.573 198 H LEU 22 H LEU 22 -7.556 0.189 -5.479 199 HA LEU 22 HA LEU 22 -9.283 -1.112 -7.455 200 HB2 LEU 22 HB2 LEU 22 -7.006 -1.609 -8.573 201 HB3 LEU 22 HB3 LEU 22 -7.690 -0.007 -8.696 202 HG LEU 22 HG LEU 22 -6.182 0.628 -6.736 203 HD11 LEU 22 HD11 LEU 22 -4.159 -0.726 -6.476 204 HD12 LEU 22 HD12 LEU 22 -4.867 -1.966 -7.512 205 HD13 LEU 22 HD13 LEU 22 -5.607 -1.589 -5.955 206 HD21 LEU 22 HD21 LEU 22 -4.264 0.949 -8.195 207 HD22 LEU 22 HD22 LEU 22 -5.775 1.334 -9.016 208 HD23 LEU 22 HD23 LEU 22 -4.946 -0.189 -9.357 209 H ASP 23 H ASP 23 -8.647 -3.282 -8.152 210 HA ASP 23 HA ASP 23 -8.384 -5.024 -5.892 211 HB2 ASP 23 HB2 ASP 23 -9.880 -5.555 -7.759 212 HB3 ASP 23 HB3 ASP 23 -8.511 -5.621 -8.841 213 H LYS 24 H LYS 24 -6.956 -7.056 -6.558 214 HA LYS 24 HA LYS 24 -4.254 -6.012 -6.207 215 HB2 LYS 24 HB2 LYS 24 -3.731 -8.235 -5.396 216 HB3 LYS 24 HB3 LYS 24 -5.213 -7.684 -4.630 217 HG2 LYS 24 HG2 LYS 24 -6.265 -8.954 -6.709 218 HG3 LYS 24 HG3 LYS 24 -4.765 -9.860 -6.576 219 HD2 LYS 24 HD2 LYS 24 -6.310 -11.037 -5.251 220 HD3 LYS 24 HD3 LYS 24 -5.334 -10.114 -4.104 221 HE2 LYS 24 HE2 LYS 24 -7.070 -8.397 -4.003 222 HE3 LYS 24 HE3 LYS 24 -8.039 -9.304 -5.166 223 HZ1 LYS 24 HZ1 LYS 24 -7.238 -10.270 -2.469 224 HZ2 LYS 24 HZ2 LYS 24 -8.211 -11.105 -3.576 225 HZ3 LYS 24 HZ3 LYS 24 -8.771 -9.669 -2.879 226 H ASN 25 H ASN 25 -6.075 -6.795 -8.734 227 HA ASN 25 HA ASN 25 -3.893 -8.077 -10.232 228 HB2 ASN 25 HB2 ASN 25 -6.884 -8.164 -10.630 229 HB3 ASN 25 HB3 ASN 25 -5.740 -8.740 -11.838 230 HD21 ASN 25 HD21 ASN 25 -7.155 -9.305 -8.707 231 HD22 ASN 25 HD22 ASN 25 -6.571 -10.931 -8.536 232 H ALA 26 H ALA 26 -4.801 -5.203 -9.541 233 HA ALA 26 HA ALA 26 -5.195 -3.938 -12.066 234 HB1 ALA 26 HB1 ALA 26 -5.816 -2.750 -10.054 235 HB2 ALA 26 HB2 ALA 26 -4.526 -1.858 -10.884 236 HB3 ALA 26 HB3 ALA 26 -4.156 -2.837 -9.456 237 H THR 27 H THR 27 -3.702 -2.914 -13.353 238 HA THR 27 HA THR 27 -0.952 -3.868 -13.014 239 HB THR 27 HB THR 27 -2.041 -4.410 -15.172 240 HG1 THR 27 HG1 THR 27 -0.252 -3.931 -16.336 241 HG21 THR 27 HG21 THR 27 -2.478 -2.616 -16.792 242 HG22 THR 27 HG22 THR 27 -2.111 -1.420 -15.551 243 HG23 THR 27 HG23 THR 27 -3.508 -2.478 -15.367 244 H SER 28 H SER 28 0.687 -2.193 -13.991 245 HA SER 28 HA SER 28 0.950 -0.074 -12.276 246 HB2 SER 28 HB2 SER 28 1.905 -0.082 -15.145 247 HB3 SER 28 HB3 SER 28 2.628 0.774 -13.783 248 HG SER 28 HG SER 28 3.599 -0.989 -13.181 249 H ASP 29 H ASP 29 -0.682 -0.198 -15.356 250 HA ASP 29 HA ASP 29 -1.209 2.468 -15.835 251 HB2 ASP 29 HB2 ASP 29 -1.701 0.663 -17.431 252 HB3 ASP 29 HB3 ASP 29 -3.023 0.118 -16.405 253 H ASP 30 H ASP 30 -3.199 0.179 -13.871 254 HA ASP 30 HA ASP 30 -5.188 2.230 -13.449 255 HB2 ASP 30 HB2 ASP 30 -5.563 -0.326 -13.539 256 HB3 ASP 30 HB3 ASP 30 -4.973 -0.328 -11.877 257 H ILE 31 H ILE 31 -2.525 0.787 -11.705 258 HA ILE 31 HA ILE 31 -3.006 1.853 -9.168 259 HB ILE 31 HB ILE 31 -0.427 1.060 -10.513 260 HG12 ILE 31 HG12 ILE 31 -1.823 -0.481 -8.366 261 HG13 ILE 31 HG13 ILE 31 -2.470 -0.535 -10.002 262 HG21 ILE 31 HG21 ILE 31 0.042 2.580 -8.656 263 HG22 ILE 31 HG22 ILE 31 0.555 0.934 -8.281 264 HG23 ILE 31 HG23 ILE 31 -0.933 1.572 -7.584 265 HD11 ILE 31 HD11 ILE 31 -0.980 -2.407 -9.515 266 HD12 ILE 31 HD12 ILE 31 0.341 -1.270 -9.230 267 HD13 ILE 31 HD13 ILE 31 -0.384 -1.398 -10.833 268 H LYS 32 H LYS 32 -1.240 3.189 -11.941 269 HA LYS 32 HA LYS 32 -0.361 5.544 -10.622 270 HB2 LYS 32 HB2 LYS 32 -0.868 5.155 -13.573 271 HB3 LYS 32 HB3 LYS 32 0.078 6.438 -12.838 272 HG2 LYS 32 HG2 LYS 32 0.774 3.522 -12.666 273 HG3 LYS 32 HG3 LYS 32 1.420 4.634 -13.873 274 HD2 LYS 32 HD2 LYS 32 2.303 6.034 -12.016 275 HD3 LYS 32 HD3 LYS 32 1.774 4.787 -10.883 276 HE2 LYS 32 HE2 LYS 32 3.210 3.161 -11.949 277 HE3 LYS 32 HE3 LYS 32 3.680 4.343 -13.169 278 HZ1 LYS 32 HZ1 LYS 32 4.258 4.547 -10.261 279 HZ2 LYS 32 HZ2 LYS 32 4.706 5.676 -11.436 280 HZ3 LYS 32 HZ3 LYS 32 5.370 4.124 -11.463 281 H LYS 33 H LYS 33 -3.116 4.922 -12.800 282 HA LYS 33 HA LYS 33 -4.179 7.498 -12.783 283 HB2 LYS 33 HB2 LYS 33 -5.688 4.892 -13.012 284 HB3 LYS 33 HB3 LYS 33 -6.267 6.472 -13.525 285 HG2 LYS 33 HG2 LYS 33 -4.373 6.570 -15.130 286 HG3 LYS 33 HG3 LYS 33 -3.969 4.916 -14.681 287 HD2 LYS 33 HD2 LYS 33 -6.592 5.823 -15.866 288 HD3 LYS 33 HD3 LYS 33 -5.305 4.984 -16.732 289 HE2 LYS 33 HE2 LYS 33 -5.559 3.062 -15.248 290 HE3 LYS 33 HE3 LYS 33 -6.838 3.900 -14.371 291 HZ1 LYS 33 HZ1 LYS 33 -6.913 3.062 -17.214 292 HZ2 LYS 33 HZ2 LYS 33 -8.126 3.947 -16.438 293 HZ3 LYS 33 HZ3 LYS 33 -7.778 2.368 -15.939 294 H SER 34 H SER 34 -5.006 4.714 -10.718 295 HA SER 34 HA SER 34 -6.933 5.996 -9.159 296 HB2 SER 34 HB2 SER 34 -5.069 3.727 -8.462 297 HB3 SER 34 HB3 SER 34 -6.436 4.231 -7.466 298 HG SER 34 HG SER 34 -6.395 2.856 -9.881 299 H TYR 35 H TYR 35 -3.417 5.958 -8.887 300 HA TYR 35 HA TYR 35 -3.186 7.282 -6.446 301 HB2 TYR 35 HB2 TYR 35 -1.161 6.512 -7.417 302 HB3 TYR 35 HB3 TYR 35 -1.455 7.387 -8.923 303 HD1 TYR 35 HD1 TYR 35 -1.009 8.068 -5.255 304 HD2 TYR 35 HD2 TYR 35 -0.346 9.398 -9.244 305 HE1 TYR 35 HE1 TYR 35 0.250 9.983 -4.401 306 HE2 TYR 35 HE2 TYR 35 0.930 11.319 -8.390 307 HH TYR 35 HH TYR 35 1.000 12.657 -6.217 308 H ARG 36 H ARG 36 -3.154 8.722 -9.699 309 HA ARG 36 HA ARG 36 -3.277 11.380 -9.012 310 HB2 ARG 36 HB2 ARG 36 -4.721 10.069 -11.325 311 HB3 ARG 36 HB3 ARG 36 -4.274 11.766 -11.211 312 HG2 ARG 36 HG2 ARG 36 -2.361 9.443 -11.332 313 HG3 ARG 36 HG3 ARG 36 -2.747 10.546 -12.656 314 HD2 ARG 36 HD2 ARG 36 -1.483 11.310 -10.027 315 HD3 ARG 36 HD3 ARG 36 -0.641 11.145 -11.565 316 HE ARG 36 HE ARG 36 -2.613 12.946 -12.082 317 HH11 ARG 36 HH11 ARG 36 0.004 12.778 -9.774 318 HH12 ARG 36 HH12 ARG 36 0.097 14.494 -9.562 319 HH21 ARG 36 HH21 ARG 36 -2.492 15.196 -11.824 320 HH22 ARG 36 HH22 ARG 36 -1.325 15.876 -10.733 321 H LYS 37 H LYS 37 -6.048 9.314 -9.762 322 HA LYS 37 HA LYS 37 -8.123 11.057 -9.433 323 HB2 LYS 37 HB2 LYS 37 -7.944 8.128 -8.739 324 HB3 LYS 37 HB3 LYS 37 -9.459 9.019 -8.768 325 HG2 LYS 37 HG2 LYS 37 -9.442 9.239 -11.060 326 HG3 LYS 37 HG3 LYS 37 -7.692 9.041 -11.165 327 HD2 LYS 37 HD2 LYS 37 -9.174 7.105 -11.975 328 HD3 LYS 37 HD3 LYS 37 -7.819 6.719 -10.913 329 HE2 LYS 37 HE2 LYS 37 -9.327 6.635 -9.003 330 HE3 LYS 37 HE3 LYS 37 -10.687 7.067 -10.040 331 HZ1 LYS 37 HZ1 LYS 37 -10.517 4.660 -9.565 332 HZ2 LYS 37 HZ2 LYS 37 -9.042 4.619 -10.394 333 HZ3 LYS 37 HZ3 LYS 37 -10.462 5.016 -11.217 334 H LEU 38 H LEU 38 -6.475 9.252 -6.878 335 HA LEU 38 HA LEU 38 -8.273 10.356 -4.862 336 HB2 LEU 38 HB2 LEU 38 -5.987 8.405 -4.747 337 HB3 LEU 38 HB3 LEU 38 -6.911 8.918 -3.345 338 HG LEU 38 HG LEU 38 -8.229 7.660 -5.738 339 HD11 LEU 38 HD11 LEU 38 -8.155 5.536 -4.521 340 HD12 LEU 38 HD12 LEU 38 -7.120 6.282 -3.302 341 HD13 LEU 38 HD13 LEU 38 -6.547 6.110 -4.962 342 HD21 LEU 38 HD21 LEU 38 -9.031 7.975 -2.847 343 HD22 LEU 38 HD22 LEU 38 -9.950 7.090 -4.065 344 HD23 LEU 38 HD23 LEU 38 -9.713 8.829 -4.232 345 H ALA 39 H ALA 39 -4.984 10.704 -5.966 346 HA ALA 39 HA ALA 39 -3.752 11.923 -3.811 347 HB1 ALA 39 HB1 ALA 39 -3.247 12.511 -6.715 348 HB2 ALA 39 HB2 ALA 39 -2.585 11.145 -5.816 349 HB3 ALA 39 HB3 ALA 39 -2.134 12.794 -5.375 350 H LEU 40 H LEU 40 -5.483 13.587 -6.474 351 HA LEU 40 HA LEU 40 -5.039 16.111 -5.176 352 HB2 LEU 40 HB2 LEU 40 -6.934 16.860 -6.877 353 HB3 LEU 40 HB3 LEU 40 -5.262 16.700 -7.334 354 HG LEU 40 HG LEU 40 -7.007 15.853 -8.950 355 HD11 LEU 40 HD11 LEU 40 -4.754 14.079 -8.065 356 HD12 LEU 40 HD12 LEU 40 -4.728 15.327 -9.312 357 HD13 LEU 40 HD13 LEU 40 -5.660 13.848 -9.560 358 HD21 LEU 40 HD21 LEU 40 -7.128 13.494 -7.101 359 HD22 LEU 40 HD22 LEU 40 -7.926 13.668 -8.663 360 HD23 LEU 40 HD23 LEU 40 -8.413 14.682 -7.305 361 H LYS 41 H LYS 41 -7.696 13.879 -5.453 362 HA LYS 41 HA LYS 41 -9.710 15.171 -4.096 363 HB2 LYS 41 HB2 LYS 41 -10.079 13.034 -5.090 364 HB3 LYS 41 HB3 LYS 41 -8.834 12.286 -4.105 365 HG2 LYS 41 HG2 LYS 41 -10.281 12.768 -2.107 366 HG3 LYS 41 HG3 LYS 41 -11.557 13.214 -3.246 367 HD2 LYS 41 HD2 LYS 41 -11.457 11.017 -4.260 368 HD3 LYS 41 HD3 LYS 41 -10.116 10.570 -3.207 369 HE2 LYS 41 HE2 LYS 41 -12.056 9.594 -2.292 370 HE3 LYS 41 HE3 LYS 41 -11.645 10.960 -1.260 371 HZ1 LYS 41 HZ1 LYS 41 -13.335 12.268 -2.429 372 HZ2 LYS 41 HZ2 LYS 41 -14.000 10.911 -1.671 373 HZ3 LYS 41 HZ3 LYS 41 -13.760 10.910 -3.345 374 H TYR 42 H TYR 42 -6.921 13.458 -2.752 375 HA TYR 42 HA TYR 42 -7.584 14.582 -0.111 376 HB2 TYR 42 HB2 TYR 42 -6.109 12.106 -0.942 377 HB3 TYR 42 HB3 TYR 42 -5.774 12.849 0.622 378 HD1 TYR 42 HD2 TYR 42 -7.704 13.164 2.230 379 HD2 TYR 42 HD1 TYR 42 -7.978 10.700 -1.225 380 HE1 TYR 42 HE2 TYR 42 -9.626 12.002 3.223 381 HE2 TYR 42 HE1 TYR 42 -9.902 9.525 -0.236 382 HH TYR 42 HH TYR 42 -11.519 10.688 2.561 383 H HIS 43 H HIS 43 -6.303 16.128 -2.235 384 HA HIS 43 HA HIS 43 -3.523 16.238 -1.641 385 HB2 HIS 43 HB2 HIS 43 -4.896 17.165 -3.730 386 HB3 HIS 43 HB3 HIS 43 -4.895 18.629 -2.755 387 HD1 HIS 43 HD1 HIS 43 -2.968 20.116 -3.180 388 HD2 HIS 43 HD2 HIS 43 -2.068 16.136 -3.991 389 HE1 HIS 43 HE1 HIS 43 -0.602 20.113 -4.024 390 HE2 HIS 43 HE2 HIS 43 -0.084 17.704 -4.543 391 HA PRO 44 HA PRO 44 -3.420 17.717 2.375 392 HB2 PRO 44 HB2 PRO 44 -1.657 19.903 1.946 393 HB3 PRO 44 HB3 PRO 44 -1.233 18.272 2.463 394 HG2 PRO 44 HG2 PRO 44 -1.232 19.473 -0.264 395 HG3 PRO 44 HG3 PRO 44 -0.128 18.265 0.437 396 HD2 PRO 44 HD2 PRO 44 -1.973 17.527 -1.290 397 HD3 PRO 44 HD3 PRO 44 -1.700 16.533 0.159 398 H ASP 45 H ASP 45 -3.627 20.376 0.034 399 HA ASP 45 HA ASP 45 -4.423 22.261 1.984 400 HB2 ASP 45 HB2 ASP 45 -4.426 22.356 -1.025 401 HB3 ASP 45 HB3 ASP 45 -4.875 23.730 -0.022 402 H LYS 46 H LYS 46 -6.204 19.938 0.231 403 HA LYS 46 HA LYS 46 -8.688 21.412 0.292 404 HB2 LYS 46 HB2 LYS 46 -8.421 18.437 -0.017 405 HB3 LYS 46 HB3 LYS 46 -9.667 19.490 -0.638 406 HG2 LYS 46 HG2 LYS 46 -7.511 20.494 -1.888 407 HG3 LYS 46 HG3 LYS 46 -7.052 18.808 -1.747 408 HD2 LYS 46 HD2 LYS 46 -9.463 19.970 -3.122 409 HD3 LYS 46 HD3 LYS 46 -8.124 19.070 -3.834 410 HE2 LYS 46 HE2 LYS 46 -9.781 17.503 -3.779 411 HE3 LYS 46 HE3 LYS 46 -8.895 17.151 -2.307 412 HZ1 LYS 46 HZ1 LYS 46 -11.337 18.838 -2.365 413 HZ2 LYS 46 HZ2 LYS 46 -10.575 18.173 -1.009 414 HZ3 LYS 46 HZ3 LYS 46 -11.374 17.171 -2.105 415 H ASN 47 H ASN 47 -6.873 19.918 2.609 416 HA ASN 47 HA ASN 47 -9.158 18.693 3.993 417 HB2 ASN 47 HB2 ASN 47 -6.230 18.015 4.202 418 HB3 ASN 47 HB3 ASN 47 -7.577 17.116 4.900 419 HD21 ASN 47 HD21 ASN 47 -6.125 18.140 1.862 420 HD22 ASN 47 HD22 ASN 47 -6.760 16.824 0.929 421 HA PRO 48 HA PRO 48 -8.334 21.325 7.438 422 HB2 PRO 48 HB2 PRO 48 -9.274 19.444 9.352 423 HB3 PRO 48 HB3 PRO 48 -10.161 20.776 8.623 424 HG2 PRO 48 HG2 PRO 48 -10.718 18.110 8.199 425 HG3 PRO 48 HG3 PRO 48 -11.176 19.422 7.101 426 HD2 PRO 48 HD2 PRO 48 -8.871 17.523 6.935 427 HD3 PRO 48 HD3 PRO 48 -9.912 18.153 5.641 428 H ASP 49 H ASP 49 -7.871 20.610 10.050 429 HA ASP 49 HA ASP 49 -5.046 20.527 9.976 430 HB2 ASP 49 HB2 ASP 49 -6.379 21.816 11.591 431 HB3 ASP 49 HB3 ASP 49 -6.912 20.313 12.337 432 H ASN 50 H ASN 50 -7.498 18.144 10.756 433 HA ASN 50 HA ASN 50 -5.949 16.245 12.065 434 HB2 ASN 50 HB2 ASN 50 -7.628 14.591 11.336 435 HB3 ASN 50 HB3 ASN 50 -8.371 16.047 11.969 436 HD21 ASN 50 HD21 ASN 50 -9.434 13.999 10.198 437 HD22 ASN 50 HD22 ASN 50 -9.929 14.823 8.762 438 HA PRO 51 HA PRO 51 -3.228 15.015 8.758 439 HB2 PRO 51 HB2 PRO 51 -1.815 13.180 10.128 440 HB3 PRO 51 HB3 PRO 51 -1.627 14.914 10.418 441 HG2 PRO 51 HG2 PRO 51 -3.185 12.889 11.975 442 HG3 PRO 51 HG3 PRO 51 -2.157 14.208 12.566 443 HD2 PRO 51 HD2 PRO 51 -4.887 14.347 12.440 444 HD3 PRO 51 HD3 PRO 51 -3.825 15.764 12.348 445 H GLU 52 H GLU 52 -5.901 13.601 9.550 446 HA GLU 52 HA GLU 52 -5.613 10.840 9.014 447 HB2 GLU 52 HB2 GLU 52 -7.580 11.836 10.132 448 HB3 GLU 52 HB3 GLU 52 -7.976 12.691 8.640 449 HG2 GLU 52 HG2 GLU 52 -8.363 10.580 7.516 450 HG3 GLU 52 HG3 GLU 52 -7.925 9.698 8.978 451 H ALA 53 H ALA 53 -6.492 13.628 7.099 452 HA ALA 53 HA ALA 53 -6.837 12.228 4.657 453 HB1 ALA 53 HB1 ALA 53 -7.924 14.363 5.260 454 HB2 ALA 53 HB2 ALA 53 -7.099 14.412 3.697 455 HB3 ALA 53 HB3 ALA 53 -6.359 15.164 5.113 456 H ALA 54 H ALA 54 -4.181 13.845 6.244 457 HA ALA 54 HA ALA 54 -2.361 13.846 4.081 458 HB1 ALA 54 HB1 ALA 54 -2.007 15.205 6.076 459 HB2 ALA 54 HB2 ALA 54 -0.637 14.127 5.804 460 HB3 ALA 54 HB3 ALA 54 -1.827 13.745 7.049 461 H ASP 55 H ASP 55 -3.067 11.551 6.666 462 HA ASP 55 HA ASP 55 -1.196 9.556 6.095 463 HB2 ASP 55 HB2 ASP 55 -3.249 9.840 7.869 464 HB3 ASP 55 HB3 ASP 55 -3.899 8.635 6.778 465 H LYS 56 H LYS 56 -4.443 10.095 4.934 466 HA LYS 56 HA LYS 56 -4.777 7.984 3.184 467 HB2 LYS 56 HB2 LYS 56 -5.871 10.635 3.627 468 HB3 LYS 56 HB3 LYS 56 -5.998 10.130 1.945 469 HG2 LYS 56 HG2 LYS 56 -7.189 8.880 4.393 470 HG3 LYS 56 HG3 LYS 56 -7.994 9.533 2.973 471 HD2 LYS 56 HD2 LYS 56 -6.374 6.988 3.115 472 HD3 LYS 56 HD3 LYS 56 -8.122 7.127 2.941 473 HE2 LYS 56 HE2 LYS 56 -7.810 8.192 0.756 474 HE3 LYS 56 HE3 LYS 56 -6.061 8.020 0.928 475 HZ1 LYS 56 HZ1 LYS 56 -6.424 5.589 1.131 476 HZ2 LYS 56 HZ2 LYS 56 -6.867 6.214 -0.384 477 HZ3 LYS 56 HZ3 LYS 56 -8.060 5.833 0.751 478 H PHE 57 H PHE 57 -3.780 11.285 2.302 479 HA PHE 57 HA PHE 57 -2.962 10.764 -0.276 480 HB2 PHE 57 HB2 PHE 57 -3.100 13.030 0.752 481 HB3 PHE 57 HB3 PHE 57 -1.587 12.693 1.592 482 HD1 PHE 57 HD1 PHE 57 -1.912 11.374 -1.770 483 HD2 PHE 57 HD2 PHE 57 -0.699 14.747 0.524 484 HE1 PHE 57 HE1 PHE 57 -0.695 12.240 -3.705 485 HE2 PHE 57 HE2 PHE 57 0.541 15.617 -1.414 486 HZ PHE 57 HZ PHE 57 0.543 14.364 -3.535 487 H LYS 58 H LYS 58 -1.179 10.314 2.690 488 HA LYS 58 HA LYS 58 1.340 9.717 1.646 489 HB2 LYS 58 HB2 LYS 58 0.790 10.177 4.006 490 HB3 LYS 58 HB3 LYS 58 0.016 8.604 4.117 491 HG2 LYS 58 HG2 LYS 58 2.215 7.575 3.555 492 HG3 LYS 58 HG3 LYS 58 2.936 9.181 3.679 493 HD2 LYS 58 HD2 LYS 58 1.619 7.539 5.827 494 HD3 LYS 58 HD3 LYS 58 3.262 8.182 5.791 495 HE2 LYS 58 HE2 LYS 58 0.811 9.923 5.829 496 HE3 LYS 58 HE3 LYS 58 1.625 9.384 7.302 497 HZ1 LYS 58 HZ1 LYS 58 2.380 11.570 6.682 498 HZ2 LYS 58 HZ2 LYS 58 2.810 11.036 5.138 499 HZ3 LYS 58 HZ3 LYS 58 3.653 10.472 6.488 500 H GLU 59 H GLU 59 -1.368 7.534 2.455 501 HA GLU 59 HA GLU 59 0.042 5.210 1.624 502 HB2 GLU 59 HB2 GLU 59 -2.232 4.120 1.737 503 HB3 GLU 59 HB3 GLU 59 -1.608 4.808 3.218 504 HG2 GLU 59 HG2 GLU 59 -3.021 6.719 2.981 505 HG3 GLU 59 HG3 GLU 59 -3.565 6.166 1.400 506 H ILE 60 H ILE 60 -2.237 7.368 -0.015 507 HA ILE 60 HA ILE 60 -2.548 5.882 -2.400 508 HB ILE 60 HB ILE 60 -2.229 8.884 -2.391 509 HG12 ILE 60 HG12 ILE 60 -4.847 7.469 -1.906 510 HG13 ILE 60 HG13 ILE 60 -3.853 8.083 -0.590 511 HG21 ILE 60 HG21 ILE 60 -3.461 8.885 -4.346 512 HG22 ILE 60 HG22 ILE 60 -4.167 7.305 -4.017 513 HG23 ILE 60 HG23 ILE 60 -2.480 7.428 -4.497 514 HD11 ILE 60 HD11 ILE 60 -5.498 9.725 -1.057 515 HD12 ILE 60 HD12 ILE 60 -5.170 9.653 -2.789 516 HD13 ILE 60 HD13 ILE 60 -3.971 10.335 -1.696 517 H ASN 61 H ASN 61 -0.271 8.378 -1.463 518 HA ASN 61 HA ASN 61 1.268 8.448 -3.795 519 HB2 ASN 61 HB2 ASN 61 1.147 10.127 -1.874 520 HB3 ASN 61 HB3 ASN 61 2.261 9.068 -1.005 521 HD21 ASN 61 HD21 ASN 61 2.667 11.795 -1.812 522 HD22 ASN 61 HD22 ASN 61 4.037 11.814 -2.869 523 H ASN 62 H ASN 62 1.532 6.472 -0.877 524 HA ASN 62 HA ASN 62 4.013 5.282 -1.591 525 HB2 ASN 62 HB2 ASN 62 2.644 5.297 0.708 526 HB3 ASN 62 HB3 ASN 62 2.121 3.733 0.083 527 HD21 ASN 62 HD21 ASN 62 3.238 2.392 1.388 528 HD22 ASN 62 HD22 ASN 62 4.957 2.355 1.522 529 H ALA 63 H ALA 63 0.721 3.927 -1.612 530 HA ALA 63 HA ALA 63 1.208 1.549 -2.903 531 HB1 ALA 63 HB1 ALA 63 -0.942 2.152 -1.917 532 HB2 ALA 63 HB2 ALA 63 -1.134 1.570 -3.570 533 HB3 ALA 63 HB3 ALA 63 -1.225 3.299 -3.227 534 H HIS 64 H HIS 64 0.749 4.718 -4.320 535 HA HIS 64 HA HIS 64 0.585 4.252 -7.001 536 HB2 HIS 64 HB2 HIS 64 0.519 6.473 -6.209 537 HB3 HIS 64 HB3 HIS 64 2.080 6.329 -5.416 538 HD1 HIS 64 HD1 HIS 64 3.884 7.512 -6.593 539 HD2 HIS 64 HD2 HIS 64 0.909 6.262 -9.211 540 HE1 HIS 64 HE1 HIS 64 4.536 8.425 -8.838 541 HE2 HIS 64 HE2 HIS 64 2.631 7.811 -10.366 542 H ALA 65 H ALA 65 3.497 4.083 -5.004 543 HA ALA 65 HA ALA 65 5.094 3.293 -7.313 544 HB1 ALA 65 HB1 ALA 65 6.070 4.882 -5.742 545 HB2 ALA 65 HB2 ALA 65 6.994 3.382 -5.780 546 HB3 ALA 65 HB3 ALA 65 5.899 3.709 -4.437 547 H ILE 66 H ILE 66 3.809 1.986 -4.306 548 HA ILE 66 HA ILE 66 5.426 -0.239 -4.019 549 HB ILE 66 HB ILE 66 2.507 -0.184 -3.276 550 HG12 ILE 66 HG12 ILE 66 3.430 1.806 -2.349 551 HG13 ILE 66 HG13 ILE 66 3.346 0.630 -1.044 552 HG21 ILE 66 HG21 ILE 66 3.195 -1.709 -1.482 553 HG22 ILE 66 HG22 ILE 66 4.842 -1.688 -2.107 554 HG23 ILE 66 HG23 ILE 66 3.542 -2.371 -3.079 555 HD11 ILE 66 HD11 ILE 66 5.721 0.197 -1.272 556 HD12 ILE 66 HD12 ILE 66 5.406 1.907 -0.981 557 HD13 ILE 66 HD13 ILE 66 5.810 1.348 -2.606 558 H LEU 67 H LEU 67 2.210 -0.160 -5.587 559 HA LEU 67 HA LEU 67 2.276 -2.979 -5.997 560 HB2 LEU 67 HB2 LEU 67 0.432 -0.900 -7.158 561 HB3 LEU 67 HB3 LEU 67 0.217 -2.627 -7.338 562 HG LEU 67 HG LEU 67 -1.081 -2.543 -5.539 563 HD11 LEU 67 HD11 LEU 67 1.426 -1.797 -4.051 564 HD12 LEU 67 HD12 LEU 67 0.889 -3.433 -4.434 565 HD13 LEU 67 HD13 LEU 67 -0.052 -2.430 -3.330 566 HD21 LEU 67 HD21 LEU 67 0.034 0.182 -4.919 567 HD22 LEU 67 HD22 LEU 67 -1.402 -0.547 -4.200 568 HD23 LEU 67 HD23 LEU 67 -1.378 -0.158 -5.920 569 H THR 68 H THR 68 3.426 -0.315 -7.838 570 HA THR 68 HA THR 68 3.686 -2.033 -10.202 571 HB THR 68 HB THR 68 2.610 0.099 -10.669 572 HG1 THR 68 HG1 THR 68 5.174 -0.427 -11.718 573 HG21 THR 68 HG21 THR 68 3.617 1.385 -8.838 574 HG22 THR 68 HG22 THR 68 3.761 2.206 -10.389 575 HG23 THR 68 HG23 THR 68 5.156 1.382 -9.697 576 H ASP 69 H ASP 69 5.359 -1.519 -7.543 577 HA ASP 69 HA ASP 69 7.972 -1.488 -8.902 578 HB2 ASP 69 HB2 ASP 69 7.676 0.144 -7.027 579 HB3 ASP 69 HB3 ASP 69 7.382 -1.219 -5.941 580 H ALA 70 H ALA 70 9.372 -3.211 -8.629 581 HA ALA 70 HA ALA 70 8.124 -5.729 -8.207 582 HB1 ALA 70 HB1 ALA 70 10.330 -6.682 -8.636 583 HB2 ALA 70 HB2 ALA 70 11.046 -5.073 -8.543 584 HB3 ALA 70 HB3 ALA 70 9.912 -5.461 -9.838 585 H THR 71 H THR 71 10.351 -3.738 -6.309 586 HA THR 71 HA THR 71 10.792 -5.858 -4.390 587 HB THR 71 HB THR 71 11.646 -2.967 -4.224 588 HG1 THR 71 HG1 THR 71 13.021 -3.507 -5.733 589 HG21 THR 71 HG21 THR 71 11.667 -4.123 -2.102 590 HG22 THR 71 HG22 THR 71 13.325 -3.877 -2.660 591 HG23 THR 71 HG23 THR 71 12.566 -5.468 -2.807 592 H LYS 72 H LYS 72 9.277 -2.613 -4.293 593 HA LYS 72 HA LYS 72 8.512 -2.696 -1.604 594 HB2 LYS 72 HB2 LYS 72 7.803 -1.080 -3.946 595 HB3 LYS 72 HB3 LYS 72 6.535 -1.190 -2.742 596 HG2 LYS 72 HG2 LYS 72 7.577 0.592 -1.868 597 HG3 LYS 72 HG3 LYS 72 8.619 -0.631 -1.149 598 HD2 LYS 72 HD2 LYS 72 9.932 1.140 -2.130 599 HD3 LYS 72 HD3 LYS 72 10.180 -0.367 -3.011 600 HE2 LYS 72 HE2 LYS 72 8.699 0.372 -4.766 601 HE3 LYS 72 HE3 LYS 72 8.313 1.836 -3.863 602 HZ1 LYS 72 HZ1 LYS 72 11.000 1.127 -4.928 603 HZ2 LYS 72 HZ2 LYS 72 10.601 2.548 -4.099 604 HZ3 LYS 72 HZ3 LYS 72 9.932 2.242 -5.619 605 H ARG 73 H ARG 73 7.102 -4.151 -4.394 606 HA ARG 73 HA ARG 73 4.675 -4.880 -2.964 607 HB2 ARG 73 HB2 ARG 73 4.351 -4.330 -5.265 608 HB3 ARG 73 HB3 ARG 73 5.667 -5.382 -5.766 609 HG2 ARG 73 HG2 ARG 73 4.389 -7.332 -5.212 610 HG3 ARG 73 HG3 ARG 73 3.088 -6.336 -4.547 611 HD2 ARG 73 HD2 ARG 73 2.638 -5.388 -6.718 612 HD3 ARG 73 HD3 ARG 73 4.026 -6.222 -7.411 613 HE ARG 73 HE ARG 73 2.435 -8.207 -6.380 614 HH11 ARG 73 HH11 ARG 73 2.023 -5.629 -8.712 615 HH12 ARG 73 HH12 ARG 73 0.872 -6.504 -9.668 616 HH21 ARG 73 HH21 ARG 73 0.919 -9.363 -7.635 617 HH22 ARG 73 HH22 ARG 73 0.233 -8.630 -9.049 618 H ASN 74 H ASN 74 7.660 -6.217 -4.080 619 HA ASN 74 HA ASN 74 7.331 -8.908 -3.610 620 HB2 ASN 74 HB2 ASN 74 9.321 -7.837 -4.649 621 HB3 ASN 74 HB3 ASN 74 9.811 -7.285 -3.052 622 HD21 ASN 74 HD21 ASN 74 10.326 -8.897 -1.469 623 HD22 ASN 74 HD22 ASN 74 11.019 -10.377 -2.004 624 H ILE 75 H ILE 75 8.805 -6.588 -1.288 625 HA ILE 75 HA ILE 75 8.864 -8.583 0.752 626 HB ILE 75 HB ILE 75 9.801 -7.039 2.212 627 HG12 ILE 75 HG12 ILE 75 8.044 -5.312 2.080 628 HG13 ILE 75 HG13 ILE 75 9.662 -4.624 2.053 629 HG21 ILE 75 HG21 ILE 75 11.516 -5.882 0.961 630 HG22 ILE 75 HG22 ILE 75 10.588 -6.097 -0.523 631 HG23 ILE 75 HG23 ILE 75 11.233 -7.501 0.327 632 HD11 ILE 75 HD11 ILE 75 9.504 -4.262 -0.319 633 HD12 ILE 75 HD12 ILE 75 8.115 -3.536 0.495 634 HD13 ILE 75 HD13 ILE 75 7.935 -5.070 -0.364 635 H TYR 76 H TYR 76 6.545 -6.214 -0.217 636 HA TYR 76 HA TYR 76 4.953 -6.047 2.065 637 HB2 TYR 76 HB2 TYR 76 4.204 -4.568 0.493 638 HB3 TYR 76 HB3 TYR 76 4.615 -5.628 -0.847 639 HD1 TYR 76 HD1 TYR 76 3.010 -7.381 -1.571 640 HD2 TYR 76 HD2 TYR 76 2.026 -4.530 1.427 641 HE1 TYR 76 HE1 TYR 76 0.627 -7.931 -1.838 642 HE2 TYR 76 HE2 TYR 76 -0.357 -5.069 1.171 643 HH TYR 76 HH TYR 76 -1.860 -6.026 -0.484 644 H ASP 77 H ASP 77 5.261 -8.494 -0.390 645 HA ASP 77 HA ASP 77 3.046 -10.056 0.652 646 HB2 ASP 77 HB2 ASP 77 3.322 -9.950 -1.757 647 HB3 ASP 77 HB3 ASP 77 4.972 -10.548 -1.625 648 H LYS 78 H LYS 78 6.267 -9.636 1.398 649 HA LYS 78 HA LYS 78 6.675 -12.437 2.178 650 HB2 LYS 78 HB2 LYS 78 8.670 -10.178 2.325 651 HB3 LYS 78 HB3 LYS 78 9.004 -11.898 2.469 652 HG2 LYS 78 HG2 LYS 78 7.968 -10.535 0.004 653 HG3 LYS 78 HG3 LYS 78 9.651 -10.976 0.287 654 HD2 LYS 78 HD2 LYS 78 9.283 -13.090 -0.294 655 HD3 LYS 78 HD3 LYS 78 7.820 -13.197 0.686 656 HE2 LYS 78 HE2 LYS 78 7.107 -13.527 -1.532 657 HE3 LYS 78 HE3 LYS 78 6.679 -11.861 -1.142 658 HZ1 LYS 78 HZ1 LYS 78 7.662 -12.025 -3.333 659 HZ2 LYS 78 HZ2 LYS 78 9.061 -12.727 -2.692 660 HZ3 LYS 78 HZ3 LYS 78 8.668 -11.130 -2.309 661 H TYR 79 H TYR 79 7.467 -9.281 3.651 662 HA TYR 79 HA TYR 79 6.177 -10.204 6.116 663 HB2 TYR 79 HB2 TYR 79 8.880 -8.857 5.999 664 HB3 TYR 79 HB3 TYR 79 7.968 -9.142 7.472 665 HD1 TYR 79 HD2 TYR 79 7.352 -11.615 7.977 666 HD2 TYR 79 HD1 TYR 79 10.408 -10.448 5.257 667 HE1 TYR 79 HE2 TYR 79 8.380 -13.838 8.189 668 HE2 TYR 79 HE1 TYR 79 11.444 -12.669 5.459 669 HH TYR 79 HH TYR 79 11.502 -14.533 7.107 670 H GLY 80 H GLY 80 7.731 -7.369 4.600 671 HA2 GLY 80 HA2 GLY 80 6.681 -5.381 4.000 672 HA3 GLY 80 HA3 GLY 80 5.221 -5.927 4.817 673 H SER 81 H SER 81 6.401 -6.447 7.352 674 HA SER 81 HA SER 81 5.889 -4.105 8.656 675 HB2 SER 81 HB2 SER 81 6.035 -6.321 9.736 676 HB3 SER 81 HB3 SER 81 7.788 -6.268 9.587 677 HG SER 81 HG SER 81 6.463 -4.157 10.880 678 H LEU 82 H LEU 82 9.239 -5.361 8.348 679 HA LEU 82 HA LEU 82 10.245 -2.675 8.721 680 HB2 LEU 82 HB2 LEU 82 11.510 -4.371 9.795 681 HB3 LEU 82 HB3 LEU 82 11.588 -5.339 8.339 682 HG LEU 82 HG LEU 82 13.089 -3.697 7.308 683 HD11 LEU 82 HD11 LEU 82 14.055 -1.892 8.668 684 HD12 LEU 82 HD12 LEU 82 12.893 -2.254 9.947 685 HD13 LEU 82 HD13 LEU 82 12.331 -1.669 8.379 686 HD21 LEU 82 HD21 LEU 82 13.966 -4.626 10.036 687 HD22 LEU 82 HD22 LEU 82 15.038 -4.103 8.737 688 HD23 LEU 82 HD23 LEU 82 14.050 -5.549 8.535 689 H GLY 83 H GLY 83 10.690 -5.163 6.207 690 HA2 GLY 83 HA2 GLY 83 12.277 -3.789 4.478 691 HA3 GLY 83 HA3 GLY 83 11.124 -4.997 3.958 692 H LEU 84 H LEU 84 8.734 -3.564 4.525 693 HA LEU 84 HA LEU 84 8.641 -1.979 2.150 694 HB2 LEU 84 HB2 LEU 84 6.724 -3.310 2.858 695 HB3 LEU 84 HB3 LEU 84 6.586 -2.365 4.327 696 HG LEU 84 HG LEU 84 6.064 -0.363 2.944 697 HD11 LEU 84 HD11 LEU 84 5.440 -0.694 0.601 698 HD12 LEU 84 HD12 LEU 84 6.005 -2.362 0.688 699 HD13 LEU 84 HD13 LEU 84 7.148 -1.032 0.876 700 HD21 LEU 84 HD21 LEU 84 3.788 -1.041 2.399 701 HD22 LEU 84 HD22 LEU 84 4.291 -1.717 3.949 702 HD23 LEU 84 HD23 LEU 84 4.256 -2.737 2.512 703 H TYR 85 H TYR 85 8.280 -1.220 5.601 704 HA TYR 85 HA TYR 85 7.865 1.533 5.307 705 HB2 TYR 85 HB2 TYR 85 7.425 1.244 7.480 706 HB3 TYR 85 HB3 TYR 85 8.177 -0.344 7.445 707 HD1 TYR 85 HD2 TYR 85 10.497 -0.638 8.183 708 HD2 TYR 85 HD1 TYR 85 8.608 3.173 8.318 709 HE1 TYR 85 HE2 TYR 85 12.274 0.186 9.668 710 HE2 TYR 85 HE1 TYR 85 10.385 4.007 9.795 711 HH TYR 85 HH TYR 85 13.287 2.317 10.322 712 H VAL 86 H VAL 86 10.859 -0.324 5.614 713 HA VAL 86 HA VAL 86 12.464 2.040 5.843 714 HB VAL 86 HB VAL 86 13.291 0.099 6.938 715 HG11 VAL 86 HG11 VAL 86 13.842 -1.956 5.858 716 HG12 VAL 86 HG12 VAL 86 13.390 -1.303 4.284 717 HG13 VAL 86 HG13 VAL 86 12.158 -1.564 5.522 718 HG21 VAL 86 HG21 VAL 86 15.118 1.340 6.254 719 HG22 VAL 86 HG22 VAL 86 14.883 0.926 4.560 720 HG23 VAL 86 HG23 VAL 86 15.495 -0.290 5.685 721 H ALA 87 H ALA 87 11.366 -0.018 3.232 722 HA ALA 87 HA ALA 87 13.326 0.842 1.352 723 HB1 ALA 87 HB1 ALA 87 12.102 -1.262 1.100 724 HB2 ALA 87 HB2 ALA 87 11.983 -0.229 -0.323 725 HB3 ALA 87 HB3 ALA 87 10.624 -0.348 0.795 726 H GLU 88 H GLU 88 10.185 2.067 2.323 727 HA GLU 88 HA GLU 88 9.967 3.778 0.057 728 HB2 GLU 88 HB2 GLU 88 8.031 4.663 1.370 729 HB3 GLU 88 HB3 GLU 88 7.937 2.987 0.898 730 HG2 GLU 88 HG2 GLU 88 8.090 2.267 3.016 731 HG3 GLU 88 HG3 GLU 88 9.098 3.616 3.514 732 H GLN 89 H GLN 89 10.948 4.090 3.405 733 HA GLN 89 HA GLN 89 11.194 6.972 3.176 734 HB2 GLN 89 HB2 GLN 89 11.809 5.081 5.452 735 HB3 GLN 89 HB3 GLN 89 11.967 6.830 5.543 736 HG2 GLN 89 HG2 GLN 89 9.403 5.359 4.972 737 HG3 GLN 89 HG3 GLN 89 9.883 5.989 6.546 738 HE21 GLN 89 HE21 GLN 89 8.782 6.783 3.353 739 HE22 GLN 89 HE22 GLN 89 8.393 8.437 3.675 740 H PHE 90 H PHE 90 13.275 4.136 3.384 741 HA PHE 90 HA PHE 90 15.627 5.876 3.264 742 HB2 PHE 90 HB2 PHE 90 15.383 2.931 3.921 743 HB3 PHE 90 HB3 PHE 90 16.912 3.811 3.830 744 HD1 PHE 90 HD1 PHE 90 13.678 3.653 5.627 745 HD2 PHE 90 HD2 PHE 90 17.710 5.007 5.676 746 HE1 PHE 90 HE1 PHE 90 13.435 4.272 7.995 747 HE2 PHE 90 HE2 PHE 90 17.474 5.632 8.043 748 HZ PHE 90 HZ PHE 90 15.334 5.263 9.203 749 H GLY 91 H GLY 91 13.910 3.394 1.420 750 HA2 GLY 91 HA2 GLY 91 14.205 3.474 -1.005 751 HA3 GLY 91 HA3 GLY 91 15.911 3.805 -0.725 752 H GLU 92 H GLU 92 14.212 1.556 -2.023 753 HA GLU 92 HA GLU 92 14.448 -0.753 -0.412 754 HB2 GLU 92 HB2 GLU 92 14.443 -1.272 -3.282 755 HB3 GLU 92 HB3 GLU 92 13.285 -1.748 -2.047 756 HG2 GLU 92 HG2 GLU 92 11.980 -0.398 -3.302 757 HG3 GLU 92 HG3 GLU 92 12.625 0.774 -2.158 758 H GLU 93 H GLU 93 16.427 0.615 -2.945 759 HA GLU 93 HA GLU 93 18.334 -1.501 -3.020 760 HB2 GLU 93 HB2 GLU 93 19.731 0.097 -4.258 761 HB3 GLU 93 HB3 GLU 93 18.085 0.063 -4.878 762 HG2 GLU 93 HG2 GLU 93 17.614 2.093 -3.503 763 HG3 GLU 93 HG3 GLU 93 19.330 2.155 -3.115 764 H ASN 94 H ASN 94 17.731 1.034 -0.850 765 HA ASN 94 HA ASN 94 20.463 1.184 0.121 766 HB2 ASN 94 HB2 ASN 94 17.948 2.703 0.723 767 HB3 ASN 94 HB3 ASN 94 19.351 2.824 1.772 768 HD21 ASN 94 HD21 ASN 94 18.110 4.888 0.193 769 HD22 ASN 94 HD22 ASN 94 19.318 5.462 -0.909 770 H VAL 95 H VAL 95 17.318 0.077 1.146 771 HA VAL 95 HA VAL 95 17.433 -0.310 3.788 772 HB VAL 95 HB VAL 95 15.925 -2.138 3.656 773 HG11 VAL 95 HG11 VAL 95 14.249 -1.322 2.085 774 HG12 VAL 95 HG12 VAL 95 15.476 -0.317 1.313 775 HG13 VAL 95 HG13 VAL 95 15.011 -0.012 2.983 776 HG21 VAL 95 HG21 VAL 95 15.470 -3.404 1.637 777 HG22 VAL 95 HG22 VAL 95 17.171 -3.555 2.093 778 HG23 VAL 95 HG23 VAL 95 16.703 -2.488 0.767 779 H ASN 96 H ASN 96 19.233 -2.247 1.495 780 HA ASN 96 HA ASN 96 19.885 -4.459 3.038 781 HB2 ASN 96 HB2 ASN 96 20.359 -4.212 0.631 782 HB3 ASN 96 HB3 ASN 96 21.620 -3.042 1.008 783 HD21 ASN 96 HD21 ASN 96 20.674 -6.383 1.163 784 HD22 ASN 96 HD22 ASN 96 22.251 -7.024 1.458 785 H THR 97 H THR 97 20.855 -1.201 3.406 786 HA THR 97 HA THR 97 23.291 -1.601 4.794 787 HB THR 97 HB THR 97 22.646 0.554 3.770 788 HG1 THR 97 HG1 THR 97 23.681 1.705 5.278 789 HG21 THR 97 HG21 THR 97 20.280 0.618 4.277 790 HG22 THR 97 HG22 THR 97 21.065 2.043 4.967 791 HG23 THR 97 HG23 THR 97 20.624 0.689 6.009 792 H TYR 98 H TYR 98 19.930 -1.312 5.815 793 HA TYR 98 HA TYR 98 20.676 -1.619 8.612 794 HB2 TYR 98 HB2 TYR 98 18.921 0.016 7.959 795 HB3 TYR 98 HB3 TYR 98 17.933 -1.318 7.358 796 HD1 TYR 98 HD2 TYR 98 19.547 0.013 10.440 797 HD2 TYR 98 HD1 TYR 98 16.504 -2.467 8.801 798 HE1 TYR 98 HE2 TYR 98 18.574 -0.262 12.681 799 HE2 TYR 98 HE1 TYR 98 15.522 -2.749 11.035 800 HH TYR 98 HH TYR 98 16.505 -0.839 13.728 801 H PHE 99 H PHE 99 19.437 -3.390 5.937 802 HA PHE 99 HA PHE 99 18.700 -5.721 7.450 803 HB2 PHE 99 HB2 PHE 99 18.965 -5.072 4.532 804 HB3 PHE 99 HB3 PHE 99 18.804 -6.744 5.038 805 HD1 PHE 99 HD2 PHE 99 17.151 -3.485 4.865 806 HD2 PHE 99 HD1 PHE 99 16.737 -7.597 5.854 807 HE1 PHE 99 HE2 PHE 99 14.715 -3.214 4.925 808 HE2 PHE 99 HE1 PHE 99 14.286 -7.340 5.918 809 HZ PHE 99 HZ PHE 99 13.266 -5.141 5.455 810 H VAL 100 H VAL 100 19.873 -7.736 5.972 811 HA VAL 100 HA VAL 100 22.218 -8.253 7.295 812 HB VAL 100 HB VAL 100 20.983 -10.055 6.361 813 HG11 VAL 100 HG11 VAL 100 21.544 -8.893 3.636 814 HG12 VAL 100 HG12 VAL 100 19.985 -8.922 4.457 815 HG13 VAL 100 HG13 VAL 100 20.743 -10.433 3.951 816 HG21 VAL 100 HG21 VAL 100 22.705 -11.302 5.130 817 HG22 VAL 100 HG22 VAL 100 23.362 -10.461 6.534 818 HG23 VAL 100 HG23 VAL 100 23.615 -9.808 4.917 Start of MODEL 20 1 H1 MET -4 H1 MET -4 -30.697 -21.412 10.732 2 H2 MET -4 H2 MET -4 -31.837 -22.352 9.909 3 H3 MET -4 H3 MET -4 -31.520 -22.647 11.543 4 HA MET -4 HA MET -4 -33.607 -21.480 11.240 5 HB2 MET -4 HB2 MET -4 -32.302 -21.126 13.297 6 HB3 MET -4 HB3 MET -4 -31.439 -19.806 12.522 7 HG2 MET -4 HG2 MET -4 -33.593 -18.611 12.269 8 HG3 MET -4 HG3 MET -4 -34.374 -19.905 13.173 9 HE1 MET -4 HE1 MET -4 -30.786 -18.340 13.813 10 HE2 MET -4 HE2 MET -4 -31.204 -17.048 14.937 11 HE3 MET -4 HE3 MET -4 -31.779 -16.987 13.271 12 H ARG -3 H ARG -3 -34.418 -20.681 9.389 13 HA ARG -3 HA ARG -3 -33.076 -18.407 8.127 14 HB2 ARG -3 HB2 ARG -3 -35.324 -20.192 7.191 15 HB3 ARG -3 HB3 ARG -3 -34.775 -18.777 6.303 16 HG2 ARG -3 HG2 ARG -3 -32.541 -19.771 6.129 17 HG3 ARG -3 HG3 ARG -3 -33.126 -21.200 6.980 18 HD2 ARG -3 HD2 ARG -3 -34.656 -21.707 5.209 19 HD3 ARG -3 HD3 ARG -3 -34.294 -20.185 4.397 20 HE ARG -3 HE ARG -3 -31.921 -21.658 4.711 21 HH11 ARG -3 HH11 ARG -3 -34.908 -21.721 2.893 22 HH12 ARG -3 HH12 ARG -3 -34.210 -22.531 1.529 23 HH21 ARG -3 HH21 ARG -3 -30.991 -22.729 2.918 24 HH22 ARG -3 HH22 ARG -3 -31.981 -23.101 1.539 25 H SER -2 H SER -2 -33.659 -17.022 9.919 26 HA SER -2 HA SER -2 -36.341 -16.358 10.514 27 HB2 SER -2 HB2 SER -2 -33.876 -14.625 10.814 28 HB3 SER -2 HB3 SER -2 -35.399 -14.452 11.685 29 HG SER -2 HG SER -2 -33.811 -15.549 12.929 30 HA PRO -1 HA PRO -1 -37.038 -14.200 6.633 31 HB2 PRO -1 HB2 PRO -1 -39.617 -13.486 7.165 32 HB3 PRO -1 HB3 PRO -1 -39.149 -15.088 6.587 33 HG2 PRO -1 HG2 PRO -1 -39.782 -14.185 9.362 34 HG3 PRO -1 HG3 PRO -1 -40.222 -15.696 8.547 35 HD2 PRO -1 HD2 PRO -1 -38.186 -15.522 10.331 36 HD3 PRO -1 HD3 PRO -1 -38.179 -16.665 8.973 37 H GLY 0 H GLY 0 -36.391 -12.199 6.234 38 HA2 GLY 0 HA2 GLY 0 -36.733 -9.827 6.407 39 HA3 GLY 0 HA3 GLY 0 -37.177 -10.059 8.092 40 H MET 1 H MET 1 -34.589 -12.017 7.427 41 HA MET 1 HA MET 1 -32.801 -10.579 9.054 42 HB2 MET 1 HB2 MET 1 -31.116 -12.221 8.376 43 HB3 MET 1 HB3 MET 1 -32.639 -13.007 8.764 44 HG2 MET 1 HG2 MET 1 -33.138 -13.323 6.445 45 HG3 MET 1 HG3 MET 1 -31.743 -12.360 5.966 46 HE1 MET 1 HE1 MET 1 -32.938 -15.689 7.681 47 HE2 MET 1 HE2 MET 1 -31.861 -15.000 8.894 48 HE3 MET 1 HE3 MET 1 -31.401 -16.473 8.040 49 H ALA 2 H ALA 2 -30.978 -9.383 8.590 50 HA ALA 2 HA ALA 2 -31.079 -7.801 6.226 51 HB1 ALA 2 HB1 ALA 2 -28.934 -7.958 8.339 52 HB2 ALA 2 HB2 ALA 2 -30.337 -6.891 8.370 53 HB3 ALA 2 HB3 ALA 2 -29.106 -6.692 7.125 54 H ASP 3 H ASP 3 -29.932 -7.921 4.408 55 HA ASP 3 HA ASP 3 -28.461 -10.349 3.871 56 HB2 ASP 3 HB2 ASP 3 -30.031 -9.486 2.210 57 HB3 ASP 3 HB3 ASP 3 -29.133 -7.978 2.118 58 H GLN 4 H GLN 4 -26.335 -10.548 4.090 59 HA GLN 4 HA GLN 4 -24.738 -8.090 4.299 60 HB2 GLN 4 HB2 GLN 4 -23.101 -9.501 5.559 61 HB3 GLN 4 HB3 GLN 4 -24.658 -9.316 6.352 62 HG2 GLN 4 HG2 GLN 4 -25.321 -11.525 5.662 63 HG3 GLN 4 HG3 GLN 4 -23.839 -11.712 4.728 64 HE21 GLN 4 HE21 GLN 4 -23.218 -13.525 5.866 65 HE22 GLN 4 HE22 GLN 4 -22.646 -13.450 7.495 66 H ARG 5 H ARG 5 -23.485 -7.637 2.650 67 HA ARG 5 HA ARG 5 -22.367 -9.858 1.060 68 HB2 ARG 5 HB2 ARG 5 -23.010 -7.059 0.101 69 HB3 ARG 5 HB3 ARG 5 -22.356 -8.365 -0.877 70 HG2 ARG 5 HG2 ARG 5 -25.049 -8.408 0.466 71 HG3 ARG 5 HG3 ARG 5 -24.765 -7.989 -1.224 72 HD2 ARG 5 HD2 ARG 5 -23.991 -10.185 -1.720 73 HD3 ARG 5 HD3 ARG 5 -23.935 -10.616 -0.011 74 HE ARG 5 HE ARG 5 -26.513 -10.057 -0.273 75 HH11 ARG 5 HH11 ARG 5 -24.424 -11.920 -2.398 76 HH12 ARG 5 HH12 ARG 5 -25.701 -12.969 -2.925 77 HH21 ARG 5 HH21 ARG 5 -28.165 -11.456 -0.930 78 HH22 ARG 5 HH22 ARG 5 -27.835 -12.712 -2.082 79 H GLN 6 H GLN 6 -21.828 -6.784 2.609 80 HA GLN 6 HA GLN 6 -19.088 -6.598 1.675 81 HB2 GLN 6 HB2 GLN 6 -20.703 -4.839 3.518 82 HB3 GLN 6 HB3 GLN 6 -19.071 -4.484 2.972 83 HG2 GLN 6 HG2 GLN 6 -19.828 -4.334 0.690 84 HG3 GLN 6 HG3 GLN 6 -21.456 -4.807 1.170 85 HE21 GLN 6 HE21 GLN 6 -21.375 -3.218 3.618 86 HE22 GLN 6 HE22 GLN 6 -21.561 -1.572 3.118 87 H ARG 7 H ARG 7 -19.422 -8.901 3.171 88 HA ARG 7 HA ARG 7 -18.357 -8.263 5.802 89 HB2 ARG 7 HB2 ARG 7 -20.172 -9.755 5.959 90 HB3 ARG 7 HB3 ARG 7 -19.620 -10.705 4.588 91 HG2 ARG 7 HG2 ARG 7 -19.270 -11.910 6.635 92 HG3 ARG 7 HG3 ARG 7 -17.727 -11.481 5.895 93 HD2 ARG 7 HD2 ARG 7 -17.650 -9.499 7.424 94 HD3 ARG 7 HD3 ARG 7 -19.063 -10.155 8.248 95 HE ARG 7 HE ARG 7 -17.362 -12.217 8.368 96 HH11 ARG 7 HH11 ARG 7 -16.944 -8.817 9.088 97 HH12 ARG 7 HH12 ARG 7 -15.720 -9.091 10.286 98 HH21 ARG 7 HH21 ARG 7 -15.746 -12.581 9.933 99 HH22 ARG 7 HH22 ARG 7 -15.029 -11.234 10.762 100 H SER 8 H SER 8 -17.746 -10.734 3.305 101 HA SER 8 HA SER 8 -15.070 -11.092 4.339 102 HB2 SER 8 HB2 SER 8 -16.499 -13.025 3.802 103 HB3 SER 8 HB3 SER 8 -16.504 -12.541 2.109 104 HG SER 8 HG SER 8 -14.007 -12.815 3.295 105 H LEU 9 H LEU 9 -16.636 -9.830 1.441 106 HA LEU 9 HA LEU 9 -14.179 -9.677 -0.032 107 HB2 LEU 9 HB2 LEU 9 -15.539 -8.430 -1.710 108 HB3 LEU 9 HB3 LEU 9 -16.127 -10.030 -1.317 109 HG LEU 9 HG LEU 9 -17.766 -8.831 0.273 110 HD11 LEU 9 HD11 LEU 9 -18.369 -6.557 -0.395 111 HD12 LEU 9 HD12 LEU 9 -16.990 -6.516 -1.494 112 HD13 LEU 9 HD13 LEU 9 -16.728 -6.633 0.246 113 HD21 LEU 9 HD21 LEU 9 -19.346 -8.471 -1.558 114 HD22 LEU 9 HD22 LEU 9 -18.430 -9.965 -1.769 115 HD23 LEU 9 HD23 LEU 9 -18.016 -8.535 -2.714 116 H SER 10 H SER 10 -15.435 -7.798 2.414 117 HA SER 10 HA SER 10 -14.298 -5.311 1.469 118 HB2 SER 10 HB2 SER 10 -15.550 -6.024 4.110 119 HB3 SER 10 HB3 SER 10 -15.049 -4.405 3.635 120 HG SER 10 HG SER 10 -16.994 -4.284 2.852 121 H THR 11 H THR 11 -13.599 -7.791 3.888 122 HA THR 11 HA THR 11 -11.041 -6.503 4.452 123 HB THR 11 HB THR 11 -10.955 -8.534 6.125 124 HG1 THR 11 HG1 THR 11 -12.740 -9.675 6.026 125 HG21 THR 11 HG21 THR 11 -12.812 -6.188 6.540 126 HG22 THR 11 HG22 THR 11 -11.062 -6.157 6.746 127 HG23 THR 11 HG23 THR 11 -12.055 -7.153 7.807 128 H SER 12 H SER 12 -9.704 -6.961 2.809 129 HA SER 12 HA SER 12 -9.548 -9.704 1.800 130 HB2 SER 12 HB2 SER 12 -8.099 -8.515 0.027 131 HB3 SER 12 HB3 SER 12 -9.831 -8.177 0.034 132 HG SER 12 HG SER 12 -8.551 -6.266 -0.114 133 H GLY 13 H GLY 13 -7.723 -7.293 3.522 134 HA2 GLY 13 HA2 GLY 13 -5.915 -7.920 4.963 135 HA3 GLY 13 HA3 GLY 13 -5.548 -9.244 3.865 136 H GLU 14 H GLU 14 -6.207 -6.769 1.892 137 HA GLU 14 HA GLU 14 -3.382 -6.183 1.483 138 HB2 GLU 14 HB2 GLU 14 -4.057 -5.326 -0.670 139 HB3 GLU 14 HB3 GLU 14 -4.844 -6.877 -0.417 140 HG2 GLU 14 HG2 GLU 14 -6.811 -5.443 0.464 141 HG3 GLU 14 HG3 GLU 14 -6.020 -4.137 -0.415 142 H SER 15 H SER 15 -2.565 -4.053 1.404 143 HA SER 15 HA SER 15 -4.200 -2.180 2.982 144 HB2 SER 15 HB2 SER 15 -1.181 -2.266 2.830 145 HB3 SER 15 HB3 SER 15 -2.168 -1.336 3.959 146 HG SER 15 HG SER 15 -1.222 -3.464 4.665 147 H LEU 16 H LEU 16 -1.440 -1.992 0.695 148 HA LEU 16 HA LEU 16 -1.896 0.700 0.020 149 HB2 LEU 16 HB2 LEU 16 -0.385 -1.497 -1.370 150 HB3 LEU 16 HB3 LEU 16 -0.458 0.128 -2.005 151 HG LEU 16 HG LEU 16 1.615 -0.225 -0.860 152 HD11 LEU 16 HD11 LEU 16 -0.258 1.625 0.582 153 HD12 LEU 16 HD12 LEU 16 0.858 2.014 -0.732 154 HD13 LEU 16 HD13 LEU 16 1.480 1.592 0.863 155 HD21 LEU 16 HD21 LEU 16 -0.016 -0.855 1.583 156 HD22 LEU 16 HD22 LEU 16 1.737 -0.658 1.541 157 HD23 LEU 16 HD23 LEU 16 0.976 -1.986 0.663 158 H TYR 17 H TYR 17 -2.643 -2.283 -1.715 159 HA TYR 17 HA TYR 17 -3.966 -1.294 -3.916 160 HB2 TYR 17 HB2 TYR 17 -4.719 -3.712 -2.259 161 HB3 TYR 17 HB3 TYR 17 -5.322 -3.382 -3.875 162 HD1 TYR 17 HD2 TYR 17 -3.771 -3.502 -5.819 163 HD2 TYR 17 HD1 TYR 17 -2.556 -4.660 -1.909 164 HE1 TYR 17 HE2 TYR 17 -1.830 -4.672 -6.773 165 HE2 TYR 17 HE1 TYR 17 -0.611 -5.835 -2.849 166 HH TYR 17 HH TYR 17 0.217 -6.727 -4.854 167 H HIS 18 H HIS 18 -5.150 -1.617 -0.627 168 HA HIS 18 HA HIS 18 -7.894 -1.199 -1.225 169 HB2 HIS 18 HB2 HIS 18 -7.079 -2.411 0.776 170 HB3 HIS 18 HB3 HIS 18 -6.452 -0.898 1.415 171 HD1 HIS 18 HD1 HIS 18 -8.022 0.457 2.809 172 HD2 HIS 18 HD2 HIS 18 -9.985 -2.427 0.543 173 HE1 HIS 18 HE1 HIS 18 -10.419 0.524 3.563 174 HE2 HIS 18 HE2 HIS 18 -11.591 -1.233 2.190 175 H VAL 19 H VAL 19 -5.233 0.954 -0.577 176 HA VAL 19 HA VAL 19 -6.849 3.196 0.188 177 HB VAL 19 HB VAL 19 -4.937 4.300 0.594 178 HG11 VAL 19 HG11 VAL 19 -4.221 2.327 1.591 179 HG12 VAL 19 HG12 VAL 19 -2.844 2.816 0.598 180 HG13 VAL 19 HG13 VAL 19 -3.918 1.541 0.045 181 HG21 VAL 19 HG21 VAL 19 -4.455 5.055 -1.573 182 HG22 VAL 19 HG22 VAL 19 -4.040 3.434 -2.146 183 HG23 VAL 19 HG23 VAL 19 -2.959 4.285 -1.031 184 H LEU 20 H LEU 20 -5.675 1.843 -2.760 185 HA LEU 20 HA LEU 20 -6.401 4.191 -4.320 186 HB2 LEU 20 HB2 LEU 20 -4.948 1.637 -4.906 187 HB3 LEU 20 HB3 LEU 20 -5.500 2.674 -6.211 188 HG LEU 20 HG LEU 20 -3.531 3.398 -4.040 189 HD11 LEU 20 HD11 LEU 20 -2.590 1.940 -5.731 190 HD12 LEU 20 HD12 LEU 20 -1.943 3.573 -5.889 191 HD13 LEU 20 HD13 LEU 20 -3.186 3.006 -7.006 192 HD21 LEU 20 HD21 LEU 20 -4.699 5.042 -6.277 193 HD22 LEU 20 HD22 LEU 20 -3.251 5.484 -5.371 194 HD23 LEU 20 HD23 LEU 20 -4.798 5.351 -4.541 195 H GLY 21 H GLY 21 -7.780 1.369 -3.229 196 HA2 GLY 21 HA2 GLY 21 -9.962 0.673 -3.450 197 HA3 GLY 21 HA3 GLY 21 -10.200 1.906 -4.677 198 H LEU 22 H LEU 22 -7.536 -0.178 -5.176 199 HA LEU 22 HA LEU 22 -9.111 -1.676 -7.156 200 HB2 LEU 22 HB2 LEU 22 -6.867 -1.925 -8.350 201 HB3 LEU 22 HB3 LEU 22 -7.663 -0.371 -8.433 202 HG LEU 22 HG LEU 22 -6.127 0.267 -6.443 203 HD11 LEU 22 HD11 LEU 22 -4.595 -2.062 -7.588 204 HD12 LEU 22 HD12 LEU 22 -5.298 -1.974 -5.972 205 HD13 LEU 22 HD13 LEU 22 -3.982 -0.889 -6.422 206 HD21 LEU 22 HD21 LEU 22 -6.000 1.216 -8.687 207 HD22 LEU 22 HD22 LEU 22 -4.993 -0.140 -9.206 208 HD23 LEU 22 HD23 LEU 22 -4.403 0.986 -7.982 209 H ASP 23 H ASP 23 -8.168 -3.808 -7.721 210 HA ASP 23 HA ASP 23 -7.447 -5.210 -5.253 211 HB2 ASP 23 HB2 ASP 23 -9.373 -5.906 -6.811 212 HB3 ASP 23 HB3 ASP 23 -8.122 -6.489 -7.883 213 H LYS 24 H LYS 24 -6.247 -7.380 -6.187 214 HA LYS 24 HA LYS 24 -3.560 -6.357 -6.631 215 HB2 LYS 24 HB2 LYS 24 -4.445 -9.200 -6.120 216 HB3 LYS 24 HB3 LYS 24 -2.849 -8.504 -5.855 217 HG2 LYS 24 HG2 LYS 24 -3.451 -7.491 -3.923 218 HG3 LYS 24 HG3 LYS 24 -5.112 -7.254 -4.467 219 HD2 LYS 24 HD2 LYS 24 -4.142 -10.019 -3.922 220 HD3 LYS 24 HD3 LYS 24 -4.591 -8.974 -2.568 221 HE2 LYS 24 HE2 LYS 24 -6.371 -9.435 -4.948 222 HE3 LYS 24 HE3 LYS 24 -6.436 -10.436 -3.496 223 HZ1 LYS 24 HZ1 LYS 24 -6.609 -7.519 -3.197 224 HZ2 LYS 24 HZ2 LYS 24 -7.325 -8.748 -2.273 225 HZ3 LYS 24 HZ3 LYS 24 -7.968 -8.350 -3.788 226 H ASN 25 H ASN 25 -5.766 -6.687 -8.677 227 HA ASN 25 HA ASN 25 -4.265 -8.287 -10.631 228 HB2 ASN 25 HB2 ASN 25 -7.238 -7.921 -10.267 229 HB3 ASN 25 HB3 ASN 25 -6.539 -8.561 -11.752 230 HD21 ASN 25 HD21 ASN 25 -6.936 -9.105 -8.297 231 HD22 ASN 25 HD22 ASN 25 -6.675 -10.812 -8.369 232 H ALA 26 H ALA 26 -4.629 -5.321 -9.689 233 HA ALA 26 HA ALA 26 -5.287 -3.985 -12.156 234 HB1 ALA 26 HB1 ALA 26 -4.501 -1.945 -10.970 235 HB2 ALA 26 HB2 ALA 26 -4.078 -2.967 -9.584 236 HB3 ALA 26 HB3 ALA 26 -5.762 -2.828 -10.093 237 H THR 27 H THR 27 -3.786 -2.681 -13.320 238 HA THR 27 HA THR 27 -1.083 -3.844 -13.312 239 HB THR 27 HB THR 27 -2.352 -4.233 -15.406 240 HG1 THR 27 HG1 THR 27 -0.710 -3.068 -16.800 241 HG21 THR 27 HG21 THR 27 -2.312 -1.227 -15.688 242 HG22 THR 27 HG22 THR 27 -3.740 -2.203 -15.350 243 HG23 THR 27 HG23 THR 27 -2.897 -2.379 -16.889 244 H SER 28 H SER 28 0.489 -2.131 -14.445 245 HA SER 28 HA SER 28 1.012 -0.156 -12.619 246 HB2 SER 28 HB2 SER 28 1.672 -0.008 -15.565 247 HB3 SER 28 HB3 SER 28 2.557 0.753 -14.242 248 HG SER 28 HG SER 28 3.072 -1.338 -13.476 249 H ASP 29 H ASP 29 -0.906 0.014 -15.535 250 HA ASP 29 HA ASP 29 -1.410 2.752 -15.601 251 HB2 ASP 29 HB2 ASP 29 -3.209 0.488 -16.489 252 HB3 ASP 29 HB3 ASP 29 -3.422 2.180 -16.923 253 H ASP 30 H ASP 30 -3.336 0.150 -14.035 254 HA ASP 30 HA ASP 30 -5.406 1.912 -13.246 255 HB2 ASP 30 HB2 ASP 30 -4.627 -0.891 -12.571 256 HB3 ASP 30 HB3 ASP 30 -5.797 -0.074 -11.537 257 H ILE 31 H ILE 31 -2.522 0.688 -11.684 258 HA ILE 31 HA ILE 31 -3.086 1.685 -9.107 259 HB ILE 31 HB ILE 31 -0.467 0.918 -10.393 260 HG12 ILE 31 HG12 ILE 31 -1.960 -0.714 -8.377 261 HG13 ILE 31 HG13 ILE 31 -2.511 -0.717 -10.048 262 HG21 ILE 31 HG21 ILE 31 -1.132 1.326 -7.479 263 HG22 ILE 31 HG22 ILE 31 -0.088 2.352 -8.462 264 HG23 ILE 31 HG23 ILE 31 0.386 0.692 -8.112 265 HD11 ILE 31 HD11 ILE 31 -0.990 -2.581 -9.460 266 HD12 ILE 31 HD12 ILE 31 0.291 -1.392 -9.203 267 HD13 ILE 31 HD13 ILE 31 -0.432 -1.580 -10.803 268 H LYS 32 H LYS 32 -1.083 2.978 -11.756 269 HA LYS 32 HA LYS 32 -0.226 5.229 -10.221 270 HB2 LYS 32 HB2 LYS 32 -0.079 4.689 -13.187 271 HB3 LYS 32 HB3 LYS 32 0.676 6.059 -12.388 272 HG2 LYS 32 HG2 LYS 32 2.127 4.622 -11.148 273 HG3 LYS 32 HG3 LYS 32 1.271 3.188 -11.719 274 HD2 LYS 32 HD2 LYS 32 1.935 3.788 -14.037 275 HD3 LYS 32 HD3 LYS 32 2.895 5.113 -13.377 276 HE2 LYS 32 HE2 LYS 32 3.272 2.231 -12.607 277 HE3 LYS 32 HE3 LYS 32 4.168 3.017 -13.904 278 HZ1 LYS 32 HZ1 LYS 32 5.028 4.601 -12.292 279 HZ2 LYS 32 HZ2 LYS 32 5.429 3.021 -11.852 280 HZ3 LYS 32 HZ3 LYS 32 4.182 3.832 -11.047 281 H LYS 33 H LYS 33 -2.790 4.724 -12.630 282 HA LYS 33 HA LYS 33 -3.589 7.425 -12.758 283 HB2 LYS 33 HB2 LYS 33 -5.236 4.927 -13.160 284 HB3 LYS 33 HB3 LYS 33 -5.720 6.550 -13.632 285 HG2 LYS 33 HG2 LYS 33 -3.634 6.604 -15.055 286 HG3 LYS 33 HG3 LYS 33 -3.495 4.880 -14.746 287 HD2 LYS 33 HD2 LYS 33 -5.874 6.239 -16.005 288 HD3 LYS 33 HD3 LYS 33 -4.635 5.328 -16.869 289 HE2 LYS 33 HE2 LYS 33 -5.251 3.303 -15.737 290 HE3 LYS 33 HE3 LYS 33 -6.366 4.177 -14.689 291 HZ1 LYS 33 HZ1 LYS 33 -6.643 3.919 -17.629 292 HZ2 LYS 33 HZ2 LYS 33 -7.733 4.682 -16.589 293 HZ3 LYS 33 HZ3 LYS 33 -7.497 3.011 -16.489 294 H SER 34 H SER 34 -4.836 4.724 -10.766 295 HA SER 34 HA SER 34 -6.783 6.139 -9.392 296 HB2 SER 34 HB2 SER 34 -5.103 3.817 -8.447 297 HB3 SER 34 HB3 SER 34 -6.548 4.408 -7.622 298 HG SER 34 HG SER 34 -6.298 2.999 -10.017 299 H TYR 35 H TYR 35 -3.347 5.921 -8.849 300 HA TYR 35 HA TYR 35 -3.080 7.235 -6.445 301 HB2 TYR 35 HB2 TYR 35 -1.137 6.381 -7.491 302 HB3 TYR 35 HB3 TYR 35 -1.427 7.300 -8.963 303 HD1 TYR 35 HD1 TYR 35 -1.184 8.240 -5.327 304 HD2 TYR 35 HD2 TYR 35 0.242 8.851 -9.287 305 HE1 TYR 35 HE1 TYR 35 0.311 10.002 -4.509 306 HE2 TYR 35 HE2 TYR 35 1.744 10.615 -8.473 307 HH TYR 35 HH TYR 35 2.382 11.106 -5.155 308 H ARG 36 H ARG 36 -3.373 8.656 -9.682 309 HA ARG 36 HA ARG 36 -3.205 11.338 -8.854 310 HB2 ARG 36 HB2 ARG 36 -4.591 10.218 -11.296 311 HB3 ARG 36 HB3 ARG 36 -4.065 11.882 -11.074 312 HG2 ARG 36 HG2 ARG 36 -2.240 9.490 -11.151 313 HG3 ARG 36 HG3 ARG 36 -2.549 10.573 -12.505 314 HD2 ARG 36 HD2 ARG 36 -1.616 12.435 -11.259 315 HD3 ARG 36 HD3 ARG 36 -1.391 11.406 -9.846 316 HE ARG 36 HE ARG 36 -0.046 10.335 -12.099 317 HH11 ARG 36 HH11 ARG 36 0.188 12.924 -9.751 318 HH12 ARG 36 HH12 ARG 36 1.921 12.969 -9.781 319 HH21 ARG 36 HH21 ARG 36 2.236 10.406 -12.159 320 HH22 ARG 36 HH22 ARG 36 3.089 11.549 -11.172 321 H LYS 37 H LYS 37 -6.083 9.456 -9.812 322 HA LYS 37 HA LYS 37 -8.033 11.337 -9.422 323 HB2 LYS 37 HB2 LYS 37 -8.897 8.720 -8.470 324 HB3 LYS 37 HB3 LYS 37 -9.451 9.652 -9.853 325 HG2 LYS 37 HG2 LYS 37 -7.606 8.862 -11.164 326 HG3 LYS 37 HG3 LYS 37 -6.943 8.037 -9.761 327 HD2 LYS 37 HD2 LYS 37 -9.443 7.381 -11.266 328 HD3 LYS 37 HD3 LYS 37 -7.973 6.417 -11.079 329 HE2 LYS 37 HE2 LYS 37 -8.457 6.222 -8.660 330 HE3 LYS 37 HE3 LYS 37 -9.955 7.109 -8.913 331 HZ1 LYS 37 HZ1 LYS 37 -10.753 5.358 -10.325 332 HZ2 LYS 37 HZ2 LYS 37 -10.278 4.696 -8.843 333 HZ3 LYS 37 HZ3 LYS 37 -9.288 4.521 -10.202 334 H LEU 38 H LEU 38 -6.470 9.392 -6.948 335 HA LEU 38 HA LEU 38 -8.281 10.388 -4.890 336 HB2 LEU 38 HB2 LEU 38 -5.981 8.446 -4.867 337 HB3 LEU 38 HB3 LEU 38 -6.894 8.899 -3.440 338 HG LEU 38 HG LEU 38 -8.211 7.708 -5.871 339 HD11 LEU 38 HD11 LEU 38 -6.546 6.133 -5.142 340 HD12 LEU 38 HD12 LEU 38 -8.149 5.556 -4.685 341 HD13 LEU 38 HD13 LEU 38 -7.091 6.278 -3.472 342 HD21 LEU 38 HD21 LEU 38 -9.033 7.940 -2.980 343 HD22 LEU 38 HD22 LEU 38 -9.941 7.091 -4.230 344 HD23 LEU 38 HD23 LEU 38 -9.706 8.834 -4.342 345 H ALA 39 H ALA 39 -5.019 10.792 -6.038 346 HA ALA 39 HA ALA 39 -3.763 11.986 -3.889 347 HB1 ALA 39 HB1 ALA 39 -2.615 11.293 -5.935 348 HB2 ALA 39 HB2 ALA 39 -2.198 12.943 -5.467 349 HB3 ALA 39 HB3 ALA 39 -3.331 12.660 -6.790 350 H LEU 40 H LEU 40 -5.490 13.711 -6.524 351 HA LEU 40 HA LEU 40 -5.059 16.219 -5.224 352 HB2 LEU 40 HB2 LEU 40 -7.042 16.958 -6.814 353 HB3 LEU 40 HB3 LEU 40 -5.395 16.805 -7.361 354 HG LEU 40 HG LEU 40 -7.217 15.951 -8.885 355 HD11 LEU 40 HD11 LEU 40 -5.905 13.982 -9.589 356 HD12 LEU 40 HD12 LEU 40 -4.959 14.136 -8.109 357 HD13 LEU 40 HD13 LEU 40 -4.933 15.427 -9.310 358 HD21 LEU 40 HD21 LEU 40 -8.539 14.783 -7.164 359 HD22 LEU 40 HD22 LEU 40 -7.246 13.589 -7.038 360 HD23 LEU 40 HD23 LEU 40 -8.127 13.776 -8.552 361 H LYS 41 H LYS 41 -7.656 13.955 -5.363 362 HA LYS 41 HA LYS 41 -9.644 15.155 -3.897 363 HB2 LYS 41 HB2 LYS 41 -9.974 13.046 -4.937 364 HB3 LYS 41 HB3 LYS 41 -8.646 12.322 -4.051 365 HG2 LYS 41 HG2 LYS 41 -10.004 12.624 -1.966 366 HG3 LYS 41 HG3 LYS 41 -11.358 13.073 -3.011 367 HD2 LYS 41 HD2 LYS 41 -11.096 10.937 -4.212 368 HD3 LYS 41 HD3 LYS 41 -9.813 10.490 -3.094 369 HE2 LYS 41 HE2 LYS 41 -11.853 9.439 -2.430 370 HE3 LYS 41 HE3 LYS 41 -11.408 10.657 -1.237 371 HZ1 LYS 41 HZ1 LYS 41 -13.022 12.156 -2.182 372 HZ2 LYS 41 HZ2 LYS 41 -13.778 10.701 -1.773 373 HZ3 LYS 41 HZ3 LYS 41 -13.417 11.040 -3.390 374 H TYR 42 H TYR 42 -6.620 13.745 -2.749 375 HA TYR 42 HA TYR 42 -7.300 14.719 -0.050 376 HB2 TYR 42 HB2 TYR 42 -5.674 12.321 -0.887 377 HB3 TYR 42 HB3 TYR 42 -5.605 12.992 0.742 378 HD1 TYR 42 HD2 TYR 42 -7.838 13.138 2.040 379 HD2 TYR 42 HD1 TYR 42 -7.301 10.765 -1.446 380 HE1 TYR 42 HE2 TYR 42 -9.822 11.810 2.638 381 HE2 TYR 42 HE1 TYR 42 -9.276 9.433 -0.853 382 HH TYR 42 HH TYR 42 -10.535 8.851 1.252 383 H HIS 43 H HIS 43 -6.040 16.218 -2.236 384 HA HIS 43 HA HIS 43 -3.231 16.288 -1.936 385 HB2 HIS 43 HB2 HIS 43 -4.865 17.267 -3.781 386 HB3 HIS 43 HB3 HIS 43 -4.760 18.708 -2.787 387 HD1 HIS 43 HD1 HIS 43 -2.935 20.249 -3.420 388 HD2 HIS 43 HD2 HIS 43 -2.108 16.325 -4.525 389 HE1 HIS 43 HE1 HIS 43 -0.747 20.339 -4.651 390 HE2 HIS 43 HE2 HIS 43 -0.174 17.933 -5.130 391 HA PRO 44 HA PRO 44 -2.248 18.066 1.899 392 HB2 PRO 44 HB2 PRO 44 -0.964 20.412 0.835 393 HB3 PRO 44 HB3 PRO 44 -0.233 18.970 1.532 394 HG2 PRO 44 HG2 PRO 44 -0.716 19.657 -1.287 395 HG3 PRO 44 HG3 PRO 44 0.482 18.553 -0.584 396 HD2 PRO 44 HD2 PRO 44 -1.632 17.637 -1.930 397 HD3 PRO 44 HD3 PRO 44 -1.032 16.784 -0.494 398 H ASP 45 H ASP 45 -3.413 20.602 -0.380 399 HA ASP 45 HA ASP 45 -4.171 22.231 1.874 400 HB2 ASP 45 HB2 ASP 45 -3.271 23.167 -0.285 401 HB3 ASP 45 HB3 ASP 45 -4.813 22.749 -1.027 402 H LYS 46 H LYS 46 -5.636 19.737 0.223 403 HA LYS 46 HA LYS 46 -8.380 20.499 0.614 404 HB2 LYS 46 HB2 LYS 46 -7.201 17.726 0.399 405 HB3 LYS 46 HB3 LYS 46 -8.850 18.194 0.067 406 HG2 LYS 46 HG2 LYS 46 -6.834 19.581 -1.532 407 HG3 LYS 46 HG3 LYS 46 -6.926 17.847 -1.791 408 HD2 LYS 46 HD2 LYS 46 -9.226 19.789 -2.012 409 HD3 LYS 46 HD3 LYS 46 -8.321 19.089 -3.355 410 HE2 LYS 46 HE2 LYS 46 -9.790 17.437 -3.378 411 HE3 LYS 46 HE3 LYS 46 -9.091 16.900 -1.856 412 HZ1 LYS 46 HZ1 LYS 46 -11.478 17.119 -1.675 413 HZ2 LYS 46 HZ2 LYS 46 -11.406 18.738 -2.153 414 HZ3 LYS 46 HZ3 LYS 46 -10.725 18.262 -0.682 415 H ASN 47 H ASN 47 -5.904 19.853 2.692 416 HA ASN 47 HA ASN 47 -7.403 18.089 4.475 417 HB2 ASN 47 HB2 ASN 47 -4.517 18.939 4.617 418 HB3 ASN 47 HB3 ASN 47 -5.284 17.738 5.631 419 HD21 ASN 47 HD21 ASN 47 -5.733 18.107 2.164 420 HD22 ASN 47 HD22 ASN 47 -5.055 16.578 1.754 421 HA PRO 48 HA PRO 48 -8.027 21.593 7.216 422 HB2 PRO 48 HB2 PRO 48 -9.477 19.653 8.828 423 HB3 PRO 48 HB3 PRO 48 -10.091 21.094 8.018 424 HG2 PRO 48 HG2 PRO 48 -10.733 18.589 7.225 425 HG3 PRO 48 HG3 PRO 48 -10.600 19.942 6.087 426 HD2 PRO 48 HD2 PRO 48 -8.611 17.780 6.698 427 HD3 PRO 48 HD3 PRO 48 -9.092 18.454 5.126 428 H ASP 49 H ASP 49 -8.463 20.853 9.873 429 HA ASP 49 HA ASP 49 -5.828 20.808 10.837 430 HB2 ASP 49 HB2 ASP 49 -7.878 21.816 11.872 431 HB3 ASP 49 HB3 ASP 49 -8.360 20.191 12.345 432 H ASN 50 H ASN 50 -8.234 18.316 10.354 433 HA ASN 50 HA ASN 50 -6.831 16.298 11.817 434 HB2 ASN 50 HB2 ASN 50 -8.476 14.756 10.646 435 HB3 ASN 50 HB3 ASN 50 -9.178 15.996 11.669 436 HD21 ASN 50 HD21 ASN 50 -8.862 14.766 8.486 437 HD22 ASN 50 HD22 ASN 50 -9.973 15.840 7.721 438 HA PRO 51 HA PRO 51 -3.996 15.388 8.469 439 HB2 PRO 51 HB2 PRO 51 -2.470 13.635 9.805 440 HB3 PRO 51 HB3 PRO 51 -2.410 15.367 10.156 441 HG2 PRO 51 HG2 PRO 51 -3.840 13.186 11.623 442 HG3 PRO 51 HG3 PRO 51 -2.904 14.543 12.272 443 HD2 PRO 51 HD2 PRO 51 -5.639 14.512 12.109 444 HD3 PRO 51 HD3 PRO 51 -4.666 15.994 12.104 445 H GLU 52 H GLU 52 -6.600 13.846 9.170 446 HA GLU 52 HA GLU 52 -6.240 11.100 8.720 447 HB2 GLU 52 HB2 GLU 52 -8.323 12.124 9.572 448 HB3 GLU 52 HB3 GLU 52 -8.562 12.901 8.010 449 HG2 GLU 52 HG2 GLU 52 -8.851 10.763 6.948 450 HG3 GLU 52 HG3 GLU 52 -8.501 9.924 8.459 451 H ALA 53 H ALA 53 -6.945 13.793 6.609 452 HA ALA 53 HA ALA 53 -7.059 12.317 4.201 453 HB1 ALA 53 HB1 ALA 53 -8.180 14.457 4.560 454 HB2 ALA 53 HB2 ALA 53 -7.114 14.511 3.151 455 HB3 ALA 53 HB3 ALA 53 -6.613 15.258 4.669 456 H ALA 54 H ALA 54 -4.520 13.793 6.034 457 HA ALA 54 HA ALA 54 -2.530 13.801 3.988 458 HB1 ALA 54 HB1 ALA 54 -0.964 14.201 5.815 459 HB2 ALA 54 HB2 ALA 54 -2.212 13.795 6.993 460 HB3 ALA 54 HB3 ALA 54 -2.386 15.231 5.982 461 H ASP 55 H ASP 55 -3.435 11.572 6.583 462 HA ASP 55 HA ASP 55 -1.476 9.603 6.130 463 HB2 ASP 55 HB2 ASP 55 -3.536 9.898 7.894 464 HB3 ASP 55 HB3 ASP 55 -4.164 8.646 6.839 465 H LYS 56 H LYS 56 -4.749 10.003 4.974 466 HA LYS 56 HA LYS 56 -5.001 7.904 3.206 467 HB2 LYS 56 HB2 LYS 56 -6.120 10.565 3.592 468 HB3 LYS 56 HB3 LYS 56 -6.242 9.994 1.929 469 HG2 LYS 56 HG2 LYS 56 -7.403 8.794 4.421 470 HG3 LYS 56 HG3 LYS 56 -8.232 9.447 3.015 471 HD2 LYS 56 HD2 LYS 56 -6.624 6.894 3.140 472 HD3 LYS 56 HD3 LYS 56 -8.372 7.048 2.978 473 HE2 LYS 56 HE2 LYS 56 -8.071 8.108 0.792 474 HE3 LYS 56 HE3 LYS 56 -6.323 7.927 0.953 475 HZ1 LYS 56 HZ1 LYS 56 -7.206 6.132 -0.366 476 HZ2 LYS 56 HZ2 LYS 56 -8.314 5.725 0.845 477 HZ3 LYS 56 HZ3 LYS 56 -6.653 5.512 1.115 478 H PHE 57 H PHE 57 -4.001 11.217 2.396 479 HA PHE 57 HA PHE 57 -3.147 10.717 -0.181 480 HB2 PHE 57 HB2 PHE 57 -3.320 12.986 0.829 481 HB3 PHE 57 HB3 PHE 57 -1.815 12.662 1.697 482 HD1 PHE 57 HD1 PHE 57 -3.301 13.085 -1.656 483 HD2 PHE 57 HD2 PHE 57 0.263 12.828 0.638 484 HE1 PHE 57 HE1 PHE 57 -2.005 13.880 -3.592 485 HE2 PHE 57 HE2 PHE 57 1.567 13.625 -1.280 486 HZ PHE 57 HZ PHE 57 0.402 14.026 -3.478 487 H LYS 58 H LYS 58 -1.392 10.323 2.809 488 HA LYS 58 HA LYS 58 1.159 9.818 1.841 489 HB2 LYS 58 HB2 LYS 58 0.562 10.212 4.176 490 HB3 LYS 58 HB3 LYS 58 -0.247 8.657 4.245 491 HG2 LYS 58 HG2 LYS 58 1.944 7.580 3.784 492 HG3 LYS 58 HG3 LYS 58 2.700 9.168 3.930 493 HD2 LYS 58 HD2 LYS 58 1.175 7.642 6.038 494 HD3 LYS 58 HD3 LYS 58 2.884 8.086 6.055 495 HE2 LYS 58 HE2 LYS 58 0.658 10.112 5.971 496 HE3 LYS 58 HE3 LYS 58 1.343 9.503 7.484 497 HZ1 LYS 58 HZ1 LYS 58 2.400 11.565 6.859 498 HZ2 LYS 58 HZ2 LYS 58 2.832 10.938 5.349 499 HZ3 LYS 58 HZ3 LYS 58 3.524 10.305 6.754 500 H GLU 59 H GLU 59 -1.503 7.536 2.448 501 HA GLU 59 HA GLU 59 0.018 5.268 1.607 502 HB2 GLU 59 HB2 GLU 59 -2.245 4.139 1.617 503 HB3 GLU 59 HB3 GLU 59 -1.665 4.772 3.139 504 HG2 GLU 59 HG2 GLU 59 -3.081 6.707 2.890 505 HG3 GLU 59 HG3 GLU 59 -3.633 6.117 1.327 506 H ILE 60 H ILE 60 -2.211 7.468 -0.039 507 HA ILE 60 HA ILE 60 -2.333 6.030 -2.495 508 HB ILE 60 HB ILE 60 -2.215 9.034 -2.417 509 HG12 ILE 60 HG12 ILE 60 -4.769 7.498 -1.977 510 HG13 ILE 60 HG13 ILE 60 -3.823 8.142 -0.638 511 HG21 ILE 60 HG21 ILE 60 -2.481 7.341 -4.467 512 HG22 ILE 60 HG22 ILE 60 -3.153 8.970 -4.452 513 HG23 ILE 60 HG23 ILE 60 -4.178 7.590 -4.056 514 HD11 ILE 60 HD11 ILE 60 -5.169 9.682 -2.845 515 HD12 ILE 60 HD12 ILE 60 -4.015 10.398 -1.728 516 HD13 ILE 60 HD13 ILE 60 -5.525 9.721 -1.116 517 H ASN 61 H ASN 61 -0.310 8.670 -1.351 518 HA ASN 61 HA ASN 61 1.444 8.823 -3.542 519 HB2 ASN 61 HB2 ASN 61 1.003 10.563 -1.716 520 HB3 ASN 61 HB3 ASN 61 2.081 9.609 -0.698 521 HD21 ASN 61 HD21 ASN 61 3.550 11.235 -0.516 522 HD22 ASN 61 HD22 ASN 61 4.578 11.726 -1.815 523 H ASN 62 H ASN 62 1.172 6.556 -1.049 524 HA ASN 62 HA ASN 62 3.875 5.556 -1.434 525 HB2 ASN 62 HB2 ASN 62 2.443 5.543 0.781 526 HB3 ASN 62 HB3 ASN 62 1.794 4.059 0.093 527 HD21 ASN 62 HD21 ASN 62 3.000 2.250 0.125 528 HD22 ASN 62 HD22 ASN 62 4.565 2.143 0.838 529 H ALA 63 H ALA 63 0.576 4.249 -1.739 530 HA ALA 63 HA ALA 63 1.218 1.784 -2.770 531 HB1 ALA 63 HB1 ALA 63 -0.970 2.332 -1.896 532 HB2 ALA 63 HB2 ALA 63 -1.103 1.642 -3.513 533 HB3 ALA 63 HB3 ALA 63 -1.280 3.381 -3.281 534 H HIS 64 H HIS 64 0.864 4.787 -4.594 535 HA HIS 64 HA HIS 64 0.306 3.847 -7.111 536 HB2 HIS 64 HB2 HIS 64 1.335 5.799 -8.029 537 HB3 HIS 64 HB3 HIS 64 0.502 6.252 -6.556 538 HD1 HIS 64 HD1 HIS 64 3.455 6.942 -8.334 539 HD2 HIS 64 HD2 HIS 64 2.616 6.273 -4.327 540 HE1 HIS 64 HE1 HIS 64 5.382 7.935 -7.070 541 HE2 HIS 64 HE2 HIS 64 4.933 7.363 -4.659 542 H ALA 65 H ALA 65 3.495 4.172 -5.697 543 HA ALA 65 HA ALA 65 4.762 2.934 -7.973 544 HB1 ALA 65 HB1 ALA 65 5.947 3.771 -5.328 545 HB2 ALA 65 HB2 ALA 65 5.874 4.767 -6.781 546 HB3 ALA 65 HB3 ALA 65 6.845 3.294 -6.769 547 H ILE 66 H ILE 66 3.645 2.015 -4.802 548 HA ILE 66 HA ILE 66 5.365 -0.111 -4.275 549 HB ILE 66 HB ILE 66 2.478 0.025 -3.420 550 HG12 ILE 66 HG12 ILE 66 3.422 2.096 -2.757 551 HG13 ILE 66 HG13 ILE 66 3.438 1.070 -1.329 552 HG21 ILE 66 HG21 ILE 66 3.533 -2.132 -3.027 553 HG22 ILE 66 HG22 ILE 66 3.228 -1.297 -1.504 554 HG23 ILE 66 HG23 ILE 66 4.857 -1.343 -2.173 555 HD11 ILE 66 HD11 ILE 66 5.785 1.651 -3.115 556 HD12 ILE 66 HD12 ILE 66 5.804 0.624 -1.679 557 HD13 ILE 66 HD13 ILE 66 5.479 2.351 -1.523 558 H LEU 67 H LEU 67 2.118 -0.210 -5.747 559 HA LEU 67 HA LEU 67 2.188 -3.066 -5.849 560 HB2 LEU 67 HB2 LEU 67 0.272 -1.130 -7.136 561 HB3 LEU 67 HB3 LEU 67 0.059 -2.865 -7.102 562 HG LEU 67 HG LEU 67 -1.158 -2.569 -5.265 563 HD11 LEU 67 HD11 LEU 67 -0.053 -2.227 -3.135 564 HD12 LEU 67 HD12 LEU 67 1.386 -1.633 -3.958 565 HD13 LEU 67 HD13 LEU 67 0.884 -3.314 -4.158 566 HD21 LEU 67 HD21 LEU 67 -1.393 -0.426 -4.128 567 HD22 LEU 67 HD22 LEU 67 -1.513 -0.256 -5.879 568 HD23 LEU 67 HD23 LEU 67 -0.028 0.210 -5.047 569 H THR 68 H THR 68 3.279 -0.596 -7.962 570 HA THR 68 HA THR 68 3.380 -2.474 -10.209 571 HB THR 68 HB THR 68 2.430 -0.248 -10.683 572 HG1 THR 68 HG1 THR 68 4.777 -1.156 -11.932 573 HG21 THR 68 HG21 THR 68 5.187 0.758 -9.996 574 HG22 THR 68 HG22 THR 68 3.710 1.061 -9.081 575 HG23 THR 68 HG23 THR 68 3.890 1.719 -10.707 576 H ASP 69 H ASP 69 5.207 -1.630 -7.641 577 HA ASP 69 HA ASP 69 7.771 -1.922 -9.061 578 HB2 ASP 69 HB2 ASP 69 7.482 0.026 -7.480 579 HB3 ASP 69 HB3 ASP 69 7.305 -1.149 -6.174 580 H ALA 70 H ALA 70 8.772 -3.817 -8.953 581 HA ALA 70 HA ALA 70 7.500 -6.059 -7.864 582 HB1 ALA 70 HB1 ALA 70 9.510 -7.296 -8.477 583 HB2 ALA 70 HB2 ALA 70 10.359 -5.776 -8.758 584 HB3 ALA 70 HB3 ALA 70 8.987 -6.219 -9.774 585 H THR 71 H THR 71 10.001 -3.963 -6.551 586 HA THR 71 HA THR 71 10.620 -5.821 -4.416 587 HB THR 71 HB THR 71 11.519 -2.969 -4.847 588 HG1 THR 71 HG1 THR 71 12.276 -5.303 -5.933 589 HG21 THR 71 HG21 THR 71 12.406 -5.042 -2.839 590 HG22 THR 71 HG22 THR 71 11.512 -3.561 -2.488 591 HG23 THR 71 HG23 THR 71 13.170 -3.469 -3.092 592 H LYS 72 H LYS 72 9.035 -2.619 -4.657 593 HA LYS 72 HA LYS 72 8.598 -2.364 -1.888 594 HB2 LYS 72 HB2 LYS 72 7.757 -0.933 -4.284 595 HB3 LYS 72 HB3 LYS 72 6.547 -0.922 -3.016 596 HG2 LYS 72 HG2 LYS 72 7.667 0.899 -2.340 597 HG3 LYS 72 HG3 LYS 72 8.708 -0.292 -1.567 598 HD2 LYS 72 HD2 LYS 72 10.041 1.339 -2.739 599 HD3 LYS 72 HD3 LYS 72 10.182 -0.233 -3.530 600 HE2 LYS 72 HE2 LYS 72 8.746 0.426 -5.289 601 HE3 LYS 72 HE3 LYS 72 8.268 1.896 -4.439 602 HZ1 LYS 72 HZ1 LYS 72 10.402 2.825 -4.773 603 HZ2 LYS 72 HZ2 LYS 72 9.918 2.205 -6.268 604 HZ3 LYS 72 HZ3 LYS 72 11.049 1.360 -5.331 605 H ARG 73 H ARG 73 6.785 -4.018 -4.354 606 HA ARG 73 HA ARG 73 4.593 -4.486 -2.499 607 HB2 ARG 73 HB2 ARG 73 3.472 -5.672 -4.262 608 HB3 ARG 73 HB3 ARG 73 4.110 -4.176 -4.921 609 HG2 ARG 73 HG2 ARG 73 6.010 -5.453 -5.859 610 HG3 ARG 73 HG3 ARG 73 5.245 -6.937 -5.286 611 HD2 ARG 73 HD2 ARG 73 3.272 -6.442 -6.646 612 HD3 ARG 73 HD3 ARG 73 4.037 -4.960 -7.216 613 HE ARG 73 HE ARG 73 5.557 -7.364 -7.702 614 HH11 ARG 73 HH11 ARG 73 3.134 -5.161 -8.959 615 HH12 ARG 73 HH12 ARG 73 3.393 -5.630 -10.609 616 HH21 ARG 73 HH21 ARG 73 5.904 -7.969 -9.874 617 HH22 ARG 73 HH22 ARG 73 4.965 -7.224 -11.130 618 H ASN 74 H ASN 74 7.475 -5.952 -3.620 619 HA ASN 74 HA ASN 74 7.074 -8.602 -2.838 620 HB2 ASN 74 HB2 ASN 74 9.013 -7.882 -4.178 621 HB3 ASN 74 HB3 ASN 74 9.626 -6.984 -2.796 622 HD21 ASN 74 HD21 ASN 74 10.516 -8.065 -1.082 623 HD22 ASN 74 HD22 ASN 74 11.006 -9.713 -1.179 624 H ILE 75 H ILE 75 8.903 -6.105 -0.974 625 HA ILE 75 HA ILE 75 8.967 -7.743 1.331 626 HB ILE 75 HB ILE 75 9.855 -5.983 2.595 627 HG12 ILE 75 HG12 ILE 75 8.163 -4.259 2.141 628 HG13 ILE 75 HG13 ILE 75 9.795 -3.621 1.994 629 HG21 ILE 75 HG21 ILE 75 10.728 -5.554 -0.243 630 HG22 ILE 75 HG22 ILE 75 11.327 -6.785 0.872 631 HG23 ILE 75 HG23 ILE 75 11.621 -5.078 1.202 632 HD11 ILE 75 HD11 ILE 75 9.626 -3.765 -0.433 633 HD12 ILE 75 HD12 ILE 75 8.347 -2.765 0.256 634 HD13 ILE 75 HD13 ILE 75 7.989 -4.412 -0.276 635 H TYR 76 H TYR 76 6.651 -5.429 0.171 636 HA TYR 76 HA TYR 76 5.128 -4.987 2.445 637 HB2 TYR 76 HB2 TYR 76 4.457 -3.701 0.650 638 HB3 TYR 76 HB3 TYR 76 4.585 -5.035 -0.489 639 HD1 TYR 76 HD2 TYR 76 2.469 -3.432 2.043 640 HD2 TYR 76 HD1 TYR 76 2.712 -6.501 -0.892 641 HE1 TYR 76 HE2 TYR 76 0.036 -3.737 2.175 642 HE2 TYR 76 HE1 TYR 76 0.276 -6.814 -0.774 643 HH TYR 76 HH TYR 76 -1.787 -4.618 0.668 644 H ASP 77 H ASP 77 4.902 -7.579 0.058 645 HA ASP 77 HA ASP 77 2.767 -8.904 1.465 646 HB2 ASP 77 HB2 ASP 77 2.782 -9.110 -0.915 647 HB3 ASP 77 HB3 ASP 77 4.449 -9.681 -0.919 648 H LYS 78 H LYS 78 6.228 -9.138 1.292 649 HA LYS 78 HA LYS 78 6.452 -11.672 2.580 650 HB2 LYS 78 HB2 LYS 78 8.308 -9.528 1.766 651 HB3 LYS 78 HB3 LYS 78 8.830 -10.485 3.140 652 HG2 LYS 78 HG2 LYS 78 9.792 -11.625 1.406 653 HG3 LYS 78 HG3 LYS 78 8.277 -12.507 1.585 654 HD2 LYS 78 HD2 LYS 78 8.648 -10.255 -0.372 655 HD3 LYS 78 HD3 LYS 78 8.996 -11.933 -0.774 656 HE2 LYS 78 HE2 LYS 78 6.332 -10.900 0.175 657 HE3 LYS 78 HE3 LYS 78 6.763 -11.164 -1.511 658 HZ1 LYS 78 HZ1 LYS 78 7.022 -13.499 -1.074 659 HZ2 LYS 78 HZ2 LYS 78 5.491 -13.002 -0.548 660 HZ3 LYS 78 HZ3 LYS 78 6.725 -13.274 0.575 661 H TYR 79 H TYR 79 7.152 -8.385 3.780 662 HA TYR 79 HA TYR 79 6.325 -9.267 6.462 663 HB2 TYR 79 HB2 TYR 79 8.732 -7.521 5.908 664 HB3 TYR 79 HB3 TYR 79 8.181 -8.081 7.482 665 HD1 TYR 79 HD2 TYR 79 8.339 -10.517 8.040 666 HD2 TYR 79 HD1 TYR 79 10.124 -8.875 4.546 667 HE1 TYR 79 HE2 TYR 79 9.780 -12.498 7.853 668 HE2 TYR 79 HE1 TYR 79 11.572 -10.852 4.349 669 HH TYR 79 HH TYR 79 11.096 -13.680 6.295 670 H GLY 80 H GLY 80 7.435 -6.310 4.796 671 HA2 GLY 80 HA2 GLY 80 6.132 -4.513 4.129 672 HA3 GLY 80 HA3 GLY 80 4.762 -5.209 4.979 673 H SER 81 H SER 81 5.909 -5.370 7.574 674 HA SER 81 HA SER 81 5.254 -2.815 8.490 675 HB2 SER 81 HB2 SER 81 6.837 -4.956 9.923 676 HB3 SER 81 HB3 SER 81 6.044 -3.581 10.687 677 HG SER 81 HG SER 81 4.247 -4.650 10.638 678 H LEU 82 H LEU 82 8.471 -4.295 8.925 679 HA LEU 82 HA LEU 82 9.714 -1.728 9.148 680 HB2 LEU 82 HB2 LEU 82 10.759 -3.375 10.412 681 HB3 LEU 82 HB3 LEU 82 10.668 -4.564 9.134 682 HG LEU 82 HG LEU 82 12.445 -3.343 7.905 683 HD11 LEU 82 HD11 LEU 82 13.731 -1.623 9.015 684 HD12 LEU 82 HD12 LEU 82 12.654 -1.686 10.413 685 HD13 LEU 82 HD13 LEU 82 12.050 -1.121 8.857 686 HD21 LEU 82 HD21 LEU 82 14.273 -4.014 9.375 687 HD22 LEU 82 HD22 LEU 82 12.995 -5.228 9.340 688 HD23 LEU 82 HD23 LEU 82 13.145 -4.144 10.724 689 H GLY 83 H GLY 83 9.826 -4.322 6.731 690 HA2 GLY 83 HA2 GLY 83 11.743 -3.354 5.038 691 HA3 GLY 83 HA3 GLY 83 10.399 -4.347 4.517 692 H LEU 84 H LEU 84 8.317 -2.432 4.966 693 HA LEU 84 HA LEU 84 8.643 -1.055 2.463 694 HB2 LEU 84 HB2 LEU 84 6.517 -2.157 3.252 695 HB3 LEU 84 HB3 LEU 84 6.331 -0.834 4.384 696 HG LEU 84 HG LEU 84 6.245 0.747 2.469 697 HD11 LEU 84 HD11 LEU 84 5.858 -0.185 0.218 698 HD12 LEU 84 HD12 LEU 84 6.264 -1.787 0.835 699 HD13 LEU 84 HD13 LEU 84 7.482 -0.511 0.822 700 HD21 LEU 84 HD21 LEU 84 3.990 0.151 1.764 701 HD22 LEU 84 HD22 LEU 84 4.200 -0.116 3.495 702 HD23 LEU 84 HD23 LEU 84 4.220 -1.484 2.382 703 H TYR 85 H TYR 85 8.843 -0.217 5.823 704 HA TYR 85 HA TYR 85 8.653 2.625 5.378 705 HB2 TYR 85 HB2 TYR 85 8.085 2.524 7.542 706 HB3 TYR 85 HB3 TYR 85 8.586 0.844 7.632 707 HD1 TYR 85 HD2 TYR 85 10.830 0.261 8.466 708 HD2 TYR 85 HD1 TYR 85 9.497 4.296 8.339 709 HE1 TYR 85 HE2 TYR 85 12.665 0.909 9.969 710 HE2 TYR 85 HE1 TYR 85 11.330 4.960 9.837 711 HH TYR 85 HH TYR 85 13.969 2.991 10.489 712 H VAL 86 H VAL 86 11.220 0.286 6.047 713 HA VAL 86 HA VAL 86 13.308 2.194 6.198 714 HB VAL 86 HB VAL 86 13.705 0.113 7.246 715 HG11 VAL 86 HG11 VAL 86 13.370 -1.303 4.620 716 HG12 VAL 86 HG12 VAL 86 12.108 -1.177 5.846 717 HG13 VAL 86 HG13 VAL 86 13.611 -2.016 6.214 718 HG21 VAL 86 HG21 VAL 86 15.346 0.275 4.737 719 HG22 VAL 86 HG22 VAL 86 15.705 -0.802 6.087 720 HG23 VAL 86 HG23 VAL 86 15.730 0.948 6.324 721 H ALA 87 H ALA 87 11.819 0.464 3.556 722 HA ALA 87 HA ALA 87 13.776 0.836 1.583 723 HB1 ALA 87 HB1 ALA 87 12.002 0.518 -0.016 724 HB2 ALA 87 HB2 ALA 87 10.790 0.812 1.232 725 HB3 ALA 87 HB3 ALA 87 11.822 -0.621 1.320 726 H GLU 88 H GLU 88 11.249 2.936 2.808 727 HA GLU 88 HA GLU 88 11.305 4.858 0.772 728 HB2 GLU 88 HB2 GLU 88 10.241 4.580 3.493 729 HB3 GLU 88 HB3 GLU 88 10.357 6.198 2.861 730 HG2 GLU 88 HG2 GLU 88 9.076 5.340 0.855 731 HG3 GLU 88 HG3 GLU 88 8.769 3.913 1.835 732 H GLN 89 H GLN 89 12.884 4.694 3.946 733 HA GLN 89 HA GLN 89 14.122 7.282 3.533 734 HB2 GLN 89 HB2 GLN 89 14.402 5.344 5.834 735 HB3 GLN 89 HB3 GLN 89 14.987 7.001 5.807 736 HG2 GLN 89 HG2 GLN 89 12.673 7.797 5.587 737 HG3 GLN 89 HG3 GLN 89 12.107 6.130 5.664 738 HE21 GLN 89 HE21 GLN 89 14.178 5.439 7.645 739 HE22 GLN 89 HE22 GLN 89 13.631 6.095 9.144 740 H PHE 90 H PHE 90 15.064 3.893 3.489 741 HA PHE 90 HA PHE 90 17.868 4.694 3.241 742 HB2 PHE 90 HB2 PHE 90 16.601 2.028 3.863 743 HB3 PHE 90 HB3 PHE 90 18.330 2.235 3.569 744 HD1 PHE 90 HD1 PHE 90 15.545 3.147 5.818 745 HD2 PHE 90 HD2 PHE 90 19.761 3.061 5.251 746 HE1 PHE 90 HE1 PHE 90 15.871 3.702 8.191 747 HE2 PHE 90 HE2 PHE 90 20.094 3.618 7.624 748 HZ PHE 90 HZ PHE 90 18.147 3.939 9.096 749 H GLY 91 H GLY 91 15.289 3.098 1.455 750 HA2 GLY 91 HA2 GLY 91 15.458 3.119 -0.984 751 HA3 GLY 91 HA3 GLY 91 17.182 2.802 -0.800 752 H GLU 92 H GLU 92 14.858 1.281 -2.081 753 HA GLU 92 HA GLU 92 14.122 -0.829 -0.342 754 HB2 GLU 92 HB2 GLU 92 14.009 -1.315 -3.263 755 HB3 GLU 92 HB3 GLU 92 12.765 -1.524 -2.036 756 HG2 GLU 92 HG2 GLU 92 11.825 0.302 -2.835 757 HG3 GLU 92 HG3 GLU 92 13.163 1.199 -2.127 758 H GLU 93 H GLU 93 16.469 -0.613 -2.969 759 HA GLU 93 HA GLU 93 17.337 -3.344 -2.645 760 HB2 GLU 93 HB2 GLU 93 19.120 -2.737 -4.226 761 HB3 GLU 93 HB3 GLU 93 17.536 -2.258 -4.820 762 HG2 GLU 93 HG2 GLU 93 18.011 0.036 -3.967 763 HG3 GLU 93 HG3 GLU 93 19.650 -0.499 -3.616 764 H ASN 94 H ASN 94 17.832 -0.519 -0.964 765 HA ASN 94 HA ASN 94 20.565 -1.082 -0.171 766 HB2 ASN 94 HB2 ASN 94 18.651 1.170 0.333 767 HB3 ASN 94 HB3 ASN 94 20.114 1.002 1.287 768 HD21 ASN 94 HD21 ASN 94 19.320 3.102 -0.565 769 HD22 ASN 94 HD22 ASN 94 20.547 3.170 -1.786 770 H VAL 95 H VAL 95 17.344 -1.151 1.109 771 HA VAL 95 HA VAL 95 17.521 -1.197 3.779 772 HB VAL 95 HB VAL 95 15.592 -2.584 3.950 773 HG11 VAL 95 HG11 VAL 95 15.425 -1.046 1.374 774 HG12 VAL 95 HG12 VAL 95 15.257 -0.363 2.987 775 HG13 VAL 95 HG13 VAL 95 14.072 -1.527 2.396 776 HG21 VAL 95 HG21 VAL 95 16.115 -3.467 1.121 777 HG22 VAL 95 HG22 VAL 95 14.712 -3.901 2.098 778 HG23 VAL 95 HG23 VAL 95 16.325 -4.454 2.571 779 H ASN 96 H ASN 96 18.703 -3.783 1.750 780 HA ASN 96 HA ASN 96 18.797 -5.867 3.597 781 HB2 ASN 96 HB2 ASN 96 19.180 -6.086 1.165 782 HB3 ASN 96 HB3 ASN 96 20.746 -5.307 1.360 783 HD21 ASN 96 HD21 ASN 96 18.867 -8.172 2.009 784 HD22 ASN 96 HD22 ASN 96 20.208 -9.203 2.376 785 H THR 97 H THR 97 20.597 -2.978 3.450 786 HA THR 97 HA THR 97 22.891 -3.752 4.935 787 HB THR 97 HB THR 97 22.741 -1.672 3.578 788 HG1 THR 97 HG1 THR 97 24.246 -1.862 5.383 789 HG21 THR 97 HG21 THR 97 20.486 -0.963 4.055 790 HG22 THR 97 HG22 THR 97 21.603 0.310 4.558 791 HG23 THR 97 HG23 THR 97 20.874 -0.752 5.765 792 H TYR 98 H TYR 98 19.694 -2.654 5.767 793 HA TYR 98 HA TYR 98 20.278 -2.501 8.617 794 HB2 TYR 98 HB2 TYR 98 18.896 -0.779 7.453 795 HB3 TYR 98 HB3 TYR 98 17.704 -2.023 7.084 796 HD1 TYR 98 HD2 TYR 98 19.188 0.041 9.733 797 HD2 TYR 98 HD1 TYR 98 16.158 -2.788 8.779 798 HE1 TYR 98 HE2 TYR 98 18.041 0.567 11.843 799 HE2 TYR 98 HE1 TYR 98 15.002 -2.265 10.884 800 HH TYR 98 HH TYR 98 15.795 0.444 12.785 801 H PHE 99 H PHE 99 18.856 -4.522 6.237 802 HA PHE 99 HA PHE 99 17.607 -6.335 8.108 803 HB2 PHE 99 HB2 PHE 99 17.908 -6.210 5.125 804 HB3 PHE 99 HB3 PHE 99 17.412 -7.714 5.879 805 HD1 PHE 99 HD2 PHE 99 16.510 -4.229 5.240 806 HD2 PHE 99 HD1 PHE 99 15.232 -7.967 6.803 807 HE1 PHE 99 HE2 PHE 99 14.187 -3.408 5.293 808 HE2 PHE 99 HE1 PHE 99 12.916 -7.164 6.864 809 HZ PHE 99 HZ PHE 99 12.374 -4.892 6.072 810 H VAL 100 H VAL 100 18.288 -8.776 6.908 811 HA VAL 100 HA VAL 100 20.360 -9.646 8.422 812 HB VAL 100 HB VAL 100 20.277 -11.573 6.707 813 HG11 VAL 100 HG11 VAL 100 17.845 -10.792 8.280 814 HG12 VAL 100 HG12 VAL 100 19.256 -11.634 8.920 815 HG13 VAL 100 HG13 VAL 100 18.227 -12.420 7.722 816 HG21 VAL 100 HG21 VAL 100 17.839 -10.029 5.881 817 HG22 VAL 100 HG22 VAL 100 18.263 -11.656 5.354 818 HG23 VAL 100 HG23 VAL 100 19.273 -10.287 4.887
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