NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457482 | 2kvc | 16774 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 0.838 -0.653 -5.284 2 H2 GLY 1 HT2 GLY 1 1.078 0.568 -4.130 3 H3 GLY 1 HT3 GLY 1 2.361 -0.452 -4.563 4 HA2 GLY 1 HA1 GLY 1 2.354 0.444 -6.807 5 HA3 GLY 1 HA2 GLY 1 1.021 1.499 -6.355 6 H SER 2 HN SER 2 4.367 0.676 -5.519 7 HA SER 2 HA SER 2 4.673 3.359 -4.356 8 HB2 SER 2 HB2 SER 2 6.432 0.913 -4.063 9 HB3 SER 2 HB1 SER 2 6.658 2.453 -3.234 10 HG SER 2 HG SER 2 4.493 0.626 -2.951 11 H HIS 3 HN HIS 3 5.971 4.838 -5.268 12 HA HIS 3 HA HIS 3 7.788 3.968 -7.415 13 HB2 HIS 3 HB2 HIS 3 6.012 6.413 -7.333 14 HB3 HIS 3 HB1 HIS 3 7.356 6.247 -8.456 15 HD1 HIS 3 HD1 HIS 3 6.688 5.395 -10.672 16 HD2 HIS 3 HD2 HIS 3 4.128 4.052 -7.682 17 HE1 HIS 3 HE1 HIS 3 4.925 4.038 -11.845 18 HE2 HIS 3 HE2 HIS 3 3.376 3.245 -10.023 19 H MET 4 HN MET 4 9.850 4.536 -7.134 20 HA MET 4 HA MET 4 10.573 5.682 -4.618 21 HB2 MET 4 HB2 MET 4 12.238 4.770 -6.960 22 HB3 MET 4 HB1 MET 4 12.925 5.358 -5.452 23 HG2 MET 4 HG2 MET 4 11.756 3.553 -4.251 24 HG3 MET 4 HG1 MET 4 11.157 2.946 -5.793 25 HE1 MET 4 HE1 MET 4 14.339 3.610 -3.587 26 HE2 MET 4 HE2 MET 4 14.716 4.491 -5.068 27 HE3 MET 4 HE3 MET 4 15.630 3.043 -4.646 28 H ASN 5 HN ASN 5 10.749 6.844 -7.964 29 HA ASN 5 HA ASN 5 12.392 9.074 -7.403 30 HB2 ASN 5 HB2 ASN 5 12.124 8.219 -9.678 31 HB3 ASN 5 HB1 ASN 5 10.423 8.673 -9.665 32 HD21 ASN 5 HD21 ASN 5 13.708 9.882 -9.653 33 HD22 ASN 5 HD22 ASN 5 13.325 11.462 -10.247 34 H ARG 6 HN ARG 6 8.919 8.616 -7.352 35 HA ARG 6 HA ARG 6 8.120 11.297 -7.227 36 HB2 ARG 6 HB2 ARG 6 6.600 9.363 -7.620 37 HB3 ARG 6 HB1 ARG 6 6.768 8.925 -5.926 38 HG2 ARG 6 HG2 ARG 6 5.812 11.123 -5.309 39 HG3 ARG 6 HG1 ARG 6 5.547 11.448 -7.023 40 HD2 ARG 6 HD2 ARG 6 4.100 9.487 -7.172 41 HD3 ARG 6 HD1 ARG 6 4.379 9.144 -5.466 42 HE ARG 6 HE ARG 6 3.033 11.588 -6.422 43 HH11 ARG 6 HH11 ARG 6 3.319 8.917 -4.190 44 HH12 ARG 6 HH12 ARG 6 1.960 9.395 -3.223 45 HH21 ARG 6 HH21 ARG 6 1.233 12.239 -5.160 46 HH22 ARG 6 HH22 ARG 6 0.771 11.290 -3.775 47 H PHE 7 HN PHE 7 9.262 9.093 -4.753 48 HA PHE 7 HA PHE 7 8.577 10.560 -2.466 49 HB2 PHE 7 HB2 PHE 7 9.360 8.261 -2.313 50 HB3 PHE 7 HB1 PHE 7 10.926 8.716 -2.973 51 HD1 PHE 7 HD2 PHE 7 8.680 9.276 -0.072 52 HD2 PHE 7 HD1 PHE 7 12.664 9.348 -1.562 53 HE1 PHE 7 HE2 PHE 7 9.521 9.666 2.208 54 HE2 PHE 7 HE1 PHE 7 13.514 9.735 0.713 55 HZ PHE 7 HZ PHE 7 11.942 9.895 2.602 56 H LEU 8 HN LEU 8 11.522 10.608 -4.443 57 HA LEU 8 HA LEU 8 12.901 12.556 -2.958 58 HB2 LEU 8 HB2 LEU 8 13.094 11.936 -5.907 59 HB3 LEU 8 HB1 LEU 8 14.267 12.854 -4.983 60 HG LEU 8 HG LEU 8 13.603 9.936 -4.575 61 HD11 LEU 8 HD11 LEU 8 16.044 11.261 -5.743 62 HD12 LEU 8 HD12 LEU 8 14.829 10.350 -6.639 63 HD13 LEU 8 HD13 LEU 8 15.843 9.534 -5.449 64 HD21 LEU 8 HD21 LEU 8 15.673 11.686 -3.248 65 HD22 LEU 8 HD22 LEU 8 15.509 9.944 -3.035 66 HD23 LEU 8 HD23 LEU 8 14.228 11.023 -2.484 67 H THR 9 HN THR 9 10.694 12.788 -5.705 68 HA THR 9 HA THR 9 10.890 15.523 -6.203 69 HB THR 9 HB THR 9 8.348 13.913 -6.455 70 HG1 THR 9 HG1 THR 9 9.171 13.069 -8.332 71 HG21 THR 9 HG21 THR 9 7.969 15.347 -8.405 72 HG22 THR 9 HG22 THR 9 9.489 16.184 -8.091 73 HG23 THR 9 HG23 THR 9 8.159 16.309 -6.940 74 H SER 10 HN SER 10 8.691 13.766 -3.997 75 HA SER 10 HA SER 10 7.376 16.099 -3.079 76 HB2 SER 10 HB2 SER 10 6.744 14.543 -1.108 77 HB3 SER 10 HB1 SER 10 6.158 14.148 -2.722 78 HG SER 10 HG SER 10 8.616 13.060 -1.981 79 H ILE 11 HN ILE 11 10.267 14.406 -1.967 80 HA ILE 11 HA ILE 11 10.636 15.837 0.434 81 HB ILE 11 HB ILE 11 12.692 14.630 -1.426 82 HG12 ILE 11 HG12 ILE 11 11.167 12.992 -0.453 83 HG13 ILE 11 HG11 ILE 11 12.768 12.827 0.259 84 HG21 ILE 11 HG21 ILE 11 13.064 15.645 1.389 85 HG22 ILE 11 HG22 ILE 11 13.728 16.370 -0.074 86 HG23 ILE 11 HG23 ILE 11 14.268 14.773 0.441 87 HD11 ILE 11 HD11 ILE 11 10.407 14.202 1.520 88 HD12 ILE 11 HD12 ILE 11 12.010 14.039 2.237 89 HD13 ILE 11 HD13 ILE 11 11.030 12.605 1.935 90 H VAL 12 HN VAL 12 11.945 16.416 -2.819 91 HA VAL 12 HA VAL 12 13.222 18.833 -2.437 92 HB VAL 12 HB VAL 12 11.639 17.890 -4.839 93 HG11 VAL 12 HG11 VAL 12 13.609 20.164 -4.649 94 HG12 VAL 12 HG12 VAL 12 11.874 20.309 -4.929 95 HG13 VAL 12 HG13 VAL 12 12.903 19.540 -6.139 96 HG21 VAL 12 HG21 VAL 12 14.595 17.836 -4.247 97 HG22 VAL 12 HG22 VAL 12 13.838 17.313 -5.752 98 HG23 VAL 12 HG23 VAL 12 13.509 16.446 -4.251 99 H ALA 13 HN ALA 13 9.816 18.251 -3.229 100 HA ALA 13 HA ALA 13 8.980 20.911 -3.379 101 HB1 ALA 13 HB1 ALA 13 6.729 20.060 -3.063 102 HB2 ALA 13 HB2 ALA 13 7.374 18.523 -2.489 103 HB3 ALA 13 HB3 ALA 13 7.640 19.022 -4.160 104 H TRP 14 HN TRP 14 8.895 18.682 -0.600 105 HA TRP 14 HA TRP 14 7.777 20.417 1.274 106 HB2 TRP 14 HB2 TRP 14 7.973 18.076 1.774 107 HB3 TRP 14 HB1 TRP 14 9.722 18.122 1.593 108 HD1 TRP 14 HD1 TRP 14 7.416 20.332 3.810 109 HE1 TRP 14 HE1 TRP 14 8.275 20.193 6.236 110 HE3 TRP 14 HE3 TRP 14 11.212 16.986 3.119 111 HZ2 TRP 14 HZ2 TRP 14 10.314 18.841 7.661 112 HZ3 TRP 14 HZ3 TRP 14 12.564 16.313 5.060 113 HH2 TRP 14 HH2 TRP 14 12.123 17.216 7.284 114 H LEU 15 HN LEU 15 11.201 19.789 0.567 115 HA LEU 15 HA LEU 15 12.302 21.457 2.503 116 HB2 LEU 15 HB2 LEU 15 13.433 20.833 -0.225 117 HB3 LEU 15 HB1 LEU 15 14.338 21.444 1.146 118 HG LEU 15 HG LEU 15 13.075 18.726 0.846 119 HD11 LEU 15 HD11 LEU 15 15.926 19.620 1.248 120 HD12 LEU 15 HD12 LEU 15 15.223 19.010 -0.250 121 HD13 LEU 15 HD13 LEU 15 15.371 17.949 1.150 122 HD21 LEU 15 HD21 LEU 15 12.667 19.508 3.111 123 HD22 LEU 15 HD22 LEU 15 14.368 19.949 3.286 124 HD23 LEU 15 HD23 LEU 15 13.910 18.255 3.109 125 H ARG 16 HN ARG 16 11.645 22.200 -0.934 126 HA ARG 16 HA ARG 16 12.464 24.907 -0.602 127 HB2 ARG 16 HB2 ARG 16 11.737 25.285 -2.855 128 HB3 ARG 16 HB1 ARG 16 12.610 23.767 -2.764 129 HG2 ARG 16 HG2 ARG 16 10.467 22.557 -2.805 130 HG3 ARG 16 HG1 ARG 16 9.625 24.105 -2.967 131 HD2 ARG 16 HD2 ARG 16 11.010 24.548 -5.000 132 HD3 ARG 16 HD1 ARG 16 11.621 22.901 -4.875 133 HE ARG 16 HE ARG 16 9.055 22.387 -5.006 134 HH11 ARG 16 HH11 ARG 16 10.864 24.828 -6.746 135 HH12 ARG 16 HH12 ARG 16 9.851 24.745 -8.158 136 HH21 ARG 16 HH21 ARG 16 7.731 22.261 -6.879 137 HH22 ARG 16 HH22 ARG 16 8.105 23.271 -8.251 138 H ALA 17 HN ALA 17 9.396 23.262 -0.266 139 HA ALA 17 HA ALA 17 7.735 25.547 -0.260 140 HB1 ALA 17 HB1 ALA 17 6.832 23.272 -0.360 141 HB2 ALA 17 HB2 ALA 17 6.131 24.188 0.973 142 HB3 ALA 17 HB3 ALA 17 7.378 22.984 1.292 143 H GLY 18 HN GLY 18 9.701 24.000 2.220 144 HA2 GLY 18 HA2 GLY 18 8.940 25.585 4.410 145 HA3 GLY 18 HA1 GLY 18 10.506 24.813 4.212 146 H TYR 19 HN TYR 19 11.016 26.322 1.688 147 HA TYR 19 HA TYR 19 11.296 29.045 2.728 148 HB2 TYR 19 HB2 TYR 19 13.557 27.268 1.847 149 HB3 TYR 19 HB1 TYR 19 13.679 29.019 1.731 150 HD1 TYR 19 HD1 TYR 19 13.508 26.161 4.021 151 HD2 TYR 19 HD2 TYR 19 13.888 30.384 3.710 152 HE1 TYR 19 HE1 TYR 19 14.237 26.265 6.364 153 HE2 TYR 19 HE2 TYR 19 14.619 30.497 6.055 154 HH TYR 19 HH TYR 19 15.696 27.929 7.758 155 HA PRO 20 HA PRO 20 9.962 29.028 -1.701 156 HB2 PRO 20 HB2 PRO 20 8.064 30.941 -1.401 157 HB3 PRO 20 HB1 PRO 20 7.748 29.230 -1.093 158 HG2 PRO 20 HG2 PRO 20 8.338 31.428 0.849 159 HG3 PRO 20 HG1 PRO 20 7.142 30.124 0.964 160 HD2 PRO 20 HD2 PRO 20 9.535 30.054 2.248 161 HD3 PRO 20 HD1 PRO 20 8.698 28.593 1.688 162 H GLU 21 HN GLU 21 11.494 31.001 0.437 163 HA GLU 21 HA GLU 21 11.913 33.192 -1.473 164 HB2 GLU 21 HB2 GLU 21 12.608 33.029 1.467 165 HB3 GLU 21 HB1 GLU 21 12.740 34.453 0.443 166 HG2 GLU 21 HG2 GLU 21 10.415 34.697 0.290 167 HG3 GLU 21 HG1 GLU 21 10.121 33.065 0.890 168 H GLY 22 HN GLY 22 13.199 30.304 -0.696 169 HA2 GLY 22 HA2 GLY 22 15.253 29.434 -1.413 170 HA3 GLY 22 HA1 GLY 22 15.880 31.071 -1.543 171 H ILE 23 HN ILE 23 16.676 28.451 -0.092 172 HA ILE 23 HA ILE 23 16.696 29.197 2.687 173 HB ILE 23 HB ILE 23 18.370 27.053 1.372 174 HG12 ILE 23 HG12 ILE 23 15.599 26.750 2.552 175 HG13 ILE 23 HG11 ILE 23 15.942 26.803 0.826 176 HG21 ILE 23 HG21 ILE 23 17.388 27.414 4.210 177 HG22 ILE 23 HG22 ILE 23 19.046 27.599 3.637 178 HG23 ILE 23 HG23 ILE 23 18.278 26.014 3.609 179 HD11 ILE 23 HD11 ILE 23 17.266 24.772 1.015 180 HD12 ILE 23 HD12 ILE 23 15.628 24.523 1.621 181 HD13 ILE 23 HD13 ILE 23 16.965 24.729 2.753 182 HA PRO 24 HA PRO 24 20.555 31.481 2.309 183 HB2 PRO 24 HB2 PRO 24 20.679 32.105 4.995 184 HB3 PRO 24 HB1 PRO 24 19.852 33.068 3.771 185 HG2 PRO 24 HG2 PRO 24 18.733 31.330 5.855 186 HG3 PRO 24 HG1 PRO 24 17.974 32.657 4.965 187 HD2 PRO 24 HD2 PRO 24 17.583 29.897 4.561 188 HD3 PRO 24 HD1 PRO 24 17.014 31.217 3.526 189 HA PRO 25 HA PRO 25 23.425 28.313 2.918 190 HB2 PRO 25 HB2 PRO 25 25.582 29.825 3.882 191 HB3 PRO 25 HB1 PRO 25 25.195 29.506 2.190 192 HG2 PRO 25 HG2 PRO 25 24.556 31.886 3.866 193 HG3 PRO 25 HG1 PRO 25 25.007 31.804 2.153 194 HD2 PRO 25 HD2 PRO 25 22.480 32.227 2.871 195 HD3 PRO 25 HD1 PRO 25 22.862 31.168 1.496 196 H THR 26 HN THR 26 22.854 30.413 5.668 197 HA THR 26 HA THR 26 24.387 28.945 7.540 198 HB THR 26 HB THR 26 22.628 30.136 9.145 199 HG1 THR 26 HG1 THR 26 21.245 31.244 7.993 200 HG21 THR 26 HG21 THR 26 24.072 32.117 9.116 201 HG22 THR 26 HG22 THR 26 24.754 31.599 7.574 202 HG23 THR 26 HG23 THR 26 25.021 30.634 9.026 203 H ASP 27 HN ASP 27 20.867 28.975 6.858 204 HA ASP 27 HA ASP 27 20.585 26.650 8.575 205 HB2 ASP 27 HB2 ASP 27 18.107 26.878 7.930 206 HB3 ASP 27 HB1 ASP 27 18.815 28.086 8.976 207 H SER 28 HN SER 28 21.303 27.139 5.346 208 HA SER 28 HA SER 28 20.118 24.851 4.216 209 HB2 SER 28 HB2 SER 28 22.892 25.939 3.653 210 HB3 SER 28 HB1 SER 28 21.927 24.919 2.585 211 HG SER 28 HG SER 28 21.586 26.966 1.862 212 H PHE 29 HN PHE 29 22.994 25.323 6.184 213 HA PHE 29 HA PHE 29 23.820 22.602 6.211 214 HB2 PHE 29 HB2 PHE 29 24.387 24.892 8.109 215 HB3 PHE 29 HB1 PHE 29 25.118 23.299 8.264 216 HD1 PHE 29 HD2 PHE 29 24.697 24.015 4.846 217 HD2 PHE 29 HD1 PHE 29 27.165 24.931 8.190 218 HE1 PHE 29 HE2 PHE 29 26.503 24.694 3.323 219 HE2 PHE 29 HE1 PHE 29 28.973 25.613 6.672 220 HZ PHE 29 HZ PHE 29 28.645 25.496 4.235 221 H ALA 30 HN ALA 30 21.590 24.527 8.069 222 HA ALA 30 HA ALA 30 21.035 22.659 10.108 223 HB1 ALA 30 HB1 ALA 30 19.386 24.866 8.896 224 HB2 ALA 30 HB2 ALA 30 20.337 24.924 10.381 225 HB3 ALA 30 HB3 ALA 30 18.884 23.928 10.299 226 H VAL 31 HN VAL 31 19.570 23.278 6.936 227 HA VAL 31 HA VAL 31 17.594 21.321 6.965 228 HB VAL 31 HB VAL 31 19.229 22.303 4.615 229 HG11 VAL 31 HG11 VAL 31 16.614 20.794 4.620 230 HG12 VAL 31 HG12 VAL 31 18.175 20.153 4.106 231 HG13 VAL 31 HG13 VAL 31 17.419 21.465 3.201 232 HG21 VAL 31 HG21 VAL 31 16.509 23.123 5.628 233 HG22 VAL 31 HG22 VAL 31 17.288 23.727 4.165 234 HG23 VAL 31 HG23 VAL 31 17.992 24.070 5.745 235 H LEU 32 HN LEU 32 20.973 21.069 5.797 236 HA LEU 32 HA LEU 32 20.799 18.349 5.108 237 HB2 LEU 32 HB2 LEU 32 23.127 18.348 4.848 238 HB3 LEU 32 HB1 LEU 32 22.614 19.969 4.440 239 HG LEU 32 HG LEU 32 23.257 20.471 6.946 240 HD11 LEU 32 HD11 LEU 32 25.087 19.144 7.756 241 HD12 LEU 32 HD12 LEU 32 25.049 18.138 6.308 242 HD13 LEU 32 HD13 LEU 32 23.703 18.090 7.447 243 HD21 LEU 32 HD21 LEU 32 25.353 20.059 4.822 244 HD22 LEU 32 HD22 LEU 32 25.448 21.149 6.210 245 HD23 LEU 32 HD23 LEU 32 24.274 21.450 4.927 246 H ALA 33 HN ALA 33 21.634 19.895 8.172 247 HA ALA 33 HA ALA 33 22.452 17.579 9.538 248 HB1 ALA 33 HB1 ALA 33 21.148 20.042 10.689 249 HB2 ALA 33 HB2 ALA 33 22.870 19.849 10.362 250 HB3 ALA 33 HB3 ALA 33 22.086 18.845 11.581 251 H LEU 34 HN LEU 34 19.254 19.064 9.206 252 HA LEU 34 HA LEU 34 17.946 17.167 10.879 253 HB2 LEU 34 HB2 LEU 34 17.085 19.333 9.037 254 HB3 LEU 34 HB1 LEU 34 15.905 18.104 9.434 255 HG LEU 34 HG LEU 34 15.650 20.031 10.889 256 HD11 LEU 34 HD11 LEU 34 15.124 17.843 11.804 257 HD12 LEU 34 HD12 LEU 34 15.771 18.907 13.053 258 HD13 LEU 34 HD13 LEU 34 16.791 17.655 12.346 259 HD21 LEU 34 HD21 LEU 34 17.941 20.868 10.825 260 HD22 LEU 34 HD22 LEU 34 18.479 19.484 11.778 261 HD23 LEU 34 HD23 LEU 34 17.380 20.668 12.485 262 H LEU 35 HN LEU 35 18.258 17.493 7.354 263 HA LEU 35 HA LEU 35 16.548 15.340 6.724 264 HB2 LEU 35 HB2 LEU 35 18.500 17.000 5.255 265 HB3 LEU 35 HB1 LEU 35 18.119 15.444 4.546 266 HG LEU 35 HG LEU 35 16.738 17.256 3.619 267 HD11 LEU 35 HD11 LEU 35 15.864 14.984 3.659 268 HD12 LEU 35 HD12 LEU 35 14.570 16.162 3.882 269 HD13 LEU 35 HD13 LEU 35 15.189 15.261 5.265 270 HD21 LEU 35 HD21 LEU 35 15.652 17.497 6.424 271 HD22 LEU 35 HD22 LEU 35 15.009 18.308 4.996 272 HD23 LEU 35 HD23 LEU 35 16.626 18.701 5.579 273 H CYS 36 HN CYS 36 19.985 15.449 7.438 274 HA CYS 36 HA CYS 36 20.658 12.906 6.418 275 HB2 CYS 36 HB2 CYS 36 22.324 14.639 7.013 276 HB3 CYS 36 HB1 CYS 36 21.952 14.388 8.716 277 HG CYS 36 HG CYS 36 22.623 11.465 8.064 278 H ARG 37 HN ARG 37 18.771 13.754 9.112 279 HA ARG 37 HA ARG 37 19.376 11.439 10.715 280 HB2 ARG 37 HB2 ARG 37 16.968 13.256 10.902 281 HB3 ARG 37 HB1 ARG 37 17.585 12.181 12.151 282 HG2 ARG 37 HG2 ARG 37 19.636 13.525 12.277 283 HG3 ARG 37 HG1 ARG 37 18.978 14.619 11.060 284 HD2 ARG 37 HD2 ARG 37 17.020 14.963 12.628 285 HD3 ARG 37 HD1 ARG 37 17.974 14.124 13.852 286 HE ARG 37 HE ARG 37 18.892 16.596 12.529 287 HH11 ARG 37 HH11 ARG 37 18.561 14.589 15.370 288 HH12 ARG 37 HH12 ARG 37 19.257 15.765 16.443 289 HH21 ARG 37 HH21 ARG 37 19.778 18.168 13.956 290 HH22 ARG 37 HH22 ARG 37 19.894 17.817 15.653 291 H ARG 38 HN ARG 38 17.310 12.172 8.072 292 HA ARG 38 HA ARG 38 15.799 9.682 8.474 293 HB2 ARG 38 HB2 ARG 38 14.312 11.524 8.197 294 HB3 ARG 38 HB1 ARG 38 15.225 12.148 6.834 295 HG2 ARG 38 HG2 ARG 38 13.149 11.143 6.095 296 HG3 ARG 38 HG1 ARG 38 14.530 10.231 5.486 297 HD2 ARG 38 HD2 ARG 38 12.878 8.677 6.228 298 HD3 ARG 38 HD1 ARG 38 14.221 8.635 7.368 299 HE ARG 38 HE ARG 38 12.357 10.461 8.343 300 HH11 ARG 38 HH11 ARG 38 12.633 7.012 7.779 301 HH12 ARG 38 HH12 ARG 38 11.436 6.593 8.971 302 HH21 ARG 38 HH21 ARG 38 10.797 9.918 9.902 303 HH22 ARG 38 HH22 ARG 38 10.392 8.251 10.190 304 H LEU 39 HN LEU 39 17.689 11.492 6.086 305 HA LEU 39 HA LEU 39 17.748 9.076 4.405 306 HB2 LEU 39 HB2 LEU 39 18.156 11.964 3.624 307 HB3 LEU 39 HB1 LEU 39 18.252 10.596 2.531 308 HG LEU 39 HG LEU 39 15.765 11.441 4.026 309 HD11 LEU 39 HD11 LEU 39 14.963 12.197 1.847 310 HD12 LEU 39 HD12 LEU 39 16.520 11.791 1.126 311 HD13 LEU 39 HD13 LEU 39 16.414 13.074 2.331 312 HD21 LEU 39 HD21 LEU 39 16.192 9.370 1.873 313 HD22 LEU 39 HD22 LEU 39 14.633 9.854 2.542 314 HD23 LEU 39 HD23 LEU 39 15.822 9.051 3.568 315 H SER 40 HN SER 40 19.705 8.456 3.444 316 HA SER 40 HA SER 40 22.041 8.783 4.989 317 HB2 SER 40 HB2 SER 40 21.818 7.819 2.127 318 HB3 SER 40 HB1 SER 40 23.136 7.482 3.250 319 HG SER 40 HG SER 40 21.534 6.424 4.588 320 H HIS 41 HN HIS 41 24.110 9.691 4.251 321 HA HIS 41 HA HIS 41 23.767 12.380 3.507 322 HB2 HIS 41 HB2 HIS 41 26.300 12.428 3.318 323 HB3 HIS 41 HB1 HIS 41 25.623 11.979 4.874 324 HD1 HIS 41 HD1 HIS 41 26.494 9.907 5.893 325 HD2 HIS 41 HD2 HIS 41 27.293 10.094 1.814 326 HE1 HIS 41 HE1 HIS 41 27.985 7.941 5.401 327 HE2 HIS 41 HE2 HIS 41 28.322 7.978 2.904 328 H ASP 42 HN ASP 42 24.476 9.564 1.522 329 HA ASP 42 HA ASP 42 25.166 11.144 -0.773 330 HB2 ASP 42 HB2 ASP 42 24.419 8.250 -0.430 331 HB3 ASP 42 HB1 ASP 42 24.630 8.962 -2.027 332 H GLU 43 HN GLU 43 22.221 9.878 0.592 333 HA GLU 43 HA GLU 43 20.573 10.345 -1.672 334 HB2 GLU 43 HB2 GLU 43 19.999 8.844 0.266 335 HB3 GLU 43 HB1 GLU 43 19.724 10.288 1.232 336 HG2 GLU 43 HG2 GLU 43 17.625 9.431 0.432 337 HG3 GLU 43 HG1 GLU 43 17.964 10.979 -0.341 338 H VAL 44 HN VAL 44 21.234 12.202 1.292 339 HA VAL 44 HA VAL 44 19.684 14.435 0.493 340 HB VAL 44 HB VAL 44 20.810 15.697 2.279 341 HG11 VAL 44 HG11 VAL 44 19.962 12.921 3.092 342 HG12 VAL 44 HG12 VAL 44 18.895 14.298 2.815 343 HG13 VAL 44 HG13 VAL 44 20.045 14.327 4.153 344 HG21 VAL 44 HG21 VAL 44 23.051 14.784 2.099 345 HG22 VAL 44 HG22 VAL 44 22.472 13.207 2.634 346 HG23 VAL 44 HG23 VAL 44 22.436 14.580 3.739 347 H LYS 45 HN LYS 45 23.058 13.533 -0.005 348 HA LYS 45 HA LYS 45 23.945 15.941 -1.138 349 HB2 LYS 45 HB2 LYS 45 25.525 14.197 -0.581 350 HB3 LYS 45 HB1 LYS 45 24.766 13.086 -1.713 351 HG2 LYS 45 HG2 LYS 45 25.613 14.231 -3.576 352 HG3 LYS 45 HG1 LYS 45 26.011 15.660 -2.621 353 HD2 LYS 45 HD2 LYS 45 28.005 14.342 -3.218 354 HD3 LYS 45 HD1 LYS 45 27.766 14.453 -1.475 355 HE2 LYS 45 HE2 LYS 45 28.403 12.207 -2.021 356 HE3 LYS 45 HE1 LYS 45 26.711 12.207 -1.531 357 HZ1 LYS 45 HZ1 LYS 45 26.044 12.059 -3.817 358 HZ2 LYS 45 HZ2 LYS 45 27.163 10.827 -3.501 359 HZ3 LYS 45 HZ3 LYS 45 27.645 12.211 -4.352 360 H ALA 46 HN ALA 46 22.272 13.173 -2.563 361 HA ALA 46 HA ALA 46 22.338 14.098 -5.236 362 HB1 ALA 46 HB1 ALA 46 20.634 12.419 -5.665 363 HB2 ALA 46 HB2 ALA 46 20.363 12.231 -3.933 364 HB3 ALA 46 HB3 ALA 46 21.910 11.765 -4.639 365 H VAL 47 HN VAL 47 19.778 14.274 -2.748 366 HA VAL 47 HA VAL 47 17.946 15.656 -4.399 367 HB VAL 47 HB VAL 47 17.261 14.403 -2.379 368 HG11 VAL 47 HG11 VAL 47 19.032 15.077 -0.856 369 HG12 VAL 47 HG12 VAL 47 17.443 15.427 -0.174 370 HG13 VAL 47 HG13 VAL 47 18.416 16.731 -0.856 371 HG21 VAL 47 HG21 VAL 47 15.738 16.006 -3.379 372 HG22 VAL 47 HG22 VAL 47 16.437 17.303 -2.409 373 HG23 VAL 47 HG23 VAL 47 15.553 15.993 -1.625 374 H ALA 48 HN ALA 48 20.465 16.793 -2.201 375 HA ALA 48 HA ALA 48 19.755 19.533 -2.310 376 HB1 ALA 48 HB1 ALA 48 21.286 18.646 -0.615 377 HB2 ALA 48 HB2 ALA 48 22.012 19.982 -1.510 378 HB3 ALA 48 HB3 ALA 48 22.482 18.321 -1.870 379 H ASN 49 HN ASN 49 21.946 17.531 -4.226 380 HA ASN 49 HA ASN 49 22.992 19.494 -5.904 381 HB2 ASN 49 HB2 ASN 49 23.873 17.205 -5.816 382 HB3 ASN 49 HB1 ASN 49 22.389 16.594 -6.538 383 HD21 ASN 49 HD21 ASN 49 23.412 15.721 -8.311 384 HD22 ASN 49 HD22 ASN 49 24.114 16.685 -9.566 385 H GLU 50 HN GLU 50 20.108 17.440 -6.376 386 HA GLU 50 HA GLU 50 19.502 18.641 -8.892 387 HB2 GLU 50 HB2 GLU 50 17.457 17.345 -8.850 388 HB3 GLU 50 HB1 GLU 50 18.813 16.347 -8.351 389 HG2 GLU 50 HG2 GLU 50 18.143 16.646 -6.008 390 HG3 GLU 50 HG1 GLU 50 16.755 17.594 -6.544 391 H LEU 51 HN LEU 51 18.563 19.310 -5.580 392 HA LEU 51 HA LEU 51 16.424 21.061 -6.255 393 HB2 LEU 51 HB2 LEU 51 16.620 20.009 -4.043 394 HB3 LEU 51 HB1 LEU 51 18.080 20.930 -3.732 395 HG LEU 51 HG LEU 51 16.840 23.001 -3.680 396 HD11 LEU 51 HD11 LEU 51 14.413 21.344 -4.345 397 HD12 LEU 51 HD12 LEU 51 15.200 22.507 -5.412 398 HD13 LEU 51 HD13 LEU 51 14.412 23.059 -3.933 399 HD21 LEU 51 HD21 LEU 51 16.930 21.738 -1.610 400 HD22 LEU 51 HD22 LEU 51 15.479 20.847 -2.069 401 HD23 LEU 51 HD23 LEU 51 15.385 22.578 -1.746 402 H MET 52 HN MET 52 19.875 21.518 -5.616 403 HA MET 52 HA MET 52 19.864 24.340 -5.828 404 HB2 MET 52 HB2 MET 52 22.044 22.307 -6.313 405 HB3 MET 52 HB1 MET 52 22.313 24.042 -6.408 406 HG2 MET 52 HG2 MET 52 21.652 24.284 -4.079 407 HG3 MET 52 HG1 MET 52 21.350 22.549 -3.975 408 HE1 MET 52 HE1 MET 52 22.912 22.519 -1.823 409 HE2 MET 52 HE2 MET 52 23.252 24.239 -2.001 410 HE3 MET 52 HE3 MET 52 24.579 23.093 -1.810 411 H ARG 53 HN ARG 53 20.175 21.752 -8.190 412 HA ARG 53 HA ARG 53 20.602 23.394 -10.456 413 HB2 ARG 53 HB2 ARG 53 21.081 21.045 -10.600 414 HB3 ARG 53 HB1 ARG 53 19.434 20.625 -10.161 415 HG2 ARG 53 HG2 ARG 53 19.644 20.237 -12.478 416 HG3 ARG 53 HG1 ARG 53 18.688 21.706 -12.298 417 HD2 ARG 53 HD2 ARG 53 21.655 21.686 -12.831 418 HD3 ARG 53 HD1 ARG 53 20.434 21.779 -14.097 419 HE ARG 53 HE ARG 53 19.878 23.827 -12.315 420 HH11 ARG 53 HH11 ARG 53 22.427 22.905 -14.538 421 HH12 ARG 53 HH12 ARG 53 23.019 24.532 -14.730 422 HH21 ARG 53 HH21 ARG 53 20.641 25.965 -12.573 423 HH22 ARG 53 HH22 ARG 53 22.019 26.268 -13.597 424 H LEU 54 HN LEU 54 17.711 22.257 -8.806 425 HA LEU 54 HA LEU 54 15.849 23.107 -10.770 426 HB2 LEU 54 HB2 LEU 54 15.581 21.485 -8.751 427 HB3 LEU 54 HB1 LEU 54 15.229 22.936 -7.835 428 HG LEU 54 HG LEU 54 13.670 22.219 -10.310 429 HD11 LEU 54 HD11 LEU 54 12.004 21.197 -8.840 430 HD12 LEU 54 HD12 LEU 54 13.093 21.401 -7.467 431 HD13 LEU 54 HD13 LEU 54 13.536 20.324 -8.792 432 HD21 LEU 54 HD21 LEU 54 13.017 23.900 -7.891 433 HD22 LEU 54 HD22 LEU 54 11.951 23.599 -9.264 434 HD23 LEU 54 HD23 LEU 54 13.445 24.509 -9.490 435 H GLY 55 HN GLY 55 17.381 24.673 -8.018 436 HA2 GLY 55 HA2 GLY 55 17.894 27.050 -8.461 437 HA3 GLY 55 HA1 GLY 55 16.230 27.214 -8.996 438 H ASP 56 HN ASP 56 15.480 25.382 -6.643 439 HA ASP 56 HA ASP 56 14.973 27.626 -4.876 440 HB2 ASP 56 HB2 ASP 56 13.928 24.803 -4.971 441 HB3 ASP 56 HB1 ASP 56 13.561 25.890 -3.636 442 H PHE 57 HN PHE 57 17.625 26.998 -4.839 443 HA PHE 57 HA PHE 57 18.048 26.530 -2.019 444 HB2 PHE 57 HB2 PHE 57 18.184 24.272 -3.478 445 HB3 PHE 57 HB1 PHE 57 19.797 24.885 -3.803 446 HD1 PHE 57 HD1 PHE 57 20.566 26.013 -1.153 447 HD2 PHE 57 HD2 PHE 57 18.469 22.444 -2.153 448 HE1 PHE 57 HE1 PHE 57 21.350 24.968 0.924 449 HE2 PHE 57 HE2 PHE 57 19.251 21.401 -0.077 450 HZ PHE 57 HZ PHE 57 20.691 22.660 1.469 451 H ASP 58 HN ASP 58 20.178 27.354 -1.399 452 HA ASP 58 HA ASP 58 21.241 29.243 -3.315 453 HB2 ASP 58 HB2 ASP 58 22.607 30.079 -1.521 454 HB3 ASP 58 HB1 ASP 58 20.993 29.806 -0.878 455 H GLN 59 HN GLN 59 23.402 29.200 -4.107 456 HA GLN 59 HA GLN 59 24.149 26.467 -4.688 457 HB2 GLN 59 HB2 GLN 59 25.001 29.107 -5.851 458 HB3 GLN 59 HB1 GLN 59 25.817 27.606 -6.264 459 HG2 GLN 59 HG2 GLN 59 24.253 27.979 -7.973 460 HG3 GLN 59 HG1 GLN 59 23.566 26.710 -6.964 461 HE21 GLN 59 HE21 GLN 59 21.469 27.103 -7.610 462 HE22 GLN 59 HE22 GLN 59 20.595 28.523 -7.146 463 H ILE 60 HN ILE 60 24.950 25.847 -2.708 464 HA ILE 60 HA ILE 60 27.696 26.771 -2.153 465 HB ILE 60 HB ILE 60 27.237 26.012 0.231 466 HG12 ILE 60 HG12 ILE 60 24.374 26.195 -0.729 467 HG13 ILE 60 HG11 ILE 60 25.204 24.712 -0.278 468 HG21 ILE 60 HG21 ILE 60 25.710 28.378 -0.832 469 HG22 ILE 60 HG22 ILE 60 27.410 28.353 -0.362 470 HG23 ILE 60 HG23 ILE 60 26.155 28.119 0.854 471 HD11 ILE 60 HD11 ILE 60 25.358 25.438 2.003 472 HD12 ILE 60 HD12 ILE 60 23.682 25.561 1.454 473 HD13 ILE 60 HD13 ILE 60 24.679 27.011 1.583 474 H ASP 61 HN ASP 61 28.440 24.823 -0.362 475 HA ASP 61 HA ASP 61 28.126 22.351 -1.915 476 HB2 ASP 61 HB2 ASP 61 30.453 23.390 -0.315 477 HB3 ASP 61 HB1 ASP 61 30.310 21.689 -0.750 478 H ILE 62 HN ILE 62 26.422 21.420 -0.923 479 HA ILE 62 HA ILE 62 26.364 21.128 1.965 480 HB ILE 62 HB ILE 62 24.549 20.073 -0.212 481 HG12 ILE 62 HG12 ILE 62 24.397 22.487 0.177 482 HG13 ILE 62 HG11 ILE 62 22.930 21.669 0.704 483 HG21 ILE 62 HG21 ILE 62 23.026 19.351 1.560 484 HG22 ILE 62 HG22 ILE 62 24.227 19.797 2.772 485 HG23 ILE 62 HG23 ILE 62 24.565 18.491 1.636 486 HD11 ILE 62 HD11 ILE 62 23.682 21.803 3.017 487 HD12 ILE 62 HD12 ILE 62 23.598 23.399 2.271 488 HD13 ILE 62 HD13 ILE 62 25.159 22.610 2.492 489 H GLY 63 HN GLY 63 27.167 19.304 -0.895 490 HA2 GLY 63 HA2 GLY 63 27.239 16.707 0.136 491 HA3 GLY 63 HA1 GLY 63 28.204 17.289 -1.212 492 H VAL 64 HN VAL 64 29.640 19.274 0.267 493 HA VAL 64 HA VAL 64 31.741 17.679 1.302 494 HB VAL 64 HB VAL 64 31.305 20.661 1.568 495 HG11 VAL 64 HG11 VAL 64 33.808 19.021 1.965 496 HG12 VAL 64 HG12 VAL 64 32.887 19.832 3.231 497 HG13 VAL 64 HG13 VAL 64 33.714 20.782 1.996 498 HG21 VAL 64 HG21 VAL 64 32.853 20.840 -0.318 499 HG22 VAL 64 HG22 VAL 64 31.412 19.924 -0.757 500 HG23 VAL 64 HG23 VAL 64 32.926 19.081 -0.428 501 H VAL 65 HN VAL 65 29.177 19.578 2.837 502 HA VAL 65 HA VAL 65 30.309 19.372 5.456 503 HB VAL 65 HB VAL 65 27.461 20.087 4.750 504 HG11 VAL 65 HG11 VAL 65 27.506 21.313 6.873 505 HG12 VAL 65 HG12 VAL 65 29.144 20.733 7.170 506 HG13 VAL 65 HG13 VAL 65 27.802 19.590 7.112 507 HG21 VAL 65 HG21 VAL 65 29.875 21.879 4.988 508 HG22 VAL 65 HG22 VAL 65 28.210 22.424 4.792 509 HG23 VAL 65 HG23 VAL 65 28.995 21.506 3.506 510 H ILE 66 HN ILE 66 27.885 17.560 3.652 511 HA ILE 66 HA ILE 66 26.988 16.083 5.944 512 HB ILE 66 HB ILE 66 25.791 14.662 4.294 513 HG12 ILE 66 HG12 ILE 66 27.197 16.482 2.336 514 HG13 ILE 66 HG11 ILE 66 27.284 14.726 2.421 515 HG21 ILE 66 HG21 ILE 66 24.746 16.649 5.231 516 HG22 ILE 66 HG22 ILE 66 24.243 16.407 3.558 517 HG23 ILE 66 HG23 ILE 66 25.446 17.636 3.948 518 HD11 ILE 66 HD11 ILE 66 24.860 16.335 1.672 519 HD12 ILE 66 HD12 ILE 66 24.954 14.575 1.743 520 HD13 ILE 66 HD13 ILE 66 25.916 15.463 0.562 521 H THR 67 HN THR 67 29.574 15.729 3.690 522 HA THR 67 HA THR 67 30.017 12.961 4.543 523 HB THR 67 HB THR 67 31.834 12.957 2.824 524 HG1 THR 67 HG1 THR 67 30.757 15.347 1.771 525 HG21 THR 67 HG21 THR 67 29.596 12.128 2.273 526 HG22 THR 67 HG22 THR 67 30.330 12.924 0.879 527 HG23 THR 67 HG23 THR 67 29.094 13.758 1.822 528 H HIS 68 HN HIS 68 31.008 16.148 5.136 529 HA HIS 68 HA HIS 68 32.989 15.221 7.059 530 HB2 HIS 68 HB2 HIS 68 34.214 15.794 4.940 531 HB3 HIS 68 HB1 HIS 68 33.584 17.430 5.071 532 HD1 HIS 68 HD1 HIS 68 34.794 19.033 6.612 533 HD2 HIS 68 HD2 HIS 68 36.143 15.107 6.943 534 HE1 HIS 68 HE1 HIS 68 36.883 19.143 8.005 535 HE2 HIS 68 HE2 HIS 68 37.784 16.789 8.031 536 H PHE 69 HN PHE 69 31.598 15.814 8.684 537 HA PHE 69 HA PHE 69 30.148 18.275 8.651 538 HB2 PHE 69 HB2 PHE 69 30.502 16.093 10.688 539 HB3 PHE 69 HB1 PHE 69 29.646 17.578 11.084 540 HD1 PHE 69 HD2 PHE 69 27.502 18.077 10.107 541 HD2 PHE 69 HD1 PHE 69 29.557 14.474 9.156 542 HE1 PHE 69 HE2 PHE 69 25.430 17.153 9.161 543 HE2 PHE 69 HE1 PHE 69 27.488 13.541 8.204 544 HZ PHE 69 HZ PHE 69 25.420 14.881 8.207 545 H THR 70 HN THR 70 30.214 19.834 10.403 546 HA THR 70 HA THR 70 32.941 20.504 11.201 547 HB THR 70 HB THR 70 30.460 22.162 11.683 548 HG1 THR 70 HG1 THR 70 31.995 21.836 9.321 549 HG21 THR 70 HG21 THR 70 32.512 22.878 12.821 550 HG22 THR 70 HG22 THR 70 32.040 24.033 11.574 551 HG23 THR 70 HG23 THR 70 33.362 22.905 11.275 552 H ASP 71 HN ASP 71 33.220 21.247 13.516 553 HA ASP 71 HA ASP 71 31.953 19.308 15.258 554 HB2 ASP 71 HB2 ASP 71 34.220 21.254 15.649 555 HB3 ASP 71 HB1 ASP 71 33.550 20.313 16.978 556 H GLU 72 HN GLU 72 32.254 22.838 15.067 557 HA GLU 72 HA GLU 72 30.364 23.136 17.265 558 HB2 GLU 72 HB2 GLU 72 32.495 24.506 16.966 559 HB3 GLU 72 HB1 GLU 72 31.662 25.330 15.657 560 HG2 GLU 72 HG2 GLU 72 30.029 26.208 17.147 561 HG3 GLU 72 HG1 GLU 72 30.625 25.208 18.475 562 H LEU 73 HN LEU 73 30.442 23.238 13.835 563 HA LEU 73 HA LEU 73 27.748 24.411 13.730 564 HB2 LEU 73 HB2 LEU 73 29.915 24.144 11.653 565 HB3 LEU 73 HB1 LEU 73 28.254 24.469 11.205 566 HG LEU 73 HG LEU 73 28.374 26.534 12.657 567 HD11 LEU 73 HD11 LEU 73 30.595 27.424 13.154 568 HD12 LEU 73 HD12 LEU 73 31.324 25.920 12.593 569 HD13 LEU 73 HD13 LEU 73 30.291 25.920 14.023 570 HD21 LEU 73 HD21 LEU 73 30.253 26.352 10.307 571 HD22 LEU 73 HD22 LEU 73 29.557 27.834 10.961 572 HD23 LEU 73 HD23 LEU 73 28.512 26.619 10.225 573 HA PRO 74 HA PRO 74 26.417 24.424 11.535 574 HB2 PRO 74 HB2 PRO 74 23.825 23.717 11.345 575 HB3 PRO 74 HB1 PRO 74 25.015 23.253 10.118 576 HG2 PRO 74 HG2 PRO 74 23.908 21.640 12.387 577 HG3 PRO 74 HG1 PRO 74 24.182 21.160 10.703 578 HD2 PRO 74 HD2 PRO 74 25.896 20.537 12.723 579 HD3 PRO 74 HD1 PRO 74 26.421 20.774 11.044 580 H SER 75 HN SER 75 24.898 25.982 12.408 581 HA SER 75 HA SER 75 25.150 26.186 15.203 582 HB2 SER 75 HB2 SER 75 23.370 27.817 13.386 583 HB3 SER 75 HB1 SER 75 24.002 28.296 14.962 584 HG SER 75 HG SER 75 25.119 28.990 12.882 585 HA PRO 76 HA PRO 76 21.594 23.944 16.638 586 HB2 PRO 76 HB2 PRO 76 21.841 25.765 18.966 587 HB3 PRO 76 HB1 PRO 76 21.845 23.999 18.911 588 HG2 PRO 76 HG2 PRO 76 24.097 25.343 19.353 589 HG3 PRO 76 HG1 PRO 76 24.093 23.893 18.331 590 HD2 PRO 76 HD2 PRO 76 24.153 26.777 17.528 591 HD3 PRO 76 HD1 PRO 76 25.057 25.402 16.857 592 H GLU 77 HN GLU 77 21.730 27.475 16.902 593 HA GLU 77 HA GLU 77 18.932 27.806 17.270 594 HB2 GLU 77 HB2 GLU 77 20.939 29.795 16.193 595 HB3 GLU 77 HB1 GLU 77 19.342 30.168 16.829 596 HG2 GLU 77 HG2 GLU 77 21.692 29.076 18.358 597 HG3 GLU 77 HG1 GLU 77 20.994 30.690 18.482 598 H ASP 78 HN ASP 78 21.024 27.521 14.497 599 HA ASP 78 HA ASP 78 19.086 28.339 12.569 600 HB2 ASP 78 HB2 ASP 78 21.724 26.903 12.362 601 HB3 ASP 78 HB1 ASP 78 20.685 27.124 10.956 602 H VAL 79 HN VAL 79 20.198 25.161 13.776 603 HA VAL 79 HA VAL 79 18.508 23.675 12.063 604 HB VAL 79 HB VAL 79 18.744 21.792 13.652 605 HG11 VAL 79 HG11 VAL 79 20.372 22.119 11.883 606 HG12 VAL 79 HG12 VAL 79 21.158 21.495 13.332 607 HG13 VAL 79 HG13 VAL 79 21.302 23.203 12.918 608 HG21 VAL 79 HG21 VAL 79 18.859 22.968 15.750 609 HG22 VAL 79 HG22 VAL 79 20.369 23.738 15.261 610 HG23 VAL 79 HG23 VAL 79 20.315 21.997 15.526 611 H GLU 80 HN GLU 80 18.005 24.859 15.358 612 HA GLU 80 HA GLU 80 15.365 23.934 15.641 613 HB2 GLU 80 HB2 GLU 80 16.782 26.323 16.819 614 HB3 GLU 80 HB1 GLU 80 15.152 25.857 17.281 615 HG2 GLU 80 HG2 GLU 80 17.515 24.016 17.491 616 HG3 GLU 80 HG1 GLU 80 16.996 25.080 18.796 617 H ARG 81 HN ARG 81 16.690 26.758 14.038 618 HA ARG 81 HA ARG 81 14.287 28.183 13.648 619 HB2 ARG 81 HB2 ARG 81 16.685 29.009 13.340 620 HB3 ARG 81 HB1 ARG 81 16.652 28.212 11.775 621 HG2 ARG 81 HG2 ARG 81 16.171 30.527 11.457 622 HG3 ARG 81 HG1 ARG 81 14.689 29.612 11.170 623 HD2 ARG 81 HD2 ARG 81 14.277 31.633 12.500 624 HD3 ARG 81 HD1 ARG 81 13.890 30.163 13.393 625 HE ARG 81 HE ARG 81 16.550 30.958 13.934 626 HH11 ARG 81 HH11 ARG 81 13.246 31.898 14.618 627 HH12 ARG 81 HH12 ARG 81 13.627 32.610 16.157 628 HH21 ARG 81 HH21 ARG 81 17.053 31.877 15.962 629 HH22 ARG 81 HH22 ARG 81 15.786 32.557 16.942 630 H VAL 82 HN VAL 82 16.115 26.094 11.398 631 HA VAL 82 HA VAL 82 14.169 26.084 9.367 632 HB VAL 82 HB VAL 82 16.550 25.360 9.072 633 HG11 VAL 82 HG11 VAL 82 15.621 22.799 10.359 634 HG12 VAL 82 HG12 VAL 82 16.781 23.942 11.036 635 HG13 VAL 82 HG13 VAL 82 17.174 23.055 9.563 636 HG21 VAL 82 HG21 VAL 82 16.064 23.570 7.464 637 HG22 VAL 82 HG22 VAL 82 14.924 24.906 7.344 638 HG23 VAL 82 HG23 VAL 82 14.446 23.413 8.147 639 H ARG 83 HN ARG 83 14.618 24.103 12.220 640 HA ARG 83 HA ARG 83 12.750 22.087 11.723 641 HB2 ARG 83 HB2 ARG 83 14.417 22.107 13.557 642 HB3 ARG 83 HB1 ARG 83 13.500 23.371 14.358 643 HG2 ARG 83 HG2 ARG 83 11.609 21.819 14.593 644 HG3 ARG 83 HG1 ARG 83 12.586 20.551 13.843 645 HD2 ARG 83 HD2 ARG 83 14.273 20.876 15.640 646 HD3 ARG 83 HD1 ARG 83 13.170 22.009 16.416 647 HE ARG 83 HE ARG 83 11.775 19.634 16.034 648 HH11 ARG 83 HH11 ARG 83 14.517 20.844 17.844 649 HH12 ARG 83 HH12 ARG 83 14.398 19.636 19.088 650 HH21 ARG 83 HH21 ARG 83 11.590 18.042 17.689 651 HH22 ARG 83 HH22 ARG 83 12.711 18.055 19.017 652 H ALA 84 HN ALA 84 12.359 25.254 13.284 653 HA ALA 84 HA ALA 84 9.603 24.948 13.862 654 HB1 ALA 84 HB1 ALA 84 11.030 26.565 15.021 655 HB2 ALA 84 HB2 ALA 84 9.613 27.338 14.310 656 HB3 ALA 84 HB3 ALA 84 11.187 27.491 13.528 657 H ARG 85 HN ARG 85 11.336 26.440 11.156 658 HA ARG 85 HA ARG 85 9.039 27.513 9.895 659 HB2 ARG 85 HB2 ARG 85 11.793 26.861 8.860 660 HB3 ARG 85 HB1 ARG 85 10.553 27.595 7.855 661 HG2 ARG 85 HG2 ARG 85 11.613 28.779 10.412 662 HG3 ARG 85 HG1 ARG 85 12.145 29.225 8.789 663 HD2 ARG 85 HD2 ARG 85 9.811 29.876 8.255 664 HD3 ARG 85 HD1 ARG 85 9.365 29.532 9.927 665 HE ARG 85 HE ARG 85 11.429 31.297 10.147 666 HH11 ARG 85 HH11 ARG 85 8.332 31.350 8.475 667 HH12 ARG 85 HH12 ARG 85 8.200 33.082 8.560 668 HH21 ARG 85 HH21 ARG 85 11.224 33.559 10.243 669 HH22 ARG 85 HH22 ARG 85 9.825 34.329 9.553 670 H LEU 86 HN LEU 86 10.888 24.532 9.241 671 HA LEU 86 HA LEU 86 9.323 23.775 7.002 672 HB2 LEU 86 HB2 LEU 86 11.392 22.473 8.685 673 HB3 LEU 86 HB1 LEU 86 10.384 21.435 7.698 674 HG LEU 86 HG LEU 86 12.573 22.076 6.671 675 HD11 LEU 86 HD11 LEU 86 10.718 21.291 5.303 676 HD12 LEU 86 HD12 LEU 86 11.643 22.531 4.455 677 HD13 LEU 86 HD13 LEU 86 10.091 22.937 5.188 678 HD21 LEU 86 HD21 LEU 86 12.782 24.312 5.690 679 HD22 LEU 86 HD22 LEU 86 12.691 24.384 7.451 680 HD23 LEU 86 HD23 LEU 86 11.279 24.796 6.477 681 H ALA 87 HN ALA 87 8.891 23.316 10.403 682 HA ALA 87 HA ALA 87 7.208 21.076 10.401 683 HB1 ALA 87 HB1 ALA 87 8.191 22.022 12.435 684 HB2 ALA 87 HB2 ALA 87 6.441 21.855 12.578 685 HB3 ALA 87 HB3 ALA 87 7.155 23.440 12.275 686 H ALA 88 HN ALA 88 6.656 24.327 9.401 687 HA ALA 88 HA ALA 88 3.840 24.408 9.730 688 HB1 ALA 88 HB1 ALA 88 5.210 26.425 9.510 689 HB2 ALA 88 HB2 ALA 88 3.917 26.379 8.313 690 HB3 ALA 88 HB3 ALA 88 5.571 25.993 7.839 691 H GLN 89 HN GLN 89 5.923 23.080 7.271 692 HA GLN 89 HA GLN 89 3.642 22.733 5.453 693 HB2 GLN 89 HB2 GLN 89 6.581 22.202 4.965 694 HB3 GLN 89 HB1 GLN 89 5.303 22.058 3.770 695 HG2 GLN 89 HG2 GLN 89 6.273 24.106 3.294 696 HG3 GLN 89 HG1 GLN 89 4.851 24.536 4.241 697 HE21 GLN 89 HE21 GLN 89 5.691 26.482 4.927 698 HE22 GLN 89 HE22 GLN 89 6.994 26.591 6.055 699 H GLY 90 HN GLY 90 4.671 21.186 8.004 700 HA2 GLY 90 HA2 GLY 90 3.808 18.996 8.522 701 HA3 GLY 90 HA1 GLY 90 4.118 18.531 6.853 702 H TRP 91 HN TRP 91 5.107 16.749 8.443 703 HA TRP 91 HA TRP 91 7.967 17.267 8.419 704 HB2 TRP 91 HB2 TRP 91 6.933 17.949 10.698 705 HB3 TRP 91 HB1 TRP 91 6.784 16.217 10.973 706 HD1 TRP 91 HD1 TRP 91 9.010 14.865 11.505 707 HE1 TRP 91 HE1 TRP 91 11.392 15.611 12.120 708 HE3 TRP 91 HE3 TRP 91 8.689 19.790 10.166 709 HZ2 TRP 91 HZ2 TRP 91 12.937 17.969 12.032 710 HZ3 TRP 91 HZ3 TRP 91 10.669 21.219 10.459 711 HH2 TRP 91 HH2 TRP 91 12.749 20.323 11.373 712 HA PRO 92 HA PRO 92 7.141 12.875 7.375 713 HB2 PRO 92 HB2 PRO 92 8.360 12.855 4.988 714 HB3 PRO 92 HB1 PRO 92 6.704 13.446 5.166 715 HG2 PRO 92 HG2 PRO 92 9.251 14.988 4.911 716 HG3 PRO 92 HG1 PRO 92 7.665 15.317 4.193 717 HD2 PRO 92 HD2 PRO 92 8.654 16.551 6.461 718 HD3 PRO 92 HD1 PRO 92 6.933 16.427 6.049 719 H LEU 93 HN LEU 93 9.592 14.829 8.259 720 HA LEU 93 HA LEU 93 11.899 13.279 7.658 721 HB2 LEU 93 HB2 LEU 93 11.887 15.716 8.222 722 HB3 LEU 93 HB1 LEU 93 11.512 15.286 9.880 723 HG LEU 93 HG LEU 93 13.661 14.005 9.963 724 HD11 LEU 93 HD11 LEU 93 15.331 14.481 8.239 725 HD12 LEU 93 HD12 LEU 93 14.115 15.360 7.313 726 HD13 LEU 93 HD13 LEU 93 13.934 13.627 7.584 727 HD21 LEU 93 HD21 LEU 93 13.848 16.942 9.315 728 HD22 LEU 93 HD22 LEU 93 15.073 15.996 10.160 729 HD23 LEU 93 HD23 LEU 93 13.488 16.245 10.894 730 H ASP 94 HN ASP 94 9.701 13.498 10.396 731 HA ASP 94 HA ASP 94 11.031 11.176 11.619 732 HB2 ASP 94 HB2 ASP 94 10.748 13.486 12.871 733 HB3 ASP 94 HB1 ASP 94 9.095 12.933 13.105 734 H ASP 95 HN ASP 95 8.938 10.340 13.247 735 HA ASP 95 HA ASP 95 6.864 9.640 11.267 736 HB2 ASP 95 HB2 ASP 95 8.155 7.894 13.366 737 HB3 ASP 95 HB1 ASP 95 6.641 7.470 12.575 738 H VAL 96 HN VAL 96 4.837 10.078 11.830 739 HA VAL 96 HA VAL 96 4.297 10.674 14.657 740 HB VAL 96 HB VAL 96 4.417 12.762 13.410 741 HG11 VAL 96 HG11 VAL 96 2.208 11.652 11.686 742 HG12 VAL 96 HG12 VAL 96 3.877 11.924 11.185 743 HG13 VAL 96 HG13 VAL 96 2.853 13.293 11.618 744 HG21 VAL 96 HG21 VAL 96 2.199 13.668 13.963 745 HG22 VAL 96 HG22 VAL 96 2.841 12.645 15.248 746 HG23 VAL 96 HG23 VAL 96 1.593 12.024 14.167 747 H ARG 97 HN ARG 97 2.639 9.642 15.537 748 HA ARG 97 HA ARG 97 1.028 7.843 13.987 749 HB2 ARG 97 HB2 ARG 97 -0.079 7.341 16.136 750 HB3 ARG 97 HB1 ARG 97 1.671 7.245 16.262 751 HG2 ARG 97 HG2 ARG 97 1.700 9.487 17.284 752 HG3 ARG 97 HG1 ARG 97 -0.063 9.523 17.205 753 HD2 ARG 97 HD2 ARG 97 -0.163 7.544 18.645 754 HD3 ARG 97 HD1 ARG 97 1.598 7.509 18.721 755 HE ARG 97 HE ARG 97 0.280 9.948 19.629 756 HH11 ARG 97 HH11 ARG 97 1.803 6.910 20.490 757 HH12 ARG 97 HH12 ARG 97 2.168 7.414 22.114 758 HH21 ARG 97 HH21 ARG 97 0.691 10.587 21.767 759 HH22 ARG 97 HH22 ARG 97 1.489 9.480 22.861 760 H ASP 98 HN ASP 98 -1.047 8.120 13.273 761 HA ASP 98 HA ASP 98 -2.041 10.794 13.142 762 HB2 ASP 98 HB2 ASP 98 -2.372 9.130 11.312 763 HB3 ASP 98 HB1 ASP 98 -3.479 8.249 12.362 764 H ARG 99 HN ARG 99 -2.799 11.707 14.883 765 HA ARG 99 HA ARG 99 -5.150 10.963 16.172 766 HB2 ARG 99 HB2 ARG 99 -3.547 9.250 17.185 767 HB3 ARG 99 HB1 ARG 99 -2.669 10.606 17.880 768 HG2 ARG 99 HG2 ARG 99 -4.048 9.893 19.601 769 HG3 ARG 99 HG1 ARG 99 -4.909 11.275 18.921 770 HD2 ARG 99 HD2 ARG 99 -6.624 9.773 19.059 771 HD3 ARG 99 HD1 ARG 99 -6.032 9.406 17.439 772 HE ARG 99 HE ARG 99 -4.927 7.855 19.652 773 HH11 ARG 99 HH11 ARG 99 -7.148 7.979 16.924 774 HH12 ARG 99 HH12 ARG 99 -7.387 6.256 16.904 775 HH21 ARG 99 HH21 ARG 99 -5.276 5.602 19.606 776 HH22 ARG 99 HH22 ARG 99 -6.332 4.918 18.407 777 H GLU 100 HN GLU 100 -5.810 12.745 17.391 778 HA GLU 100 HA GLU 100 -4.412 15.156 16.859 779 HB2 GLU 100 HB2 GLU 100 -6.985 14.723 17.221 780 HB3 GLU 100 HB1 GLU 100 -6.595 15.022 18.908 781 HG2 GLU 100 HG2 GLU 100 -6.074 16.922 16.631 782 HG3 GLU 100 HG1 GLU 100 -7.416 17.021 17.765 783 H GLU 101 HN GLU 101 -2.410 14.933 17.790 784 HA GLU 101 HA GLU 101 -2.238 14.714 20.700 785 HB2 GLU 101 HB2 GLU 101 -0.029 14.816 18.636 786 HB3 GLU 101 HB1 GLU 101 0.161 14.449 20.344 787 HG2 GLU 101 HG2 GLU 101 -1.417 12.785 18.397 788 HG3 GLU 101 HG1 GLU 101 0.245 12.462 18.885 789 H HIS 102 HN HIS 102 -0.649 16.670 18.191 790 HA HIS 102 HA HIS 102 -1.043 19.065 19.855 791 HB2 HIS 102 HB2 HIS 102 1.261 18.311 20.189 792 HB3 HIS 102 HB1 HIS 102 1.515 18.242 18.450 793 HD1 HIS 102 HD1 HIS 102 1.595 20.594 17.190 794 HD2 HIS 102 HD2 HIS 102 1.691 20.769 21.347 795 HE1 HIS 102 HE1 HIS 102 2.375 22.910 17.756 796 HE2 HIS 102 HE2 HIS 102 2.547 22.959 20.262 797 H ALA 103 HN ALA 103 -2.291 20.384 18.703 798 HA ALA 103 HA ALA 103 -1.765 20.641 15.815 799 HB1 ALA 103 HB1 ALA 103 -4.311 21.249 17.318 800 HB2 ALA 103 HB2 ALA 103 -4.017 19.820 16.327 801 HB3 ALA 103 HB3 ALA 103 -4.067 21.416 15.579 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 1.622 4.963 -9.901 2 H2 GLY 1 HT2 GLY 1 3.017 5.869 -10.211 3 H3 GLY 1 HT3 GLY 1 2.275 5.953 -8.688 4 HA2 GLY 1 HA1 GLY 1 2.749 3.549 -8.393 5 HA3 GLY 1 HA2 GLY 1 3.693 3.635 -9.874 6 H SER 2 HN SER 2 4.362 3.134 -6.966 7 HA SER 2 HA SER 2 5.870 5.400 -6.100 8 HB2 SER 2 HB2 SER 2 4.934 3.771 -4.503 9 HB3 SER 2 HB1 SER 2 5.997 2.524 -5.155 10 HG SER 2 HG SER 2 7.675 3.392 -4.165 11 H HIS 3 HN HIS 3 7.608 6.055 -7.108 12 HA HIS 3 HA HIS 3 9.694 4.081 -7.722 13 HB2 HIS 3 HB2 HIS 3 8.886 6.502 -9.341 14 HB3 HIS 3 HB1 HIS 3 10.445 5.713 -9.537 15 HD1 HIS 3 HD1 HIS 3 10.514 3.547 -10.875 16 HD2 HIS 3 HD2 HIS 3 6.650 4.959 -10.221 17 HE1 HIS 3 HE1 HIS 3 9.019 2.153 -12.343 18 HE2 HIS 3 HE2 HIS 3 6.705 3.109 -12.035 19 H MET 4 HN MET 4 11.903 5.310 -7.871 20 HA MET 4 HA MET 4 12.325 6.350 -5.266 21 HB2 MET 4 HB2 MET 4 14.008 5.020 -6.485 22 HB3 MET 4 HB1 MET 4 14.199 6.331 -7.640 23 HG2 MET 4 HG2 MET 4 16.007 6.344 -6.045 24 HG3 MET 4 HG1 MET 4 15.014 7.787 -5.853 25 HE1 MET 4 HE1 MET 4 16.251 6.997 -2.201 26 HE2 MET 4 HE2 MET 4 16.224 8.187 -3.503 27 HE3 MET 4 HE3 MET 4 17.153 6.699 -3.686 28 H ASN 5 HN ASN 5 12.258 7.828 -8.475 29 HA ASN 5 HA ASN 5 13.230 10.352 -7.788 30 HB2 ASN 5 HB2 ASN 5 13.044 9.662 -10.099 31 HB3 ASN 5 HB1 ASN 5 11.291 9.563 -9.968 32 HD21 ASN 5 HD21 ASN 5 14.039 11.682 -10.187 33 HD22 ASN 5 HD22 ASN 5 13.152 13.125 -10.550 34 H ARG 6 HN ARG 6 9.898 9.125 -7.700 35 HA ARG 6 HA ARG 6 8.695 11.631 -7.309 36 HB2 ARG 6 HB2 ARG 6 6.680 10.488 -6.754 37 HB3 ARG 6 HB1 ARG 6 7.456 9.704 -8.120 38 HG2 ARG 6 HG2 ARG 6 6.996 7.885 -6.981 39 HG3 ARG 6 HG1 ARG 6 8.476 8.252 -6.121 40 HD2 ARG 6 HD2 ARG 6 7.127 9.467 -4.429 41 HD3 ARG 6 HD1 ARG 6 5.666 8.941 -5.262 42 HE ARG 6 HE ARG 6 7.102 6.646 -4.696 43 HH11 ARG 6 HH11 ARG 6 5.657 9.259 -2.894 44 HH12 ARG 6 HH12 ARG 6 5.306 8.293 -1.494 45 HH21 ARG 6 HH21 ARG 6 6.642 5.339 -2.866 46 HH22 ARG 6 HH22 ARG 6 5.885 6.058 -1.471 47 H PHE 7 HN PHE 7 10.212 9.430 -5.114 48 HA PHE 7 HA PHE 7 9.069 10.522 -2.729 49 HB2 PHE 7 HB2 PHE 7 10.041 8.226 -2.876 50 HB3 PHE 7 HB1 PHE 7 11.637 8.946 -3.056 51 HD1 PHE 7 HD2 PHE 7 8.788 8.522 -0.752 52 HD2 PHE 7 HD1 PHE 7 12.849 9.718 -1.177 53 HE1 PHE 7 HE2 PHE 7 9.022 8.584 1.696 54 HE2 PHE 7 HE1 PHE 7 13.091 9.781 1.271 55 HZ PHE 7 HZ PHE 7 11.175 9.216 2.709 56 H LEU 8 HN LEU 8 12.218 10.846 -4.346 57 HA LEU 8 HA LEU 8 13.269 12.774 -2.596 58 HB2 LEU 8 HB2 LEU 8 13.881 12.310 -5.517 59 HB3 LEU 8 HB1 LEU 8 14.846 13.292 -4.432 60 HG LEU 8 HG LEU 8 14.393 10.317 -4.175 61 HD11 LEU 8 HD11 LEU 8 16.829 11.890 -5.004 62 HD12 LEU 8 HD12 LEU 8 15.833 10.883 -6.054 63 HD13 LEU 8 HD13 LEU 8 16.766 10.145 -4.752 64 HD21 LEU 8 HD21 LEU 8 16.053 10.419 -2.394 65 HD22 LEU 8 HD22 LEU 8 14.651 11.416 -2.004 66 HD23 LEU 8 HD23 LEU 8 16.143 12.172 -2.564 67 H THR 9 HN THR 9 11.363 13.069 -5.556 68 HA THR 9 HA THR 9 11.525 15.854 -5.841 69 HB THR 9 HB THR 9 9.261 14.032 -6.683 70 HG1 THR 9 HG1 THR 9 11.134 13.333 -7.665 71 HG21 THR 9 HG21 THR 9 10.068 16.768 -7.682 72 HG22 THR 9 HG22 THR 9 8.620 16.393 -6.748 73 HG23 THR 9 HG23 THR 9 8.807 15.752 -8.381 74 H SER 10 HN SER 10 9.252 13.848 -3.975 75 HA SER 10 HA SER 10 7.609 16.067 -3.252 76 HB2 SER 10 HB2 SER 10 6.769 14.391 -1.464 77 HB3 SER 10 HB1 SER 10 6.472 14.026 -3.163 78 HG SER 10 HG SER 10 8.000 12.484 -3.120 79 H ILE 11 HN ILE 11 10.313 14.363 -1.704 80 HA ILE 11 HA ILE 11 10.380 15.840 0.684 81 HB ILE 11 HB ILE 11 12.708 14.747 -0.913 82 HG12 ILE 11 HG12 ILE 11 11.123 13.015 -0.235 83 HG13 ILE 11 HG11 ILE 11 12.618 12.872 0.684 84 HG21 ILE 11 HG21 ILE 11 12.615 15.663 1.958 85 HG22 ILE 11 HG22 ILE 11 13.465 16.462 0.635 86 HG23 ILE 11 HG23 ILE 11 13.981 14.865 1.178 87 HD11 ILE 11 HD11 ILE 11 10.687 12.509 2.100 88 HD12 ILE 11 HD12 ILE 11 10.046 14.092 1.663 89 HD13 ILE 11 HD13 ILE 11 11.542 13.973 2.586 90 H VAL 12 HN VAL 12 11.935 16.480 -2.446 91 HA VAL 12 HA VAL 12 13.067 18.961 -1.874 92 HB VAL 12 HB VAL 12 11.956 17.898 -4.480 93 HG11 VAL 12 HG11 VAL 12 11.992 20.326 -4.574 94 HG12 VAL 12 HG12 VAL 12 13.262 19.647 -5.592 95 HG13 VAL 12 HG13 VAL 12 13.666 20.338 -4.020 96 HG21 VAL 12 HG21 VAL 12 13.830 16.633 -3.583 97 HG22 VAL 12 HG22 VAL 12 14.772 18.115 -3.423 98 HG23 VAL 12 HG23 VAL 12 14.317 17.526 -5.023 99 H ALA 13 HN ALA 13 9.796 18.159 -2.981 100 HA ALA 13 HA ALA 13 8.819 20.744 -3.351 101 HB1 ALA 13 HB1 ALA 13 7.611 18.722 -4.040 102 HB2 ALA 13 HB2 ALA 13 6.598 19.795 -3.073 103 HB3 ALA 13 HB3 ALA 13 7.290 18.344 -2.346 104 H TRP 14 HN TRP 14 8.763 18.718 -0.430 105 HA TRP 14 HA TRP 14 7.594 20.584 1.303 106 HB2 TRP 14 HB2 TRP 14 7.746 18.325 2.011 107 HB3 TRP 14 HB1 TRP 14 9.481 18.272 1.741 108 HD1 TRP 14 HD1 TRP 14 7.309 20.616 3.975 109 HE1 TRP 14 HE1 TRP 14 8.335 20.612 6.338 110 HE3 TRP 14 HE3 TRP 14 11.121 17.314 3.181 111 HZ2 TRP 14 HZ2 TRP 14 10.486 19.358 7.684 112 HZ3 TRP 14 HZ3 TRP 14 12.615 16.762 5.052 113 HH2 TRP 14 HH2 TRP 14 12.306 17.758 7.257 114 H LEU 15 HN LEU 15 11.012 19.956 0.586 115 HA LEU 15 HA LEU 15 12.093 21.817 2.379 116 HB2 LEU 15 HB2 LEU 15 13.232 20.859 -0.246 117 HB3 LEU 15 HB1 LEU 15 14.132 21.684 1.011 118 HG LEU 15 HG LEU 15 12.899 18.936 1.168 119 HD11 LEU 15 HD11 LEU 15 15.214 18.219 1.475 120 HD12 LEU 15 HD12 LEU 15 15.757 19.885 1.278 121 HD13 LEU 15 HD13 LEU 15 14.987 19.044 -0.067 122 HD21 LEU 15 HD21 LEU 15 13.864 18.833 3.431 123 HD22 LEU 15 HD22 LEU 15 12.598 20.054 3.298 124 HD23 LEU 15 HD23 LEU 15 14.294 20.539 3.311 125 H ARG 16 HN ARG 16 11.272 22.165 -1.073 126 HA ARG 16 HA ARG 16 12.139 24.877 -1.163 127 HB2 ARG 16 HB2 ARG 16 11.360 24.952 -3.381 128 HB3 ARG 16 HB1 ARG 16 11.924 23.306 -3.152 129 HG2 ARG 16 HG2 ARG 16 9.565 22.622 -2.771 130 HG3 ARG 16 HG1 ARG 16 9.074 24.264 -3.190 131 HD2 ARG 16 HD2 ARG 16 10.429 22.225 -4.941 132 HD3 ARG 16 HD1 ARG 16 8.844 22.964 -5.161 133 HE ARG 16 HE ARG 16 11.106 24.785 -5.197 134 HH11 ARG 16 HH11 ARG 16 8.855 22.871 -7.092 135 HH12 ARG 16 HH12 ARG 16 9.159 23.749 -8.560 136 HH21 ARG 16 HH21 ARG 16 11.522 25.913 -7.114 137 HH22 ARG 16 HH22 ARG 16 10.663 25.489 -8.573 138 H ALA 17 HN ALA 17 9.087 23.305 -0.414 139 HA ALA 17 HA ALA 17 7.468 25.616 -0.400 140 HB1 ALA 17 HB1 ALA 17 6.530 23.354 -0.260 141 HB2 ALA 17 HB2 ALA 17 5.978 24.364 1.076 142 HB3 ALA 17 HB3 ALA 17 7.239 23.161 1.344 143 H GLY 18 HN GLY 18 9.667 24.196 1.943 144 HA2 GLY 18 HA2 GLY 18 9.170 26.013 4.056 145 HA3 GLY 18 HA1 GLY 18 10.644 25.088 3.822 146 H TYR 19 HN TYR 19 11.046 26.332 1.110 147 HA TYR 19 HA TYR 19 11.630 29.098 1.840 148 HB2 TYR 19 HB2 TYR 19 13.754 27.085 1.098 149 HB3 TYR 19 HB1 TYR 19 14.001 28.820 0.973 150 HD1 TYR 19 HD2 TYR 19 13.827 30.213 3.082 151 HD2 TYR 19 HD1 TYR 19 14.050 25.966 3.146 152 HE1 TYR 19 HE2 TYR 19 14.529 30.293 5.436 153 HE2 TYR 19 HE1 TYR 19 14.750 26.032 5.501 154 HH TYR 19 HH TYR 19 15.917 27.754 7.022 155 HA PRO 20 HA PRO 20 10.366 28.642 -2.601 156 HB2 PRO 20 HB2 PRO 20 8.556 30.655 -2.583 157 HB3 PRO 20 HB1 PRO 20 8.147 29.010 -2.083 158 HG2 PRO 20 HG2 PRO 20 8.801 31.396 -0.398 159 HG3 PRO 20 HG1 PRO 20 7.536 30.175 -0.168 160 HD2 PRO 20 HD2 PRO 20 9.894 30.141 1.188 161 HD3 PRO 20 HD1 PRO 20 8.988 28.669 0.785 162 H GLU 21 HN GLU 21 11.794 30.868 -0.588 163 HA GLU 21 HA GLU 21 12.432 32.787 -2.696 164 HB2 GLU 21 HB2 GLU 21 13.446 34.090 -0.822 165 HB3 GLU 21 HB1 GLU 21 11.733 33.761 -0.598 166 HG2 GLU 21 HG2 GLU 21 12.523 31.743 0.796 167 HG3 GLU 21 HG1 GLU 21 14.080 32.565 0.824 168 H GLY 22 HN GLY 22 13.488 29.894 -1.821 169 HA2 GLY 22 HA2 GLY 22 15.474 28.835 -2.457 170 HA3 GLY 22 HA1 GLY 22 16.236 30.412 -2.628 171 H ILE 23 HN ILE 23 16.901 27.837 -1.096 172 HA ILE 23 HA ILE 23 16.824 28.624 1.668 173 HB ILE 23 HB ILE 23 18.536 26.469 0.418 174 HG12 ILE 23 HG12 ILE 23 15.784 26.225 1.653 175 HG13 ILE 23 HG11 ILE 23 16.125 26.150 -0.074 176 HG21 ILE 23 HG21 ILE 23 19.273 27.086 2.641 177 HG22 ILE 23 HG22 ILE 23 18.497 25.504 2.697 178 HG23 ILE 23 HG23 ILE 23 17.631 26.931 3.268 179 HD11 ILE 23 HD11 ILE 23 15.840 23.931 0.814 180 HD12 ILE 23 HD12 ILE 23 17.086 24.224 2.027 181 HD13 ILE 23 HD13 ILE 23 17.518 24.163 0.317 182 HA PRO 24 HA PRO 24 20.482 31.222 1.378 183 HB2 PRO 24 HB2 PRO 24 20.375 31.403 4.246 184 HB3 PRO 24 HB1 PRO 24 20.037 32.655 3.055 185 HG2 PRO 24 HG2 PRO 24 18.183 31.298 4.698 186 HG3 PRO 24 HG1 PRO 24 17.825 32.436 3.389 187 HD2 PRO 24 HD2 PRO 24 17.487 29.565 3.467 188 HD3 PRO 24 HD1 PRO 24 16.947 30.718 2.236 189 HA PRO 25 HA PRO 25 23.597 28.300 2.029 190 HB2 PRO 25 HB2 PRO 25 25.651 29.843 3.049 191 HB3 PRO 25 HB1 PRO 25 25.224 29.727 1.340 192 HG2 PRO 25 HG2 PRO 25 24.478 31.817 3.343 193 HG3 PRO 25 HG1 PRO 25 24.954 32.010 1.645 194 HD2 PRO 25 HD2 PRO 25 22.390 32.165 2.394 195 HD3 PRO 25 HD1 PRO 25 22.856 31.397 0.860 196 H THR 26 HN THR 26 22.916 30.322 4.824 197 HA THR 26 HA THR 26 24.441 28.834 6.679 198 HB THR 26 HB THR 26 21.975 30.471 7.281 199 HG1 THR 26 HG1 THR 26 23.207 32.248 7.112 200 HG21 THR 26 HG21 THR 26 22.806 29.148 9.163 201 HG22 THR 26 HG22 THR 26 23.102 30.866 9.431 202 HG23 THR 26 HG23 THR 26 24.423 29.811 8.928 203 H ASP 27 HN ASP 27 20.931 28.842 6.010 204 HA ASP 27 HA ASP 27 20.497 26.741 7.932 205 HB2 ASP 27 HB2 ASP 27 18.092 26.886 6.958 206 HB3 ASP 27 HB1 ASP 27 18.708 28.205 7.924 207 H SER 28 HN SER 28 21.561 26.693 4.816 208 HA SER 28 HA SER 28 20.265 24.439 3.742 209 HB2 SER 28 HB2 SER 28 23.150 25.293 3.384 210 HB3 SER 28 HB1 SER 28 22.256 24.201 2.329 211 HG SER 28 HG SER 28 21.161 26.732 2.808 212 H PHE 29 HN PHE 29 22.912 24.823 6.011 213 HA PHE 29 HA PHE 29 23.570 22.028 6.060 214 HB2 PHE 29 HB2 PHE 29 24.394 24.207 7.993 215 HB3 PHE 29 HB1 PHE 29 25.141 22.622 7.823 216 HD1 PHE 29 HD2 PHE 29 25.003 22.598 4.741 217 HD2 PHE 29 HD1 PHE 29 26.371 25.477 7.557 218 HE1 PHE 29 HE2 PHE 29 26.525 23.525 3.048 219 HE2 PHE 29 HE1 PHE 29 27.890 26.416 5.867 220 HZ PHE 29 HZ PHE 29 27.970 25.437 3.609 221 H ALA 30 HN ALA 30 21.482 24.181 7.837 222 HA ALA 30 HA ALA 30 20.866 22.423 9.971 223 HB1 ALA 30 HB1 ALA 30 18.882 23.812 10.282 224 HB2 ALA 30 HB2 ALA 30 19.166 24.578 8.720 225 HB3 ALA 30 HB3 ALA 30 20.320 24.804 10.035 226 H VAL 31 HN VAL 31 19.354 23.015 6.804 227 HA VAL 31 HA VAL 31 17.370 21.061 6.877 228 HB VAL 31 HB VAL 31 19.063 21.860 4.493 229 HG11 VAL 31 HG11 VAL 31 17.883 19.740 4.143 230 HG12 VAL 31 HG12 VAL 31 17.231 21.024 3.125 231 HG13 VAL 31 HG13 VAL 31 16.361 20.520 4.574 232 HG21 VAL 31 HG21 VAL 31 17.940 23.773 5.478 233 HG22 VAL 31 HG22 VAL 31 16.404 22.907 5.459 234 HG23 VAL 31 HG23 VAL 31 17.185 23.350 3.942 235 H LEU 32 HN LEU 32 20.757 20.817 5.852 236 HA LEU 32 HA LEU 32 20.959 18.117 5.334 237 HB2 LEU 32 HB2 LEU 32 22.861 19.382 4.903 238 HB3 LEU 32 HB1 LEU 32 22.835 20.142 6.482 239 HG LEU 32 HG LEU 32 23.515 17.940 7.467 240 HD11 LEU 32 HD11 LEU 32 24.504 16.276 5.975 241 HD12 LEU 32 HD12 LEU 32 23.952 17.204 4.579 242 HD13 LEU 32 HD13 LEU 32 22.777 16.478 5.677 243 HD21 LEU 32 HD21 LEU 32 25.857 18.167 6.804 244 HD22 LEU 32 HD22 LEU 32 25.107 19.737 7.100 245 HD23 LEU 32 HD23 LEU 32 25.372 19.182 5.446 246 H ALA 33 HN ALA 33 21.259 19.732 8.494 247 HA ALA 33 HA ALA 33 21.891 17.478 10.009 248 HB1 ALA 33 HB1 ALA 33 20.382 19.939 10.882 249 HB2 ALA 33 HB2 ALA 33 22.135 19.749 10.852 250 HB3 ALA 33 HB3 ALA 33 21.162 18.772 11.949 251 H LEU 34 HN LEU 34 18.704 18.914 9.325 252 HA LEU 34 HA LEU 34 17.278 16.996 10.866 253 HB2 LEU 34 HB2 LEU 34 16.524 19.061 8.857 254 HB3 LEU 34 HB1 LEU 34 15.349 17.827 9.257 255 HG LEU 34 HG LEU 34 14.930 19.778 10.599 256 HD11 LEU 34 HD11 LEU 34 15.048 18.813 12.832 257 HD12 LEU 34 HD12 LEU 34 16.203 17.610 12.260 258 HD13 LEU 34 HD13 LEU 34 14.551 17.607 11.646 259 HD21 LEU 34 HD21 LEU 34 16.588 20.610 12.205 260 HD22 LEU 34 HD22 LEU 34 17.124 20.797 10.536 261 HD23 LEU 34 HD23 LEU 34 17.781 19.499 11.534 262 H LEU 35 HN LEU 35 18.017 17.215 7.405 263 HA LEU 35 HA LEU 35 16.479 14.943 6.688 264 HB2 LEU 35 HB2 LEU 35 18.767 16.314 5.292 265 HB3 LEU 35 HB1 LEU 35 17.874 14.980 4.594 266 HG LEU 35 HG LEU 35 16.772 17.699 5.299 267 HD11 LEU 35 HD11 LEU 35 17.192 16.322 2.650 268 HD12 LEU 35 HD12 LEU 35 18.138 17.669 3.284 269 HD13 LEU 35 HD13 LEU 35 16.435 17.898 2.888 270 HD21 LEU 35 HD21 LEU 35 15.119 15.959 5.741 271 HD22 LEU 35 HD22 LEU 35 15.374 15.297 4.125 272 HD23 LEU 35 HD23 LEU 35 14.678 16.906 4.319 273 H CYS 36 HN CYS 36 19.774 15.349 7.807 274 HA CYS 36 HA CYS 36 20.729 12.800 7.041 275 HB2 CYS 36 HB2 CYS 36 22.219 14.665 7.644 276 HB3 CYS 36 HB1 CYS 36 21.668 14.564 9.311 277 HG CYS 36 HG CYS 36 22.576 11.661 9.115 278 H ARG 37 HN ARG 37 18.576 13.730 9.540 279 HA ARG 37 HA ARG 37 19.073 11.265 11.024 280 HB2 ARG 37 HB2 ARG 37 17.137 13.517 11.583 281 HB3 ARG 37 HB1 ARG 37 17.374 12.110 12.611 282 HG2 ARG 37 HG2 ARG 37 19.866 12.886 12.609 283 HG3 ARG 37 HG1 ARG 37 19.172 14.440 12.140 284 HD2 ARG 37 HD2 ARG 37 19.388 14.390 14.531 285 HD3 ARG 37 HD1 ARG 37 17.674 14.300 14.121 286 HE ARG 37 HE ARG 37 18.751 11.694 14.404 287 HH11 ARG 37 HH11 ARG 37 17.749 14.454 16.325 288 HH12 ARG 37 HH12 ARG 37 17.415 13.498 17.736 289 HH21 ARG 37 HH21 ARG 37 18.313 10.456 16.251 290 HH22 ARG 37 HH22 ARG 37 17.733 11.236 17.696 291 H ARG 38 HN ARG 38 17.443 12.118 8.343 292 HA ARG 38 HA ARG 38 15.349 10.097 8.801 293 HB2 ARG 38 HB2 ARG 38 14.379 12.274 8.296 294 HB3 ARG 38 HB1 ARG 38 15.380 12.418 6.860 295 HG2 ARG 38 HG2 ARG 38 13.204 11.827 6.142 296 HG3 ARG 38 HG1 ARG 38 14.216 10.398 5.946 297 HD2 ARG 38 HD2 ARG 38 12.308 10.922 8.226 298 HD3 ARG 38 HD1 ARG 38 12.025 9.838 6.868 299 HE ARG 38 HE ARG 38 14.179 8.710 7.802 300 HH11 ARG 38 HH11 ARG 38 11.505 10.034 9.642 301 HH12 ARG 38 HH12 ARG 38 11.757 8.997 11.015 302 HH21 ARG 38 HH21 ARG 38 14.534 7.366 9.614 303 HH22 ARG 38 HH22 ARG 38 13.518 7.511 11.018 304 H LEU 39 HN LEU 39 17.689 11.371 6.498 305 HA LEU 39 HA LEU 39 17.837 8.726 5.231 306 HB2 LEU 39 HB2 LEU 39 17.807 11.416 3.851 307 HB3 LEU 39 HB1 LEU 39 18.186 9.899 3.057 308 HG LEU 39 HG LEU 39 15.528 10.469 4.383 309 HD11 LEU 39 HD11 LEU 39 15.892 12.007 2.519 310 HD12 LEU 39 HD12 LEU 39 14.659 10.807 2.128 311 HD13 LEU 39 HD13 LEU 39 16.286 10.647 1.467 312 HD21 LEU 39 HD21 LEU 39 14.783 8.534 3.091 313 HD22 LEU 39 HD22 LEU 39 16.096 8.104 4.187 314 HD23 LEU 39 HD23 LEU 39 16.417 8.316 2.466 315 H SER 40 HN SER 40 19.952 8.551 3.934 316 HA SER 40 HA SER 40 22.035 9.500 5.741 317 HB2 SER 40 HB2 SER 40 21.814 7.065 5.171 318 HB3 SER 40 HB1 SER 40 22.295 7.465 3.523 319 HG SER 40 HG SER 40 23.858 6.993 5.603 320 H HIS 41 HN HIS 41 24.265 9.614 4.420 321 HA HIS 41 HA HIS 41 24.230 12.217 3.456 322 HB2 HIS 41 HB2 HIS 41 26.622 11.683 2.679 323 HB3 HIS 41 HB1 HIS 41 26.251 11.574 4.393 324 HD1 HIS 41 HD1 HIS 41 27.309 9.624 5.429 325 HD2 HIS 41 HD2 HIS 41 26.269 8.868 1.473 326 HE1 HIS 41 HE1 HIS 41 28.022 7.253 4.978 327 HE2 HIS 41 HE2 HIS 41 27.175 6.753 2.658 328 H ASP 42 HN ASP 42 24.048 9.228 1.560 329 HA ASP 42 HA ASP 42 24.695 10.617 -0.881 330 HB2 ASP 42 HB2 ASP 42 25.137 8.179 -0.561 331 HB3 ASP 42 HB1 ASP 42 23.400 7.901 -0.586 332 H GLU 43 HN GLU 43 21.773 9.644 0.809 333 HA GLU 43 HA GLU 43 19.948 10.389 -1.211 334 HB2 GLU 43 HB2 GLU 43 19.540 10.351 1.783 335 HB3 GLU 43 HB1 GLU 43 18.261 10.464 0.585 336 HG2 GLU 43 HG2 GLU 43 18.160 8.248 1.019 337 HG3 GLU 43 HG1 GLU 43 19.356 8.220 -0.276 338 H VAL 44 HN VAL 44 21.256 12.172 1.586 339 HA VAL 44 HA VAL 44 19.849 14.565 0.975 340 HB VAL 44 HB VAL 44 21.319 15.710 2.537 341 HG11 VAL 44 HG11 VAL 44 20.859 14.369 4.538 342 HG12 VAL 44 HG12 VAL 44 20.496 12.979 3.514 343 HG13 VAL 44 HG13 VAL 44 19.477 14.417 3.442 344 HG21 VAL 44 HG21 VAL 44 23.446 14.702 1.962 345 HG22 VAL 44 HG22 VAL 44 22.905 13.149 2.599 346 HG23 VAL 44 HG23 VAL 44 23.132 14.518 3.688 347 H LYS 45 HN LYS 45 22.957 13.273 0.003 348 HA LYS 45 HA LYS 45 23.939 15.496 -1.391 349 HB2 LYS 45 HB2 LYS 45 25.442 13.728 -1.021 350 HB3 LYS 45 HB1 LYS 45 24.318 12.523 -1.621 351 HG2 LYS 45 HG2 LYS 45 25.400 14.553 -3.514 352 HG3 LYS 45 HG1 LYS 45 26.427 13.215 -2.997 353 HD2 LYS 45 HD2 LYS 45 24.318 11.774 -3.619 354 HD3 LYS 45 HD1 LYS 45 23.916 13.174 -4.611 355 HE2 LYS 45 HE2 LYS 45 25.126 11.593 -5.954 356 HE3 LYS 45 HE1 LYS 45 26.151 13.000 -5.672 357 HZ1 LYS 45 HZ1 LYS 45 26.305 10.522 -4.048 358 HZ2 LYS 45 HZ2 LYS 45 27.398 11.820 -4.055 359 HZ3 LYS 45 HZ3 LYS 45 27.277 10.802 -5.406 360 H ALA 46 HN ALA 46 21.726 12.913 -2.363 361 HA ALA 46 HA ALA 46 21.466 13.735 -5.062 362 HB1 ALA 46 HB1 ALA 46 19.557 12.230 -5.144 363 HB2 ALA 46 HB2 ALA 46 19.551 12.122 -3.383 364 HB3 ALA 46 HB3 ALA 46 20.913 11.477 -4.302 365 H VAL 47 HN VAL 47 19.441 14.337 -2.185 366 HA VAL 47 HA VAL 47 17.462 15.802 -3.592 367 HB VAL 47 HB VAL 47 17.063 14.746 -1.384 368 HG11 VAL 47 HG11 VAL 47 18.686 17.041 -0.303 369 HG12 VAL 47 HG12 VAL 47 19.115 15.331 -0.245 370 HG13 VAL 47 HG13 VAL 47 17.722 15.921 0.661 371 HG21 VAL 47 HG21 VAL 47 15.668 16.547 -0.471 372 HG22 VAL 47 HG22 VAL 47 15.511 16.399 -2.221 373 HG23 VAL 47 HG23 VAL 47 16.483 17.698 -1.529 374 H ALA 48 HN ALA 48 20.459 16.773 -2.004 375 HA ALA 48 HA ALA 48 20.024 19.567 -2.187 376 HB1 ALA 48 HB1 ALA 48 21.756 18.601 -0.749 377 HB2 ALA 48 HB2 ALA 48 22.435 19.784 -1.867 378 HB3 ALA 48 HB3 ALA 48 22.640 18.059 -2.177 379 H ASN 49 HN ASN 49 21.641 17.238 -4.310 380 HA ASN 49 HA ASN 49 22.438 19.000 -6.335 381 HB2 ASN 49 HB2 ASN 49 23.247 16.701 -6.212 382 HB3 ASN 49 HB1 ASN 49 21.628 16.086 -6.515 383 HD21 ASN 49 HD21 ASN 49 23.063 18.844 -8.164 384 HD22 ASN 49 HD22 ASN 49 23.164 18.089 -9.721 385 H GLU 50 HN GLU 50 19.428 17.172 -5.922 386 HA GLU 50 HA GLU 50 18.202 17.954 -8.333 387 HB2 GLU 50 HB2 GLU 50 17.349 16.083 -7.068 388 HB3 GLU 50 HB1 GLU 50 17.019 17.116 -5.683 389 HG2 GLU 50 HG2 GLU 50 14.954 16.684 -6.769 390 HG3 GLU 50 HG1 GLU 50 15.385 18.358 -7.088 391 H LEU 51 HN LEU 51 17.968 19.255 -5.056 392 HA LEU 51 HA LEU 51 16.023 21.183 -5.675 393 HB2 LEU 51 HB2 LEU 51 16.526 20.271 -3.426 394 HB3 LEU 51 HB1 LEU 51 18.029 21.173 -3.423 395 HG LEU 51 HG LEU 51 16.864 23.279 -3.375 396 HD11 LEU 51 HD11 LEU 51 14.317 21.673 -3.555 397 HD12 LEU 51 HD12 LEU 51 14.984 22.706 -4.820 398 HD13 LEU 51 HD13 LEU 51 14.427 23.415 -3.305 399 HD21 LEU 51 HD21 LEU 51 15.717 23.098 -1.231 400 HD22 LEU 51 HD22 LEU 51 17.201 22.146 -1.240 401 HD23 LEU 51 HD23 LEU 51 15.639 21.347 -1.412 402 H MET 52 HN MET 52 19.556 21.279 -5.671 403 HA MET 52 HA MET 52 19.854 24.043 -6.196 404 HB2 MET 52 HB2 MET 52 21.580 21.645 -6.746 405 HB3 MET 52 HB1 MET 52 22.038 23.236 -7.335 406 HG2 MET 52 HG2 MET 52 21.981 24.072 -5.018 407 HG3 MET 52 HG1 MET 52 21.616 22.438 -4.465 408 HE1 MET 52 HE1 MET 52 23.778 22.884 -2.827 409 HE2 MET 52 HE2 MET 52 24.117 24.418 -3.630 410 HE3 MET 52 HE3 MET 52 25.393 23.211 -3.454 411 H ARG 53 HN ARG 53 19.242 21.270 -8.231 412 HA ARG 53 HA ARG 53 19.754 22.454 -10.740 413 HB2 ARG 53 HB2 ARG 53 19.466 19.978 -10.111 414 HB3 ARG 53 HB1 ARG 53 17.740 20.274 -10.231 415 HG2 ARG 53 HG2 ARG 53 18.068 20.982 -12.577 416 HG3 ARG 53 HG1 ARG 53 19.773 20.543 -12.432 417 HD2 ARG 53 HD2 ARG 53 18.919 18.252 -11.668 418 HD3 ARG 53 HD1 ARG 53 17.359 18.764 -12.308 419 HE ARG 53 HE ARG 53 19.725 18.813 -14.040 420 HH11 ARG 53 HH11 ARG 53 16.544 17.575 -13.268 421 HH12 ARG 53 HH12 ARG 53 16.388 16.685 -14.754 422 HH21 ARG 53 HH21 ARG 53 19.540 17.630 -15.989 423 HH22 ARG 53 HH22 ARG 53 18.101 16.696 -16.291 424 H LEU 54 HN LEU 54 17.002 22.507 -8.608 425 HA LEU 54 HA LEU 54 15.192 23.578 -10.588 426 HB2 LEU 54 HB2 LEU 54 14.891 23.307 -7.597 427 HB3 LEU 54 HB1 LEU 54 13.616 23.782 -8.702 428 HG LEU 54 HG LEU 54 14.991 21.096 -8.617 429 HD11 LEU 54 HD11 LEU 54 12.185 21.938 -7.914 430 HD12 LEU 54 HD12 LEU 54 13.442 21.442 -6.781 431 HD13 LEU 54 HD13 LEU 54 12.787 20.281 -7.935 432 HD21 LEU 54 HD21 LEU 54 14.416 21.716 -10.906 433 HD22 LEU 54 HD22 LEU 54 12.763 22.071 -10.402 434 HD23 LEU 54 HD23 LEU 54 13.376 20.420 -10.318 435 H GLY 55 HN GLY 55 17.568 24.835 -8.511 436 HA2 GLY 55 HA2 GLY 55 18.365 27.025 -8.587 437 HA3 GLY 55 HA1 GLY 55 16.888 27.512 -9.398 438 H ASP 56 HN ASP 56 16.516 25.680 -6.496 439 HA ASP 56 HA ASP 56 15.842 28.173 -5.071 440 HB2 ASP 56 HB2 ASP 56 14.626 25.423 -4.904 441 HB3 ASP 56 HB1 ASP 56 14.407 26.607 -3.619 442 H PHE 57 HN PHE 57 18.379 26.549 -5.307 443 HA PHE 57 HA PHE 57 18.955 26.463 -2.426 444 HB2 PHE 57 HB2 PHE 57 18.714 24.182 -3.774 445 HB3 PHE 57 HB1 PHE 57 20.339 24.583 -4.303 446 HD1 PHE 57 HD1 PHE 57 21.465 25.752 -1.808 447 HD2 PHE 57 HD2 PHE 57 18.986 22.353 -2.428 448 HE1 PHE 57 HE1 PHE 57 22.368 24.726 0.233 449 HE2 PHE 57 HE2 PHE 57 19.876 21.325 -0.385 450 HZ PHE 57 HZ PHE 57 21.571 22.509 0.951 451 H ASP 58 HN ASP 58 20.789 27.593 -1.902 452 HA ASP 58 HA ASP 58 22.011 29.183 -3.932 453 HB2 ASP 58 HB2 ASP 58 21.678 29.821 -1.469 454 HB3 ASP 58 HB1 ASP 58 23.093 28.824 -1.137 455 H GLN 59 HN GLN 59 24.117 29.100 -4.716 456 HA GLN 59 HA GLN 59 25.108 26.406 -4.974 457 HB2 GLN 59 HB2 GLN 59 26.150 28.966 -6.202 458 HB3 GLN 59 HB1 GLN 59 26.578 27.327 -6.686 459 HG2 GLN 59 HG2 GLN 59 24.357 26.904 -7.457 460 HG3 GLN 59 HG1 GLN 59 23.783 28.432 -6.798 461 HE21 GLN 59 HE21 GLN 59 23.036 29.207 -8.706 462 HE22 GLN 59 HE22 GLN 59 24.074 29.690 -10.012 463 H ILE 60 HN ILE 60 25.829 26.032 -2.873 464 HA ILE 60 HA ILE 60 28.351 27.381 -2.156 465 HB ILE 60 HB ILE 60 27.780 26.786 0.222 466 HG12 ILE 60 HG12 ILE 60 25.052 26.274 -0.991 467 HG13 ILE 60 HG11 ILE 60 26.104 25.057 -0.278 468 HG21 ILE 60 HG21 ILE 60 26.245 28.677 0.531 469 HG22 ILE 60 HG22 ILE 60 25.917 28.684 -1.203 470 HG23 ILE 60 HG23 ILE 60 27.537 29.056 -0.610 471 HD11 ILE 60 HD11 ILE 60 24.295 25.701 1.217 472 HD12 ILE 60 HD12 ILE 60 24.861 27.372 1.188 473 HD13 ILE 60 HD13 ILE 60 25.872 26.110 1.894 474 H ASP 61 HN ASP 61 29.491 25.884 -0.397 475 HA ASP 61 HA ASP 61 30.026 23.402 -1.755 476 HB2 ASP 61 HB2 ASP 61 31.172 24.596 0.775 477 HB3 ASP 61 HB1 ASP 61 31.689 23.052 0.101 478 H ILE 62 HN ILE 62 28.112 22.282 -1.572 479 HA ILE 62 HA ILE 62 27.080 21.625 1.048 480 HB ILE 62 HB ILE 62 26.222 20.965 -1.754 481 HG12 ILE 62 HG12 ILE 62 25.572 23.134 -0.864 482 HG13 ILE 62 HG11 ILE 62 24.155 22.103 -1.020 483 HG21 ILE 62 HG21 ILE 62 24.374 19.638 -0.883 484 HG22 ILE 62 HG22 ILE 62 25.015 19.801 0.752 485 HG23 ILE 62 HG23 ILE 62 25.924 18.909 -0.466 486 HD11 ILE 62 HD11 ILE 62 25.650 22.643 1.537 487 HD12 ILE 62 HD12 ILE 62 24.201 21.653 1.369 488 HD13 ILE 62 HD13 ILE 62 24.126 23.387 1.054 489 H GLY 63 HN GLY 63 28.822 20.047 -1.584 490 HA2 GLY 63 HA2 GLY 63 28.702 17.408 -0.650 491 HA3 GLY 63 HA1 GLY 63 29.965 18.061 -1.683 492 H VAL 64 HN VAL 64 30.697 20.072 0.360 493 HA VAL 64 HA VAL 64 32.657 18.523 1.729 494 HB VAL 64 HB VAL 64 31.891 21.416 2.160 495 HG11 VAL 64 HG11 VAL 64 34.134 21.650 3.112 496 HG12 VAL 64 HG12 VAL 64 34.400 19.918 2.907 497 HG13 VAL 64 HG13 VAL 64 33.163 20.493 4.025 498 HG21 VAL 64 HG21 VAL 64 32.540 21.001 -0.149 499 HG22 VAL 64 HG22 VAL 64 34.021 20.213 0.395 500 HG23 VAL 64 HG23 VAL 64 33.778 21.937 0.688 501 H VAL 65 HN VAL 65 29.847 20.416 2.859 502 HA VAL 65 HA VAL 65 30.405 19.790 5.595 503 HB VAL 65 HB VAL 65 27.937 21.080 4.425 504 HG11 VAL 65 HG11 VAL 65 29.015 21.059 7.244 505 HG12 VAL 65 HG12 VAL 65 27.553 20.250 6.676 506 HG13 VAL 65 HG13 VAL 65 27.640 22.013 6.682 507 HG21 VAL 65 HG21 VAL 65 29.943 22.318 3.830 508 HG22 VAL 65 HG22 VAL 65 30.461 22.321 5.517 509 HG23 VAL 65 HG23 VAL 65 29.009 23.203 5.039 510 H ILE 66 HN ILE 66 28.180 18.501 3.173 511 HA ILE 66 HA ILE 66 26.504 17.172 5.054 512 HB ILE 66 HB ILE 66 25.549 15.952 3.190 513 HG12 ILE 66 HG12 ILE 66 27.664 17.228 1.441 514 HG13 ILE 66 HG11 ILE 66 27.727 15.557 1.994 515 HG21 ILE 66 HG21 ILE 66 24.803 17.862 1.842 516 HG22 ILE 66 HG22 ILE 66 26.098 18.839 2.533 517 HG23 ILE 66 HG23 ILE 66 24.809 18.225 3.568 518 HD11 ILE 66 HD11 ILE 66 25.588 16.766 0.259 519 HD12 ILE 66 HD12 ILE 66 25.641 15.093 0.817 520 HD13 ILE 66 HD13 ILE 66 26.888 15.699 -0.273 521 H THR 67 HN THR 67 29.490 16.309 3.492 522 HA THR 67 HA THR 67 29.241 13.569 4.493 523 HB THR 67 HB THR 67 31.268 13.105 3.143 524 HG1 THR 67 HG1 THR 67 31.065 15.524 1.771 525 HG21 THR 67 HG21 THR 67 29.057 12.768 2.146 526 HG22 THR 67 HG22 THR 67 30.203 13.330 0.932 527 HG23 THR 67 HG23 THR 67 29.024 14.449 1.615 528 H HIS 68 HN HIS 68 30.828 16.569 5.041 529 HA HIS 68 HA HIS 68 32.328 15.367 7.262 530 HB2 HIS 68 HB2 HIS 68 33.349 17.602 5.486 531 HB3 HIS 68 HB1 HIS 68 34.192 16.897 6.860 532 HD1 HIS 68 HD1 HIS 68 33.974 16.675 3.277 533 HD2 HIS 68 HD2 HIS 68 34.792 14.014 6.364 534 HE1 HIS 68 HE1 HIS 68 35.116 14.717 2.194 535 HE2 HIS 68 HE2 HIS 68 35.766 13.207 4.104 536 H PHE 69 HN PHE 69 30.608 16.002 8.603 537 HA PHE 69 HA PHE 69 29.482 18.544 8.750 538 HB2 PHE 69 HB2 PHE 69 29.868 16.505 10.948 539 HB3 PHE 69 HB1 PHE 69 28.824 17.917 11.063 540 HD1 PHE 69 HD2 PHE 69 26.760 18.043 9.803 541 HD2 PHE 69 HD1 PHE 69 29.240 14.589 9.632 542 HE1 PHE 69 HE2 PHE 69 24.906 16.768 8.814 543 HE2 PHE 69 HE1 PHE 69 27.391 13.305 8.640 544 HZ PHE 69 HZ PHE 69 25.219 14.394 8.229 545 H THR 70 HN THR 70 30.057 20.411 9.670 546 HA THR 70 HA THR 70 32.845 20.689 10.406 547 HB THR 70 HB THR 70 30.795 22.898 10.260 548 HG1 THR 70 HG1 THR 70 31.701 21.260 8.264 549 HG21 THR 70 HG21 THR 70 33.769 22.825 9.717 550 HG22 THR 70 HG22 THR 70 32.997 23.501 11.152 551 HG23 THR 70 HG23 THR 70 32.733 24.243 9.573 552 H ASP 71 HN ASP 71 33.453 22.014 12.290 553 HA ASP 71 HA ASP 71 32.484 20.950 14.677 554 HB2 ASP 71 HB2 ASP 71 34.022 23.526 14.279 555 HB3 ASP 71 HB1 ASP 71 33.867 22.648 15.796 556 H GLU 72 HN GLU 72 31.684 23.956 13.038 557 HA GLU 72 HA GLU 72 29.753 24.572 15.175 558 HB2 GLU 72 HB2 GLU 72 31.204 26.459 13.313 559 HB3 GLU 72 HB1 GLU 72 30.025 26.936 14.528 560 HG2 GLU 72 HG2 GLU 72 31.446 26.365 16.299 561 HG3 GLU 72 HG1 GLU 72 32.512 25.430 15.250 562 H LEU 73 HN LEU 73 29.870 23.331 12.182 563 HA LEU 73 HA LEU 73 27.315 24.555 11.392 564 HB2 LEU 73 HB2 LEU 73 29.602 23.805 9.567 565 HB3 LEU 73 HB1 LEU 73 28.011 24.297 9.021 566 HG LEU 73 HG LEU 73 29.913 26.031 10.602 567 HD11 LEU 73 HD11 LEU 73 30.726 25.589 8.342 568 HD12 LEU 73 HD12 LEU 73 30.203 27.264 8.520 569 HD13 LEU 73 HD13 LEU 73 29.174 26.103 7.679 570 HD21 LEU 73 HD21 LEU 73 27.276 26.666 9.282 571 HD22 LEU 73 HD22 LEU 73 28.352 27.834 10.048 572 HD23 LEU 73 HD23 LEU 73 27.577 26.582 11.018 573 HA PRO 74 HA PRO 74 25.566 24.247 10.792 574 HB2 PRO 74 HB2 PRO 74 23.218 23.166 11.470 575 HB3 PRO 74 HB1 PRO 74 23.894 22.950 9.850 576 HG2 PRO 74 HG2 PRO 74 23.880 21.053 12.163 577 HG3 PRO 74 HG1 PRO 74 23.604 20.727 10.442 578 HD2 PRO 74 HD2 PRO 74 25.997 20.312 11.759 579 HD3 PRO 74 HD1 PRO 74 25.830 20.534 10.008 580 H SER 75 HN SER 75 24.523 25.509 12.422 581 HA SER 75 HA SER 75 25.455 24.909 15.109 582 HB2 SER 75 HB2 SER 75 24.011 27.363 14.069 583 HB3 SER 75 HB1 SER 75 24.833 27.212 15.622 584 HG SER 75 HG SER 75 26.591 26.536 13.774 585 HA PRO 76 HA PRO 76 21.721 23.231 16.745 586 HB2 PRO 76 HB2 PRO 76 21.665 24.771 19.112 587 HB3 PRO 76 HB1 PRO 76 22.349 23.159 18.904 588 HG2 PRO 76 HG2 PRO 76 23.694 25.796 18.944 589 HG3 PRO 76 HG1 PRO 76 24.318 24.205 19.408 590 HD2 PRO 76 HD2 PRO 76 25.061 25.446 17.131 591 HD3 PRO 76 HD1 PRO 76 24.931 23.679 17.250 592 H GLU 77 HN GLU 77 21.962 26.779 17.309 593 HA GLU 77 HA GLU 77 19.206 27.267 17.406 594 HB2 GLU 77 HB2 GLU 77 21.299 29.159 16.317 595 HB3 GLU 77 HB1 GLU 77 19.699 29.597 16.889 596 HG2 GLU 77 HG2 GLU 77 20.954 30.170 18.693 597 HG3 GLU 77 HG1 GLU 77 20.543 28.509 19.118 598 H ASP 78 HN ASP 78 21.405 27.070 14.677 599 HA ASP 78 HA ASP 78 19.629 28.038 12.701 600 HB2 ASP 78 HB2 ASP 78 22.124 27.854 12.477 601 HB3 ASP 78 HB1 ASP 78 21.933 26.112 12.326 602 H VAL 79 HN VAL 79 20.422 24.809 13.867 603 HA VAL 79 HA VAL 79 18.769 23.305 12.181 604 HB VAL 79 HB VAL 79 19.586 22.781 15.048 605 HG11 VAL 79 HG11 VAL 79 18.446 20.871 13.012 606 HG12 VAL 79 HG12 VAL 79 17.636 21.439 14.471 607 HG13 VAL 79 HG13 VAL 79 19.077 20.429 14.598 608 HG21 VAL 79 HG21 VAL 79 21.294 21.341 14.044 609 HG22 VAL 79 HG22 VAL 79 21.466 23.015 13.517 610 HG23 VAL 79 HG23 VAL 79 20.751 21.819 12.436 611 H GLU 80 HN GLU 80 18.103 24.823 15.321 612 HA GLU 80 HA GLU 80 15.432 23.927 15.556 613 HB2 GLU 80 HB2 GLU 80 16.839 24.865 17.400 614 HB3 GLU 80 HB1 GLU 80 16.642 26.457 16.684 615 HG2 GLU 80 HG2 GLU 80 14.283 26.412 17.088 616 HG3 GLU 80 HG1 GLU 80 14.370 24.738 17.642 617 H ARG 81 HN ARG 81 16.869 26.842 14.202 618 HA ARG 81 HA ARG 81 14.647 28.270 13.407 619 HB2 ARG 81 HB2 ARG 81 16.655 29.355 13.108 620 HB3 ARG 81 HB1 ARG 81 17.425 27.957 12.377 621 HG2 ARG 81 HG2 ARG 81 17.174 29.664 10.744 622 HG3 ARG 81 HG1 ARG 81 16.098 28.336 10.335 623 HD2 ARG 81 HD2 ARG 81 14.220 29.590 11.293 624 HD3 ARG 81 HD1 ARG 81 15.313 30.924 11.671 625 HE ARG 81 HE ARG 81 15.666 30.484 8.993 626 HH11 ARG 81 HH11 ARG 81 12.933 31.287 11.044 627 HH12 ARG 81 HH12 ARG 81 12.065 32.085 9.770 628 HH21 ARG 81 HH21 ARG 81 14.529 31.524 7.336 629 HH22 ARG 81 HH22 ARG 81 12.961 32.213 7.656 630 H VAL 82 HN VAL 82 16.408 25.855 11.428 631 HA VAL 82 HA VAL 82 14.565 26.010 9.295 632 HB VAL 82 HB VAL 82 16.968 25.096 9.247 633 HG11 VAL 82 HG11 VAL 82 16.734 23.385 10.959 634 HG12 VAL 82 HG12 VAL 82 17.182 22.666 9.412 635 HG13 VAL 82 HG13 VAL 82 15.518 22.558 9.985 636 HG21 VAL 82 HG21 VAL 82 14.762 23.671 7.775 637 HG22 VAL 82 HG22 VAL 82 16.463 23.686 7.308 638 HG23 VAL 82 HG23 VAL 82 15.533 25.184 7.301 639 H ARG 83 HN ARG 83 14.707 23.962 12.168 640 HA ARG 83 HA ARG 83 12.734 22.112 11.416 641 HB2 ARG 83 HB2 ARG 83 14.103 21.794 13.421 642 HB3 ARG 83 HB1 ARG 83 13.359 23.201 14.172 643 HG2 ARG 83 HG2 ARG 83 11.168 22.030 14.065 644 HG3 ARG 83 HG1 ARG 83 12.011 20.601 13.466 645 HD2 ARG 83 HD2 ARG 83 13.331 20.509 15.515 646 HD3 ARG 83 HD1 ARG 83 12.524 21.959 16.110 647 HE ARG 83 HE ARG 83 10.761 19.758 15.446 648 HH11 ARG 83 HH11 ARG 83 12.597 21.372 17.947 649 HH12 ARG 83 HH12 ARG 83 11.694 20.666 19.251 650 HH21 ARG 83 HH21 ARG 83 9.559 18.840 17.140 651 HH22 ARG 83 HH22 ARG 83 9.936 19.236 18.792 652 H ALA 84 HN ALA 84 12.407 25.148 13.256 653 HA ALA 84 HA ALA 84 9.619 25.081 13.518 654 HB1 ALA 84 HB1 ALA 84 11.052 26.549 14.843 655 HB2 ALA 84 HB2 ALA 84 9.783 27.463 14.030 656 HB3 ALA 84 HB3 ALA 84 11.429 27.490 13.400 657 H ARG 85 HN ARG 85 11.685 26.436 10.996 658 HA ARG 85 HA ARG 85 9.619 27.714 9.538 659 HB2 ARG 85 HB2 ARG 85 11.954 28.322 9.266 660 HB3 ARG 85 HB1 ARG 85 12.334 26.716 8.668 661 HG2 ARG 85 HG2 ARG 85 12.257 28.240 6.829 662 HG3 ARG 85 HG1 ARG 85 10.883 27.139 6.715 663 HD2 ARG 85 HD2 ARG 85 9.407 28.844 7.604 664 HD3 ARG 85 HD1 ARG 85 10.771 29.937 7.840 665 HE ARG 85 HE ARG 85 10.757 29.194 5.158 666 HH11 ARG 85 HH11 ARG 85 8.662 30.962 7.356 667 HH12 ARG 85 HH12 ARG 85 8.026 31.988 6.099 668 HH21 ARG 85 HH21 ARG 85 9.954 30.583 3.548 669 HH22 ARG 85 HH22 ARG 85 8.792 31.806 3.952 670 H LEU 86 HN LEU 86 10.996 24.454 9.343 671 HA LEU 86 HA LEU 86 9.496 23.874 6.926 672 HB2 LEU 86 HB2 LEU 86 11.626 22.510 8.482 673 HB3 LEU 86 HB1 LEU 86 10.585 21.516 7.482 674 HG LEU 86 HG LEU 86 12.690 22.145 6.360 675 HD11 LEU 86 HD11 LEU 86 10.209 23.318 5.113 676 HD12 LEU 86 HD12 LEU 86 10.716 21.630 5.033 677 HD13 LEU 86 HD13 LEU 86 11.686 22.881 4.255 678 HD21 LEU 86 HD21 LEU 86 11.597 24.951 6.504 679 HD22 LEU 86 HD22 LEU 86 13.016 24.443 5.589 680 HD23 LEU 86 HD23 LEU 86 13.021 24.344 7.350 681 H ALA 87 HN ALA 87 9.153 23.333 10.327 682 HA ALA 87 HA ALA 87 7.595 20.982 10.268 683 HB1 ALA 87 HB1 ALA 87 7.565 23.174 12.335 684 HB2 ALA 87 HB2 ALA 87 8.691 21.816 12.293 685 HB3 ALA 87 HB3 ALA 87 6.969 21.527 12.546 686 H ALA 88 HN ALA 88 6.807 24.266 9.596 687 HA ALA 88 HA ALA 88 4.038 24.199 10.145 688 HB1 ALA 88 HB1 ALA 88 5.295 26.279 9.888 689 HB2 ALA 88 HB2 ALA 88 3.919 26.220 8.786 690 HB3 ALA 88 HB3 ALA 88 5.548 25.917 8.179 691 H GLN 89 HN GLN 89 5.914 22.877 7.594 692 HA GLN 89 HA GLN 89 3.695 22.792 5.708 693 HB2 GLN 89 HB2 GLN 89 6.595 21.995 5.533 694 HB3 GLN 89 HB1 GLN 89 5.441 21.567 4.282 695 HG2 GLN 89 HG2 GLN 89 6.681 23.536 3.650 696 HG3 GLN 89 HG1 GLN 89 4.983 23.938 3.893 697 HE21 GLN 89 HE21 GLN 89 8.203 24.205 5.210 698 HE22 GLN 89 HE22 GLN 89 7.872 25.526 6.280 699 H GLY 90 HN GLY 90 3.771 21.224 8.290 700 HA2 GLY 90 HA2 GLY 90 2.395 19.289 8.571 701 HA3 GLY 90 HA1 GLY 90 2.986 18.687 7.030 702 H TRP 91 HN TRP 91 5.688 18.956 7.335 703 HA TRP 91 HA TRP 91 7.565 18.016 8.184 704 HB2 TRP 91 HB2 TRP 91 6.891 19.299 10.226 705 HB3 TRP 91 HB1 TRP 91 6.076 17.852 10.809 706 HD1 TRP 91 HD1 TRP 91 7.582 15.923 11.821 707 HE1 TRP 91 HE1 TRP 91 10.060 15.820 12.519 708 HE3 TRP 91 HE3 TRP 91 9.231 20.198 9.562 709 HZ2 TRP 91 HZ2 TRP 91 12.404 17.360 12.154 710 HZ3 TRP 91 HZ3 TRP 91 11.601 20.813 9.781 711 HH2 TRP 91 HH2 TRP 91 13.153 19.424 11.050 712 HA PRO 92 HA PRO 92 6.078 13.742 7.832 713 HB2 PRO 92 HB2 PRO 92 7.600 13.025 5.759 714 HB3 PRO 92 HB1 PRO 92 6.171 14.041 5.538 715 HG2 PRO 92 HG2 PRO 92 9.053 14.798 5.547 716 HG3 PRO 92 HG1 PRO 92 7.725 15.448 4.573 717 HD2 PRO 92 HD2 PRO 92 8.789 16.596 6.901 718 HD3 PRO 92 HD1 PRO 92 7.251 17.029 6.133 719 H LEU 93 HN LEU 93 8.799 15.092 9.051 720 HA LEU 93 HA LEU 93 10.425 12.676 9.101 721 HB2 LEU 93 HB2 LEU 93 10.876 15.536 9.747 722 HB3 LEU 93 HB1 LEU 93 11.821 14.364 10.643 723 HG LEU 93 HG LEU 93 12.761 13.482 8.582 724 HD11 LEU 93 HD11 LEU 93 12.304 14.518 6.424 725 HD12 LEU 93 HD12 LEU 93 11.090 15.556 7.173 726 HD13 LEU 93 HD13 LEU 93 10.841 13.811 7.114 727 HD21 LEU 93 HD21 LEU 93 12.903 16.490 8.685 728 HD22 LEU 93 HD22 LEU 93 14.070 15.419 7.910 729 HD23 LEU 93 HD23 LEU 93 13.862 15.376 9.660 730 H ASP 94 HN ASP 94 8.156 12.115 10.305 731 HA ASP 94 HA ASP 94 9.045 11.620 13.025 732 HB2 ASP 94 HB2 ASP 94 7.619 13.663 13.173 733 HB3 ASP 94 HB1 ASP 94 6.290 12.748 12.464 734 H ASP 95 HN ASP 95 9.163 9.481 12.865 735 HA ASP 95 HA ASP 95 6.960 8.041 11.569 736 HB2 ASP 95 HB2 ASP 95 8.553 6.122 11.478 737 HB3 ASP 95 HB1 ASP 95 9.094 7.532 10.576 738 H VAL 96 HN VAL 96 6.988 5.630 12.611 739 HA VAL 96 HA VAL 96 5.571 5.943 14.988 740 HB VAL 96 HB VAL 96 5.116 4.050 13.594 741 HG11 VAL 96 HG11 VAL 96 7.317 3.674 12.651 742 HG12 VAL 96 HG12 VAL 96 6.676 2.179 13.332 743 HG13 VAL 96 HG13 VAL 96 7.905 3.091 14.208 744 HG21 VAL 96 HG21 VAL 96 6.269 3.163 16.235 745 HG22 VAL 96 HG22 VAL 96 5.158 2.221 15.240 746 HG23 VAL 96 HG23 VAL 96 4.630 3.748 15.945 747 H ARG 97 HN ARG 97 6.371 6.637 16.816 748 HA ARG 97 HA ARG 97 9.052 5.851 17.650 749 HB2 ARG 97 HB2 ARG 97 8.791 7.577 19.380 750 HB3 ARG 97 HB1 ARG 97 8.538 8.215 17.764 751 HG2 ARG 97 HG2 ARG 97 6.121 8.142 18.110 752 HG3 ARG 97 HG1 ARG 97 6.379 7.503 19.735 753 HD2 ARG 97 HD2 ARG 97 5.958 9.891 19.828 754 HD3 ARG 97 HD1 ARG 97 7.611 9.539 20.329 755 HE ARG 97 HE ARG 97 6.966 10.491 17.611 756 HH11 ARG 97 HH11 ARG 97 8.851 10.672 20.557 757 HH12 ARG 97 HH12 ARG 97 9.894 11.922 19.963 758 HH21 ARG 97 HH21 ARG 97 8.331 12.146 16.821 759 HH22 ARG 97 HH22 ARG 97 9.607 12.762 17.848 760 H ASP 98 HN ASP 98 6.014 4.688 17.966 761 HA ASP 98 HA ASP 98 6.015 3.926 20.717 762 HB2 ASP 98 HB2 ASP 98 3.930 4.020 19.355 763 HB3 ASP 98 HB1 ASP 98 4.505 2.636 18.430 764 H ARG 99 HN ARG 99 7.733 2.845 21.386 765 HA ARG 99 HA ARG 99 8.845 0.695 19.734 766 HB2 ARG 99 HB2 ARG 99 10.319 2.511 20.579 767 HB3 ARG 99 HB1 ARG 99 9.928 2.037 22.222 768 HG2 ARG 99 HG2 ARG 99 10.991 -0.138 21.840 769 HG3 ARG 99 HG1 ARG 99 11.399 0.363 20.194 770 HD2 ARG 99 HD2 ARG 99 12.733 2.200 21.062 771 HD3 ARG 99 HD1 ARG 99 12.286 1.772 22.710 772 HE ARG 99 HE ARG 99 13.776 -0.130 21.026 773 HH11 ARG 99 HH11 ARG 99 13.499 1.829 23.930 774 HH12 ARG 99 HH12 ARG 99 14.948 1.189 24.650 775 HH21 ARG 99 HH21 ARG 99 15.696 -0.950 21.965 776 HH22 ARG 99 HH22 ARG 99 16.206 -0.373 23.524 777 H GLU 100 HN GLU 100 6.862 1.238 22.406 778 HA GLU 100 HA GLU 100 6.024 0.018 24.109 779 HB2 GLU 100 HB2 GLU 100 5.339 -1.423 22.159 780 HB3 GLU 100 HB1 GLU 100 6.763 -2.407 22.463 781 HG2 GLU 100 HG2 GLU 100 5.937 -3.040 24.623 782 HG3 GLU 100 HG1 GLU 100 4.582 -1.922 24.479 783 H GLU 101 HN GLU 101 7.795 0.804 25.344 784 HA GLU 101 HA GLU 101 10.023 -1.056 25.760 785 HB2 GLU 101 HB2 GLU 101 9.685 1.813 26.660 786 HB3 GLU 101 HB1 GLU 101 11.157 0.852 26.773 787 HG2 GLU 101 HG2 GLU 101 11.423 0.803 24.430 788 HG3 GLU 101 HG1 GLU 101 9.798 1.422 24.160 789 H HIS 102 HN HIS 102 7.528 0.729 27.500 790 HA HIS 102 HA HIS 102 7.555 -1.366 29.542 791 HB2 HIS 102 HB2 HIS 102 7.530 1.600 30.168 792 HB3 HIS 102 HB1 HIS 102 7.220 0.326 31.341 793 HD1 HIS 102 HD1 HIS 102 9.277 -1.051 32.171 794 HD2 HIS 102 HD2 HIS 102 10.201 2.002 29.494 795 HE1 HIS 102 HE1 HIS 102 11.773 -0.749 32.310 796 HE2 HIS 102 HE2 HIS 102 12.322 0.987 30.566 797 H ALA 103 HN ALA 103 5.576 -2.199 29.556 798 HA ALA 103 HA ALA 103 3.288 -0.393 29.179 799 HB1 ALA 103 HB1 ALA 103 2.196 -2.045 27.742 800 HB2 ALA 103 HB2 ALA 103 3.627 -3.073 27.830 801 HB3 ALA 103 HB3 ALA 103 3.719 -1.498 27.041 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -0.202 3.983 0.989 2 H2 GLY 1 HT2 GLY 1 0.226 5.053 2.229 3 H3 GLY 1 HT3 GLY 1 -0.116 3.433 2.592 4 HA2 GLY 1 HA1 GLY 1 2.256 3.784 2.640 5 HA3 GLY 1 HA2 GLY 1 1.818 2.726 1.305 6 H SER 2 HN SER 2 4.225 3.999 1.206 7 HA SER 2 HA SER 2 3.762 6.049 -0.856 8 HB2 SER 2 HB2 SER 2 5.867 6.160 1.318 9 HB3 SER 2 HB1 SER 2 5.691 7.320 -0.000 10 HG SER 2 HG SER 2 4.001 6.863 2.218 11 H HIS 3 HN HIS 3 5.577 6.352 -2.346 12 HA HIS 3 HA HIS 3 7.391 4.030 -2.472 13 HB2 HIS 3 HB2 HIS 3 5.823 5.277 -4.723 14 HB3 HIS 3 HB1 HIS 3 7.273 4.327 -5.020 15 HD1 HIS 3 HD1 HIS 3 7.152 1.760 -4.202 16 HD2 HIS 3 HD2 HIS 3 3.539 3.823 -4.373 17 HE1 HIS 3 HE1 HIS 3 5.362 -0.001 -4.187 18 HE2 HIS 3 HE2 HIS 3 3.199 1.255 -4.469 19 H MET 4 HN MET 4 9.376 4.442 -3.705 20 HA MET 4 HA MET 4 10.713 6.543 -2.478 21 HB2 MET 4 HB2 MET 4 11.512 4.802 -4.803 22 HB3 MET 4 HB1 MET 4 12.606 5.948 -4.042 23 HG2 MET 4 HG2 MET 4 13.025 3.762 -3.168 24 HG3 MET 4 HG1 MET 4 12.309 4.753 -1.900 25 HE1 MET 4 HE1 MET 4 12.523 1.610 -1.677 26 HE2 MET 4 HE2 MET 4 10.917 1.188 -1.080 27 HE3 MET 4 HE3 MET 4 11.754 2.604 -0.444 28 H ASN 5 HN ASN 5 9.726 6.301 -5.912 29 HA ASN 5 HA ASN 5 11.069 8.644 -6.708 30 HB2 ASN 5 HB2 ASN 5 10.279 6.917 -8.292 31 HB3 ASN 5 HB1 ASN 5 8.618 7.410 -7.983 32 HD21 ASN 5 HD21 ASN 5 7.810 9.209 -8.967 33 HD22 ASN 5 HD22 ASN 5 8.703 10.147 -10.120 34 H ARG 6 HN ARG 6 7.744 8.135 -5.601 35 HA ARG 6 HA ARG 6 6.964 10.848 -5.946 36 HB2 ARG 6 HB2 ARG 6 5.820 8.574 -4.350 37 HB3 ARG 6 HB1 ARG 6 5.155 10.195 -4.232 38 HG2 ARG 6 HG2 ARG 6 4.891 10.116 -6.750 39 HG3 ARG 6 HG1 ARG 6 5.229 8.388 -6.621 40 HD2 ARG 6 HD2 ARG 6 2.802 8.945 -6.624 41 HD3 ARG 6 HD1 ARG 6 3.331 8.059 -5.194 42 HE ARG 6 HE ARG 6 3.303 10.196 -3.992 43 HH11 ARG 6 HH11 ARG 6 1.552 10.019 -7.025 44 HH12 ARG 6 HH12 ARG 6 0.468 11.319 -6.614 45 HH21 ARG 6 HH21 ARG 6 1.890 11.888 -3.453 46 HH22 ARG 6 HH22 ARG 6 0.652 12.380 -4.576 47 H PHE 7 HN PHE 7 8.255 8.994 -3.241 48 HA PHE 7 HA PHE 7 7.923 10.936 -1.247 49 HB2 PHE 7 HB2 PHE 7 8.476 8.539 -0.842 50 HB3 PHE 7 HB1 PHE 7 10.106 8.846 -1.428 51 HD1 PHE 7 HD2 PHE 7 7.679 9.902 1.178 52 HD2 PHE 7 HD1 PHE 7 11.764 9.548 0.044 53 HE1 PHE 7 HE2 PHE 7 8.360 10.553 3.450 54 HE2 PHE 7 HE1 PHE 7 12.454 10.201 2.313 55 HZ PHE 7 HZ PHE 7 10.751 10.705 4.020 56 H LEU 8 HN LEU 8 10.739 10.227 -3.317 57 HA LEU 8 HA LEU 8 12.420 12.219 -2.285 58 HB2 LEU 8 HB2 LEU 8 12.323 11.060 -5.069 59 HB3 LEU 8 HB1 LEU 8 13.634 12.040 -4.443 60 HG LEU 8 HG LEU 8 12.804 9.342 -3.372 61 HD11 LEU 8 HD11 LEU 8 13.836 9.171 -5.563 62 HD12 LEU 8 HD12 LEU 8 14.931 8.574 -4.316 63 HD13 LEU 8 HD13 LEU 8 15.187 10.169 -5.024 64 HD21 LEU 8 HD21 LEU 8 15.122 11.131 -2.637 65 HD22 LEU 8 HD22 LEU 8 14.854 9.494 -2.038 66 HD23 LEU 8 HD23 LEU 8 13.717 10.778 -1.629 67 H THR 9 HN THR 9 10.134 12.323 -4.996 68 HA THR 9 HA THR 9 10.633 14.973 -5.781 69 HB THR 9 HB THR 9 8.037 13.425 -5.982 70 HG1 THR 9 HG1 THR 9 9.477 12.244 -7.123 71 HG21 THR 9 HG21 THR 9 7.771 15.842 -6.387 72 HG22 THR 9 HG22 THR 9 7.530 14.898 -7.858 73 HG23 THR 9 HG23 THR 9 9.043 15.768 -7.606 74 H SER 10 HN SER 10 8.431 13.596 -3.381 75 HA SER 10 HA SER 10 7.137 16.001 -2.665 76 HB2 SER 10 HB2 SER 10 7.612 13.530 -0.974 77 HB3 SER 10 HB1 SER 10 6.424 14.794 -0.650 78 HG SER 10 HG SER 10 6.489 13.059 -2.907 79 H ILE 11 HN ILE 11 10.086 14.421 -1.517 80 HA ILE 11 HA ILE 11 10.649 16.143 0.629 81 HB ILE 11 HB ILE 11 12.549 14.632 -1.170 82 HG12 ILE 11 HG12 ILE 11 11.025 13.190 0.067 83 HG13 ILE 11 HG11 ILE 11 12.655 13.045 0.714 84 HG21 ILE 11 HG21 ILE 11 13.736 16.465 -0.108 85 HG22 ILE 11 HG22 ILE 11 14.225 14.923 0.597 86 HG23 ILE 11 HG23 ILE 11 13.112 15.978 1.469 87 HD11 ILE 11 HD11 ILE 11 10.417 14.657 1.919 88 HD12 ILE 11 HD12 ILE 11 12.051 14.512 2.568 89 HD13 ILE 11 HD13 ILE 11 11.004 13.094 2.488 90 H VAL 12 HN VAL 12 11.724 16.280 -2.767 91 HA VAL 12 HA VAL 12 13.166 18.652 -2.692 92 HB VAL 12 HB VAL 12 11.396 17.663 -4.943 93 HG11 VAL 12 HG11 VAL 12 13.701 19.608 -4.988 94 HG12 VAL 12 HG12 VAL 12 12.000 19.996 -5.247 95 HG13 VAL 12 HG13 VAL 12 12.860 18.981 -6.404 96 HG21 VAL 12 HG21 VAL 12 13.445 16.663 -5.842 97 HG22 VAL 12 HG22 VAL 12 13.032 15.995 -4.262 98 HG23 VAL 12 HG23 VAL 12 14.324 17.186 -4.406 99 H ALA 13 HN ALA 13 9.714 18.205 -3.413 100 HA ALA 13 HA ALA 13 9.006 20.890 -3.677 101 HB1 ALA 13 HB1 ALA 13 7.544 19.042 -4.331 102 HB2 ALA 13 HB2 ALA 13 6.719 20.162 -3.248 103 HB3 ALA 13 HB3 ALA 13 7.315 18.621 -2.633 104 H TRP 14 HN TRP 14 9.031 18.812 -0.804 105 HA TRP 14 HA TRP 14 7.995 20.635 1.040 106 HB2 TRP 14 HB2 TRP 14 8.220 18.296 1.590 107 HB3 TRP 14 HB1 TRP 14 9.965 18.367 1.388 108 HD1 TRP 14 HD1 TRP 14 7.668 20.646 3.525 109 HE1 TRP 14 HE1 TRP 14 8.533 20.606 5.947 110 HE3 TRP 14 HE3 TRP 14 11.481 17.298 2.941 111 HZ2 TRP 14 HZ2 TRP 14 10.586 19.325 7.410 112 HZ3 TRP 14 HZ3 TRP 14 12.854 16.725 4.897 113 HH2 TRP 14 HH2 TRP 14 12.417 17.718 7.085 114 H LEU 15 HN LEU 15 11.380 19.961 0.191 115 HA LEU 15 HA LEU 15 12.544 21.715 2.030 116 HB2 LEU 15 HB2 LEU 15 13.623 20.904 -0.665 117 HB3 LEU 15 HB1 LEU 15 14.554 21.569 0.662 118 HG LEU 15 HG LEU 15 13.204 18.878 0.559 119 HD11 LEU 15 HD11 LEU 15 15.311 19.008 -0.644 120 HD12 LEU 15 HD12 LEU 15 15.485 18.036 0.818 121 HD13 LEU 15 HD13 LEU 15 16.098 19.690 0.781 122 HD21 LEU 15 HD21 LEU 15 14.142 18.525 2.810 123 HD22 LEU 15 HD22 LEU 15 12.912 19.791 2.780 124 HD23 LEU 15 HD23 LEU 15 14.623 20.222 2.856 125 H ARG 16 HN ARG 16 11.749 22.238 -1.413 126 HA ARG 16 HA ARG 16 12.700 24.921 -1.363 127 HB2 ARG 16 HB2 ARG 16 11.695 25.151 -3.570 128 HB3 ARG 16 HB1 ARG 16 12.595 23.650 -3.445 129 HG2 ARG 16 HG2 ARG 16 10.446 22.462 -3.059 130 HG3 ARG 16 HG1 ARG 16 9.607 23.985 -3.367 131 HD2 ARG 16 HD2 ARG 16 11.388 22.477 -5.279 132 HD3 ARG 16 HD1 ARG 16 9.636 22.642 -5.378 133 HE ARG 16 HE ARG 16 11.265 25.082 -5.461 134 HH11 ARG 16 HH11 ARG 16 9.383 22.692 -7.219 135 HH12 ARG 16 HH12 ARG 16 9.091 23.740 -8.578 136 HH21 ARG 16 HH21 ARG 16 10.880 26.454 -7.232 137 HH22 ARG 16 HH22 ARG 16 9.934 25.892 -8.583 138 H ALA 17 HN ALA 17 9.559 23.451 -0.756 139 HA ALA 17 HA ALA 17 8.069 25.866 -0.748 140 HB1 ALA 17 HB1 ALA 17 6.991 23.675 -0.912 141 HB2 ALA 17 HB2 ALA 17 6.352 24.609 0.440 142 HB3 ALA 17 HB3 ALA 17 7.498 23.302 0.735 143 H GLY 18 HN GLY 18 10.037 24.224 1.617 144 HA2 GLY 18 HA2 GLY 18 9.289 25.740 3.885 145 HA3 GLY 18 HA1 GLY 18 10.805 24.878 3.677 146 H TYR 19 HN TYR 19 11.362 26.454 1.178 147 HA TYR 19 HA TYR 19 11.785 29.125 2.239 148 HB2 TYR 19 HB2 TYR 19 14.020 27.190 1.715 149 HB3 TYR 19 HB1 TYR 19 14.274 28.918 1.511 150 HD1 TYR 19 HD2 TYR 19 14.013 30.431 3.463 151 HD2 TYR 19 HD1 TYR 19 13.951 26.202 3.885 152 HE1 TYR 19 HE2 TYR 19 14.430 30.672 5.868 153 HE2 TYR 19 HE1 TYR 19 14.357 26.427 6.300 154 HH TYR 19 HH TYR 19 15.487 28.347 7.828 155 HA PRO 20 HA PRO 20 10.827 29.109 -2.281 156 HB2 PRO 20 HB2 PRO 20 9.372 31.426 -2.139 157 HB3 PRO 20 HB1 PRO 20 8.677 29.819 -1.899 158 HG2 PRO 20 HG2 PRO 20 9.535 31.837 0.135 159 HG3 PRO 20 HG1 PRO 20 8.098 30.797 0.124 160 HD2 PRO 20 HD2 PRO 20 10.269 30.230 1.619 161 HD3 PRO 20 HD1 PRO 20 9.268 28.960 0.888 162 H GLU 21 HN GLU 21 12.224 31.281 -0.035 163 HA GLU 21 HA GLU 21 13.207 33.226 -1.902 164 HB2 GLU 21 HB2 GLU 21 14.345 32.669 0.834 165 HB3 GLU 21 HB1 GLU 21 14.301 34.195 -0.037 166 HG2 GLU 21 HG2 GLU 21 11.889 32.780 1.071 167 HG3 GLU 21 HG1 GLU 21 12.745 34.097 1.872 168 H GLY 22 HN GLY 22 13.974 30.052 -1.285 169 HA2 GLY 22 HA2 GLY 22 15.815 28.812 -2.052 170 HA3 GLY 22 HA1 GLY 22 16.719 30.315 -2.245 171 H ILE 23 HN ILE 23 16.799 27.595 -0.559 172 HA ILE 23 HA ILE 23 16.813 28.284 2.144 173 HB ILE 23 HB ILE 23 18.351 26.119 0.703 174 HG12 ILE 23 HG12 ILE 23 16.653 24.682 1.996 175 HG13 ILE 23 HG11 ILE 23 15.765 26.175 2.251 176 HG21 ILE 23 HG21 ILE 23 19.551 26.652 2.728 177 HG22 ILE 23 HG22 ILE 23 18.735 25.099 2.903 178 HG23 ILE 23 HG23 ILE 23 18.066 26.538 3.673 179 HD11 ILE 23 HD11 ILE 23 15.437 26.442 -0.110 180 HD12 ILE 23 HD12 ILE 23 14.942 24.818 0.357 181 HD13 ILE 23 HD13 ILE 23 16.488 25.069 -0.449 182 HA PRO 24 HA PRO 24 20.318 31.076 1.958 183 HB2 PRO 24 HB2 PRO 24 20.262 31.695 4.636 184 HB3 PRO 24 HB1 PRO 24 19.251 32.472 3.413 185 HG2 PRO 24 HG2 PRO 24 18.577 30.287 5.330 186 HG3 PRO 24 HG1 PRO 24 17.595 31.665 4.803 187 HD2 PRO 24 HD2 PRO 24 17.225 29.171 3.840 188 HD3 PRO 24 HD1 PRO 24 16.948 30.620 2.853 189 HA PRO 25 HA PRO 25 23.836 28.677 3.087 190 HB2 PRO 25 HB2 PRO 25 25.368 30.714 4.246 191 HB3 PRO 25 HB1 PRO 25 25.347 30.272 2.537 192 HG2 PRO 25 HG2 PRO 25 23.906 32.464 3.950 193 HG3 PRO 25 HG1 PRO 25 24.607 32.442 2.322 194 HD2 PRO 25 HD2 PRO 25 21.966 32.241 2.697 195 HD3 PRO 25 HD1 PRO 25 22.785 31.320 1.418 196 H THR 26 HN THR 26 22.530 30.882 5.510 197 HA THR 26 HA THR 26 23.767 29.795 7.784 198 HB THR 26 HB THR 26 21.751 30.769 8.995 199 HG1 THR 26 HG1 THR 26 20.119 30.803 7.544 200 HG21 THR 26 HG21 THR 26 22.390 33.091 8.537 201 HG22 THR 26 HG22 THR 26 23.227 32.576 7.071 202 HG23 THR 26 HG23 THR 26 23.811 32.054 8.652 203 H ASP 27 HN ASP 27 20.689 29.088 6.209 204 HA ASP 27 HA ASP 27 19.989 27.105 8.185 205 HB2 ASP 27 HB2 ASP 27 18.596 28.065 5.683 206 HB3 ASP 27 HB1 ASP 27 17.938 26.834 6.761 207 H SER 28 HN SER 28 21.737 27.144 5.303 208 HA SER 28 HA SER 28 21.052 24.741 4.084 209 HB2 SER 28 HB2 SER 28 23.791 26.012 4.305 210 HB3 SER 28 HB1 SER 28 23.318 24.791 3.124 211 HG SER 28 HG SER 28 21.716 27.060 3.270 212 H PHE 29 HN PHE 29 23.407 25.367 6.650 213 HA PHE 29 HA PHE 29 24.260 22.689 6.950 214 HB2 PHE 29 HB2 PHE 29 24.379 25.082 8.788 215 HB3 PHE 29 HB1 PHE 29 25.068 23.523 9.216 216 HD1 PHE 29 HD2 PHE 29 25.127 25.691 6.164 217 HD2 PHE 29 HD1 PHE 29 27.334 23.465 9.034 218 HE1 PHE 29 HE2 PHE 29 27.213 26.296 5.017 219 HE2 PHE 29 HE1 PHE 29 29.429 24.060 7.889 220 HZ PHE 29 HZ PHE 29 29.372 25.481 5.880 221 H ALA 30 HN ALA 30 21.740 24.610 8.495 222 HA ALA 30 HA ALA 30 20.954 22.701 10.417 223 HB1 ALA 30 HB1 ALA 30 19.306 24.863 9.111 224 HB2 ALA 30 HB2 ALA 30 20.311 25.056 10.547 225 HB3 ALA 30 HB3 ALA 30 18.897 24.001 10.595 226 H VAL 31 HN VAL 31 19.770 23.396 7.141 227 HA VAL 31 HA VAL 31 17.730 21.496 7.022 228 HB VAL 31 HB VAL 31 19.500 22.545 4.802 229 HG11 VAL 31 HG11 VAL 31 16.934 20.968 4.579 230 HG12 VAL 31 HG12 VAL 31 18.543 20.397 4.136 231 HG13 VAL 31 HG13 VAL 31 17.799 21.723 3.240 232 HG21 VAL 31 HG21 VAL 31 17.563 23.942 4.265 233 HG22 VAL 31 HG22 VAL 31 18.141 24.242 5.904 234 HG23 VAL 31 HG23 VAL 31 16.694 23.267 5.643 235 H LEU 32 HN LEU 32 21.150 21.185 6.048 236 HA LEU 32 HA LEU 32 20.916 18.501 5.233 237 HB2 LEU 32 HB2 LEU 32 23.263 18.457 5.060 238 HB3 LEU 32 HB1 LEU 32 22.745 20.063 4.594 239 HG LEU 32 HG LEU 32 23.307 20.594 7.131 240 HD11 LEU 32 HD11 LEU 32 25.207 18.351 6.492 241 HD12 LEU 32 HD12 LEU 32 23.817 18.200 7.565 242 HD13 LEU 32 HD13 LEU 32 25.133 19.309 7.975 243 HD21 LEU 32 HD21 LEU 32 24.301 21.632 5.127 244 HD22 LEU 32 HD22 LEU 32 25.427 20.279 5.009 245 HD23 LEU 32 HD23 LEU 32 25.482 21.355 6.408 246 H ALA 33 HN ALA 33 21.687 19.940 8.363 247 HA ALA 33 HA ALA 33 22.357 17.528 9.674 248 HB1 ALA 33 HB1 ALA 33 22.822 19.796 10.558 249 HB2 ALA 33 HB2 ALA 33 22.045 18.734 11.730 250 HB3 ALA 33 HB3 ALA 33 21.105 19.978 10.904 251 H LEU 34 HN LEU 34 19.293 19.231 9.276 252 HA LEU 34 HA LEU 34 17.741 17.465 10.854 253 HB2 LEU 34 HB2 LEU 34 17.151 19.818 10.149 254 HB3 LEU 34 HB1 LEU 34 16.820 19.188 8.549 255 HG LEU 34 HG LEU 34 14.829 19.609 10.082 256 HD11 LEU 34 HD11 LEU 34 13.633 17.619 9.297 257 HD12 LEU 34 HD12 LEU 34 15.172 16.881 8.849 258 HD13 LEU 34 HD13 LEU 34 14.623 18.342 8.027 259 HD21 LEU 34 HD21 LEU 34 14.280 17.823 11.656 260 HD22 LEU 34 HD22 LEU 34 15.769 18.651 12.111 261 HD23 LEU 34 HD23 LEU 34 15.843 17.066 11.343 262 H LEU 35 HN LEU 35 18.258 17.733 7.356 263 HA LEU 35 HA LEU 35 16.558 15.624 6.618 264 HB2 LEU 35 HB2 LEU 35 18.648 17.235 5.303 265 HB3 LEU 35 HB1 LEU 35 18.315 15.676 4.573 266 HG LEU 35 HG LEU 35 15.954 16.291 4.313 267 HD11 LEU 35 HD11 LEU 35 16.793 18.973 5.410 268 HD12 LEU 35 HD12 LEU 35 15.739 17.809 6.212 269 HD13 LEU 35 HD13 LEU 35 15.221 18.582 4.715 270 HD21 LEU 35 HD21 LEU 35 17.531 16.729 2.512 271 HD22 LEU 35 HD22 LEU 35 17.879 18.319 3.192 272 HD23 LEU 35 HD23 LEU 35 16.271 17.961 2.565 273 H CYS 36 HN CYS 36 19.971 15.660 7.502 274 HA CYS 36 HA CYS 36 20.702 13.143 6.538 275 HB2 CYS 36 HB2 CYS 36 22.282 14.862 7.410 276 HB3 CYS 36 HB1 CYS 36 21.743 14.485 9.041 277 HG CYS 36 HG CYS 36 23.767 12.910 9.335 278 H ARG 37 HN ARG 37 18.740 13.988 9.262 279 HA ARG 37 HA ARG 37 19.099 11.414 10.550 280 HB2 ARG 37 HB2 ARG 37 17.137 13.602 11.241 281 HB3 ARG 37 HB1 ARG 37 17.595 12.239 12.254 282 HG2 ARG 37 HG2 ARG 37 19.946 13.147 12.208 283 HG3 ARG 37 HG1 ARG 37 19.281 14.596 11.453 284 HD2 ARG 37 HD2 ARG 37 18.656 13.484 14.178 285 HD3 ARG 37 HD1 ARG 37 19.451 15.008 13.794 286 HE ARG 37 HE ARG 37 16.918 15.029 12.618 287 HH11 ARG 37 HH11 ARG 37 18.398 15.115 15.786 288 HH12 ARG 37 HH12 ARG 37 17.025 15.858 16.554 289 HH21 ARG 37 HH21 ARG 37 15.118 16.044 13.608 290 HH22 ARG 37 HH22 ARG 37 15.164 16.418 15.306 291 H ARG 38 HN ARG 38 17.352 12.496 7.967 292 HA ARG 38 HA ARG 38 15.301 10.412 8.354 293 HB2 ARG 38 HB2 ARG 38 14.250 12.563 8.037 294 HB3 ARG 38 HB1 ARG 38 15.248 12.898 6.632 295 HG2 ARG 38 HG2 ARG 38 13.024 12.330 5.922 296 HG3 ARG 38 HG1 ARG 38 14.135 11.056 5.427 297 HD2 ARG 38 HD2 ARG 38 12.441 10.920 7.917 298 HD3 ARG 38 HD1 ARG 38 11.932 10.280 6.356 299 HE ARG 38 HE ARG 38 14.309 9.071 6.729 300 HH11 ARG 38 HH11 ARG 38 11.478 9.374 8.784 301 HH12 ARG 38 HH12 ARG 38 11.762 7.874 9.609 302 HH21 ARG 38 HH21 ARG 38 14.679 7.110 7.818 303 HH22 ARG 38 HH22 ARG 38 13.596 6.595 9.077 304 H LEU 39 HN LEU 39 17.376 11.958 5.950 305 HA LEU 39 HA LEU 39 17.684 9.346 4.633 306 HB2 LEU 39 HB2 LEU 39 17.561 12.086 3.364 307 HB3 LEU 39 HB1 LEU 39 18.051 10.632 2.516 308 HG LEU 39 HG LEU 39 15.333 11.006 3.772 309 HD11 LEU 39 HD11 LEU 39 14.524 11.341 1.485 310 HD12 LEU 39 HD12 LEU 39 16.189 11.320 0.898 311 HD13 LEU 39 HD13 LEU 39 15.647 12.610 1.972 312 HD21 LEU 39 HD21 LEU 39 16.398 8.951 1.839 313 HD22 LEU 39 HD22 LEU 39 14.730 9.073 2.400 314 HD23 LEU 39 HD23 LEU 39 16.017 8.678 3.540 315 H SER 40 HN SER 40 19.814 8.922 3.849 316 HA SER 40 HA SER 40 21.751 10.005 5.662 317 HB2 SER 40 HB2 SER 40 22.198 8.082 3.380 318 HB3 SER 40 HB1 SER 40 23.216 8.308 4.802 319 HG SER 40 HG SER 40 20.654 7.144 4.615 320 H HIS 41 HN HIS 41 24.095 10.332 4.520 321 HA HIS 41 HA HIS 41 23.685 12.951 3.529 322 HB2 HIS 41 HB2 HIS 41 26.057 13.261 3.593 323 HB3 HIS 41 HB1 HIS 41 25.555 12.385 5.027 324 HD1 HIS 41 HD1 HIS 41 28.441 12.313 4.354 325 HD2 HIS 41 HD2 HIS 41 25.757 9.521 2.837 326 HE1 HIS 41 HE1 HIS 41 29.826 10.300 3.747 327 HE2 HIS 41 HE2 HIS 41 28.155 8.561 2.995 328 H ASP 42 HN ASP 42 24.186 9.957 1.844 329 HA ASP 42 HA ASP 42 25.059 11.255 -0.579 330 HB2 ASP 42 HB2 ASP 42 25.624 8.898 -0.196 331 HB3 ASP 42 HB1 ASP 42 23.912 8.480 -0.190 332 H GLU 43 HN GLU 43 22.014 10.013 0.707 333 HA GLU 43 HA GLU 43 20.341 10.620 -1.435 334 HB2 GLU 43 HB2 GLU 43 19.754 10.736 1.529 335 HB3 GLU 43 HB1 GLU 43 18.530 10.847 0.277 336 HG2 GLU 43 HG2 GLU 43 18.385 8.649 0.888 337 HG3 GLU 43 HG1 GLU 43 19.474 8.562 -0.497 338 H VAL 44 HN VAL 44 21.179 12.621 1.391 339 HA VAL 44 HA VAL 44 19.758 14.884 0.457 340 HB VAL 44 HB VAL 44 20.910 16.182 2.167 341 HG11 VAL 44 HG11 VAL 44 20.091 13.440 3.115 342 HG12 VAL 44 HG12 VAL 44 19.020 14.811 2.828 343 HG13 VAL 44 HG13 VAL 44 20.213 14.881 4.127 344 HG21 VAL 44 HG21 VAL 44 22.591 15.145 3.623 345 HG22 VAL 44 HG22 VAL 44 23.150 15.272 1.955 346 HG23 VAL 44 HG23 VAL 44 22.597 13.720 2.583 347 H LYS 45 HN LYS 45 23.092 13.803 -0.005 348 HA LYS 45 HA LYS 45 24.096 16.088 -1.263 349 HB2 LYS 45 HB2 LYS 45 25.447 14.081 -0.600 350 HB3 LYS 45 HB1 LYS 45 24.753 13.210 -1.961 351 HG2 LYS 45 HG2 LYS 45 26.177 15.786 -2.438 352 HG3 LYS 45 HG1 LYS 45 27.107 14.324 -2.127 353 HD2 LYS 45 HD2 LYS 45 25.034 14.606 -4.303 354 HD3 LYS 45 HD1 LYS 45 26.770 14.807 -4.541 355 HE2 LYS 45 HE2 LYS 45 26.561 12.618 -5.142 356 HE3 LYS 45 HE1 LYS 45 26.840 12.418 -3.414 357 HZ1 LYS 45 HZ1 LYS 45 24.209 12.393 -4.790 358 HZ2 LYS 45 HZ2 LYS 45 24.419 12.281 -3.113 359 HZ3 LYS 45 HZ3 LYS 45 25.005 11.054 -4.122 360 H ALA 46 HN ALA 46 22.223 13.378 -2.554 361 HA ALA 46 HA ALA 46 22.398 14.194 -5.269 362 HB1 ALA 46 HB1 ALA 46 20.651 12.550 -5.681 363 HB2 ALA 46 HB2 ALA 46 20.340 12.425 -3.951 364 HB3 ALA 46 HB3 ALA 46 21.886 11.890 -4.608 365 H VAL 47 HN VAL 47 19.801 14.543 -2.836 366 HA VAL 47 HA VAL 47 18.027 15.863 -4.591 367 HB VAL 47 HB VAL 47 17.241 14.763 -2.545 368 HG11 VAL 47 HG11 VAL 47 18.571 17.038 -1.088 369 HG12 VAL 47 HG12 VAL 47 19.018 15.335 -1.012 370 HG13 VAL 47 HG13 VAL 47 17.469 15.870 -0.362 371 HG21 VAL 47 HG21 VAL 47 16.601 17.705 -2.654 372 HG22 VAL 47 HG22 VAL 47 15.631 16.475 -1.842 373 HG23 VAL 47 HG23 VAL 47 15.831 16.429 -3.594 374 H ALA 48 HN ALA 48 20.458 17.114 -2.328 375 HA ALA 48 HA ALA 48 19.779 19.841 -2.656 376 HB1 ALA 48 HB1 ALA 48 21.974 20.323 -1.715 377 HB2 ALA 48 HB2 ALA 48 22.456 18.642 -1.948 378 HB3 ALA 48 HB3 ALA 48 21.174 19.041 -0.805 379 H ASN 49 HN ASN 49 22.079 17.711 -4.286 380 HA ASN 49 HA ASN 49 23.245 19.616 -5.973 381 HB2 ASN 49 HB2 ASN 49 23.009 16.645 -5.998 382 HB3 ASN 49 HB1 ASN 49 23.534 17.439 -7.477 383 HD21 ASN 49 HD21 ASN 49 25.576 16.479 -7.295 384 HD22 ASN 49 HD22 ASN 49 26.749 17.067 -6.157 385 H GLU 50 HN GLU 50 20.409 17.517 -6.497 386 HA GLU 50 HA GLU 50 20.056 18.465 -9.173 387 HB2 GLU 50 HB2 GLU 50 18.012 17.200 -9.222 388 HB3 GLU 50 HB1 GLU 50 19.261 16.239 -8.449 389 HG2 GLU 50 HG2 GLU 50 18.332 16.721 -6.271 390 HG3 GLU 50 HG1 GLU 50 17.121 17.776 -7.001 391 H LEU 51 HN LEU 51 18.780 19.426 -6.031 392 HA LEU 51 HA LEU 51 16.761 21.119 -7.097 393 HB2 LEU 51 HB2 LEU 51 16.799 20.251 -4.759 394 HB3 LEU 51 HB1 LEU 51 18.129 21.343 -4.419 395 HG LEU 51 HG LEU 51 16.710 23.272 -4.773 396 HD11 LEU 51 HD11 LEU 51 14.334 23.044 -5.277 397 HD12 LEU 51 HD12 LEU 51 14.528 21.298 -5.431 398 HD13 LEU 51 HD13 LEU 51 15.325 22.378 -6.575 399 HD21 LEU 51 HD21 LEU 51 15.343 21.221 -3.036 400 HD22 LEU 51 HD22 LEU 51 15.126 22.969 -2.941 401 HD23 LEU 51 HD23 LEU 51 16.691 22.251 -2.554 402 H MET 52 HN MET 52 20.133 21.627 -6.153 403 HA MET 52 HA MET 52 20.182 24.409 -6.764 404 HB2 MET 52 HB2 MET 52 22.380 22.342 -6.614 405 HB3 MET 52 HB1 MET 52 22.683 24.046 -6.928 406 HG2 MET 52 HG2 MET 52 21.679 24.622 -4.783 407 HG3 MET 52 HG1 MET 52 21.374 22.915 -4.463 408 HE1 MET 52 HE1 MET 52 22.635 23.282 -2.112 409 HE2 MET 52 HE2 MET 52 22.963 24.960 -2.541 410 HE3 MET 52 HE3 MET 52 24.274 23.920 -1.985 411 H ARG 53 HN ARG 53 20.874 21.480 -8.570 412 HA ARG 53 HA ARG 53 21.678 22.604 -11.004 413 HB2 ARG 53 HB2 ARG 53 21.987 20.275 -10.593 414 HB3 ARG 53 HB1 ARG 53 20.276 20.033 -10.294 415 HG2 ARG 53 HG2 ARG 53 19.809 20.445 -12.660 416 HG3 ARG 53 HG1 ARG 53 21.538 20.668 -12.952 417 HD2 ARG 53 HD2 ARG 53 22.020 18.425 -12.393 418 HD3 ARG 53 HD1 ARG 53 20.420 18.177 -11.699 419 HE ARG 53 HE ARG 53 20.242 18.841 -14.457 420 HH11 ARG 53 HH11 ARG 53 21.126 16.228 -12.308 421 HH12 ARG 53 HH12 ARG 53 20.646 14.981 -13.410 422 HH21 ARG 53 HH21 ARG 53 19.578 17.200 -15.903 423 HH22 ARG 53 HH22 ARG 53 19.773 15.529 -15.457 424 H LEU 54 HN LEU 54 18.480 21.990 -9.668 425 HA LEU 54 HA LEU 54 17.005 22.721 -11.979 426 HB2 LEU 54 HB2 LEU 54 16.063 21.420 -10.101 427 HB3 LEU 54 HB1 LEU 54 16.198 22.829 -9.068 428 HG LEU 54 HG LEU 54 14.580 24.018 -10.527 429 HD11 LEU 54 HD11 LEU 54 14.982 22.798 -12.595 430 HD12 LEU 54 HD12 LEU 54 13.278 22.734 -12.146 431 HD13 LEU 54 HD13 LEU 54 14.315 21.333 -11.875 432 HD21 LEU 54 HD21 LEU 54 12.608 22.784 -9.773 433 HD22 LEU 54 HD22 LEU 54 13.829 22.885 -8.506 434 HD23 LEU 54 HD23 LEU 54 13.620 21.386 -9.409 435 H GLY 55 HN GLY 55 18.467 24.499 -9.359 436 HA2 GLY 55 HA2 GLY 55 19.185 26.738 -9.609 437 HA3 GLY 55 HA1 GLY 55 17.945 26.976 -10.829 438 H ASP 56 HN ASP 56 16.815 25.359 -8.067 439 HA ASP 56 HA ASP 56 15.363 27.800 -7.309 440 HB2 ASP 56 HB2 ASP 56 14.253 25.521 -8.014 441 HB3 ASP 56 HB1 ASP 56 14.609 25.059 -6.353 442 H PHE 57 HN PHE 57 18.107 26.703 -6.457 443 HA PHE 57 HA PHE 57 17.672 26.830 -3.542 444 HB2 PHE 57 HB2 PHE 57 18.572 24.642 -4.773 445 HB3 PHE 57 HB1 PHE 57 20.094 25.516 -4.712 446 HD1 PHE 57 HD1 PHE 57 20.510 26.585 -2.214 447 HD2 PHE 57 HD2 PHE 57 18.242 23.109 -3.146 448 HE1 PHE 57 HE1 PHE 57 20.890 25.731 0.058 449 HE2 PHE 57 HE2 PHE 57 18.615 22.255 -0.875 450 HZ PHE 57 HZ PHE 57 19.940 23.564 0.734 451 H ASP 58 HN ASP 58 19.412 27.898 -2.354 452 HA ASP 58 HA ASP 58 20.515 30.179 -3.663 453 HB2 ASP 58 HB2 ASP 58 19.870 29.937 -1.183 454 HB3 ASP 58 HB1 ASP 58 21.393 29.080 -0.989 455 H GLN 59 HN GLN 59 22.930 30.624 -3.631 456 HA GLN 59 HA GLN 59 24.200 28.266 -4.781 457 HB2 GLN 59 HB2 GLN 59 25.922 29.897 -5.626 458 HB3 GLN 59 HB1 GLN 59 24.301 30.102 -6.264 459 HG2 GLN 59 HG2 GLN 59 25.269 31.724 -3.940 460 HG3 GLN 59 HG1 GLN 59 25.644 32.180 -5.599 461 HE21 GLN 59 HE21 GLN 59 23.995 32.878 -6.952 462 HE22 GLN 59 HE22 GLN 59 22.443 33.361 -6.343 463 H ILE 60 HN ILE 60 24.643 27.200 -2.830 464 HA ILE 60 HA ILE 60 27.219 28.053 -1.719 465 HB ILE 60 HB ILE 60 26.654 27.245 0.517 466 HG12 ILE 60 HG12 ILE 60 24.811 25.680 -0.284 467 HG13 ILE 60 HG11 ILE 60 24.502 26.553 1.211 468 HG21 ILE 60 HG21 ILE 60 24.771 29.372 -0.474 469 HG22 ILE 60 HG22 ILE 60 26.425 29.602 0.093 470 HG23 ILE 60 HG23 ILE 60 25.174 29.073 1.217 471 HD11 ILE 60 HD11 ILE 60 22.528 26.473 -0.195 472 HD12 ILE 60 HD12 ILE 60 23.408 27.258 -1.504 473 HD13 ILE 60 HD13 ILE 60 23.091 28.131 -0.005 474 H ASP 61 HN ASP 61 27.994 25.970 -0.267 475 HA ASP 61 HA ASP 61 27.627 23.659 -2.068 476 HB2 ASP 61 HB2 ASP 61 29.971 24.716 -1.784 477 HB3 ASP 61 HB1 ASP 61 29.954 23.976 -0.187 478 H ILE 62 HN ILE 62 26.430 22.097 -1.257 479 HA ILE 62 HA ILE 62 26.163 21.806 1.647 480 HB ILE 62 HB ILE 62 24.677 20.444 -0.612 481 HG12 ILE 62 HG12 ILE 62 24.148 22.825 -0.413 482 HG13 ILE 62 HG11 ILE 62 22.780 21.837 0.086 483 HG21 ILE 62 HG21 ILE 62 23.140 19.639 1.127 484 HG22 ILE 62 HG22 ILE 62 24.210 20.304 2.362 485 HG23 ILE 62 HG23 ILE 62 24.770 18.993 1.324 486 HD11 ILE 62 HD11 ILE 62 23.350 22.229 2.422 487 HD12 ILE 62 HD12 ILE 62 23.081 23.741 1.554 488 HD13 ILE 62 HD13 ILE 62 24.725 23.214 1.921 489 H GLY 63 HN GLY 63 27.426 20.227 -1.180 490 HA2 GLY 63 HA2 GLY 63 27.692 17.605 -0.280 491 HA3 GLY 63 HA1 GLY 63 28.709 18.360 -1.496 492 H VAL 64 HN VAL 64 29.993 20.301 -0.010 493 HA VAL 64 HA VAL 64 32.090 18.845 1.141 494 HB VAL 64 HB VAL 64 31.365 21.771 1.318 495 HG11 VAL 64 HG11 VAL 64 33.863 20.423 2.356 496 HG12 VAL 64 HG12 VAL 64 32.633 21.230 3.331 497 HG13 VAL 64 HG13 VAL 64 33.626 22.165 2.212 498 HG21 VAL 64 HG21 VAL 64 33.511 20.272 -0.178 499 HG22 VAL 64 HG22 VAL 64 33.278 22.020 -0.193 500 HG23 VAL 64 HG23 VAL 64 32.042 20.961 -0.868 501 H VAL 65 HN VAL 65 29.277 20.354 2.648 502 HA VAL 65 HA VAL 65 30.315 20.072 5.312 503 HB VAL 65 HB VAL 65 27.430 20.560 4.583 504 HG11 VAL 65 HG11 VAL 65 27.813 20.052 6.911 505 HG12 VAL 65 HG12 VAL 65 27.414 21.762 6.737 506 HG13 VAL 65 HG13 VAL 65 29.088 21.268 6.999 507 HG21 VAL 65 HG21 VAL 65 27.927 22.965 4.671 508 HG22 VAL 65 HG22 VAL 65 28.785 22.163 3.352 509 HG23 VAL 65 HG23 VAL 65 29.645 22.595 4.829 510 H ILE 66 HN ILE 66 28.051 18.271 3.273 511 HA ILE 66 HA ILE 66 27.276 16.531 5.438 512 HB ILE 66 HB ILE 66 26.028 15.266 3.724 513 HG12 ILE 66 HG12 ILE 66 27.223 17.321 1.854 514 HG13 ILE 66 HG11 ILE 66 27.482 15.580 1.812 515 HG21 ILE 66 HG21 ILE 66 24.422 17.052 3.204 516 HG22 ILE 66 HG22 ILE 66 25.618 18.251 3.703 517 HG23 ILE 66 HG23 ILE 66 24.971 17.106 4.880 518 HD11 ILE 66 HD11 ILE 66 25.942 16.311 0.078 519 HD12 ILE 66 HD12 ILE 66 24.866 16.973 1.310 520 HD13 ILE 66 HD13 ILE 66 25.153 15.234 1.230 521 H THR 67 HN THR 67 29.905 16.622 3.310 522 HA THR 67 HA THR 67 30.430 13.770 3.807 523 HB THR 67 HB THR 67 32.188 13.948 2.062 524 HG1 THR 67 HG1 THR 67 31.063 16.474 1.396 525 HG21 THR 67 HG21 THR 67 30.659 14.087 0.135 526 HG22 THR 67 HG22 THR 67 29.424 14.802 1.171 527 HG23 THR 67 HG23 THR 67 29.961 13.146 1.452 528 H HIS 68 HN HIS 68 31.095 16.805 4.933 529 HA HIS 68 HA HIS 68 33.257 15.809 6.590 530 HB2 HIS 68 HB2 HIS 68 34.353 16.867 4.584 531 HB3 HIS 68 HB1 HIS 68 33.582 18.383 5.023 532 HD1 HIS 68 HD1 HIS 68 36.686 16.741 5.310 533 HD2 HIS 68 HD2 HIS 68 34.410 19.075 7.898 534 HE1 HIS 68 HE1 HIS 68 38.285 17.573 7.062 535 HE2 HIS 68 HE2 HIS 68 36.928 19.119 8.512 536 H PHE 69 HN PHE 69 31.836 15.987 8.309 537 HA PHE 69 HA PHE 69 30.329 18.385 8.770 538 HB2 PHE 69 HB2 PHE 69 30.762 15.884 10.403 539 HB3 PHE 69 HB1 PHE 69 29.806 17.244 10.987 540 HD1 PHE 69 HD1 PHE 69 29.980 14.515 8.544 541 HD2 PHE 69 HD2 PHE 69 27.644 17.729 10.069 542 HE1 PHE 69 HE1 PHE 69 28.008 13.644 7.355 543 HE2 PHE 69 HE2 PHE 69 25.672 16.864 8.887 544 HZ PHE 69 HZ PHE 69 25.851 14.817 7.525 545 H THR 70 HN THR 70 30.966 20.134 9.780 546 HA THR 70 HA THR 70 33.633 20.225 10.891 547 HB THR 70 HB THR 70 33.204 22.675 11.071 548 HG1 THR 70 HG1 THR 70 30.678 21.941 10.904 549 HG21 THR 70 HG21 THR 70 32.608 21.442 8.373 550 HG22 THR 70 HG22 THR 70 34.210 21.750 9.044 551 HG23 THR 70 HG23 THR 70 33.147 23.099 8.645 552 H ASP 71 HN ASP 71 34.027 21.381 12.948 553 HA ASP 71 HA ASP 71 32.253 20.459 15.036 554 HB2 ASP 71 HB2 ASP 71 34.614 20.326 15.474 555 HB3 ASP 71 HB1 ASP 71 34.836 22.031 15.091 556 H GLU 72 HN GLU 72 32.930 23.396 13.349 557 HA GLU 72 HA GLU 72 31.829 25.205 15.241 558 HB2 GLU 72 HB2 GLU 72 33.459 25.827 13.488 559 HB3 GLU 72 HB1 GLU 72 32.231 25.534 12.267 560 HG2 GLU 72 HG2 GLU 72 30.872 27.331 13.197 561 HG3 GLU 72 HG1 GLU 72 32.104 27.623 14.427 562 H LEU 73 HN LEU 73 30.553 23.625 12.340 563 HA LEU 73 HA LEU 73 27.839 24.267 13.251 564 HB2 LEU 73 HB2 LEU 73 28.925 24.657 10.460 565 HB3 LEU 73 HB1 LEU 73 27.217 24.679 10.852 566 HG LEU 73 HG LEU 73 29.249 26.614 11.970 567 HD11 LEU 73 HD11 LEU 73 28.254 28.249 10.461 568 HD12 LEU 73 HD12 LEU 73 27.225 26.995 9.768 569 HD13 LEU 73 HD13 LEU 73 28.975 26.912 9.565 570 HD21 LEU 73 HD21 LEU 73 26.233 26.586 12.078 571 HD22 LEU 73 HD22 LEU 73 27.278 27.869 12.692 572 HD23 LEU 73 HD23 LEU 73 27.327 26.266 13.425 573 HA PRO 74 HA PRO 74 25.880 23.963 11.858 574 HB2 PRO 74 HB2 PRO 74 23.671 22.496 12.152 575 HB3 PRO 74 HB1 PRO 74 24.543 22.523 10.612 576 HG2 PRO 74 HG2 PRO 74 24.572 20.454 12.769 577 HG3 PRO 74 HG1 PRO 74 24.527 20.241 11.009 578 HD2 PRO 74 HD2 PRO 74 26.808 20.064 12.565 579 HD3 PRO 74 HD1 PRO 74 26.792 20.396 10.823 580 H SER 75 HN SER 75 23.822 24.230 13.443 581 HA SER 75 HA SER 75 24.743 23.599 16.168 582 HB2 SER 75 HB2 SER 75 23.489 26.196 15.237 583 HB3 SER 75 HB1 SER 75 23.998 25.825 16.884 584 HG SER 75 HG SER 75 25.501 26.531 14.671 585 HA PRO 76 HA PRO 76 20.805 21.739 16.915 586 HB2 PRO 76 HB2 PRO 76 21.011 23.109 19.557 587 HB3 PRO 76 HB1 PRO 76 20.693 21.409 19.191 588 HG2 PRO 76 HG2 PRO 76 23.087 22.169 20.053 589 HG3 PRO 76 HG1 PRO 76 22.932 20.942 18.782 590 HD2 PRO 76 HD2 PRO 76 23.704 23.820 18.557 591 HD3 PRO 76 HD1 PRO 76 24.301 22.413 17.652 592 H GLU 77 HN GLU 77 21.097 25.045 18.261 593 HA GLU 77 HA GLU 77 18.334 25.609 18.236 594 HB2 GLU 77 HB2 GLU 77 20.017 26.871 19.540 595 HB3 GLU 77 HB1 GLU 77 20.655 27.538 18.045 596 HG2 GLU 77 HG2 GLU 77 18.466 28.602 17.632 597 HG3 GLU 77 HG1 GLU 77 17.914 27.999 19.195 598 H ASP 78 HN ASP 78 20.811 25.864 15.824 599 HA ASP 78 HA ASP 78 19.436 27.487 13.952 600 HB2 ASP 78 HB2 ASP 78 21.965 26.677 14.138 601 HB3 ASP 78 HB1 ASP 78 21.388 25.389 13.086 602 H VAL 79 HN VAL 79 19.853 24.005 14.339 603 HA VAL 79 HA VAL 79 18.212 23.158 12.226 604 HB VAL 79 HB VAL 79 18.750 21.727 14.836 605 HG11 VAL 79 HG11 VAL 79 17.871 20.647 12.161 606 HG12 VAL 79 HG12 VAL 79 16.873 20.764 13.610 607 HG13 VAL 79 HG13 VAL 79 18.267 19.685 13.583 608 HG21 VAL 79 HG21 VAL 79 20.238 21.621 12.212 609 HG22 VAL 79 HG22 VAL 79 20.558 20.603 13.617 610 HG23 VAL 79 HG23 VAL 79 20.820 22.344 13.713 611 H GLU 80 HN GLU 80 17.451 24.057 15.564 612 HA GLU 80 HA GLU 80 14.760 23.221 15.550 613 HB2 GLU 80 HB2 GLU 80 16.060 25.483 17.076 614 HB3 GLU 80 HB1 GLU 80 14.446 24.862 17.390 615 HG2 GLU 80 HG2 GLU 80 15.426 22.658 17.902 616 HG3 GLU 80 HG1 GLU 80 17.032 23.351 17.676 617 H ARG 81 HN ARG 81 16.299 26.245 14.566 618 HA ARG 81 HA ARG 81 13.964 27.695 13.964 619 HB2 ARG 81 HB2 ARG 81 16.198 28.728 14.112 620 HB3 ARG 81 HB1 ARG 81 16.687 27.872 12.658 621 HG2 ARG 81 HG2 ARG 81 14.799 29.083 11.475 622 HG3 ARG 81 HG1 ARG 81 14.679 30.090 12.919 623 HD2 ARG 81 HD2 ARG 81 16.071 31.192 11.280 624 HD3 ARG 81 HD1 ARG 81 17.059 30.697 12.655 625 HE ARG 81 HE ARG 81 16.977 29.300 10.048 626 HH11 ARG 81 HH11 ARG 81 18.698 30.288 12.945 627 HH12 ARG 81 HH12 ARG 81 20.165 29.457 12.501 628 HH21 ARG 81 HH21 ARG 81 18.878 28.233 9.486 629 HH22 ARG 81 HH22 ARG 81 20.256 28.259 10.549 630 H VAL 82 HN VAL 82 16.108 25.770 11.848 631 HA VAL 82 HA VAL 82 14.494 26.097 9.550 632 HB VAL 82 HB VAL 82 16.910 25.298 9.604 633 HG11 VAL 82 HG11 VAL 82 17.276 22.879 9.626 634 HG12 VAL 82 HG12 VAL 82 15.588 22.631 10.072 635 HG13 VAL 82 HG13 VAL 82 16.678 23.466 11.179 636 HG21 VAL 82 HG21 VAL 82 14.916 23.849 7.875 637 HG22 VAL 82 HG22 VAL 82 16.645 23.980 7.550 638 HG23 VAL 82 HG23 VAL 82 15.636 25.428 7.559 639 H ARG 83 HN ARG 83 14.443 23.731 12.152 640 HA ARG 83 HA ARG 83 12.578 21.941 11.079 641 HB2 ARG 83 HB2 ARG 83 13.849 21.494 13.143 642 HB3 ARG 83 HB1 ARG 83 12.965 22.763 13.971 643 HG2 ARG 83 HG2 ARG 83 11.445 20.510 12.749 644 HG3 ARG 83 HG1 ARG 83 12.307 20.244 14.263 645 HD2 ARG 83 HD2 ARG 83 11.056 21.971 15.352 646 HD3 ARG 83 HD1 ARG 83 10.335 22.483 13.827 647 HE ARG 83 HE ARG 83 9.426 20.019 13.925 648 HH11 ARG 83 HH11 ARG 83 9.758 22.250 16.597 649 HH12 ARG 83 HH12 ARG 83 8.339 21.682 17.416 650 HH21 ARG 83 HH21 ARG 83 7.564 19.266 14.977 651 HH22 ARG 83 HH22 ARG 83 7.073 19.976 16.494 652 H ALA 84 HN ALA 84 12.102 24.860 13.043 653 HA ALA 84 HA ALA 84 9.313 24.780 13.167 654 HB1 ALA 84 HB1 ALA 84 10.695 26.255 14.555 655 HB2 ALA 84 HB2 ALA 84 9.425 27.147 13.718 656 HB3 ALA 84 HB3 ALA 84 11.086 27.222 13.133 657 H ARG 85 HN ARG 85 11.462 26.305 10.776 658 HA ARG 85 HA ARG 85 9.381 27.459 9.237 659 HB2 ARG 85 HB2 ARG 85 12.263 26.917 8.825 660 HB3 ARG 85 HB1 ARG 85 11.295 27.149 7.375 661 HG2 ARG 85 HG2 ARG 85 12.311 29.233 8.103 662 HG3 ARG 85 HG1 ARG 85 10.551 29.317 8.204 663 HD2 ARG 85 HD2 ARG 85 10.751 28.748 10.629 664 HD3 ARG 85 HD1 ARG 85 12.499 28.907 10.463 665 HE ARG 85 HE ARG 85 11.182 31.228 9.507 666 HH11 ARG 85 HH11 ARG 85 12.062 29.576 12.454 667 HH12 ARG 85 HH12 ARG 85 12.128 31.023 13.409 668 HH21 ARG 85 HH21 ARG 85 11.222 33.141 10.754 669 HH22 ARG 85 HH22 ARG 85 11.639 33.055 12.441 670 H LEU 86 HN LEU 86 11.153 24.404 8.776 671 HA LEU 86 HA LEU 86 9.756 23.771 6.377 672 HB2 LEU 86 HB2 LEU 86 11.714 22.368 8.126 673 HB3 LEU 86 HB1 LEU 86 10.791 21.408 6.987 674 HG LEU 86 HG LEU 86 13.025 22.084 6.138 675 HD11 LEU 86 HD11 LEU 86 12.256 22.839 3.941 676 HD12 LEU 86 HD12 LEU 86 10.676 23.214 4.627 677 HD13 LEU 86 HD13 LEU 86 11.244 21.545 4.580 678 HD21 LEU 86 HD21 LEU 86 11.865 24.863 6.195 679 HD22 LEU 86 HD22 LEU 86 13.388 24.396 5.437 680 HD23 LEU 86 HD23 LEU 86 13.198 24.270 7.186 681 H ALA 87 HN ALA 87 9.245 22.972 9.757 682 HA ALA 87 HA ALA 87 7.473 20.801 9.358 683 HB1 ALA 87 HB1 ALA 87 6.821 21.115 11.682 684 HB2 ALA 87 HB2 ALA 87 7.618 22.688 11.704 685 HB3 ALA 87 HB3 ALA 87 8.573 21.219 11.502 686 H ALA 88 HN ALA 88 7.047 24.217 9.134 687 HA ALA 88 HA ALA 88 4.270 24.361 9.603 688 HB1 ALA 88 HB1 ALA 88 4.380 26.536 8.541 689 HB2 ALA 88 HB2 ALA 88 5.970 26.157 7.881 690 HB3 ALA 88 HB3 ALA 88 5.753 26.315 9.625 691 H GLN 89 HN GLN 89 6.099 23.239 6.895 692 HA GLN 89 HA GLN 89 3.684 23.243 5.220 693 HB2 GLN 89 HB2 GLN 89 6.607 23.177 4.596 694 HB3 GLN 89 HB1 GLN 89 5.482 22.453 3.458 695 HG2 GLN 89 HG2 GLN 89 5.932 24.683 2.758 696 HG3 GLN 89 HG1 GLN 89 4.276 24.614 3.349 697 HE21 GLN 89 HE21 GLN 89 7.466 25.838 3.899 698 HE22 GLN 89 HE22 GLN 89 7.044 26.972 5.133 699 H GLY 90 HN GLY 90 5.034 21.313 7.410 700 HA2 GLY 90 HA2 GLY 90 3.835 19.107 7.516 701 HA3 GLY 90 HA1 GLY 90 4.455 18.846 5.892 702 H TRP 91 HN TRP 91 5.004 16.961 7.761 703 HA TRP 91 HA TRP 91 7.893 17.248 8.028 704 HB2 TRP 91 HB2 TRP 91 6.621 17.943 10.200 705 HB3 TRP 91 HB1 TRP 91 6.360 16.214 10.396 706 HD1 TRP 91 HD1 TRP 91 8.251 14.912 11.578 707 HE1 TRP 91 HE1 TRP 91 10.679 15.446 12.275 708 HE3 TRP 91 HE3 TRP 91 8.759 19.455 9.297 709 HZ2 TRP 91 HZ2 TRP 91 12.550 17.529 11.897 710 HZ3 TRP 91 HZ3 TRP 91 10.896 20.654 9.512 711 HH2 TRP 91 HH2 TRP 91 12.750 19.710 10.786 712 HA PRO 92 HA PRO 92 6.753 13.093 6.564 713 HB2 PRO 92 HB2 PRO 92 8.583 12.909 4.617 714 HB3 PRO 92 HB1 PRO 92 7.120 13.881 4.425 715 HG2 PRO 92 HG2 PRO 92 9.912 14.748 5.008 716 HG3 PRO 92 HG1 PRO 92 8.679 15.529 4.003 717 HD2 PRO 92 HD2 PRO 92 9.327 16.235 6.621 718 HD3 PRO 92 HD1 PRO 92 7.840 16.687 5.768 719 H LEU 93 HN LEU 93 8.971 14.011 8.642 720 HA LEU 93 HA LEU 93 10.892 11.869 8.287 721 HB2 LEU 93 HB2 LEU 93 10.573 14.020 10.357 722 HB3 LEU 93 HB1 LEU 93 11.685 12.688 10.593 723 HG LEU 93 HG LEU 93 12.774 13.370 8.406 724 HD11 LEU 93 HD11 LEU 93 12.444 15.662 7.667 725 HD12 LEU 93 HD12 LEU 93 11.161 15.873 8.858 726 HD13 LEU 93 HD13 LEU 93 10.951 14.731 7.529 727 HD21 LEU 93 HD21 LEU 93 12.826 15.288 10.726 728 HD22 LEU 93 HD22 LEU 93 14.050 15.176 9.462 729 HD23 LEU 93 HD23 LEU 93 13.787 13.819 10.558 730 H ASP 94 HN ASP 94 8.097 12.593 10.266 731 HA ASP 94 HA ASP 94 8.438 10.009 11.630 732 HB2 ASP 94 HB2 ASP 94 8.348 12.103 13.044 733 HB3 ASP 94 HB1 ASP 94 6.680 12.304 12.515 734 H ASP 95 HN ASP 95 7.151 8.436 10.974 735 HA ASP 95 HA ASP 95 4.778 9.158 9.399 736 HB2 ASP 95 HB2 ASP 95 6.553 7.769 8.300 737 HB3 ASP 95 HB1 ASP 95 6.219 6.500 9.473 738 H VAL 96 HN VAL 96 2.830 8.009 9.675 739 HA VAL 96 HA VAL 96 2.485 6.959 12.408 740 HB VAL 96 HB VAL 96 0.399 8.303 10.672 741 HG11 VAL 96 HG11 VAL 96 0.323 7.423 13.557 742 HG12 VAL 96 HG12 VAL 96 -0.581 6.715 12.217 743 HG13 VAL 96 HG13 VAL 96 -0.931 8.360 12.746 744 HG21 VAL 96 HG21 VAL 96 2.106 9.901 11.368 745 HG22 VAL 96 HG22 VAL 96 1.905 9.397 13.047 746 HG23 VAL 96 HG23 VAL 96 0.582 10.202 12.204 747 H ARG 97 HN ARG 97 1.566 4.998 12.674 748 HA ARG 97 HA ARG 97 1.303 3.316 10.340 749 HB2 ARG 97 HB2 ARG 97 0.741 2.596 13.218 750 HB3 ARG 97 HB1 ARG 97 1.102 1.497 11.895 751 HG2 ARG 97 HG2 ARG 97 3.368 2.237 11.800 752 HG3 ARG 97 HG1 ARG 97 3.041 3.539 12.948 753 HD2 ARG 97 HD2 ARG 97 3.784 2.100 14.494 754 HD3 ARG 97 HD1 ARG 97 2.197 1.354 14.336 755 HE ARG 97 HE ARG 97 4.603 0.429 12.890 756 HH11 ARG 97 HH11 ARG 97 1.556 -0.197 14.499 757 HH12 ARG 97 HH12 ARG 97 1.724 -1.925 14.446 758 HH21 ARG 97 HH21 ARG 97 4.845 -1.856 12.833 759 HH22 ARG 97 HH22 ARG 97 3.611 -2.866 13.527 760 H ASP 98 HN ASP 98 -0.575 2.209 9.701 761 HA ASP 98 HA ASP 98 -3.009 3.689 10.181 762 HB2 ASP 98 HB2 ASP 98 -4.030 2.213 8.500 763 HB3 ASP 98 HB1 ASP 98 -2.536 2.924 7.907 764 H ARG 99 HN ARG 99 -5.060 2.531 10.655 765 HA ARG 99 HA ARG 99 -4.633 0.353 12.591 766 HB2 ARG 99 HB2 ARG 99 -6.412 2.785 12.856 767 HB3 ARG 99 HB1 ARG 99 -6.535 1.377 13.900 768 HG2 ARG 99 HG2 ARG 99 -4.073 3.083 13.609 769 HG3 ARG 99 HG1 ARG 99 -5.265 3.234 14.903 770 HD2 ARG 99 HD2 ARG 99 -3.574 0.813 14.296 771 HD3 ARG 99 HD1 ARG 99 -3.361 1.924 15.648 772 HE ARG 99 HE ARG 99 -5.959 0.638 15.496 773 HH11 ARG 99 HH11 ARG 99 -2.736 0.613 16.862 774 HH12 ARG 99 HH12 ARG 99 -3.146 -0.483 18.150 775 HH21 ARG 99 HH21 ARG 99 -6.509 -0.789 17.187 776 HH22 ARG 99 HH22 ARG 99 -5.293 -1.300 18.317 777 H GLU 100 HN GLU 100 -7.336 2.130 11.142 778 HA GLU 100 HA GLU 100 -8.221 -0.219 9.736 779 HB2 GLU 100 HB2 GLU 100 -10.481 -0.195 10.770 780 HB3 GLU 100 HB1 GLU 100 -9.214 -0.671 11.893 781 HG2 GLU 100 HG2 GLU 100 -9.223 1.546 12.875 782 HG3 GLU 100 HG1 GLU 100 -10.439 2.074 11.715 783 H GLU 101 HN GLU 101 -10.020 0.229 8.312 784 HA GLU 101 HA GLU 101 -10.515 3.094 7.855 785 HB2 GLU 101 HB2 GLU 101 -9.869 1.033 5.734 786 HB3 GLU 101 HB1 GLU 101 -10.362 2.692 5.418 787 HG2 GLU 101 HG2 GLU 101 -8.361 3.538 6.428 788 HG3 GLU 101 HG1 GLU 101 -7.892 1.922 6.951 789 H HIS 102 HN HIS 102 -12.612 3.558 7.623 790 HA HIS 102 HA HIS 102 -14.493 1.353 7.755 791 HB2 HIS 102 HB2 HIS 102 -16.209 3.110 8.117 792 HB3 HIS 102 HB1 HIS 102 -14.892 3.176 9.275 793 HD1 HIS 102 HD1 HIS 102 -13.327 5.229 9.187 794 HD2 HIS 102 HD2 HIS 102 -16.463 5.351 6.455 795 HE1 HIS 102 HE1 HIS 102 -13.433 7.612 8.381 796 HE2 HIS 102 HE2 HIS 102 -15.471 7.705 6.904 797 H ALA 103 HN ALA 103 -12.944 2.392 5.283 798 HA ALA 103 HA ALA 103 -15.238 2.504 3.455 799 HB1 ALA 103 HB1 ALA 103 -12.339 3.153 2.925 800 HB2 ALA 103 HB2 ALA 103 -13.623 4.328 3.213 801 HB3 ALA 103 HB3 ALA 103 -13.665 3.310 1.773 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 0.637 -0.124 -5.152 2 H2 GLY 1 HT2 GLY 1 0.767 1.112 -3.994 3 H3 GLY 1 HT3 GLY 1 1.941 -0.105 -4.071 4 HA2 GLY 1 HA1 GLY 1 2.675 0.648 -6.215 5 HA3 GLY 1 HA2 GLY 1 1.404 1.861 -6.223 6 H SER 2 HN SER 2 4.341 0.826 -4.575 7 HA SER 2 HA SER 2 4.731 3.612 -3.705 8 HB2 SER 2 HB2 SER 2 5.606 1.138 -2.192 9 HB3 SER 2 HB1 SER 2 5.747 2.812 -1.655 10 HG SER 2 HG SER 2 3.449 1.197 -1.886 11 H HIS 3 HN HIS 3 6.466 4.498 -4.631 12 HA HIS 3 HA HIS 3 8.744 2.754 -5.251 13 HB2 HIS 3 HB2 HIS 3 7.442 4.734 -7.119 14 HB3 HIS 3 HB1 HIS 3 9.052 4.068 -7.386 15 HD1 HIS 3 HD1 HIS 3 5.675 3.513 -8.342 16 HD2 HIS 3 HD2 HIS 3 8.870 1.039 -7.353 17 HE1 HIS 3 HE1 HIS 3 5.098 1.249 -9.281 18 HE2 HIS 3 HE2 HIS 3 7.116 -0.193 -8.805 19 H MET 4 HN MET 4 10.752 3.682 -5.150 20 HA MET 4 HA MET 4 11.027 5.514 -3.044 21 HB2 MET 4 HB2 MET 4 13.120 4.578 -5.012 22 HB3 MET 4 HB1 MET 4 13.441 5.362 -3.473 23 HG2 MET 4 HG2 MET 4 13.796 3.053 -3.155 24 HG3 MET 4 HG1 MET 4 12.273 3.446 -2.360 25 HE1 MET 4 HE1 MET 4 13.143 0.455 -3.004 26 HE2 MET 4 HE2 MET 4 11.614 -0.191 -3.599 27 HE3 MET 4 HE3 MET 4 11.631 0.909 -2.220 28 H ASN 5 HN ASN 5 11.135 5.940 -6.506 29 HA ASN 5 HA ASN 5 12.580 8.291 -6.743 30 HB2 ASN 5 HB2 ASN 5 11.987 7.070 -8.705 31 HB3 ASN 5 HB1 ASN 5 10.268 7.231 -8.366 32 HD21 ASN 5 HD21 ASN 5 13.145 8.883 -9.459 33 HD22 ASN 5 HD22 ASN 5 12.327 10.216 -10.202 34 H ARG 6 HN ARG 6 9.199 7.875 -5.850 35 HA ARG 6 HA ARG 6 8.465 10.589 -6.244 36 HB2 ARG 6 HB2 ARG 6 7.179 8.362 -4.678 37 HB3 ARG 6 HB1 ARG 6 6.467 9.961 -4.840 38 HG2 ARG 6 HG2 ARG 6 6.397 9.686 -7.266 39 HG3 ARG 6 HG1 ARG 6 7.097 8.073 -7.098 40 HD2 ARG 6 HD2 ARG 6 4.630 8.068 -7.366 41 HD3 ARG 6 HD1 ARG 6 5.182 7.307 -5.874 42 HE ARG 6 HE ARG 6 4.529 10.090 -5.565 43 HH11 ARG 6 HH11 ARG 6 3.261 6.826 -5.561 44 HH12 ARG 6 HH12 ARG 6 1.872 7.225 -4.592 45 HH21 ARG 6 HH21 ARG 6 2.736 10.613 -4.269 46 HH22 ARG 6 HH22 ARG 6 1.570 9.392 -3.870 47 H PHE 7 HN PHE 7 9.790 8.824 -3.525 48 HA PHE 7 HA PHE 7 9.056 10.605 -1.479 49 HB2 PHE 7 HB2 PHE 7 9.950 8.293 -1.126 50 HB3 PHE 7 HB1 PHE 7 11.546 8.890 -1.572 51 HD1 PHE 7 HD2 PHE 7 8.774 9.530 0.825 52 HD2 PHE 7 HD1 PHE 7 12.961 9.683 0.080 53 HE1 PHE 7 HE2 PHE 7 9.162 10.194 3.162 54 HE2 PHE 7 HE1 PHE 7 13.356 10.350 2.413 55 HZ PHE 7 HZ PHE 7 11.456 10.607 3.959 56 H LEU 8 HN LEU 8 11.971 10.427 -3.485 57 HA LEU 8 HA LEU 8 13.382 12.536 -2.325 58 HB2 LEU 8 HB2 LEU 8 13.376 11.435 -5.126 59 HB3 LEU 8 HB1 LEU 8 14.410 12.772 -4.666 60 HG LEU 8 HG LEU 8 15.390 11.256 -2.889 61 HD11 LEU 8 HD11 LEU 8 15.160 8.847 -3.237 62 HD12 LEU 8 HD12 LEU 8 13.934 9.146 -4.469 63 HD13 LEU 8 HD13 LEU 8 13.625 9.593 -2.791 64 HD21 LEU 8 HD21 LEU 8 16.552 11.783 -4.963 65 HD22 LEU 8 HD22 LEU 8 15.718 10.460 -5.777 66 HD23 LEU 8 HD23 LEU 8 16.856 10.116 -4.476 67 H THR 9 HN THR 9 11.148 12.555 -5.086 68 HA THR 9 HA THR 9 11.310 15.294 -5.641 69 HB THR 9 HB THR 9 8.979 13.426 -6.128 70 HG1 THR 9 HG1 THR 9 11.395 13.964 -7.529 71 HG21 THR 9 HG21 THR 9 8.402 14.954 -7.949 72 HG22 THR 9 HG22 THR 9 9.742 16.009 -7.501 73 HG23 THR 9 HG23 THR 9 8.383 15.797 -6.398 74 H SER 10 HN SER 10 9.179 13.485 -3.452 75 HA SER 10 HA SER 10 7.490 15.639 -2.783 76 HB2 SER 10 HB2 SER 10 7.029 13.217 -2.303 77 HB3 SER 10 HB1 SER 10 8.221 13.302 -1.006 78 HG SER 10 HG SER 10 6.880 15.100 -0.188 79 H ILE 11 HN ILE 11 10.514 14.460 -1.352 80 HA ILE 11 HA ILE 11 10.641 16.279 0.790 81 HB ILE 11 HB ILE 11 12.899 15.006 -0.768 82 HG12 ILE 11 HG12 ILE 11 11.438 13.368 0.290 83 HG13 ILE 11 HG11 ILE 11 12.983 13.430 1.132 84 HG21 ILE 11 HG21 ILE 11 14.304 15.497 1.175 85 HG22 ILE 11 HG22 ILE 11 12.968 16.380 1.914 86 HG23 ILE 11 HG23 ILE 11 13.695 16.971 0.420 87 HD11 ILE 11 HD11 ILE 11 11.117 13.250 2.684 88 HD12 ILE 11 HD12 ILE 11 10.429 14.742 2.043 89 HD13 ILE 11 HD13 ILE 11 11.973 14.776 2.893 90 H VAL 12 HN VAL 12 11.903 16.491 -2.512 91 HA VAL 12 HA VAL 12 13.116 18.981 -2.402 92 HB VAL 12 HB VAL 12 11.606 17.773 -4.728 93 HG11 VAL 12 HG11 VAL 12 12.016 20.159 -5.049 94 HG12 VAL 12 HG12 VAL 12 13.005 19.188 -6.140 95 HG13 VAL 12 HG13 VAL 12 13.730 19.915 -4.706 96 HG21 VAL 12 HG21 VAL 12 13.752 16.914 -5.447 97 HG22 VAL 12 HG22 VAL 12 13.371 16.319 -3.832 98 HG23 VAL 12 HG23 VAL 12 14.538 17.626 -4.038 99 H ALA 13 HN ALA 13 9.732 18.201 -3.177 100 HA ALA 13 HA ALA 13 8.846 20.825 -3.638 101 HB1 ALA 13 HB1 ALA 13 7.278 18.477 -2.573 102 HB2 ALA 13 HB2 ALA 13 7.556 18.844 -4.275 103 HB3 ALA 13 HB3 ALA 13 6.596 19.940 -3.281 104 H TRP 14 HN TRP 14 8.919 18.868 -0.703 105 HA TRP 14 HA TRP 14 7.706 20.696 1.040 106 HB2 TRP 14 HB2 TRP 14 7.931 18.427 1.706 107 HB3 TRP 14 HB1 TRP 14 9.666 18.439 1.435 108 HD1 TRP 14 HD1 TRP 14 7.438 20.688 3.719 109 HE1 TRP 14 HE1 TRP 14 8.452 20.618 6.087 110 HE3 TRP 14 HE3 TRP 14 11.312 17.484 2.827 111 HZ2 TRP 14 HZ2 TRP 14 10.632 19.362 7.393 112 HZ3 TRP 14 HZ3 TRP 14 12.814 16.897 4.680 113 HH2 TRP 14 HH2 TRP 14 12.483 17.811 6.914 114 H LEU 15 HN LEU 15 11.136 20.185 0.251 115 HA LEU 15 HA LEU 15 12.170 22.061 2.072 116 HB2 LEU 15 HB2 LEU 15 13.334 21.147 -0.557 117 HB3 LEU 15 HB1 LEU 15 14.211 22.001 0.696 118 HG LEU 15 HG LEU 15 13.085 19.206 0.848 119 HD11 LEU 15 HD11 LEU 15 15.901 20.282 0.957 120 HD12 LEU 15 HD12 LEU 15 15.169 19.390 -0.377 121 HD13 LEU 15 HD13 LEU 15 15.436 18.596 1.174 122 HD21 LEU 15 HD21 LEU 15 12.733 20.305 2.985 123 HD22 LEU 15 HD22 LEU 15 14.411 20.855 3.003 124 HD23 LEU 15 HD23 LEU 15 14.047 19.133 3.112 125 H ARG 16 HN ARG 16 11.363 22.408 -1.386 126 HA ARG 16 HA ARG 16 12.202 25.117 -1.502 127 HB2 ARG 16 HB2 ARG 16 11.127 25.218 -3.669 128 HB3 ARG 16 HB1 ARG 16 12.006 23.705 -3.516 129 HG2 ARG 16 HG2 ARG 16 9.895 22.554 -3.013 130 HG3 ARG 16 HG1 ARG 16 9.034 24.078 -3.234 131 HD2 ARG 16 HD2 ARG 16 9.862 24.186 -5.547 132 HD3 ARG 16 HD1 ARG 16 10.666 22.633 -5.317 133 HE ARG 16 HE ARG 16 7.780 22.752 -4.860 134 HH11 ARG 16 HH11 ARG 16 10.442 21.793 -6.938 135 HH12 ARG 16 HH12 ARG 16 9.473 20.679 -7.861 136 HH21 ARG 16 HH21 ARG 16 6.515 21.332 -6.081 137 HH22 ARG 16 HH22 ARG 16 7.229 20.451 -7.397 138 H ALA 17 HN ALA 17 9.098 23.577 -0.816 139 HA ALA 17 HA ALA 17 7.548 25.941 -0.762 140 HB1 ALA 17 HB1 ALA 17 7.135 23.379 0.780 141 HB2 ALA 17 HB2 ALA 17 6.545 23.708 -0.848 142 HB3 ALA 17 HB3 ALA 17 5.927 24.635 0.518 143 H GLY 18 HN GLY 18 9.608 24.345 1.576 144 HA2 GLY 18 HA2 GLY 18 8.955 25.890 3.839 145 HA3 GLY 18 HA1 GLY 18 10.475 25.051 3.575 146 H TYR 19 HN TYR 19 10.953 26.592 1.058 147 HA TYR 19 HA TYR 19 11.470 29.246 2.193 148 HB2 TYR 19 HB2 TYR 19 13.523 27.384 1.019 149 HB3 TYR 19 HB1 TYR 19 13.767 29.125 1.043 150 HD1 TYR 19 HD2 TYR 19 13.933 30.315 3.218 151 HD2 TYR 19 HD1 TYR 19 13.822 26.063 2.995 152 HE1 TYR 19 HE2 TYR 19 14.816 30.173 5.508 153 HE2 TYR 19 HE1 TYR 19 14.705 25.916 5.276 154 HH TYR 19 HH TYR 19 16.084 27.372 6.804 155 HA PRO 20 HA PRO 20 9.816 29.585 -2.099 156 HB2 PRO 20 HB2 PRO 20 8.079 31.588 -1.580 157 HB3 PRO 20 HB1 PRO 20 7.685 29.891 -1.273 158 HG2 PRO 20 HG2 PRO 20 8.587 32.005 0.644 159 HG3 PRO 20 HG1 PRO 20 7.326 30.774 0.845 160 HD2 PRO 20 HD2 PRO 20 9.836 30.535 1.888 161 HD3 PRO 20 HD1 PRO 20 8.836 29.146 1.422 162 H GLU 21 HN GLU 21 11.816 31.250 -0.170 163 HA GLU 21 HA GLU 21 12.114 33.531 -2.007 164 HB2 GLU 21 HB2 GLU 21 13.261 34.648 -0.099 165 HB3 GLU 21 HB1 GLU 21 11.581 34.255 0.243 166 HG2 GLU 21 HG2 GLU 21 12.424 32.173 1.382 167 HG3 GLU 21 HG1 GLU 21 14.044 32.847 1.232 168 H GLY 22 HN GLY 22 13.294 30.573 -1.481 169 HA2 GLY 22 HA2 GLY 22 15.262 29.645 -2.361 170 HA3 GLY 22 HA1 GLY 22 15.967 31.255 -2.423 171 H ILE 23 HN ILE 23 16.725 28.521 -1.195 172 HA ILE 23 HA ILE 23 16.821 28.993 1.628 173 HB ILE 23 HB ILE 23 18.454 27.021 0.020 174 HG12 ILE 23 HG12 ILE 23 15.798 26.625 1.415 175 HG13 ILE 23 HG11 ILE 23 16.021 26.729 -0.329 176 HG21 ILE 23 HG21 ILE 23 18.609 25.799 2.158 177 HG22 ILE 23 HG22 ILE 23 17.755 27.119 2.962 178 HG23 ILE 23 HG23 ILE 23 19.345 27.399 2.250 179 HD11 ILE 23 HD11 ILE 23 17.387 24.710 -0.274 180 HD12 ILE 23 HD12 ILE 23 15.776 24.425 0.394 181 HD13 ILE 23 HD13 ILE 23 17.160 24.604 1.471 182 HA PRO 24 HA PRO 24 20.527 31.545 1.428 183 HB2 PRO 24 HB2 PRO 24 20.531 32.190 4.054 184 HB3 PRO 24 HB1 PRO 24 19.441 32.959 2.894 185 HG2 PRO 24 HG2 PRO 24 18.890 30.756 4.843 186 HG3 PRO 24 HG1 PRO 24 17.886 32.156 4.418 187 HD2 PRO 24 HD2 PRO 24 17.486 29.648 3.412 188 HD3 PRO 24 HD1 PRO 24 17.036 31.133 2.552 189 HA PRO 25 HA PRO 25 23.535 28.683 2.984 190 HB2 PRO 25 HB2 PRO 25 25.671 30.228 3.428 191 HB3 PRO 25 HB1 PRO 25 25.018 30.011 1.800 192 HG2 PRO 25 HG2 PRO 25 24.645 32.295 3.701 193 HG3 PRO 25 HG1 PRO 25 24.966 32.334 1.956 194 HD2 PRO 25 HD2 PRO 25 22.473 32.632 3.069 195 HD3 PRO 25 HD1 PRO 25 22.761 32.024 1.427 196 H THR 26 HN THR 26 21.735 30.028 5.083 197 HA THR 26 HA THR 26 23.600 29.866 7.355 198 HB THR 26 HB THR 26 22.727 32.131 7.091 199 HG1 THR 26 HG1 THR 26 21.980 30.558 9.303 200 HG21 THR 26 HG21 THR 26 20.002 30.879 7.446 201 HG22 THR 26 HG22 THR 26 20.618 31.617 5.967 202 HG23 THR 26 HG23 THR 26 20.342 32.609 7.399 203 H ASP 27 HN ASP 27 21.060 28.282 5.874 204 HA ASP 27 HA ASP 27 20.331 26.953 8.403 205 HB2 ASP 27 HB2 ASP 27 18.039 26.780 7.670 206 HB3 ASP 27 HB1 ASP 27 18.521 28.467 7.559 207 H SER 28 HN SER 28 21.751 26.603 5.466 208 HA SER 28 HA SER 28 20.620 24.292 4.374 209 HB2 SER 28 HB2 SER 28 22.918 24.089 3.272 210 HB3 SER 28 HB1 SER 28 22.036 25.595 3.002 211 HG SER 28 HG SER 28 24.331 25.757 3.649 212 H PHE 29 HN PHE 29 23.110 24.721 6.823 213 HA PHE 29 HA PHE 29 23.925 22.005 6.925 214 HB2 PHE 29 HB2 PHE 29 24.173 24.257 8.923 215 HB3 PHE 29 HB1 PHE 29 24.828 22.653 9.210 216 HD1 PHE 29 HD1 PHE 29 24.864 24.497 5.984 217 HD2 PHE 29 HD2 PHE 29 27.115 23.118 9.312 218 HE1 PHE 29 HE1 PHE 29 26.934 25.187 4.861 219 HE2 PHE 29 HE2 PHE 29 29.192 23.798 8.194 220 HZ PHE 29 HZ PHE 29 29.104 24.835 5.965 221 H ALA 30 HN ALA 30 21.483 23.892 8.619 222 HA ALA 30 HA ALA 30 20.609 21.864 10.368 223 HB1 ALA 30 HB1 ALA 30 18.579 23.192 10.582 224 HB2 ALA 30 HB2 ALA 30 19.058 24.158 9.186 225 HB3 ALA 30 HB3 ALA 30 20.018 24.206 10.665 226 H VAL 31 HN VAL 31 19.509 22.845 7.130 227 HA VAL 31 HA VAL 31 17.464 21.025 6.740 228 HB VAL 31 HB VAL 31 19.526 21.902 4.704 229 HG11 VAL 31 HG11 VAL 31 16.802 20.679 4.256 230 HG12 VAL 31 HG12 VAL 31 18.344 19.848 4.039 231 HG13 VAL 31 HG13 VAL 31 17.928 21.221 3.008 232 HG21 VAL 31 HG21 VAL 31 18.321 23.777 5.667 233 HG22 VAL 31 HG22 VAL 31 16.781 22.984 5.336 234 HG23 VAL 31 HG23 VAL 31 17.806 23.512 4.001 235 H LEU 32 HN LEU 32 20.915 20.560 5.989 236 HA LEU 32 HA LEU 32 20.613 17.865 5.210 237 HB2 LEU 32 HB2 LEU 32 22.970 17.755 5.110 238 HB3 LEU 32 HB1 LEU 32 22.507 19.361 4.587 239 HG LEU 32 HG LEU 32 22.982 19.942 7.126 240 HD11 LEU 32 HD11 LEU 32 23.414 17.565 7.661 241 HD12 LEU 32 HD12 LEU 32 24.749 18.647 8.073 242 HD13 LEU 32 HD13 LEU 32 24.844 17.634 6.631 243 HD21 LEU 32 HD21 LEU 32 25.207 20.626 6.487 244 HD22 LEU 32 HD22 LEU 32 24.089 20.912 5.152 245 HD23 LEU 32 HD23 LEU 32 25.182 19.527 5.107 246 H ALA 33 HN ALA 33 21.162 19.373 8.332 247 HA ALA 33 HA ALA 33 21.850 17.046 9.767 248 HB1 ALA 33 HB1 ALA 33 20.344 19.448 10.793 249 HB2 ALA 33 HB2 ALA 33 22.092 19.347 10.635 250 HB3 ALA 33 HB3 ALA 33 21.248 18.279 11.754 251 H LEU 34 HN LEU 34 18.695 18.610 9.261 252 HA LEU 34 HA LEU 34 17.219 16.658 10.688 253 HB2 LEU 34 HB2 LEU 34 16.527 18.864 8.805 254 HB3 LEU 34 HB1 LEU 34 15.305 17.660 9.159 255 HG LEU 34 HG LEU 34 14.950 19.515 10.616 256 HD11 LEU 34 HD11 LEU 34 14.602 17.330 11.621 257 HD12 LEU 34 HD12 LEU 34 15.192 18.480 12.821 258 HD13 LEU 34 HD13 LEU 34 16.289 17.281 12.135 259 HD21 LEU 34 HD21 LEU 34 17.824 19.225 11.479 260 HD22 LEU 34 HD22 LEU 34 16.646 20.355 12.148 261 HD23 LEU 34 HD23 LEU 34 17.172 20.519 10.473 262 H LEU 35 HN LEU 35 17.974 17.078 7.263 263 HA LEU 35 HA LEU 35 16.387 14.901 6.382 264 HB2 LEU 35 HB2 LEU 35 18.719 16.319 5.110 265 HB3 LEU 35 HB1 LEU 35 17.819 15.045 4.311 266 HG LEU 35 HG LEU 35 16.731 17.720 5.189 267 HD11 LEU 35 HD11 LEU 35 17.185 16.536 2.455 268 HD12 LEU 35 HD12 LEU 35 18.140 17.817 3.201 269 HD13 LEU 35 HD13 LEU 35 16.446 18.101 2.797 270 HD21 LEU 35 HD21 LEU 35 14.653 17.020 4.113 271 HD22 LEU 35 HD22 LEU 35 15.059 15.963 5.466 272 HD23 LEU 35 HD23 LEU 35 15.342 15.425 3.810 273 H CYS 36 HN CYS 36 19.667 15.160 7.572 274 HA CYS 36 HA CYS 36 20.649 12.702 6.632 275 HB2 CYS 36 HB2 CYS 36 22.091 14.478 7.555 276 HB3 CYS 36 HB1 CYS 36 21.446 14.154 9.161 277 HG CYS 36 HG CYS 36 22.371 11.287 8.515 278 H ARG 37 HN ARG 37 18.496 13.376 9.289 279 HA ARG 37 HA ARG 37 18.910 10.773 10.489 280 HB2 ARG 37 HB2 ARG 37 16.810 12.878 11.032 281 HB3 ARG 37 HB1 ARG 37 16.980 11.382 11.937 282 HG2 ARG 37 HG2 ARG 37 19.362 12.154 12.428 283 HG3 ARG 37 HG1 ARG 37 18.829 13.735 11.855 284 HD2 ARG 37 HD2 ARG 37 18.587 13.669 14.241 285 HD3 ARG 37 HD1 ARG 37 16.979 13.645 13.516 286 HE ARG 37 HE ARG 37 18.248 11.111 14.316 287 HH11 ARG 37 HH11 ARG 37 15.681 13.478 14.744 288 HH12 ARG 37 HH12 ARG 37 14.737 12.443 15.768 289 HH21 ARG 37 HH21 ARG 37 16.972 9.754 15.652 290 HH22 ARG 37 HH22 ARG 37 15.463 10.353 16.289 291 H ARG 38 HN ARG 38 17.117 12.070 7.940 292 HA ARG 38 HA ARG 38 15.116 9.933 7.999 293 HB2 ARG 38 HB2 ARG 38 14.439 12.321 7.551 294 HB3 ARG 38 HB1 ARG 38 15.369 12.249 6.062 295 HG2 ARG 38 HG2 ARG 38 12.980 11.923 5.667 296 HG3 ARG 38 HG1 ARG 38 13.915 10.498 5.210 297 HD2 ARG 38 HD2 ARG 38 13.098 9.236 6.930 298 HD3 ARG 38 HD1 ARG 38 12.813 10.633 7.966 299 HE ARG 38 HE ARG 38 10.942 11.099 6.249 300 HH11 ARG 38 HH11 ARG 38 11.973 7.895 7.220 301 HH12 ARG 38 HH12 ARG 38 10.377 7.225 7.120 302 HH21 ARG 38 HH21 ARG 38 8.860 10.213 6.089 303 HH22 ARG 38 HH22 ARG 38 8.597 8.530 6.455 304 H LEU 39 HN LEU 39 17.582 11.345 5.902 305 HA LEU 39 HA LEU 39 17.908 8.750 4.559 306 HB2 LEU 39 HB2 LEU 39 17.896 11.471 3.240 307 HB3 LEU 39 HB1 LEU 39 18.274 9.958 2.442 308 HG LEU 39 HG LEU 39 15.591 10.566 3.681 309 HD11 LEU 39 HD11 LEU 39 16.041 12.103 1.840 310 HD12 LEU 39 HD12 LEU 39 14.811 10.922 1.391 311 HD13 LEU 39 HD13 LEU 39 16.462 10.743 0.798 312 HD21 LEU 39 HD21 LEU 39 16.496 8.405 1.778 313 HD22 LEU 39 HD22 LEU 39 14.851 8.647 2.366 314 HD23 LEU 39 HD23 LEU 39 16.131 8.187 3.490 315 H SER 40 HN SER 40 20.086 8.570 3.515 316 HA SER 40 HA SER 40 22.011 9.613 5.420 317 HB2 SER 40 HB2 SER 40 21.949 7.191 4.848 318 HB3 SER 40 HB1 SER 40 22.444 7.599 3.206 319 HG SER 40 HG SER 40 23.974 7.261 5.381 320 H HIS 41 HN HIS 41 24.314 9.821 4.270 321 HA HIS 41 HA HIS 41 24.312 12.430 3.342 322 HB2 HIS 41 HB2 HIS 41 26.739 11.985 2.754 323 HB3 HIS 41 HB1 HIS 41 26.259 11.670 4.416 324 HD1 HIS 41 HD1 HIS 41 26.549 9.330 5.299 325 HD2 HIS 41 HD2 HIS 41 27.244 9.612 1.203 326 HE1 HIS 41 HE1 HIS 41 27.526 7.111 4.617 327 HE2 HIS 41 HE2 HIS 41 27.926 7.291 2.134 328 H ASP 42 HN ASP 42 24.295 9.470 1.392 329 HA ASP 42 HA ASP 42 25.019 10.837 -1.020 330 HB2 ASP 42 HB2 ASP 42 25.360 8.422 -0.792 331 HB3 ASP 42 HB1 ASP 42 23.623 8.181 -0.639 332 H GLU 43 HN GLU 43 21.993 9.854 0.484 333 HA GLU 43 HA GLU 43 20.291 10.702 -1.592 334 HB2 GLU 43 HB2 GLU 43 19.728 10.483 1.366 335 HB3 GLU 43 HB1 GLU 43 18.507 10.670 0.117 336 HG2 GLU 43 HG2 GLU 43 18.412 8.425 0.425 337 HG3 GLU 43 HG1 GLU 43 19.637 8.493 -0.840 338 H VAL 44 HN VAL 44 21.506 12.381 1.305 339 HA VAL 44 HA VAL 44 20.039 14.762 0.767 340 HB VAL 44 HB VAL 44 21.433 15.870 2.437 341 HG11 VAL 44 HG11 VAL 44 20.882 14.448 4.356 342 HG12 VAL 44 HG12 VAL 44 20.575 13.099 3.262 343 HG13 VAL 44 HG13 VAL 44 19.556 14.537 3.198 344 HG21 VAL 44 HG21 VAL 44 23.191 14.635 3.629 345 HG22 VAL 44 HG22 VAL 44 23.592 14.905 1.933 346 HG23 VAL 44 HG23 VAL 44 23.035 13.319 2.466 347 H LYS 45 HN LYS 45 23.232 13.606 -0.135 348 HA LYS 45 HA LYS 45 24.197 15.925 -1.387 349 HB2 LYS 45 HB2 LYS 45 25.723 14.138 -1.068 350 HB3 LYS 45 HB1 LYS 45 24.657 12.984 -1.854 351 HG2 LYS 45 HG2 LYS 45 25.081 14.070 -4.012 352 HG3 LYS 45 HG1 LYS 45 26.173 15.204 -3.211 353 HD2 LYS 45 HD2 LYS 45 27.705 13.491 -2.660 354 HD3 LYS 45 HD1 LYS 45 26.540 12.224 -3.040 355 HE2 LYS 45 HE2 LYS 45 28.229 12.391 -4.777 356 HE3 LYS 45 HE1 LYS 45 26.643 12.837 -5.403 357 HZ1 LYS 45 HZ1 LYS 45 27.225 15.091 -5.447 358 HZ2 LYS 45 HZ2 LYS 45 28.585 14.286 -6.061 359 HZ3 LYS 45 HZ3 LYS 45 28.588 14.868 -4.465 360 H ALA 46 HN ALA 46 22.086 13.339 -2.532 361 HA ALA 46 HA ALA 46 21.836 14.267 -5.195 362 HB1 ALA 46 HB1 ALA 46 19.941 12.763 -5.358 363 HB2 ALA 46 HB2 ALA 46 19.888 12.608 -3.601 364 HB3 ALA 46 HB3 ALA 46 21.270 11.981 -4.500 365 H VAL 47 HN VAL 47 19.689 14.684 -2.361 366 HA VAL 47 HA VAL 47 17.752 16.173 -3.802 367 HB VAL 47 HB VAL 47 17.233 14.936 -1.719 368 HG11 VAL 47 HG11 VAL 47 17.715 15.931 0.452 369 HG12 VAL 47 HG12 VAL 47 18.655 17.200 -0.332 370 HG13 VAL 47 HG13 VAL 47 19.198 15.524 -0.409 371 HG21 VAL 47 HG21 VAL 47 16.552 17.870 -1.660 372 HG22 VAL 47 HG22 VAL 47 15.695 16.599 -0.789 373 HG23 VAL 47 HG23 VAL 47 15.694 16.614 -2.553 374 H ALA 48 HN ALA 48 20.582 17.154 -1.937 375 HA ALA 48 HA ALA 48 19.983 19.915 -1.861 376 HB1 ALA 48 HB1 ALA 48 22.700 18.598 -1.885 377 HB2 ALA 48 HB2 ALA 48 21.713 18.889 -0.452 378 HB3 ALA 48 HB3 ALA 48 22.345 20.250 -1.380 379 H ASN 49 HN ASN 49 21.848 17.947 -4.139 380 HA ASN 49 HA ASN 49 22.559 20.022 -5.905 381 HB2 ASN 49 HB2 ASN 49 23.647 17.823 -5.919 382 HB3 ASN 49 HB1 ASN 49 22.149 17.075 -6.462 383 HD21 ASN 49 HD21 ASN 49 24.862 19.052 -7.357 384 HD22 ASN 49 HD22 ASN 49 24.601 18.984 -9.066 385 H GLU 50 HN GLU 50 19.836 17.771 -5.879 386 HA GLU 50 HA GLU 50 18.491 18.597 -8.173 387 HB2 GLU 50 HB2 GLU 50 17.760 16.633 -7.049 388 HB3 GLU 50 HB1 GLU 50 17.527 17.496 -5.535 389 HG2 GLU 50 HG2 GLU 50 15.385 17.108 -6.350 390 HG3 GLU 50 HG1 GLU 50 15.710 18.797 -6.724 391 H LEU 51 HN LEU 51 18.202 19.793 -4.845 392 HA LEU 51 HA LEU 51 16.180 21.678 -5.361 393 HB2 LEU 51 HB2 LEU 51 17.207 20.661 -3.152 394 HB3 LEU 51 HB1 LEU 51 18.206 22.100 -3.206 395 HG LEU 51 HG LEU 51 16.270 22.389 -1.735 396 HD11 LEU 51 HD11 LEU 51 16.092 24.090 -4.213 397 HD12 LEU 51 HD12 LEU 51 17.164 24.361 -2.839 398 HD13 LEU 51 HD13 LEU 51 15.417 24.486 -2.631 399 HD21 LEU 51 HD21 LEU 51 14.011 22.495 -2.670 400 HD22 LEU 51 HD22 LEU 51 14.722 20.890 -2.833 401 HD23 LEU 51 HD23 LEU 51 14.640 21.963 -4.230 402 H MET 52 HN MET 52 19.720 21.916 -5.399 403 HA MET 52 HA MET 52 19.876 24.696 -5.824 404 HB2 MET 52 HB2 MET 52 21.759 22.442 -6.461 405 HB3 MET 52 HB1 MET 52 22.132 24.102 -6.908 406 HG2 MET 52 HG2 MET 52 21.869 24.736 -4.517 407 HG3 MET 52 HG1 MET 52 21.685 23.024 -4.138 408 HE1 MET 52 HE1 MET 52 23.910 25.131 -2.951 409 HE2 MET 52 HE2 MET 52 25.293 24.041 -2.851 410 HE3 MET 52 HE3 MET 52 23.691 23.479 -2.370 411 H ARG 53 HN ARG 53 19.306 22.034 -8.020 412 HA ARG 53 HA ARG 53 19.739 23.300 -10.471 413 HB2 ARG 53 HB2 ARG 53 17.784 21.155 -9.664 414 HB3 ARG 53 HB1 ARG 53 17.949 21.706 -11.324 415 HG2 ARG 53 HG2 ARG 53 20.151 20.496 -9.667 416 HG3 ARG 53 HG1 ARG 53 19.194 19.647 -10.884 417 HD2 ARG 53 HD2 ARG 53 19.984 21.583 -12.442 418 HD3 ARG 53 HD1 ARG 53 21.255 21.779 -11.237 419 HE ARG 53 HE ARG 53 21.277 19.113 -11.812 420 HH11 ARG 53 HH11 ARG 53 21.629 22.067 -13.649 421 HH12 ARG 53 HH12 ARG 53 22.522 21.322 -14.939 422 HH21 ARG 53 HH21 ARG 53 22.464 18.113 -13.481 423 HH22 ARG 53 HH22 ARG 53 23.025 19.064 -14.831 424 H LEU 54 HN LEU 54 17.166 23.670 -8.178 425 HA LEU 54 HA LEU 54 15.281 24.831 -9.996 426 HB2 LEU 54 HB2 LEU 54 14.641 23.690 -7.886 427 HB3 LEU 54 HB1 LEU 54 15.392 24.990 -6.982 428 HG LEU 54 HG LEU 54 13.761 26.577 -8.013 429 HD11 LEU 54 HD11 LEU 54 11.765 25.661 -9.082 430 HD12 LEU 54 HD12 LEU 54 12.468 24.045 -9.017 431 HD13 LEU 54 HD13 LEU 54 13.220 25.293 -10.010 432 HD21 LEU 54 HD21 LEU 54 11.870 25.868 -6.626 433 HD22 LEU 54 HD22 LEU 54 13.406 25.683 -5.779 434 HD23 LEU 54 HD23 LEU 54 12.597 24.270 -6.457 435 H GLY 55 HN GLY 55 18.027 25.960 -8.297 436 HA2 GLY 55 HA2 GLY 55 19.063 28.036 -8.696 437 HA3 GLY 55 HA1 GLY 55 17.530 28.666 -9.277 438 H ASP 56 HN ASP 56 16.271 27.435 -6.784 439 HA ASP 56 HA ASP 56 16.593 29.839 -5.196 440 HB2 ASP 56 HB2 ASP 56 14.639 27.546 -5.038 441 HB3 ASP 56 HB1 ASP 56 14.662 28.877 -3.884 442 H PHE 57 HN PHE 57 18.853 28.357 -5.109 443 HA PHE 57 HA PHE 57 19.016 27.787 -2.255 444 HB2 PHE 57 HB2 PHE 57 18.731 25.622 -3.728 445 HB3 PHE 57 HB1 PHE 57 20.408 25.922 -4.166 446 HD1 PHE 57 HD1 PHE 57 21.493 26.866 -1.561 447 HD2 PHE 57 HD2 PHE 57 18.818 23.692 -2.469 448 HE1 PHE 57 HE1 PHE 57 22.228 25.681 0.461 449 HE2 PHE 57 HE2 PHE 57 19.542 22.499 -0.443 450 HZ PHE 57 HZ PHE 57 21.248 23.495 1.025 451 H ASP 58 HN ASP 58 20.780 28.810 -1.449 452 HA ASP 58 HA ASP 58 22.343 30.451 -3.143 453 HB2 ASP 58 HB2 ASP 58 21.787 30.838 -0.682 454 HB3 ASP 58 HB1 ASP 58 23.084 29.703 -0.319 455 H GLN 59 HN GLN 59 24.357 30.231 -3.957 456 HA GLN 59 HA GLN 59 25.274 27.571 -4.376 457 HB2 GLN 59 HB2 GLN 59 26.527 30.219 -5.108 458 HB3 GLN 59 HB1 GLN 59 27.107 28.650 -5.655 459 HG2 GLN 59 HG2 GLN 59 24.934 28.255 -6.737 460 HG3 GLN 59 HG1 GLN 59 24.421 29.867 -6.241 461 HE21 GLN 59 HE21 GLN 59 24.737 28.688 -8.901 462 HE22 GLN 59 HE22 GLN 59 25.828 29.730 -9.753 463 H ILE 60 HN ILE 60 25.872 26.679 -2.471 464 HA ILE 60 HA ILE 60 28.441 27.609 -1.386 465 HB ILE 60 HB ILE 60 27.710 26.701 0.833 466 HG12 ILE 60 HG12 ILE 60 25.006 26.663 -0.526 467 HG13 ILE 60 HG11 ILE 60 25.896 25.266 0.067 468 HG21 ILE 60 HG21 ILE 60 27.727 29.093 0.406 469 HG22 ILE 60 HG22 ILE 60 26.367 28.662 1.443 470 HG23 ILE 60 HG23 ILE 60 26.100 29.000 -0.268 471 HD11 ILE 60 HD11 ILE 60 25.654 26.059 2.343 472 HD12 ILE 60 HD12 ILE 60 24.083 25.893 1.559 473 HD13 ILE 60 HD13 ILE 60 24.803 27.490 1.765 474 H ASP 61 HN ASP 61 29.659 25.793 -0.323 475 HA ASP 61 HA ASP 61 29.498 23.490 -2.060 476 HB2 ASP 61 HB2 ASP 61 31.669 24.639 -1.237 477 HB3 ASP 61 HB1 ASP 61 31.412 23.727 0.245 478 H ILE 62 HN ILE 62 27.648 22.423 -1.479 479 HA ILE 62 HA ILE 62 27.145 21.583 1.214 480 HB ILE 62 HB ILE 62 25.925 20.764 -1.425 481 HG12 ILE 62 HG12 ILE 62 25.408 23.040 -0.697 482 HG13 ILE 62 HG11 ILE 62 23.977 22.019 -0.607 483 HG21 ILE 62 HG21 ILE 62 25.061 19.919 1.338 484 HG22 ILE 62 HG22 ILE 62 25.786 18.879 0.111 485 HG23 ILE 62 HG23 ILE 62 24.196 19.593 -0.165 486 HD11 ILE 62 HD11 ILE 62 24.144 23.492 1.318 487 HD12 ILE 62 HD12 ILE 62 25.722 22.811 1.715 488 HD13 ILE 62 HD13 ILE 62 24.279 21.801 1.802 489 H GLY 63 HN GLY 63 28.733 20.271 -1.598 490 HA2 GLY 63 HA2 GLY 63 28.784 17.562 -1.027 491 HA3 GLY 63 HA1 GLY 63 30.037 18.416 -1.914 492 H VAL 64 HN VAL 64 31.127 20.045 -0.008 493 HA VAL 64 HA VAL 64 32.800 18.309 1.436 494 HB VAL 64 HB VAL 64 32.302 21.275 1.671 495 HG11 VAL 64 HG11 VAL 64 34.242 21.414 3.151 496 HG12 VAL 64 HG12 VAL 64 34.356 19.655 3.180 497 HG13 VAL 64 HG13 VAL 64 32.956 20.459 3.888 498 HG21 VAL 64 HG21 VAL 64 34.634 19.651 0.664 499 HG22 VAL 64 HG22 VAL 64 34.560 21.411 0.723 500 HG23 VAL 64 HG23 VAL 64 33.461 20.517 -0.328 501 H VAL 65 HN VAL 65 29.993 20.217 2.500 502 HA VAL 65 HA VAL 65 30.394 19.736 5.255 503 HB VAL 65 HB VAL 65 27.837 20.538 3.859 504 HG11 VAL 65 HG11 VAL 65 27.191 21.466 6.040 505 HG12 VAL 65 HG12 VAL 65 28.662 20.792 6.750 506 HG13 VAL 65 HG13 VAL 65 27.420 19.716 6.111 507 HG21 VAL 65 HG21 VAL 65 28.468 22.828 4.530 508 HG22 VAL 65 HG22 VAL 65 29.595 22.117 3.369 509 HG23 VAL 65 HG23 VAL 65 30.028 22.210 5.078 510 H ILE 66 HN ILE 66 28.264 18.134 2.877 511 HA ILE 66 HA ILE 66 27.023 16.571 4.955 512 HB ILE 66 HB ILE 66 25.752 15.478 3.163 513 HG12 ILE 66 HG12 ILE 66 26.070 16.814 0.864 514 HG13 ILE 66 HG11 ILE 66 27.733 16.887 1.439 515 HG21 ILE 66 HG21 ILE 66 24.552 17.492 2.419 516 HG22 ILE 66 HG22 ILE 66 25.890 18.479 3.011 517 HG23 ILE 66 HG23 ILE 66 24.934 17.519 4.140 518 HD11 ILE 66 HD11 ILE 66 27.762 14.444 1.606 519 HD12 ILE 66 HD12 ILE 66 27.414 14.999 -0.031 520 HD13 ILE 66 HD13 ILE 66 26.109 14.394 0.991 521 H THR 67 HN THR 67 29.886 16.224 3.226 522 HA THR 67 HA THR 67 29.910 13.325 3.717 523 HB THR 67 HB THR 67 32.016 13.327 2.374 524 HG1 THR 67 HG1 THR 67 31.378 15.893 1.410 525 HG21 THR 67 HG21 THR 67 30.923 13.689 0.189 526 HG22 THR 67 HG22 THR 67 29.576 14.480 1.011 527 HG23 THR 67 HG23 THR 67 29.906 12.772 1.299 528 H HIS 68 HN HIS 68 31.041 16.322 4.868 529 HA HIS 68 HA HIS 68 32.791 15.001 6.806 530 HB2 HIS 68 HB2 HIS 68 33.586 17.410 5.148 531 HB3 HIS 68 HB1 HIS 68 34.486 16.810 6.536 532 HD1 HIS 68 HD1 HIS 68 33.527 15.825 3.013 533 HD2 HIS 68 HD2 HIS 68 36.206 14.729 6.000 534 HE1 HIS 68 HE1 HIS 68 35.128 14.223 1.928 535 HE2 HIS 68 HE2 HIS 68 36.841 13.714 3.702 536 H PHE 69 HN PHE 69 31.218 15.364 8.346 537 HA PHE 69 HA PHE 69 29.971 17.885 8.757 538 HB2 PHE 69 HB2 PHE 69 30.198 15.461 10.551 539 HB3 PHE 69 HB1 PHE 69 29.191 16.862 10.901 540 HD1 PHE 69 HD1 PHE 69 29.618 13.920 8.748 541 HD2 PHE 69 HD2 PHE 69 27.141 17.241 9.726 542 HE1 PHE 69 HE1 PHE 69 27.776 12.920 7.459 543 HE2 PHE 69 HE2 PHE 69 25.297 16.248 8.441 544 HZ PHE 69 HZ PHE 69 25.610 14.084 7.303 545 H THR 70 HN THR 70 30.361 19.450 10.284 546 HA THR 70 HA THR 70 33.028 19.484 11.444 547 HB THR 70 HB THR 70 32.280 21.840 12.165 548 HG1 THR 70 HG1 THR 70 29.965 21.157 11.569 549 HG21 THR 70 HG21 THR 70 32.459 21.167 9.225 550 HG22 THR 70 HG22 THR 70 33.819 21.445 10.314 551 HG23 THR 70 HG23 THR 70 32.712 22.763 9.932 552 H ASP 71 HN ASP 71 32.802 20.881 13.718 553 HA ASP 71 HA ASP 71 31.582 18.917 15.475 554 HB2 ASP 71 HB2 ASP 71 33.336 21.310 16.065 555 HB3 ASP 71 HB1 ASP 71 32.753 20.177 17.279 556 H GLU 72 HN GLU 72 31.550 22.460 15.150 557 HA GLU 72 HA GLU 72 29.430 22.717 17.079 558 HB2 GLU 72 HB2 GLU 72 31.421 24.357 16.290 559 HB3 GLU 72 HB1 GLU 72 30.120 24.986 15.294 560 HG2 GLU 72 HG2 GLU 72 29.830 24.634 18.257 561 HG3 GLU 72 HG1 GLU 72 30.525 26.086 17.545 562 H LEU 73 HN LEU 73 29.744 23.024 13.567 563 HA LEU 73 HA LEU 73 26.854 23.397 13.346 564 HB2 LEU 73 HB2 LEU 73 29.036 23.578 11.260 565 HB3 LEU 73 HB1 LEU 73 27.331 23.800 10.929 566 HG LEU 73 HG LEU 73 27.451 25.714 12.663 567 HD11 LEU 73 HD11 LEU 73 29.630 26.787 12.861 568 HD12 LEU 73 HD12 LEU 73 30.376 25.451 11.986 569 HD13 LEU 73 HD13 LEU 73 29.650 25.171 13.568 570 HD21 LEU 73 HD21 LEU 73 28.846 25.956 10.003 571 HD22 LEU 73 HD22 LEU 73 28.167 27.288 10.940 572 HD23 LEU 73 HD23 LEU 73 27.107 26.045 10.277 573 HA PRO 74 HA PRO 74 25.217 23.054 11.768 574 HB2 PRO 74 HB2 PRO 74 22.996 21.558 12.187 575 HB3 PRO 74 HB1 PRO 74 23.833 21.607 10.627 576 HG2 PRO 74 HG2 PRO 74 24.016 19.561 12.810 577 HG3 PRO 74 HG1 PRO 74 23.862 19.317 11.061 578 HD2 PRO 74 HD2 PRO 74 26.228 19.119 12.340 579 HD3 PRO 74 HD1 PRO 74 26.095 19.719 10.674 580 H SER 75 HN SER 75 24.248 24.309 13.296 581 HA SER 75 HA SER 75 24.824 23.560 16.053 582 HB2 SER 75 HB2 SER 75 24.263 26.069 16.398 583 HB3 SER 75 HB1 SER 75 25.755 25.649 15.558 584 HG SER 75 HG SER 75 23.448 25.999 14.020 585 HA PRO 76 HA PRO 76 20.798 22.790 17.594 586 HB2 PRO 76 HB2 PRO 76 21.213 25.042 19.506 587 HB3 PRO 76 HB1 PRO 76 20.724 23.372 19.820 588 HG2 PRO 76 HG2 PRO 76 23.205 24.148 20.332 589 HG3 PRO 76 HG1 PRO 76 22.888 22.558 19.610 590 HD2 PRO 76 HD2 PRO 76 23.914 25.053 18.329 591 HD3 PRO 76 HD1 PRO 76 24.351 23.360 18.019 592 H GLU 77 HN GLU 77 21.281 26.361 17.716 593 HA GLU 77 HA GLU 77 18.498 26.861 17.372 594 HB2 GLU 77 HB2 GLU 77 20.881 28.689 17.102 595 HB3 GLU 77 HB1 GLU 77 19.214 29.234 16.972 596 HG2 GLU 77 HG2 GLU 77 18.879 28.206 19.279 597 HG3 GLU 77 HG1 GLU 77 20.639 28.132 19.363 598 H ASP 78 HN ASP 78 21.106 26.373 15.189 599 HA ASP 78 HA ASP 78 19.920 27.401 12.830 600 HB2 ASP 78 HB2 ASP 78 22.267 26.948 12.855 601 HB3 ASP 78 HB1 ASP 78 22.013 25.289 13.373 602 H VAL 79 HN VAL 79 20.154 24.103 14.120 603 HA VAL 79 HA VAL 79 18.407 22.783 12.420 604 HB VAL 79 HB VAL 79 18.956 22.332 15.358 605 HG11 VAL 79 HG11 VAL 79 17.584 20.484 13.406 606 HG12 VAL 79 HG12 VAL 79 16.837 21.279 14.792 607 HG13 VAL 79 HG13 VAL 79 18.087 20.061 15.043 608 HG21 VAL 79 HG21 VAL 79 20.907 22.135 13.926 609 HG22 VAL 79 HG22 VAL 79 20.048 21.003 12.883 610 HG23 VAL 79 HG23 VAL 79 20.432 20.553 14.545 611 H GLU 80 HN GLU 80 17.702 24.440 15.475 612 HA GLU 80 HA GLU 80 14.957 23.969 15.606 613 HB2 GLU 80 HB2 GLU 80 16.215 24.872 17.476 614 HB3 GLU 80 HB1 GLU 80 16.574 26.334 16.568 615 HG2 GLU 80 HG2 GLU 80 14.173 26.872 16.536 616 HG3 GLU 80 HG1 GLU 80 13.867 25.442 17.524 617 H ARG 81 HN ARG 81 16.768 26.527 13.994 618 HA ARG 81 HA ARG 81 14.566 28.145 13.321 619 HB2 ARG 81 HB2 ARG 81 16.991 28.823 13.349 620 HB3 ARG 81 HB1 ARG 81 17.184 27.954 11.834 621 HG2 ARG 81 HG2 ARG 81 15.864 29.471 10.656 622 HG3 ARG 81 HG1 ARG 81 15.138 30.121 12.128 623 HD2 ARG 81 HD2 ARG 81 17.989 30.470 11.206 624 HD3 ARG 81 HD1 ARG 81 16.733 31.710 11.260 625 HE ARG 81 HE ARG 81 17.882 30.410 13.649 626 HH11 ARG 81 HH11 ARG 81 16.529 33.205 12.025 627 HH12 ARG 81 HH12 ARG 81 16.623 34.224 13.436 628 HH21 ARG 81 HH21 ARG 81 18.025 31.765 15.498 629 HH22 ARG 81 HH22 ARG 81 17.481 33.410 15.399 630 H VAL 82 HN VAL 82 16.407 25.777 11.349 631 HA VAL 82 HA VAL 82 14.702 26.056 9.104 632 HB VAL 82 HB VAL 82 17.056 24.904 9.289 633 HG11 VAL 82 HG11 VAL 82 16.401 23.110 10.792 634 HG12 VAL 82 HG12 VAL 82 16.929 22.457 9.241 635 HG13 VAL 82 HG13 VAL 82 15.209 22.542 9.622 636 HG21 VAL 82 HG21 VAL 82 15.842 25.346 7.212 637 HG22 VAL 82 HG22 VAL 82 14.914 23.864 7.441 638 HG23 VAL 82 HG23 VAL 82 16.652 23.780 7.168 639 H ARG 83 HN ARG 83 14.538 24.067 11.990 640 HA ARG 83 HA ARG 83 12.502 22.302 11.228 641 HB2 ARG 83 HB2 ARG 83 13.721 22.030 13.329 642 HB3 ARG 83 HB1 ARG 83 13.056 23.540 13.938 643 HG2 ARG 83 HG2 ARG 83 10.765 22.429 13.626 644 HG3 ARG 83 HG1 ARG 83 11.671 20.921 13.501 645 HD2 ARG 83 HD2 ARG 83 11.905 22.843 15.808 646 HD3 ARG 83 HD1 ARG 83 10.825 21.452 15.795 647 HE ARG 83 HE ARG 83 13.013 20.153 15.408 648 HH11 ARG 83 HH11 ARG 83 12.753 23.080 17.310 649 HH12 ARG 83 HH12 ARG 83 14.012 22.639 18.421 650 HH21 ARG 83 HH21 ARG 83 14.637 19.531 16.882 651 HH22 ARG 83 HH22 ARG 83 15.081 20.601 18.186 652 H ALA 84 HN ALA 84 12.276 25.475 12.829 653 HA ALA 84 HA ALA 84 9.464 25.567 12.920 654 HB1 ALA 84 HB1 ALA 84 9.729 27.940 13.381 655 HB2 ALA 84 HB2 ALA 84 11.408 27.870 12.844 656 HB3 ALA 84 HB3 ALA 84 10.908 26.993 14.291 657 H ARG 85 HN ARG 85 11.778 26.776 10.524 658 HA ARG 85 HA ARG 85 9.857 28.137 8.951 659 HB2 ARG 85 HB2 ARG 85 12.288 28.596 8.913 660 HB3 ARG 85 HB1 ARG 85 12.552 27.047 8.130 661 HG2 ARG 85 HG2 ARG 85 12.628 28.899 6.545 662 HG3 ARG 85 HG1 ARG 85 11.314 27.780 6.183 663 HD2 ARG 85 HD2 ARG 85 10.665 30.091 7.922 664 HD3 ARG 85 HD1 ARG 85 11.002 30.440 6.225 665 HE ARG 85 HE ARG 85 9.249 28.466 5.978 666 HH11 ARG 85 HH11 ARG 85 9.174 31.271 8.079 667 HH12 ARG 85 HH12 ARG 85 7.442 31.365 8.091 668 HH21 ARG 85 HH21 ARG 85 6.965 28.614 5.970 669 HH22 ARG 85 HH22 ARG 85 6.187 29.869 6.895 670 H LEU 86 HN LEU 86 11.103 24.828 8.849 671 HA LEU 86 HA LEU 86 9.777 24.271 6.344 672 HB2 LEU 86 HB2 LEU 86 11.577 22.786 8.166 673 HB3 LEU 86 HB1 LEU 86 10.504 21.834 7.161 674 HG LEU 86 HG LEU 86 12.762 22.149 6.184 675 HD11 LEU 86 HD11 LEU 86 11.993 22.744 3.943 676 HD12 LEU 86 HD12 LEU 86 10.511 23.413 4.625 677 HD13 LEU 86 HD13 LEU 86 10.838 21.685 4.755 678 HD21 LEU 86 HD21 LEU 86 13.168 24.419 7.021 679 HD22 LEU 86 HD22 LEU 86 11.925 25.035 5.934 680 HD23 LEU 86 HD23 LEU 86 13.393 24.310 5.276 681 H ALA 87 HN ALA 87 9.182 23.623 9.754 682 HA ALA 87 HA ALA 87 7.260 21.605 9.483 683 HB1 ALA 87 HB1 ALA 87 8.333 22.173 11.605 684 HB2 ALA 87 HB2 ALA 87 6.575 22.159 11.747 685 HB3 ALA 87 HB3 ALA 87 7.442 23.693 11.648 686 H ALA 88 HN ALA 88 7.008 25.006 8.942 687 HA ALA 88 HA ALA 88 4.223 25.315 9.289 688 HB1 ALA 88 HB1 ALA 88 5.777 27.207 9.220 689 HB2 ALA 88 HB2 ALA 88 4.477 27.389 8.043 690 HB3 ALA 88 HB3 ALA 88 6.082 26.890 7.512 691 H GLN 89 HN GLN 89 6.048 23.783 6.819 692 HA GLN 89 HA GLN 89 3.685 23.776 5.054 693 HB2 GLN 89 HB2 GLN 89 6.582 23.306 4.319 694 HB3 GLN 89 HB1 GLN 89 5.231 23.152 3.218 695 HG2 GLN 89 HG2 GLN 89 6.171 25.247 2.764 696 HG3 GLN 89 HG1 GLN 89 4.703 25.567 3.677 697 HE21 GLN 89 HE21 GLN 89 7.707 24.459 5.118 698 HE22 GLN 89 HE22 GLN 89 8.044 25.917 5.981 699 H GLY 90 HN GLY 90 4.796 22.014 7.407 700 HA2 GLY 90 HA2 GLY 90 3.773 19.804 7.668 701 HA3 GLY 90 HA1 GLY 90 4.280 19.458 6.021 702 H TRP 91 HN TRP 91 5.058 17.566 7.529 703 HA TRP 91 HA TRP 91 7.906 17.856 7.758 704 HB2 TRP 91 HB2 TRP 91 6.952 18.777 9.939 705 HB3 TRP 91 HB1 TRP 91 6.416 17.138 10.284 706 HD1 TRP 91 HD1 TRP 91 8.232 15.407 11.101 707 HE1 TRP 91 HE1 TRP 91 10.689 15.650 11.828 708 HE3 TRP 91 HE3 TRP 91 9.108 20.146 9.406 709 HZ2 TRP 91 HZ2 TRP 91 12.729 17.600 11.699 710 HZ3 TRP 91 HZ3 TRP 91 11.336 21.130 9.750 711 HH2 TRP 91 HH2 TRP 91 13.109 19.881 10.874 712 HA PRO 92 HA PRO 92 6.563 13.607 6.750 713 HB2 PRO 92 HB2 PRO 92 8.002 13.297 4.527 714 HB3 PRO 92 HB1 PRO 92 6.532 14.280 4.532 715 HG2 PRO 92 HG2 PRO 92 9.391 15.140 4.581 716 HG3 PRO 92 HG1 PRO 92 8.013 15.863 3.732 717 HD2 PRO 92 HD2 PRO 92 9.070 16.738 6.163 718 HD3 PRO 92 HD1 PRO 92 7.469 17.151 5.523 719 H LEU 93 HN LEU 93 9.049 14.738 8.330 720 HA LEU 93 HA LEU 93 10.895 12.513 7.883 721 HB2 LEU 93 HB2 LEU 93 11.154 14.812 9.822 722 HB3 LEU 93 HB1 LEU 93 12.401 13.656 9.404 723 HG LEU 93 HG LEU 93 11.268 15.838 7.664 724 HD11 LEU 93 HD11 LEU 93 13.645 16.543 7.618 725 HD12 LEU 93 HD12 LEU 93 14.003 15.279 8.796 726 HD13 LEU 93 HD13 LEU 93 12.920 16.603 9.224 727 HD21 LEU 93 HD21 LEU 93 12.784 15.052 5.914 728 HD22 LEU 93 HD22 LEU 93 11.566 13.837 6.303 729 HD23 LEU 93 HD23 LEU 93 13.214 13.660 6.907 730 H ASP 94 HN ASP 94 8.352 13.481 9.925 731 HA ASP 94 HA ASP 94 8.511 11.130 11.551 732 HB2 ASP 94 HB2 ASP 94 10.169 12.900 12.543 733 HB3 ASP 94 HB1 ASP 94 8.708 13.730 13.066 734 H ASP 95 HN ASP 95 6.898 12.222 13.678 735 HA ASP 95 HA ASP 95 4.466 12.897 12.157 736 HB2 ASP 95 HB2 ASP 95 4.268 10.778 13.331 737 HB3 ASP 95 HB1 ASP 95 4.758 11.537 14.840 738 H VAL 96 HN VAL 96 3.032 14.433 13.050 739 HA VAL 96 HA VAL 96 4.291 16.289 14.958 740 HB VAL 96 HB VAL 96 2.783 17.101 12.465 741 HG11 VAL 96 HG11 VAL 96 2.419 18.646 14.309 742 HG12 VAL 96 HG12 VAL 96 3.438 19.382 13.073 743 HG13 VAL 96 HG13 VAL 96 4.159 18.775 14.564 744 HG21 VAL 96 HG21 VAL 96 5.717 17.330 13.125 745 HG22 VAL 96 HG22 VAL 96 4.929 18.000 11.695 746 HG23 VAL 96 HG23 VAL 96 4.999 16.253 11.927 747 H ARG 97 HN ARG 97 3.050 16.113 16.723 748 HA ARG 97 HA ARG 97 0.158 16.584 16.357 749 HB2 ARG 97 HB2 ARG 97 1.477 15.293 18.755 750 HB3 ARG 97 HB1 ARG 97 -0.246 15.519 18.509 751 HG2 ARG 97 HG2 ARG 97 1.602 13.646 17.068 752 HG3 ARG 97 HG1 ARG 97 0.207 13.251 18.071 753 HD2 ARG 97 HD2 ARG 97 0.156 14.631 15.390 754 HD3 ARG 97 HD1 ARG 97 -0.306 12.962 15.713 755 HE ARG 97 HE ARG 97 -2.065 14.067 17.226 756 HH11 ARG 97 HH11 ARG 97 -0.826 15.480 14.281 757 HH12 ARG 97 HH12 ARG 97 -2.317 16.280 13.872 758 HH21 ARG 97 HH21 ARG 97 -4.043 15.107 16.706 759 HH22 ARG 97 HH22 ARG 97 -4.149 16.050 15.244 760 H ASP 98 HN ASP 98 0.097 18.762 16.446 761 HA ASP 98 HA ASP 98 1.814 20.209 18.277 762 HB2 ASP 98 HB2 ASP 98 1.043 22.209 17.164 763 HB3 ASP 98 HB1 ASP 98 1.435 21.002 15.944 764 H ARG 99 HN ARG 99 0.942 21.955 19.595 765 HA ARG 99 HA ARG 99 -1.793 22.058 20.332 766 HB2 ARG 99 HB2 ARG 99 -1.463 20.066 21.574 767 HB3 ARG 99 HB1 ARG 99 0.110 20.593 22.156 768 HG2 ARG 99 HG2 ARG 99 -0.862 22.143 23.657 769 HG3 ARG 99 HG1 ARG 99 -2.452 21.970 22.914 770 HD2 ARG 99 HD2 ARG 99 -1.128 19.561 24.054 771 HD3 ARG 99 HD1 ARG 99 -1.851 20.730 25.157 772 HE ARG 99 HE ARG 99 -3.777 20.254 23.258 773 HH11 ARG 99 HH11 ARG 99 -1.936 18.243 25.461 774 HH12 ARG 99 HH12 ARG 99 -3.243 17.134 25.748 775 HH21 ARG 99 HH21 ARG 99 -5.502 18.809 23.632 776 HH22 ARG 99 HH22 ARG 99 -5.271 17.450 24.697 777 H GLU 100 HN GLU 100 1.139 22.430 22.305 778 HA GLU 100 HA GLU 100 1.619 25.132 21.847 779 HB2 GLU 100 HB2 GLU 100 -0.665 25.402 22.856 780 HB3 GLU 100 HB1 GLU 100 -0.043 24.695 24.340 781 HG2 GLU 100 HG2 GLU 100 1.525 26.534 24.581 782 HG3 GLU 100 HG1 GLU 100 0.959 27.230 23.063 783 H GLU 101 HN GLU 101 3.720 25.027 22.283 784 HA GLU 101 HA GLU 101 4.638 23.589 24.673 785 HB2 GLU 101 HB2 GLU 101 6.240 24.903 22.473 786 HB3 GLU 101 HB1 GLU 101 6.876 23.876 23.748 787 HG2 GLU 101 HG2 GLU 101 5.725 21.967 22.838 788 HG3 GLU 101 HG1 GLU 101 4.952 22.981 21.617 789 H HIS 102 HN HIS 102 5.025 26.682 23.015 790 HA HIS 102 HA HIS 102 5.068 28.197 25.446 791 HB2 HIS 102 HB2 HIS 102 7.377 29.122 25.062 792 HB3 HIS 102 HB1 HIS 102 7.360 27.440 25.582 793 HD1 HIS 102 HD1 HIS 102 7.705 29.438 22.329 794 HD2 HIS 102 HD2 HIS 102 8.786 25.775 23.996 795 HE1 HIS 102 HE1 HIS 102 9.192 28.323 20.634 796 HE2 HIS 102 HE2 HIS 102 9.639 26.022 21.574 797 H ALA 103 HN ALA 103 5.915 30.562 24.751 798 HA ALA 103 HA ALA 103 4.692 31.147 22.146 799 HB1 ALA 103 HB1 ALA 103 4.638 33.477 22.897 800 HB2 ALA 103 HB2 ALA 103 5.451 33.017 24.394 801 HB3 ALA 103 HB3 ALA 103 3.827 32.418 24.050 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 1.596 3.682 -13.450 2 H2 GLY 1 HT2 GLY 1 0.425 2.840 -12.555 3 H3 GLY 1 HT3 GLY 1 1.168 2.103 -13.891 4 HA2 GLY 1 HA1 GLY 1 2.076 1.251 -11.825 5 HA3 GLY 1 HA2 GLY 1 3.288 2.092 -12.781 6 H SER 2 HN SER 2 4.509 2.382 -10.859 7 HA SER 2 HA SER 2 3.821 4.832 -9.483 8 HB2 SER 2 HB2 SER 2 2.703 3.199 -8.061 9 HB3 SER 2 HB1 SER 2 4.168 2.221 -7.984 10 HG SER 2 HG SER 2 4.955 3.503 -6.515 11 H HIS 3 HN HIS 3 5.618 6.011 -9.513 12 HA HIS 3 HA HIS 3 8.215 4.661 -9.698 13 HB2 HIS 3 HB2 HIS 3 7.411 7.546 -10.149 14 HB3 HIS 3 HB1 HIS 3 9.070 6.971 -10.229 15 HD1 HIS 3 HD1 HIS 3 9.793 6.694 -12.571 16 HD2 HIS 3 HD2 HIS 3 5.758 5.799 -12.078 17 HE1 HIS 3 HE1 HIS 3 8.958 6.035 -14.853 18 HE2 HIS 3 HE2 HIS 3 6.567 5.312 -14.486 19 H MET 4 HN MET 4 9.811 4.892 -8.202 20 HA MET 4 HA MET 4 8.984 5.528 -5.531 21 HB2 MET 4 HB2 MET 4 11.763 4.927 -6.566 22 HB3 MET 4 HB1 MET 4 11.236 4.859 -4.889 23 HG2 MET 4 HG2 MET 4 10.254 3.094 -7.121 24 HG3 MET 4 HG1 MET 4 11.412 2.640 -5.872 25 HE1 MET 4 HE1 MET 4 9.797 0.483 -5.485 26 HE2 MET 4 HE2 MET 4 8.650 1.105 -6.672 27 HE3 MET 4 HE3 MET 4 8.088 0.627 -5.070 28 H ASN 5 HN ASN 5 10.450 7.248 -8.077 29 HA ASN 5 HA ASN 5 11.980 9.163 -6.768 30 HB2 ASN 5 HB2 ASN 5 10.365 9.410 -9.311 31 HB3 ASN 5 HB1 ASN 5 11.506 10.628 -8.753 32 HD21 ASN 5 HD21 ASN 5 12.892 10.450 -10.465 33 HD22 ASN 5 HD22 ASN 5 13.854 9.048 -10.769 34 H ARG 6 HN ARG 6 8.529 8.856 -7.005 35 HA ARG 6 HA ARG 6 7.677 11.469 -6.732 36 HB2 ARG 6 HB2 ARG 6 5.590 10.613 -5.909 37 HB3 ARG 6 HB1 ARG 6 6.198 9.509 -7.132 38 HG2 ARG 6 HG2 ARG 6 6.892 7.940 -5.453 39 HG3 ARG 6 HG1 ARG 6 6.495 9.081 -4.165 40 HD2 ARG 6 HD2 ARG 6 4.127 9.018 -4.934 41 HD3 ARG 6 HD1 ARG 6 4.578 7.755 -6.079 42 HE ARG 6 HE ARG 6 5.414 6.661 -3.807 43 HH11 ARG 6 HH11 ARG 6 2.421 8.367 -4.476 44 HH12 ARG 6 HH12 ARG 6 1.489 7.432 -3.345 45 HH21 ARG 6 HH21 ARG 6 4.180 5.457 -2.296 46 HH22 ARG 6 HH22 ARG 6 2.492 5.815 -2.096 47 H PHE 7 HN PHE 7 8.960 9.333 -4.245 48 HA PHE 7 HA PHE 7 8.135 10.964 -2.049 49 HB2 PHE 7 HB2 PHE 7 8.688 8.540 -1.834 50 HB3 PHE 7 HB1 PHE 7 10.378 8.931 -2.140 51 HD1 PHE 7 HD2 PHE 7 7.572 9.559 0.197 52 HD2 PHE 7 HD1 PHE 7 11.787 9.596 -0.394 53 HE1 PHE 7 HE2 PHE 7 7.900 9.971 2.600 54 HE2 PHE 7 HE1 PHE 7 12.122 10.008 2.010 55 HZ PHE 7 HZ PHE 7 10.178 10.196 3.510 56 H LEU 8 HN LEU 8 11.156 10.566 -3.846 57 HA LEU 8 HA LEU 8 12.693 12.434 -2.417 58 HB2 LEU 8 HB2 LEU 8 12.891 11.600 -5.313 59 HB3 LEU 8 HB1 LEU 8 14.126 12.478 -4.431 60 HG LEU 8 HG LEU 8 13.182 9.696 -3.733 61 HD11 LEU 8 HD11 LEU 8 14.328 9.713 -5.881 62 HD12 LEU 8 HD12 LEU 8 15.330 8.954 -4.644 63 HD13 LEU 8 HD13 LEU 8 15.675 10.602 -5.170 64 HD21 LEU 8 HD21 LEU 8 14.045 10.950 -1.825 65 HD22 LEU 8 HD22 LEU 8 15.512 11.326 -2.728 66 HD23 LEU 8 HD23 LEU 8 15.150 9.657 -2.287 67 H THR 9 HN THR 9 10.681 12.760 -5.315 68 HA THR 9 HA THR 9 11.145 15.502 -5.753 69 HB THR 9 HB THR 9 8.656 13.920 -6.435 70 HG1 THR 9 HG1 THR 9 11.197 14.169 -7.692 71 HG21 THR 9 HG21 THR 9 8.406 15.541 -8.254 72 HG22 THR 9 HG22 THR 9 9.840 16.402 -7.694 73 HG23 THR 9 HG23 THR 9 8.392 16.351 -6.687 74 H SER 10 HN SER 10 8.838 13.790 -3.701 75 HA SER 10 HA SER 10 7.278 16.036 -2.983 76 HB2 SER 10 HB2 SER 10 6.840 13.485 -2.590 77 HB3 SER 10 HB1 SER 10 7.753 13.737 -1.103 78 HG SER 10 HG SER 10 6.191 15.005 -0.320 79 H ILE 11 HN ILE 11 10.209 14.587 -1.644 80 HA ILE 11 HA ILE 11 10.532 16.327 0.549 81 HB ILE 11 HB ILE 11 12.659 14.950 -1.108 82 HG12 ILE 11 HG12 ILE 11 11.078 13.372 -0.106 83 HG13 ILE 11 HG11 ILE 11 12.649 13.261 0.683 84 HG21 ILE 11 HG21 ILE 11 12.850 16.183 1.636 85 HG22 ILE 11 HG22 ILE 11 13.613 16.780 0.162 86 HG23 ILE 11 HG23 ILE 11 14.112 15.234 0.848 87 HD11 ILE 11 HD11 ILE 11 10.232 14.702 1.751 88 HD12 ILE 11 HD12 ILE 11 11.803 14.592 2.545 89 HD13 ILE 11 HD13 ILE 11 10.839 13.138 2.292 90 H VAL 12 HN VAL 12 11.736 16.500 -2.783 91 HA VAL 12 HA VAL 12 13.110 18.900 -2.709 92 HB VAL 12 HB VAL 12 11.442 17.713 -4.932 93 HG11 VAL 12 HG11 VAL 12 13.426 19.981 -5.097 94 HG12 VAL 12 HG12 VAL 12 11.680 20.110 -5.316 95 HG13 VAL 12 HG13 VAL 12 12.648 19.186 -6.466 96 HG21 VAL 12 HG21 VAL 12 13.320 16.341 -4.233 97 HG22 VAL 12 HG22 VAL 12 14.413 17.713 -4.414 98 HG23 VAL 12 HG23 VAL 12 13.618 17.024 -5.831 99 H ALA 13 HN ALA 13 9.655 18.413 -3.435 100 HA ALA 13 HA ALA 13 8.972 21.118 -3.729 101 HB1 ALA 13 HB1 ALA 13 7.523 19.278 -4.444 102 HB2 ALA 13 HB2 ALA 13 6.666 20.394 -3.382 103 HB3 ALA 13 HB3 ALA 13 7.238 18.846 -2.758 104 H TRP 14 HN TRP 14 9.007 19.018 -0.903 105 HA TRP 14 HA TRP 14 7.940 20.823 0.961 106 HB2 TRP 14 HB2 TRP 14 8.034 18.520 1.528 107 HB3 TRP 14 HB1 TRP 14 9.759 18.431 1.202 108 HD1 TRP 14 HD1 TRP 14 7.711 20.697 3.612 109 HE1 TRP 14 HE1 TRP 14 8.793 20.543 5.941 110 HE3 TRP 14 HE3 TRP 14 11.435 17.384 2.521 111 HZ2 TRP 14 HZ2 TRP 14 10.968 19.186 7.145 112 HZ3 TRP 14 HZ3 TRP 14 12.975 16.708 4.313 113 HH2 TRP 14 HH2 TRP 14 12.745 17.587 6.574 114 H LEU 15 HN LEU 15 11.311 20.109 0.088 115 HA LEU 15 HA LEU 15 12.509 21.815 1.961 116 HB2 LEU 15 HB2 LEU 15 13.534 20.929 -0.734 117 HB3 LEU 15 HB1 LEU 15 14.507 21.708 0.501 118 HG LEU 15 HG LEU 15 13.229 18.979 0.632 119 HD11 LEU 15 HD11 LEU 15 15.541 18.226 0.889 120 HD12 LEU 15 HD12 LEU 15 16.102 19.890 0.720 121 HD13 LEU 15 HD13 LEU 15 15.301 19.089 -0.632 122 HD21 LEU 15 HD21 LEU 15 14.682 20.505 2.794 123 HD22 LEU 15 HD22 LEU 15 14.215 18.807 2.877 124 HD23 LEU 15 HD23 LEU 15 12.973 20.059 2.794 125 H ARG 16 HN ARG 16 11.564 22.416 -1.421 126 HA ARG 16 HA ARG 16 12.556 25.080 -1.398 127 HB2 ARG 16 HB2 ARG 16 11.477 25.390 -3.506 128 HB3 ARG 16 HB1 ARG 16 12.133 23.762 -3.484 129 HG2 ARG 16 HG2 ARG 16 9.937 22.844 -3.066 130 HG3 ARG 16 HG1 ARG 16 9.255 24.468 -2.961 131 HD2 ARG 16 HD2 ARG 16 10.464 23.142 -5.383 132 HD3 ARG 16 HD1 ARG 16 8.774 23.580 -5.134 133 HE ARG 16 HE ARG 16 11.001 25.451 -5.622 134 HH11 ARG 16 HH11 ARG 16 7.546 24.837 -5.362 135 HH12 ARG 16 HH12 ARG 16 7.112 26.358 -6.088 136 HH21 ARG 16 HH21 ARG 16 10.423 27.428 -6.536 137 HH22 ARG 16 HH22 ARG 16 8.743 27.849 -6.720 138 H ALA 17 HN ALA 17 9.443 23.625 -0.600 139 HA ALA 17 HA ALA 17 7.986 26.030 -0.335 140 HB1 ALA 17 HB1 ALA 17 6.899 23.846 -0.466 141 HB2 ALA 17 HB2 ALA 17 6.401 24.723 0.981 142 HB3 ALA 17 HB3 ALA 17 7.575 23.412 1.105 143 H GLY 18 HN GLY 18 10.156 24.303 1.806 144 HA2 GLY 18 HA2 GLY 18 9.610 25.797 4.155 145 HA3 GLY 18 HA1 GLY 18 11.081 24.890 3.828 146 H TYR 19 HN TYR 19 11.508 26.476 1.314 147 HA TYR 19 HA TYR 19 12.130 29.114 2.391 148 HB2 TYR 19 HB2 TYR 19 14.211 27.159 1.420 149 HB3 TYR 19 HB1 TYR 19 14.489 28.897 1.398 150 HD1 TYR 19 HD2 TYR 19 14.598 30.156 3.522 151 HD2 TYR 19 HD1 TYR 19 14.313 25.914 3.458 152 HE1 TYR 19 HE2 TYR 19 15.323 30.079 5.867 153 HE2 TYR 19 HE1 TYR 19 15.042 25.826 5.804 154 HH TYR 19 HH TYR 19 16.394 27.338 7.380 155 HA PRO 20 HA PRO 20 10.668 29.271 -1.989 156 HB2 PRO 20 HB2 PRO 20 9.144 31.496 -1.630 157 HB3 PRO 20 HB1 PRO 20 8.545 29.862 -1.323 158 HG2 PRO 20 HG2 PRO 20 9.572 31.899 0.612 159 HG3 PRO 20 HG1 PRO 20 8.171 30.822 0.757 160 HD2 PRO 20 HD2 PRO 20 10.533 30.307 1.975 161 HD3 PRO 20 HD1 PRO 20 9.463 29.018 1.388 162 H GLU 21 HN GLU 21 12.375 31.231 0.167 163 HA GLU 21 HA GLU 21 13.165 33.188 -1.839 164 HB2 GLU 21 HB2 GLU 21 14.239 34.345 -0.013 165 HB3 GLU 21 HB1 GLU 21 12.567 33.974 0.393 166 HG2 GLU 21 HG2 GLU 21 14.190 31.811 1.223 167 HG3 GLU 21 HG1 GLU 21 14.907 33.312 1.772 168 H GLY 22 HN GLY 22 14.023 30.154 -1.047 169 HA2 GLY 22 HA2 GLY 22 15.918 29.029 -1.932 170 HA3 GLY 22 HA1 GLY 22 16.801 30.551 -1.902 171 H ILE 23 HN ILE 23 17.485 27.881 -0.779 172 HA ILE 23 HA ILE 23 17.344 28.191 2.078 173 HB ILE 23 HB ILE 23 18.907 26.224 0.389 174 HG12 ILE 23 HG12 ILE 23 17.238 24.616 1.517 175 HG13 ILE 23 HG11 ILE 23 16.310 26.056 1.915 176 HG21 ILE 23 HG21 ILE 23 19.316 25.001 2.476 177 HG22 ILE 23 HG22 ILE 23 18.580 26.322 3.384 178 HG23 ILE 23 HG23 ILE 23 20.070 26.595 2.481 179 HD11 ILE 23 HD11 ILE 23 16.113 26.579 -0.463 180 HD12 ILE 23 HD12 ILE 23 15.457 24.986 -0.084 181 HD13 ILE 23 HD13 ILE 23 17.038 25.127 -0.853 182 HA PRO 24 HA PRO 24 20.806 31.047 2.061 183 HB2 PRO 24 HB2 PRO 24 20.469 30.851 4.984 184 HB3 PRO 24 HB1 PRO 24 20.398 32.271 3.937 185 HG2 PRO 24 HG2 PRO 24 18.190 31.245 5.065 186 HG3 PRO 24 HG1 PRO 24 18.166 31.961 3.443 187 HD2 PRO 24 HD2 PRO 24 18.199 29.080 4.242 188 HD3 PRO 24 HD1 PRO 24 17.300 29.879 2.937 189 HA PRO 25 HA PRO 25 24.318 28.438 2.757 190 HB2 PRO 25 HB2 PRO 25 26.030 30.407 3.737 191 HB3 PRO 25 HB1 PRO 25 25.777 30.021 2.033 192 HG2 PRO 25 HG2 PRO 25 24.571 32.193 3.685 193 HG3 PRO 25 HG1 PRO 25 25.106 32.231 1.995 194 HD2 PRO 25 HD2 PRO 25 22.513 32.073 2.617 195 HD3 PRO 25 HD1 PRO 25 23.178 31.180 1.232 196 H THR 26 HN THR 26 23.418 30.746 5.269 197 HA THR 26 HA THR 26 24.850 29.610 7.398 198 HB THR 26 HB THR 26 23.020 30.799 8.785 199 HG1 THR 26 HG1 THR 26 21.337 31.139 7.459 200 HG21 THR 26 HG21 THR 26 25.226 31.771 8.343 201 HG22 THR 26 HG22 THR 26 23.965 33.004 8.282 202 HG23 THR 26 HG23 THR 26 24.651 32.371 6.786 203 H ASP 27 HN ASP 27 21.619 29.027 6.143 204 HA ASP 27 HA ASP 27 20.941 27.293 8.361 205 HB2 ASP 27 HB2 ASP 27 19.384 28.169 5.924 206 HB3 ASP 27 HB1 ASP 27 18.738 27.120 7.181 207 H SER 28 HN SER 28 22.617 26.908 5.553 208 HA SER 28 HA SER 28 21.666 24.528 4.447 209 HB2 SER 28 HB2 SER 28 23.406 25.917 3.390 210 HB3 SER 28 HB1 SER 28 24.536 25.471 4.666 211 HG SER 28 HG SER 28 24.921 24.122 2.952 212 H PHE 29 HN PHE 29 23.994 25.045 7.075 213 HA PHE 29 HA PHE 29 24.575 22.320 7.526 214 HB2 PHE 29 HB2 PHE 29 24.784 24.721 9.349 215 HB3 PHE 29 HB1 PHE 29 25.383 23.122 9.771 216 HD1 PHE 29 HD1 PHE 29 25.727 25.776 7.184 217 HD2 PHE 29 HD2 PHE 29 27.538 22.509 9.210 218 HE1 PHE 29 HE1 PHE 29 27.867 26.297 6.097 219 HE2 PHE 29 HE2 PHE 29 29.684 23.018 8.124 220 HZ PHE 29 HZ PHE 29 29.849 24.915 6.566 221 H ALA 30 HN ALA 30 22.016 24.414 8.618 222 HA ALA 30 HA ALA 30 21.063 22.697 10.689 223 HB1 ALA 30 HB1 ALA 30 20.599 25.098 10.680 224 HB2 ALA 30 HB2 ALA 30 19.107 24.157 10.709 225 HB3 ALA 30 HB3 ALA 30 19.646 24.911 9.208 226 H VAL 31 HN VAL 31 20.066 23.342 7.337 227 HA VAL 31 HA VAL 31 18.025 21.440 7.130 228 HB VAL 31 HB VAL 31 19.987 22.305 4.986 229 HG11 VAL 31 HG11 VAL 31 17.273 21.012 4.721 230 HG12 VAL 31 HG12 VAL 31 18.826 20.252 4.368 231 HG13 VAL 31 HG13 VAL 31 18.266 21.610 3.391 232 HG21 VAL 31 HG21 VAL 31 18.801 24.195 5.950 233 HG22 VAL 31 HG22 VAL 31 17.259 23.376 5.704 234 HG23 VAL 31 HG23 VAL 31 18.223 23.878 4.315 235 H LEU 32 HN LEU 32 21.507 21.171 6.588 236 HA LEU 32 HA LEU 32 21.748 18.485 5.970 237 HB2 LEU 32 HB2 LEU 32 23.712 19.713 5.852 238 HB3 LEU 32 HB1 LEU 32 23.466 20.452 7.421 239 HG LEU 32 HG LEU 32 23.968 18.231 8.468 240 HD11 LEU 32 HD11 LEU 32 24.817 17.515 5.666 241 HD12 LEU 32 HD12 LEU 32 23.472 16.807 6.561 242 HD13 LEU 32 HD13 LEU 32 25.127 16.560 7.117 243 HD21 LEU 32 HD21 LEU 32 26.118 19.463 6.752 244 HD22 LEU 32 HD22 LEU 32 26.386 18.412 8.144 245 HD23 LEU 32 HD23 LEU 32 25.632 19.992 8.364 246 H ALA 33 HN ALA 33 21.653 20.005 9.183 247 HA ALA 33 HA ALA 33 22.020 17.707 10.711 248 HB1 ALA 33 HB1 ALA 33 21.080 18.961 12.564 249 HB2 ALA 33 HB2 ALA 33 20.409 20.147 11.444 250 HB3 ALA 33 HB3 ALA 33 22.157 19.980 11.611 251 H LEU 34 HN LEU 34 18.976 19.215 9.621 252 HA LEU 34 HA LEU 34 17.338 17.270 10.895 253 HB2 LEU 34 HB2 LEU 34 16.875 19.412 8.886 254 HB3 LEU 34 HB1 LEU 34 15.649 18.176 9.065 255 HG LEU 34 HG LEU 34 15.043 20.055 10.426 256 HD11 LEU 34 HD11 LEU 34 14.915 19.011 12.632 257 HD12 LEU 34 HD12 LEU 34 16.127 17.827 12.141 258 HD13 LEU 34 HD13 LEU 34 14.551 17.858 11.348 259 HD21 LEU 34 HD21 LEU 34 16.466 20.870 12.230 260 HD22 LEU 34 HD22 LEU 34 17.245 21.065 10.659 261 HD23 LEU 34 HD23 LEU 34 17.739 19.755 11.732 262 H LEU 35 HN LEU 35 18.518 17.558 7.553 263 HA LEU 35 HA LEU 35 16.967 15.390 6.583 264 HB2 LEU 35 HB2 LEU 35 19.443 16.714 5.491 265 HB3 LEU 35 HB1 LEU 35 18.567 15.456 4.640 266 HG LEU 35 HG LEU 35 17.528 18.197 5.367 267 HD11 LEU 35 HD11 LEU 35 17.442 18.511 2.940 268 HD12 LEU 35 HD12 LEU 35 18.151 16.913 2.709 269 HD13 LEU 35 HD13 LEU 35 19.084 18.187 3.495 270 HD21 LEU 35 HD21 LEU 35 16.136 15.922 3.950 271 HD22 LEU 35 HD22 LEU 35 15.504 17.557 4.144 272 HD23 LEU 35 HD23 LEU 35 15.752 16.534 5.559 273 H CYS 36 HN CYS 36 20.253 15.589 7.870 274 HA CYS 36 HA CYS 36 21.102 13.055 6.955 275 HB2 CYS 36 HB2 CYS 36 22.597 14.931 7.685 276 HB3 CYS 36 HB1 CYS 36 22.161 14.561 9.349 277 HG CYS 36 HG CYS 36 24.345 13.056 7.330 278 H ARG 37 HN ARG 37 19.203 14.011 9.697 279 HA ARG 37 HA ARG 37 19.648 11.654 11.252 280 HB2 ARG 37 HB2 ARG 37 17.281 13.534 11.342 281 HB3 ARG 37 HB1 ARG 37 17.725 12.364 12.574 282 HG2 ARG 37 HG2 ARG 37 19.812 13.603 12.964 283 HG3 ARG 37 HG1 ARG 37 19.296 14.801 11.774 284 HD2 ARG 37 HD2 ARG 37 18.603 15.792 13.730 285 HD3 ARG 37 HD1 ARG 37 17.148 14.921 13.248 286 HE ARG 37 HE ARG 37 19.022 14.107 15.377 287 HH11 ARG 37 HH11 ARG 37 15.905 13.799 13.801 288 HH12 ARG 37 HH12 ARG 37 15.175 12.911 15.104 289 HH21 ARG 37 HH21 ARG 37 18.063 12.994 17.119 290 HH22 ARG 37 HH22 ARG 37 16.408 12.471 17.007 291 H ARG 38 HN ARG 38 17.747 12.420 8.515 292 HA ARG 38 HA ARG 38 16.011 10.094 8.941 293 HB2 ARG 38 HB2 ARG 38 14.865 12.222 8.466 294 HB3 ARG 38 HB1 ARG 38 15.748 12.359 6.952 295 HG2 ARG 38 HG2 ARG 38 13.649 11.553 6.337 296 HG3 ARG 38 HG1 ARG 38 14.688 10.129 6.317 297 HD2 ARG 38 HD2 ARG 38 12.774 10.931 8.506 298 HD3 ARG 38 HD1 ARG 38 12.564 9.615 7.354 299 HE ARG 38 HE ARG 38 14.449 8.497 8.434 300 HH11 ARG 38 HH11 ARG 38 12.832 11.049 10.215 301 HH12 ARG 38 HH12 ARG 38 13.471 10.569 11.761 302 HH21 ARG 38 HH21 ARG 38 15.279 7.843 10.465 303 HH22 ARG 38 HH22 ARG 38 14.840 8.727 11.895 304 H LEU 39 HN LEU 39 17.909 11.663 6.375 305 HA LEU 39 HA LEU 39 18.049 9.047 5.036 306 HB2 LEU 39 HB2 LEU 39 17.887 11.810 3.835 307 HB3 LEU 39 HB1 LEU 39 18.208 10.354 2.912 308 HG LEU 39 HG LEU 39 15.681 10.818 4.513 309 HD11 LEU 39 HD11 LEU 39 14.604 11.184 2.345 310 HD12 LEU 39 HD12 LEU 39 16.172 11.081 1.544 311 HD13 LEU 39 HD13 LEU 39 15.837 12.404 2.662 312 HD21 LEU 39 HD21 LEU 39 16.258 8.468 4.208 313 HD22 LEU 39 HD22 LEU 39 16.420 8.722 2.471 314 HD23 LEU 39 HD23 LEU 39 14.845 8.902 3.245 315 H SER 40 HN SER 40 19.961 8.725 3.697 316 HA SER 40 HA SER 40 22.255 9.308 5.292 317 HB2 SER 40 HB2 SER 40 22.026 7.805 2.679 318 HB3 SER 40 HB1 SER 40 23.415 7.785 3.766 319 HG SER 40 HG SER 40 21.431 7.176 5.294 320 H HIS 41 HN HIS 41 24.351 9.880 4.216 321 HA HIS 41 HA HIS 41 24.223 12.551 3.473 322 HB2 HIS 41 HB2 HIS 41 26.700 12.216 2.847 323 HB3 HIS 41 HB1 HIS 41 26.213 11.924 4.509 324 HD1 HIS 41 HD1 HIS 41 27.562 10.192 1.477 325 HD2 HIS 41 HD2 HIS 41 26.356 9.243 5.344 326 HE1 HIS 41 HE1 HIS 41 28.398 7.861 1.899 327 HE2 HIS 41 HE2 HIS 41 27.480 7.237 4.161 328 H ASP 42 HN ASP 42 24.713 9.734 1.314 329 HA ASP 42 HA ASP 42 25.080 11.487 -0.937 330 HB2 ASP 42 HB2 ASP 42 24.915 8.523 -0.615 331 HB3 ASP 42 HB1 ASP 42 24.676 9.225 -2.215 332 H GLU 43 HN GLU 43 22.408 9.930 0.602 333 HA GLU 43 HA GLU 43 20.517 10.231 -1.475 334 HB2 GLU 43 HB2 GLU 43 20.481 9.103 1.012 335 HB3 GLU 43 HB1 GLU 43 19.529 10.557 1.284 336 HG2 GLU 43 HG2 GLU 43 18.111 8.682 0.703 337 HG3 GLU 43 HG1 GLU 43 18.041 9.933 -0.541 338 H VAL 44 HN VAL 44 21.284 12.248 1.354 339 HA VAL 44 HA VAL 44 19.594 14.388 0.591 340 HB VAL 44 HB VAL 44 20.760 15.728 2.275 341 HG11 VAL 44 HG11 VAL 44 20.278 14.321 4.223 342 HG12 VAL 44 HG12 VAL 44 20.200 12.907 3.173 343 HG13 VAL 44 HG13 VAL 44 19.018 14.203 2.996 344 HG21 VAL 44 HG21 VAL 44 22.589 14.799 3.596 345 HG22 VAL 44 HG22 VAL 44 23.046 14.981 1.902 346 HG23 VAL 44 HG23 VAL 44 22.639 13.388 2.539 347 H LYS 45 HN LYS 45 22.938 13.589 -0.092 348 HA LYS 45 HA LYS 45 23.740 15.952 -1.357 349 HB2 LYS 45 HB2 LYS 45 25.298 14.139 -0.821 350 HB3 LYS 45 HB1 LYS 45 24.497 13.086 -1.981 351 HG2 LYS 45 HG2 LYS 45 25.151 14.751 -3.762 352 HG3 LYS 45 HG1 LYS 45 26.154 15.531 -2.537 353 HD2 LYS 45 HD2 LYS 45 26.374 12.666 -3.464 354 HD3 LYS 45 HD1 LYS 45 27.475 13.982 -3.877 355 HE2 LYS 45 HE2 LYS 45 28.152 14.197 -1.571 356 HE3 LYS 45 HE1 LYS 45 26.957 13.000 -1.073 357 HZ1 LYS 45 HZ1 LYS 45 29.131 12.005 -1.200 358 HZ2 LYS 45 HZ2 LYS 45 29.318 12.507 -2.809 359 HZ3 LYS 45 HZ3 LYS 45 28.143 11.345 -2.410 360 H ALA 46 HN ALA 46 22.085 13.091 -2.620 361 HA ALA 46 HA ALA 46 22.021 13.933 -5.312 362 HB1 ALA 46 HB1 ALA 46 20.393 12.151 -5.638 363 HB2 ALA 46 HB2 ALA 46 20.198 11.998 -3.892 364 HB3 ALA 46 HB3 ALA 46 21.743 11.601 -4.645 365 H VAL 47 HN VAL 47 19.540 14.095 -2.737 366 HA VAL 47 HA VAL 47 17.583 15.305 -4.383 367 HB VAL 47 HB VAL 47 17.009 14.186 -2.265 368 HG11 VAL 47 HG11 VAL 47 17.281 15.350 -0.129 369 HG12 VAL 47 HG12 VAL 47 18.224 16.600 -0.940 370 HG13 VAL 47 HG13 VAL 47 18.834 14.947 -0.864 371 HG21 VAL 47 HG21 VAL 47 16.150 17.069 -2.416 372 HG22 VAL 47 HG22 VAL 47 15.327 15.802 -1.507 373 HG23 VAL 47 HG23 VAL 47 15.414 15.711 -3.267 374 H ALA 48 HN ALA 48 20.114 16.701 -2.334 375 HA ALA 48 HA ALA 48 19.276 19.395 -2.727 376 HB1 ALA 48 HB1 ALA 48 20.730 18.742 -0.867 377 HB2 ALA 48 HB2 ALA 48 21.460 20.014 -1.848 378 HB3 ALA 48 HB3 ALA 48 22.012 18.347 -2.011 379 H ASN 49 HN ASN 49 21.433 17.213 -4.426 380 HA ASN 49 HA ASN 49 22.590 19.055 -6.203 381 HB2 ASN 49 HB2 ASN 49 23.516 16.827 -5.931 382 HB3 ASN 49 HB1 ASN 49 22.032 16.099 -6.535 383 HD21 ASN 49 HD21 ASN 49 24.954 17.780 -7.374 384 HD22 ASN 49 HD22 ASN 49 24.844 17.525 -9.082 385 H GLU 50 HN GLU 50 19.720 16.963 -6.597 386 HA GLU 50 HA GLU 50 19.114 18.034 -9.173 387 HB2 GLU 50 HB2 GLU 50 17.012 16.791 -9.007 388 HB3 GLU 50 HB1 GLU 50 18.388 15.790 -8.576 389 HG2 GLU 50 HG2 GLU 50 17.844 16.238 -6.172 390 HG3 GLU 50 HG1 GLU 50 16.364 17.016 -6.725 391 H LEU 51 HN LEU 51 18.209 18.850 -5.891 392 HA LEU 51 HA LEU 51 16.127 20.646 -6.527 393 HB2 LEU 51 HB2 LEU 51 16.577 19.759 -4.258 394 HB3 LEU 51 HB1 LEU 51 18.036 20.730 -4.189 395 HG LEU 51 HG LEU 51 16.735 22.781 -4.237 396 HD11 LEU 51 HD11 LEU 51 14.902 22.036 -5.654 397 HD12 LEU 51 HD12 LEU 51 14.294 22.740 -4.155 398 HD13 LEU 51 HD13 LEU 51 14.317 20.988 -4.363 399 HD21 LEU 51 HD21 LEU 51 17.167 21.734 -2.071 400 HD22 LEU 51 HD22 LEU 51 15.667 20.817 -2.211 401 HD23 LEU 51 HD23 LEU 51 15.617 22.575 -2.077 402 H MET 52 HN MET 52 19.630 21.041 -6.259 403 HA MET 52 HA MET 52 19.656 23.833 -6.810 404 HB2 MET 52 HB2 MET 52 21.741 21.674 -7.012 405 HB3 MET 52 HB1 MET 52 22.073 23.315 -7.544 406 HG2 MET 52 HG2 MET 52 21.560 24.130 -5.281 407 HG3 MET 52 HG1 MET 52 21.289 22.465 -4.762 408 HE1 MET 52 HE1 MET 52 23.395 24.744 -3.607 409 HE2 MET 52 HE2 MET 52 24.758 23.708 -3.189 410 HE3 MET 52 HE3 MET 52 23.115 23.200 -2.800 411 H ARG 53 HN ARG 53 19.577 20.958 -8.782 412 HA ARG 53 HA ARG 53 20.479 21.985 -11.214 413 HB2 ARG 53 HB2 ARG 53 20.050 19.561 -10.630 414 HB3 ARG 53 HB1 ARG 53 18.342 19.874 -10.904 415 HG2 ARG 53 HG2 ARG 53 19.050 18.967 -12.914 416 HG3 ARG 53 HG1 ARG 53 19.079 20.705 -13.224 417 HD2 ARG 53 HD2 ARG 53 21.100 19.843 -14.102 418 HD3 ARG 53 HD1 ARG 53 21.525 20.648 -12.591 419 HE ARG 53 HE ARG 53 21.031 17.763 -12.524 420 HH11 ARG 53 HH11 ARG 53 23.323 20.419 -12.394 421 HH12 ARG 53 HH12 ARG 53 24.616 19.430 -11.796 422 HH21 ARG 53 HH21 ARG 53 22.747 16.466 -11.748 423 HH22 ARG 53 HH22 ARG 53 24.294 17.192 -11.423 424 H LEU 54 HN LEU 54 17.200 21.915 -9.850 425 HA LEU 54 HA LEU 54 16.053 23.112 -12.203 426 HB2 LEU 54 HB2 LEU 54 14.972 22.335 -9.518 427 HB3 LEU 54 HB1 LEU 54 14.025 23.348 -10.588 428 HG LEU 54 HG LEU 54 13.292 21.093 -10.865 429 HD11 LEU 54 HD11 LEU 54 13.716 20.719 -13.244 430 HD12 LEU 54 HD12 LEU 54 15.031 21.892 -13.189 431 HD13 LEU 54 HD13 LEU 54 13.372 22.413 -12.894 432 HD21 LEU 54 HD21 LEU 54 15.243 19.929 -9.994 433 HD22 LEU 54 HD22 LEU 54 16.162 20.367 -11.434 434 HD23 LEU 54 HD23 LEU 54 14.778 19.284 -11.569 435 H GLY 55 HN GLY 55 17.415 24.249 -9.242 436 HA2 GLY 55 HA2 GLY 55 18.189 26.481 -9.029 437 HA3 GLY 55 HA1 GLY 55 16.966 26.986 -10.184 438 H ASP 56 HN ASP 56 16.918 25.245 -7.084 439 HA ASP 56 HA ASP 56 15.144 27.352 -6.033 440 HB2 ASP 56 HB2 ASP 56 14.888 24.363 -5.815 441 HB3 ASP 56 HB1 ASP 56 14.222 25.405 -4.563 442 H PHE 57 HN PHE 57 17.995 27.175 -5.870 443 HA PHE 57 HA PHE 57 18.351 26.872 -2.983 444 HB2 PHE 57 HB2 PHE 57 19.148 24.900 -4.763 445 HB3 PHE 57 HB1 PHE 57 20.618 25.828 -4.498 446 HD1 PHE 57 HD1 PHE 57 21.497 26.083 -2.181 447 HD2 PHE 57 HD2 PHE 57 18.302 23.447 -3.133 448 HE1 PHE 57 HE1 PHE 57 21.866 24.879 -0.066 449 HE2 PHE 57 HE2 PHE 57 18.666 22.236 -1.024 450 HZ PHE 57 HZ PHE 57 20.446 22.952 0.517 451 H ASP 58 HN ASP 58 20.400 27.846 -2.242 452 HA ASP 58 HA ASP 58 21.206 30.146 -3.835 453 HB2 ASP 58 HB2 ASP 58 20.816 30.307 -1.346 454 HB3 ASP 58 HB1 ASP 58 22.206 29.255 -1.112 455 H GLN 59 HN GLN 59 23.489 30.489 -4.373 456 HA GLN 59 HA GLN 59 24.692 28.049 -5.286 457 HB2 GLN 59 HB2 GLN 59 25.666 30.904 -5.483 458 HB3 GLN 59 HB1 GLN 59 26.430 29.525 -6.263 459 HG2 GLN 59 HG2 GLN 59 23.674 30.612 -6.797 460 HG3 GLN 59 HG1 GLN 59 25.079 30.695 -7.859 461 HE21 GLN 59 HE21 GLN 59 25.758 28.837 -8.947 462 HE22 GLN 59 HE22 GLN 59 24.722 27.463 -9.124 463 H ILE 60 HN ILE 60 24.896 27.208 -3.102 464 HA ILE 60 HA ILE 60 27.459 27.995 -1.872 465 HB ILE 60 HB ILE 60 26.574 27.052 0.256 466 HG12 ILE 60 HG12 ILE 60 23.927 27.034 -1.218 467 HG13 ILE 60 HG11 ILE 60 24.843 25.601 -0.762 468 HG21 ILE 60 HG21 ILE 60 26.551 29.446 -0.123 469 HG22 ILE 60 HG22 ILE 60 25.126 28.959 0.795 470 HG23 ILE 60 HG23 ILE 60 24.985 29.324 -0.924 471 HD11 ILE 60 HD11 ILE 60 24.555 26.164 1.589 472 HD12 ILE 60 HD12 ILE 60 23.002 26.015 0.767 473 HD13 ILE 60 HD13 ILE 60 23.655 27.612 1.134 474 H ASP 61 HN ASP 61 27.978 25.853 -0.295 475 HA ASP 61 HA ASP 61 28.026 23.651 -2.250 476 HB2 ASP 61 HB2 ASP 61 30.082 22.933 -1.434 477 HB3 ASP 61 HB1 ASP 61 30.230 24.679 -1.319 478 H ILE 62 HN ILE 62 26.867 21.932 -1.851 479 HA ILE 62 HA ILE 62 25.933 21.385 0.863 480 HB ILE 62 HB ILE 62 25.158 20.219 -1.812 481 HG12 ILE 62 HG12 ILE 62 24.213 22.413 -1.328 482 HG13 ILE 62 HG11 ILE 62 22.956 21.185 -1.271 483 HG21 ILE 62 HG21 ILE 62 23.491 18.868 -0.630 484 HG22 ILE 62 HG22 ILE 62 24.156 19.405 0.912 485 HG23 ILE 62 HG23 ILE 62 25.136 18.421 -0.174 486 HD11 ILE 62 HD11 ILE 62 24.322 22.417 1.108 487 HD12 ILE 62 HD12 ILE 62 23.056 21.191 1.163 488 HD13 ILE 62 HD13 ILE 62 22.701 22.797 0.524 489 H GLY 63 HN GLY 63 27.895 20.058 -1.719 490 HA2 GLY 63 HA2 GLY 63 28.152 17.429 -0.902 491 HA3 GLY 63 HA1 GLY 63 29.345 18.302 -1.845 492 H VAL 64 HN VAL 64 30.221 20.184 0.004 493 HA VAL 64 HA VAL 64 31.979 18.513 1.535 494 HB VAL 64 HB VAL 64 31.736 21.530 1.513 495 HG11 VAL 64 HG11 VAL 64 33.953 19.751 2.535 496 HG12 VAL 64 HG12 VAL 64 32.856 20.717 3.521 497 HG13 VAL 64 HG13 VAL 64 34.005 21.512 2.445 498 HG21 VAL 64 HG21 VAL 64 33.597 19.702 -0.005 499 HG22 VAL 64 HG22 VAL 64 33.668 21.465 0.005 500 HG23 VAL 64 HG23 VAL 64 32.271 20.642 -0.690 501 H VAL 65 HN VAL 65 29.411 20.830 2.288 502 HA VAL 65 HA VAL 65 29.648 20.869 5.055 503 HB VAL 65 HB VAL 65 27.186 21.197 3.333 504 HG11 VAL 65 HG11 VAL 65 26.154 22.299 5.274 505 HG12 VAL 65 HG12 VAL 65 27.534 21.828 6.265 506 HG13 VAL 65 HG13 VAL 65 26.479 20.591 5.582 507 HG21 VAL 65 HG21 VAL 65 27.540 23.577 3.734 508 HG22 VAL 65 HG22 VAL 65 28.949 22.845 2.964 509 HG23 VAL 65 HG23 VAL 65 28.973 23.208 4.691 510 H ILE 66 HN ILE 66 27.797 18.594 3.032 511 HA ILE 66 HA ILE 66 26.478 17.458 5.308 512 HB ILE 66 HB ILE 66 25.515 15.837 3.746 513 HG12 ILE 66 HG12 ILE 66 27.240 17.214 1.670 514 HG13 ILE 66 HG11 ILE 66 27.480 15.575 2.270 515 HG21 ILE 66 HG21 ILE 66 24.454 17.992 4.035 516 HG22 ILE 66 HG22 ILE 66 24.291 17.460 2.361 517 HG23 ILE 66 HG23 ILE 66 25.482 18.690 2.784 518 HD11 ILE 66 HD11 ILE 66 26.398 15.575 0.103 519 HD12 ILE 66 HD12 ILE 66 25.086 16.565 0.742 520 HD13 ILE 66 HD13 ILE 66 25.324 14.923 1.342 521 H THR 67 HN THR 67 29.266 16.480 3.361 522 HA THR 67 HA THR 67 29.339 13.944 4.795 523 HB THR 67 HB THR 67 31.245 13.396 3.287 524 HG1 THR 67 HG1 THR 67 32.147 15.210 2.569 525 HG21 THR 67 HG21 THR 67 28.722 14.318 1.891 526 HG22 THR 67 HG22 THR 67 28.947 12.766 2.701 527 HG23 THR 67 HG23 THR 67 29.888 13.152 1.260 528 H HIS 68 HN HIS 68 30.671 17.056 4.972 529 HA HIS 68 HA HIS 68 32.642 16.072 6.927 530 HB2 HIS 68 HB2 HIS 68 33.705 17.055 4.870 531 HB3 HIS 68 HB1 HIS 68 32.932 18.585 5.261 532 HD1 HIS 68 HD1 HIS 68 35.771 16.384 6.202 533 HD2 HIS 68 HD2 HIS 68 34.048 19.942 7.499 534 HE1 HIS 68 HE1 HIS 68 37.449 17.427 7.761 535 HE2 HIS 68 HE2 HIS 68 36.463 19.658 8.387 536 H PHE 69 HN PHE 69 30.904 16.234 8.433 537 HA PHE 69 HA PHE 69 29.549 18.574 9.102 538 HB2 PHE 69 HB2 PHE 69 30.375 16.182 10.736 539 HB3 PHE 69 HB1 PHE 69 29.464 17.513 11.435 540 HD1 PHE 69 HD1 PHE 69 29.365 14.749 9.020 541 HD2 PHE 69 HD2 PHE 69 27.157 17.816 10.972 542 HE1 PHE 69 HE1 PHE 69 27.265 13.714 8.265 543 HE2 PHE 69 HE2 PHE 69 25.053 16.790 10.221 544 HZ PHE 69 HZ PHE 69 25.105 14.733 8.867 545 H THR 70 HN THR 70 29.963 20.250 10.455 546 HA THR 70 HA THR 70 32.685 20.748 11.300 547 HB THR 70 HB THR 70 30.220 22.384 11.953 548 HG1 THR 70 HG1 THR 70 31.571 22.022 9.542 549 HG21 THR 70 HG21 THR 70 33.125 23.152 11.639 550 HG22 THR 70 HG22 THR 70 32.260 22.995 13.168 551 HG23 THR 70 HG23 THR 70 31.802 24.252 12.019 552 H ASP 71 HN ASP 71 33.158 21.216 13.633 553 HA ASP 71 HA ASP 71 31.783 19.293 15.325 554 HB2 ASP 71 HB2 ASP 71 34.298 19.557 15.301 555 HB3 ASP 71 HB1 ASP 71 34.071 21.109 16.105 556 H GLU 72 HN GLU 72 32.371 22.770 15.223 557 HA GLU 72 HA GLU 72 30.807 23.357 17.537 558 HB2 GLU 72 HB2 GLU 72 31.828 25.097 15.285 559 HB3 GLU 72 HB1 GLU 72 30.952 25.727 16.668 560 HG2 GLU 72 HG2 GLU 72 33.349 26.032 16.916 561 HG3 GLU 72 HG1 GLU 72 32.706 24.964 18.161 562 H LEU 73 HN LEU 73 30.231 23.437 14.062 563 HA LEU 73 HA LEU 73 27.442 24.199 14.508 564 HB2 LEU 73 HB2 LEU 73 29.152 24.124 12.022 565 HB3 LEU 73 HB1 LEU 73 27.424 24.392 11.970 566 HG LEU 73 HG LEU 73 28.410 26.521 11.790 567 HD11 LEU 73 HD11 LEU 73 27.710 27.683 13.829 568 HD12 LEU 73 HD12 LEU 73 27.590 26.132 14.661 569 HD13 LEU 73 HD13 LEU 73 26.526 26.487 13.300 570 HD21 LEU 73 HD21 LEU 73 30.085 27.392 13.345 571 HD22 LEU 73 HD22 LEU 73 30.665 25.958 12.501 572 HD23 LEU 73 HD23 LEU 73 30.124 25.837 14.176 573 HA PRO 74 HA PRO 74 25.813 24.186 12.730 574 HB2 PRO 74 HB2 PRO 74 23.301 23.231 12.646 575 HB3 PRO 74 HB1 PRO 74 24.418 23.046 11.287 576 HG2 PRO 74 HG2 PRO 74 23.607 21.057 13.359 577 HG3 PRO 74 HG1 PRO 74 23.890 20.820 11.624 578 HD2 PRO 74 HD2 PRO 74 25.700 20.205 13.618 579 HD3 PRO 74 HD1 PRO 74 26.127 20.511 11.923 580 H SER 75 HN SER 75 24.613 25.572 14.034 581 HA SER 75 HA SER 75 24.645 25.037 16.826 582 HB2 SER 75 HB2 SER 75 23.215 27.298 16.667 583 HB3 SER 75 HB1 SER 75 24.966 27.275 16.440 584 HG SER 75 HG SER 75 23.214 28.169 14.741 585 HA PRO 76 HA PRO 76 20.903 22.683 17.129 586 HB2 PRO 76 HB2 PRO 76 20.390 23.504 19.777 587 HB3 PRO 76 HB1 PRO 76 21.254 22.053 19.264 588 HG2 PRO 76 HG2 PRO 76 22.317 24.669 20.173 589 HG3 PRO 76 HG1 PRO 76 23.005 23.047 20.356 590 HD2 PRO 76 HD2 PRO 76 23.992 24.814 18.591 591 HD3 PRO 76 HD1 PRO 76 23.949 23.072 18.245 592 H GLU 77 HN GLU 77 20.933 26.005 18.388 593 HA GLU 77 HA GLU 77 18.158 26.404 18.404 594 HB2 GLU 77 HB2 GLU 77 18.734 28.835 18.322 595 HB3 GLU 77 HB1 GLU 77 19.590 27.937 19.568 596 HG2 GLU 77 HG2 GLU 77 21.523 27.770 18.032 597 HG3 GLU 77 HG1 GLU 77 20.659 28.817 16.912 598 H ASP 78 HN ASP 78 20.539 26.986 15.834 599 HA ASP 78 HA ASP 78 18.607 28.033 14.010 600 HB2 ASP 78 HB2 ASP 78 21.421 27.013 13.617 601 HB3 ASP 78 HB1 ASP 78 20.442 27.648 12.299 602 H VAL 79 HN VAL 79 19.976 24.874 14.643 603 HA VAL 79 HA VAL 79 18.801 23.402 12.581 604 HB VAL 79 HB VAL 79 19.306 22.622 15.465 605 HG11 VAL 79 HG11 VAL 79 19.188 20.298 14.709 606 HG12 VAL 79 HG12 VAL 79 18.706 20.847 13.104 607 HG13 VAL 79 HG13 VAL 79 17.650 21.132 14.489 608 HG21 VAL 79 HG21 VAL 79 21.304 21.523 14.553 609 HG22 VAL 79 HG22 VAL 79 21.318 23.263 14.264 610 HG23 VAL 79 HG23 VAL 79 20.911 22.154 12.954 611 H GLU 80 HN GLU 80 17.538 24.357 15.741 612 HA GLU 80 HA GLU 80 14.980 23.192 15.381 613 HB2 GLU 80 HB2 GLU 80 16.046 25.281 17.274 614 HB3 GLU 80 HB1 GLU 80 14.394 24.696 17.350 615 HG2 GLU 80 HG2 GLU 80 15.313 22.383 17.586 616 HG3 GLU 80 HG1 GLU 80 16.915 23.100 17.717 617 H ARG 81 HN ARG 81 16.353 26.315 14.590 618 HA ARG 81 HA ARG 81 13.924 27.632 13.976 619 HB2 ARG 81 HB2 ARG 81 16.755 28.118 13.050 620 HB3 ARG 81 HB1 ARG 81 15.406 29.162 12.613 621 HG2 ARG 81 HG2 ARG 81 15.029 29.756 14.885 622 HG3 ARG 81 HG1 ARG 81 16.178 28.544 15.451 623 HD2 ARG 81 HD2 ARG 81 17.986 29.775 14.297 624 HD3 ARG 81 HD1 ARG 81 16.816 31.017 13.845 625 HE ARG 81 HE ARG 81 16.455 31.169 16.383 626 HH11 ARG 81 HH11 ARG 81 19.549 30.570 14.816 627 HH12 ARG 81 HH12 ARG 81 20.468 31.110 16.190 628 HH21 ARG 81 HH21 ARG 81 17.680 31.878 18.164 629 HH22 ARG 81 HH22 ARG 81 19.423 31.854 18.068 630 H VAL 82 HN VAL 82 16.238 25.854 11.906 631 HA VAL 82 HA VAL 82 14.668 26.179 9.556 632 HB VAL 82 HB VAL 82 17.140 25.513 9.642 633 HG11 VAL 82 HG11 VAL 82 16.935 23.630 11.179 634 HG12 VAL 82 HG12 VAL 82 17.636 23.127 9.639 635 HG13 VAL 82 HG13 VAL 82 15.944 22.766 9.999 636 HG21 VAL 82 HG21 VAL 82 15.844 25.606 7.580 637 HG22 VAL 82 HG22 VAL 82 15.296 23.947 7.844 638 HG23 VAL 82 HG23 VAL 82 17.005 24.278 7.553 639 H ARG 83 HN ARG 83 14.733 23.807 12.145 640 HA ARG 83 HA ARG 83 13.036 21.889 11.025 641 HB2 ARG 83 HB2 ARG 83 14.275 21.631 13.179 642 HB3 ARG 83 HB1 ARG 83 13.134 22.740 13.927 643 HG2 ARG 83 HG2 ARG 83 11.307 21.181 13.414 644 HG3 ARG 83 HG1 ARG 83 12.478 20.060 12.720 645 HD2 ARG 83 HD2 ARG 83 13.627 19.973 14.916 646 HD3 ARG 83 HD1 ARG 83 12.355 20.998 15.585 647 HE ARG 83 HE ARG 83 11.800 18.340 14.417 648 HH11 ARG 83 HH11 ARG 83 11.499 20.644 17.039 649 HH12 ARG 83 HH12 ARG 83 10.288 19.727 17.881 650 HH21 ARG 83 HH21 ARG 83 10.240 17.113 15.534 651 HH22 ARG 83 HH22 ARG 83 9.584 17.701 17.034 652 H ALA 84 HN ALA 84 12.291 24.813 12.906 653 HA ALA 84 HA ALA 84 9.485 24.574 12.793 654 HB1 ALA 84 HB1 ALA 84 9.439 26.938 13.385 655 HB2 ALA 84 HB2 ALA 84 11.152 27.078 12.994 656 HB3 ALA 84 HB3 ALA 84 10.637 26.071 14.345 657 H ARG 85 HN ARG 85 11.784 26.255 10.687 658 HA ARG 85 HA ARG 85 10.054 27.477 8.895 659 HB2 ARG 85 HB2 ARG 85 12.839 26.459 8.776 660 HB3 ARG 85 HB1 ARG 85 12.054 26.778 7.237 661 HG2 ARG 85 HG2 ARG 85 12.139 28.828 9.423 662 HG3 ARG 85 HG1 ARG 85 13.461 28.633 8.269 663 HD2 ARG 85 HD2 ARG 85 11.591 28.811 6.480 664 HD3 ARG 85 HD1 ARG 85 10.640 29.514 7.787 665 HE ARG 85 HE ARG 85 12.728 31.063 7.957 666 HH11 ARG 85 HH11 ARG 85 11.272 29.832 5.013 667 HH12 ARG 85 HH12 ARG 85 11.773 31.193 4.046 668 HH21 ARG 85 HH21 ARG 85 13.409 32.831 6.680 669 HH22 ARG 85 HH22 ARG 85 12.984 32.891 4.991 670 H LEU 86 HN LEU 86 11.440 24.213 8.704 671 HA LEU 86 HA LEU 86 10.108 23.664 6.228 672 HB2 LEU 86 HB2 LEU 86 11.951 22.175 8.032 673 HB3 LEU 86 HB1 LEU 86 11.012 21.263 6.868 674 HG LEU 86 HG LEU 86 13.290 21.803 6.064 675 HD11 LEU 86 HD11 LEU 86 11.472 21.441 4.472 676 HD12 LEU 86 HD12 LEU 86 12.631 22.624 3.866 677 HD13 LEU 86 HD13 LEU 86 11.082 23.160 4.519 678 HD21 LEU 86 HD21 LEU 86 13.867 24.073 5.445 679 HD22 LEU 86 HD22 LEU 86 13.547 23.967 7.176 680 HD23 LEU 86 HD23 LEU 86 12.336 24.659 6.096 681 H ALA 87 HN ALA 87 9.601 22.744 9.612 682 HA ALA 87 HA ALA 87 7.708 20.708 9.131 683 HB1 ALA 87 HB1 ALA 87 7.975 22.447 11.579 684 HB2 ALA 87 HB2 ALA 87 8.877 20.964 11.269 685 HB3 ALA 87 HB3 ALA 87 7.127 20.904 11.483 686 H ALA 88 HN ALA 88 7.429 24.153 9.185 687 HA ALA 88 HA ALA 88 4.677 24.403 9.679 688 HB1 ALA 88 HB1 ALA 88 6.455 26.194 8.029 689 HB2 ALA 88 HB2 ALA 88 6.230 26.289 9.777 690 HB3 ALA 88 HB3 ALA 88 4.878 26.622 8.694 691 H GLN 89 HN GLN 89 6.471 23.617 6.777 692 HA GLN 89 HA GLN 89 3.997 23.698 5.200 693 HB2 GLN 89 HB2 GLN 89 6.904 23.716 4.468 694 HB3 GLN 89 HB1 GLN 89 5.711 23.181 3.294 695 HG2 GLN 89 HG2 GLN 89 6.183 25.484 2.901 696 HG3 GLN 89 HG1 GLN 89 4.551 25.354 3.549 697 HE21 GLN 89 HE21 GLN 89 7.792 26.422 4.132 698 HE22 GLN 89 HE22 GLN 89 7.452 27.350 5.551 699 H GLY 90 HN GLY 90 5.273 21.588 7.172 700 HA2 GLY 90 HA2 GLY 90 4.067 19.372 6.955 701 HA3 GLY 90 HA1 GLY 90 4.864 19.267 5.391 702 H TRP 91 HN TRP 91 5.256 17.224 7.122 703 HA TRP 91 HA TRP 91 8.106 17.469 7.598 704 HB2 TRP 91 HB2 TRP 91 6.818 18.162 9.730 705 HB3 TRP 91 HB1 TRP 91 6.417 16.453 9.873 706 HD1 TRP 91 HD1 TRP 91 8.111 15.039 11.193 707 HE1 TRP 91 HE1 TRP 91 10.546 15.355 11.978 708 HE3 TRP 91 HE3 TRP 91 9.161 19.452 8.842 709 HZ2 TRP 91 HZ2 TRP 91 12.634 17.223 11.634 710 HZ3 TRP 91 HZ3 TRP 91 11.398 20.438 9.116 711 HH2 TRP 91 HH2 TRP 91 13.101 19.345 10.485 712 HA PRO 92 HA PRO 92 6.785 13.431 5.847 713 HB2 PRO 92 HB2 PRO 92 9.190 13.622 4.234 714 HB3 PRO 92 HB1 PRO 92 7.505 13.598 3.711 715 HG2 PRO 92 HG2 PRO 92 9.121 15.792 3.523 716 HG3 PRO 92 HG1 PRO 92 7.357 15.878 3.667 717 HD2 PRO 92 HD2 PRO 92 9.460 16.293 5.745 718 HD3 PRO 92 HD1 PRO 92 7.921 17.148 5.506 719 H LEU 93 HN LEU 93 9.454 14.540 7.577 720 HA LEU 93 HA LEU 93 11.086 12.227 7.553 721 HB2 LEU 93 HB2 LEU 93 10.908 14.691 9.189 722 HB3 LEU 93 HB1 LEU 93 11.698 13.314 9.933 723 HG LEU 93 HG LEU 93 13.311 13.217 8.099 724 HD11 LEU 93 HD11 LEU 93 11.914 14.045 6.295 725 HD12 LEU 93 HD12 LEU 93 13.395 14.994 6.423 726 HD13 LEU 93 HD13 LEU 93 11.875 15.645 7.039 727 HD21 LEU 93 HD21 LEU 93 13.038 15.963 9.309 728 HD22 LEU 93 HD22 LEU 93 14.501 15.292 8.588 729 HD23 LEU 93 HD23 LEU 93 13.828 14.570 10.048 730 H ASP 94 HN ASP 94 8.494 13.335 9.691 731 HA ASP 94 HA ASP 94 7.470 12.378 11.495 732 HB2 ASP 94 HB2 ASP 94 6.419 11.173 9.627 733 HB3 ASP 94 HB1 ASP 94 7.686 9.954 9.690 734 H ASP 95 HN ASP 95 9.404 12.707 12.803 735 HA ASP 95 HA ASP 95 11.334 10.554 12.858 736 HB2 ASP 95 HB2 ASP 95 11.907 13.040 12.923 737 HB3 ASP 95 HB1 ASP 95 11.405 12.983 14.607 738 H VAL 96 HN VAL 96 11.826 9.296 14.483 739 HA VAL 96 HA VAL 96 10.392 9.365 17.012 740 HB VAL 96 HB VAL 96 10.375 6.848 15.319 741 HG11 VAL 96 HG11 VAL 96 10.408 6.444 17.710 742 HG12 VAL 96 HG12 VAL 96 8.841 6.002 17.030 743 HG13 VAL 96 HG13 VAL 96 9.020 7.510 17.928 744 HG21 VAL 96 HG21 VAL 96 8.066 8.706 15.879 745 HG22 VAL 96 HG22 VAL 96 7.971 7.156 15.041 746 HG23 VAL 96 HG23 VAL 96 8.870 8.496 14.324 747 H ARG 97 HN ARG 97 11.704 8.607 18.641 748 HA ARG 97 HA ARG 97 14.367 7.710 17.800 749 HB2 ARG 97 HB2 ARG 97 15.106 8.309 20.036 750 HB3 ARG 97 HB1 ARG 97 14.230 9.651 19.316 751 HG2 ARG 97 HG2 ARG 97 12.191 8.698 20.584 752 HG3 ARG 97 HG1 ARG 97 13.401 7.835 21.537 753 HD2 ARG 97 HD2 ARG 97 12.789 9.952 22.590 754 HD3 ARG 97 HD1 ARG 97 14.481 9.953 22.091 755 HE ARG 97 HE ARG 97 13.600 11.178 20.039 756 HH11 ARG 97 HH11 ARG 97 12.189 11.466 23.237 757 HH12 ARG 97 HH12 ARG 97 11.528 13.050 22.937 758 HH21 ARG 97 HH21 ARG 97 12.741 13.235 19.634 759 HH22 ARG 97 HH22 ARG 97 11.879 14.077 20.889 760 H ASP 98 HN ASP 98 15.422 6.129 19.416 761 HA ASP 98 HA ASP 98 13.679 3.800 19.568 762 HB2 ASP 98 HB2 ASP 98 15.900 3.464 18.631 763 HB3 ASP 98 HB1 ASP 98 16.645 4.131 20.080 764 H ARG 99 HN ARG 99 12.464 3.586 21.348 765 HA ARG 99 HA ARG 99 13.820 3.368 23.878 766 HB2 ARG 99 HB2 ARG 99 12.844 5.878 23.316 767 HB3 ARG 99 HB1 ARG 99 11.517 5.151 24.217 768 HG2 ARG 99 HG2 ARG 99 13.075 6.359 25.676 769 HG3 ARG 99 HG1 ARG 99 13.012 4.633 26.058 770 HD2 ARG 99 HD2 ARG 99 15.041 4.289 24.705 771 HD3 ARG 99 HD1 ARG 99 15.120 6.023 24.409 772 HE ARG 99 HE ARG 99 15.119 5.845 27.117 773 HH11 ARG 99 HH11 ARG 99 17.005 4.348 24.583 774 HH12 ARG 99 HH12 ARG 99 18.457 4.245 25.533 775 HH21 ARG 99 HH21 ARG 99 17.037 5.725 28.387 776 HH22 ARG 99 HH22 ARG 99 18.470 5.023 27.694 777 H GLU 100 HN GLU 100 12.118 1.880 21.917 778 HA GLU 100 HA GLU 100 9.725 1.201 23.339 779 HB2 GLU 100 HB2 GLU 100 11.155 -0.267 21.107 780 HB3 GLU 100 HB1 GLU 100 9.557 -0.668 21.717 781 HG2 GLU 100 HG2 GLU 100 9.100 0.528 19.798 782 HG3 GLU 100 HG1 GLU 100 8.936 1.744 21.061 783 H GLU 101 HN GLU 101 10.177 0.534 25.371 784 HA GLU 101 HA GLU 101 11.353 -2.028 25.815 785 HB2 GLU 101 HB2 GLU 101 13.215 -1.175 27.259 786 HB3 GLU 101 HB1 GLU 101 13.433 -0.838 25.546 787 HG2 GLU 101 HG2 GLU 101 12.599 1.449 25.911 788 HG3 GLU 101 HG1 GLU 101 12.464 1.103 27.633 789 H HIS 102 HN HIS 102 11.293 -2.632 28.085 790 HA HIS 102 HA HIS 102 10.354 -2.775 30.135 791 HB2 HIS 102 HB2 HIS 102 10.393 0.232 29.879 792 HB3 HIS 102 HB1 HIS 102 9.876 -0.598 31.343 793 HD1 HIS 102 HD1 HIS 102 12.780 0.875 29.889 794 HD2 HIS 102 HD2 HIS 102 12.056 -2.446 32.276 795 HE1 HIS 102 HE1 HIS 102 14.997 0.285 30.912 796 HE2 HIS 102 HE2 HIS 102 14.568 -1.850 32.187 797 H ALA 103 HN ALA 103 8.655 -2.881 27.762 798 HA ALA 103 HA ALA 103 6.131 -1.843 28.849 799 HB1 ALA 103 HB1 ALA 103 6.638 -1.225 26.538 800 HB2 ALA 103 HB2 ALA 103 5.198 -2.239 26.630 801 HB3 ALA 103 HB3 ALA 103 6.731 -2.931 26.100 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 0.932 5.633 -5.515 2 H2 GLY 1 HT2 GLY 1 0.697 5.745 -7.188 3 H3 GLY 1 HT3 GLY 1 1.568 6.949 -6.371 4 HA2 GLY 1 HA1 GLY 1 2.395 4.116 -6.699 5 HA3 GLY 1 HA2 GLY 1 3.069 5.490 -7.565 6 H SER 2 HN SER 2 3.149 3.622 -4.690 7 HA SER 2 HA SER 2 4.610 5.603 -3.171 8 HB2 SER 2 HB2 SER 2 3.999 2.702 -2.546 9 HB3 SER 2 HB1 SER 2 4.694 3.870 -1.421 10 HG SER 2 HG SER 2 2.656 4.193 -0.947 11 H HIS 3 HN HIS 3 6.403 5.944 -4.503 12 HA HIS 3 HA HIS 3 8.457 3.866 -4.229 13 HB2 HIS 3 HB2 HIS 3 7.768 5.411 -6.728 14 HB3 HIS 3 HB1 HIS 3 9.349 4.674 -6.494 15 HD1 HIS 3 HD1 HIS 3 6.155 3.974 -7.943 16 HD2 HIS 3 HD2 HIS 3 9.024 1.737 -5.925 17 HE1 HIS 3 HE1 HIS 3 5.683 1.576 -8.526 18 HE2 HIS 3 HE2 HIS 3 7.499 0.246 -7.392 19 H MET 4 HN MET 4 10.676 4.779 -4.498 20 HA MET 4 HA MET 4 11.029 6.888 -2.676 21 HB2 MET 4 HB2 MET 4 13.007 5.701 -4.632 22 HB3 MET 4 HB1 MET 4 13.426 6.768 -3.301 23 HG2 MET 4 HG2 MET 4 13.913 4.597 -2.563 24 HG3 MET 4 HG1 MET 4 12.413 5.050 -1.760 25 HE1 MET 4 HE1 MET 4 12.716 2.112 -5.309 26 HE2 MET 4 HE2 MET 4 14.107 2.813 -4.483 27 HE3 MET 4 HE3 MET 4 13.058 3.835 -5.466 28 H ASN 5 HN ASN 5 11.023 6.784 -6.188 29 HA ASN 5 HA ASN 5 12.024 9.304 -6.790 30 HB2 ASN 5 HB2 ASN 5 11.451 7.602 -8.489 31 HB3 ASN 5 HB1 ASN 5 9.741 7.864 -8.166 32 HD21 ASN 5 HD21 ASN 5 12.565 9.031 -9.741 33 HD22 ASN 5 HD22 ASN 5 11.812 10.340 -10.587 34 H ARG 6 HN ARG 6 8.685 8.365 -6.053 35 HA ARG 6 HA ARG 6 7.624 10.986 -6.278 36 HB2 ARG 6 HB2 ARG 6 6.321 8.830 -6.444 37 HB3 ARG 6 HB1 ARG 6 6.460 8.689 -4.698 38 HG2 ARG 6 HG2 ARG 6 4.310 9.608 -5.278 39 HG3 ARG 6 HG1 ARG 6 5.278 10.832 -4.452 40 HD2 ARG 6 HD2 ARG 6 5.864 11.823 -6.613 41 HD3 ARG 6 HD1 ARG 6 4.899 10.600 -7.435 42 HE ARG 6 HE ARG 6 3.245 11.889 -5.586 43 HH11 ARG 6 HH11 ARG 6 4.980 12.612 -8.543 44 HH12 ARG 6 HH12 ARG 6 3.884 13.863 -9.039 45 HH21 ARG 6 HH21 ARG 6 1.792 13.537 -6.234 46 HH22 ARG 6 HH22 ARG 6 2.076 14.403 -7.718 47 H PHE 7 HN PHE 7 8.900 9.081 -3.606 48 HA PHE 7 HA PHE 7 8.136 10.811 -1.513 49 HB2 PHE 7 HB2 PHE 7 8.879 8.501 -1.121 50 HB3 PHE 7 HB1 PHE 7 10.497 8.922 -1.668 51 HD1 PHE 7 HD2 PHE 7 7.967 9.794 0.914 52 HD2 PHE 7 HD1 PHE 7 12.088 9.634 -0.138 53 HE1 PHE 7 HE2 PHE 7 8.574 10.417 3.216 54 HE2 PHE 7 HE1 PHE 7 12.703 10.258 2.163 55 HZ PHE 7 HZ PHE 7 10.945 10.649 3.842 56 H LEU 8 HN LEU 8 11.148 10.572 -3.397 57 HA LEU 8 HA LEU 8 12.485 12.702 -2.143 58 HB2 LEU 8 HB2 LEU 8 12.754 11.658 -4.963 59 HB3 LEU 8 HB1 LEU 8 13.873 12.773 -4.203 60 HG LEU 8 HG LEU 8 13.331 9.943 -3.298 61 HD11 LEU 8 HD11 LEU 8 14.571 10.042 -5.393 62 HD12 LEU 8 HD12 LEU 8 15.602 9.498 -4.069 63 HD13 LEU 8 HD13 LEU 8 15.730 11.153 -4.663 64 HD21 LEU 8 HD21 LEU 8 15.315 11.979 -2.287 65 HD22 LEU 8 HD22 LEU 8 15.200 10.298 -1.765 66 HD23 LEU 8 HD23 LEU 8 13.879 11.418 -1.430 67 H THR 9 HN THR 9 10.278 12.608 -4.893 68 HA THR 9 HA THR 9 10.410 15.291 -5.662 69 HB THR 9 HB THR 9 8.002 13.455 -5.690 70 HG1 THR 9 HG1 THR 9 9.750 12.625 -6.906 71 HG21 THR 9 HG21 THR 9 7.169 14.907 -7.490 72 HG22 THR 9 HG22 THR 9 8.546 15.983 -7.252 73 HG23 THR 9 HG23 THR 9 7.347 15.789 -5.974 74 H SER 10 HN SER 10 8.415 13.685 -3.215 75 HA SER 10 HA SER 10 6.960 15.933 -2.371 76 HB2 SER 10 HB2 SER 10 6.326 13.623 -1.797 77 HB3 SER 10 HB1 SER 10 7.765 13.474 -0.790 78 HG SER 10 HG SER 10 5.386 14.858 -0.328 79 H ILE 11 HN ILE 11 10.040 14.563 -1.271 80 HA ILE 11 HA ILE 11 10.512 16.317 0.864 81 HB ILE 11 HB ILE 11 12.542 14.989 -0.941 82 HG12 ILE 11 HG12 ILE 11 11.090 13.357 0.117 83 HG13 ILE 11 HG11 ILE 11 12.677 13.307 0.877 84 HG21 ILE 11 HG21 ILE 11 12.882 16.197 1.801 85 HG22 ILE 11 HG22 ILE 11 13.539 16.831 0.292 86 HG23 ILE 11 HG23 ILE 11 14.110 15.286 0.922 87 HD11 ILE 11 HD11 ILE 11 10.232 14.669 1.986 88 HD12 ILE 11 HD12 ILE 11 11.821 14.612 2.752 89 HD13 ILE 11 HD13 ILE 11 10.899 13.126 2.521 90 H VAL 12 HN VAL 12 11.585 16.527 -2.530 91 HA VAL 12 HA VAL 12 12.897 18.973 -2.419 92 HB VAL 12 HB VAL 12 11.288 17.772 -4.681 93 HG11 VAL 12 HG11 VAL 12 12.473 19.322 -6.164 94 HG12 VAL 12 HG12 VAL 12 13.206 20.102 -4.763 95 HG13 VAL 12 HG13 VAL 12 11.460 20.186 -5.005 96 HG21 VAL 12 HG21 VAL 12 13.493 17.164 -5.572 97 HG22 VAL 12 HG22 VAL 12 13.207 16.441 -3.990 98 HG23 VAL 12 HG23 VAL 12 14.260 17.849 -4.139 99 H ALA 13 HN ALA 13 9.483 18.353 -3.212 100 HA ALA 13 HA ALA 13 8.686 21.014 -3.524 101 HB1 ALA 13 HB1 ALA 13 7.329 19.103 -4.233 102 HB2 ALA 13 HB2 ALA 13 6.412 20.198 -3.200 103 HB3 ALA 13 HB3 ALA 13 7.037 18.684 -2.546 104 H TRP 14 HN TRP 14 8.702 18.939 -0.663 105 HA TRP 14 HA TRP 14 7.552 20.742 1.145 106 HB2 TRP 14 HB2 TRP 14 7.683 18.465 1.767 107 HB3 TRP 14 HB1 TRP 14 9.411 18.394 1.460 108 HD1 TRP 14 HD1 TRP 14 7.311 20.663 3.830 109 HE1 TRP 14 HE1 TRP 14 8.376 20.545 6.171 110 HE3 TRP 14 HE3 TRP 14 11.074 17.383 2.805 111 HZ2 TRP 14 HZ2 TRP 14 10.554 19.215 7.412 112 HZ3 TRP 14 HZ3 TRP 14 12.603 16.731 4.614 113 HH2 TRP 14 HH2 TRP 14 12.350 17.619 6.868 114 H LEU 15 HN LEU 15 10.967 20.141 0.350 115 HA LEU 15 HA LEU 15 12.065 21.888 2.241 116 HB2 LEU 15 HB2 LEU 15 13.162 21.091 -0.453 117 HB3 LEU 15 HB1 LEU 15 14.081 21.889 0.809 118 HG LEU 15 HG LEU 15 12.932 19.104 0.870 119 HD11 LEU 15 HD11 LEU 15 15.755 20.146 1.036 120 HD12 LEU 15 HD12 LEU 15 15.019 19.347 -0.354 121 HD13 LEU 15 HD13 LEU 15 15.270 18.455 1.148 122 HD21 LEU 15 HD21 LEU 15 12.589 20.122 3.048 123 HD22 LEU 15 HD22 LEU 15 14.274 20.651 3.087 124 HD23 LEU 15 HD23 LEU 15 13.889 18.929 3.125 125 H ARG 16 HN ARG 16 11.244 22.476 -1.184 126 HA ARG 16 HA ARG 16 12.059 25.203 -1.041 127 HB2 ARG 16 HB2 ARG 16 10.855 25.456 -3.217 128 HB3 ARG 16 HB1 ARG 16 12.079 24.200 -3.194 129 HG2 ARG 16 HG2 ARG 16 10.401 22.492 -3.041 130 HG3 ARG 16 HG1 ARG 16 9.131 23.704 -2.871 131 HD2 ARG 16 HD2 ARG 16 9.233 22.800 -5.147 132 HD3 ARG 16 HD1 ARG 16 9.579 24.522 -5.109 133 HE ARG 16 HE ARG 16 11.477 22.373 -5.673 134 HH11 ARG 16 HH11 ARG 16 10.822 25.795 -5.330 135 HH12 ARG 16 HH12 ARG 16 12.230 26.284 -6.235 136 HH21 ARG 16 HH21 ARG 16 13.283 23.015 -6.934 137 HH22 ARG 16 HH22 ARG 16 13.603 24.710 -7.156 138 H ALA 17 HN ALA 17 8.970 23.557 -0.567 139 HA ALA 17 HA ALA 17 7.390 25.900 -0.379 140 HB1 ALA 17 HB1 ALA 17 5.740 24.504 0.740 141 HB2 ALA 17 HB2 ALA 17 6.944 23.238 0.969 142 HB3 ALA 17 HB3 ALA 17 6.413 23.666 -0.657 143 H GLY 18 HN GLY 18 9.543 24.284 1.813 144 HA2 GLY 18 HA2 GLY 18 8.736 25.681 4.166 145 HA3 GLY 18 HA1 GLY 18 10.247 24.815 3.936 146 H TYR 19 HN TYR 19 10.814 26.445 1.478 147 HA TYR 19 HA TYR 19 11.311 29.060 2.666 148 HB2 TYR 19 HB2 TYR 19 13.421 27.055 2.063 149 HB3 TYR 19 HB1 TYR 19 13.758 28.728 1.634 150 HD1 TYR 19 HD2 TYR 19 13.982 30.429 3.343 151 HD2 TYR 19 HD1 TYR 19 13.230 26.377 4.395 152 HE1 TYR 19 HE2 TYR 19 14.596 30.929 5.666 153 HE2 TYR 19 HE1 TYR 19 13.835 26.864 6.730 154 HH TYR 19 HH TYR 19 15.353 28.730 7.917 155 HA PRO 20 HA PRO 20 10.312 29.386 -1.841 156 HB2 PRO 20 HB2 PRO 20 8.388 31.268 -1.552 157 HB3 PRO 20 HB1 PRO 20 8.046 29.538 -1.427 158 HG2 PRO 20 HG2 PRO 20 8.435 31.555 0.747 159 HG3 PRO 20 HG1 PRO 20 7.245 30.246 0.635 160 HD2 PRO 20 HD2 PRO 20 9.521 30.075 2.126 161 HD3 PRO 20 HD1 PRO 20 8.732 28.666 1.389 162 H GLU 21 HN GLU 21 11.384 31.281 0.717 163 HA GLU 21 HA GLU 21 12.019 33.638 -0.853 164 HB2 GLU 21 HB2 GLU 21 13.073 34.386 1.312 165 HB3 GLU 21 HB1 GLU 21 11.350 34.040 1.414 166 HG2 GLU 21 HG2 GLU 21 11.831 31.862 2.390 167 HG3 GLU 21 HG1 GLU 21 13.560 32.173 2.257 168 H GLY 22 HN GLY 22 13.246 30.644 -0.709 169 HA2 GLY 22 HA2 GLY 22 15.294 29.934 -1.629 170 HA3 GLY 22 HA1 GLY 22 15.963 31.532 -1.310 171 H ILE 23 HN ILE 23 16.927 28.788 -0.603 172 HA ILE 23 HA ILE 23 16.754 28.833 2.309 173 HB ILE 23 HB ILE 23 18.141 26.817 0.526 174 HG12 ILE 23 HG12 ILE 23 16.195 25.347 1.428 175 HG13 ILE 23 HG11 ILE 23 15.397 26.878 1.765 176 HG21 ILE 23 HG21 ILE 23 17.535 26.743 3.478 177 HG22 ILE 23 HG22 ILE 23 19.127 26.925 2.742 178 HG23 ILE 23 HG23 ILE 23 18.229 25.421 2.539 179 HD11 ILE 23 HD11 ILE 23 15.548 27.466 -0.604 180 HD12 ILE 23 HD12 ILE 23 14.661 25.963 -0.349 181 HD13 ILE 23 HD13 ILE 23 16.325 25.916 -0.932 182 HA PRO 24 HA PRO 24 20.580 31.213 2.220 183 HB2 PRO 24 HB2 PRO 24 20.622 31.616 4.931 184 HB3 PRO 24 HB1 PRO 24 19.707 32.613 3.798 185 HG2 PRO 24 HG2 PRO 24 18.767 30.407 5.571 186 HG3 PRO 24 HG1 PRO 24 17.963 31.922 5.137 187 HD2 PRO 24 HD2 PRO 24 17.329 29.522 4.031 188 HD3 PRO 24 HD1 PRO 24 17.137 31.068 3.181 189 HA PRO 25 HA PRO 25 23.672 28.224 3.143 190 HB2 PRO 25 HB2 PRO 25 25.647 29.816 4.216 191 HB3 PRO 25 HB1 PRO 25 25.319 29.651 2.489 192 HG2 PRO 25 HG2 PRO 25 24.441 31.789 4.389 193 HG3 PRO 25 HG1 PRO 25 25.041 31.944 2.726 194 HD2 PRO 25 HD2 PRO 25 22.428 32.108 3.275 195 HD3 PRO 25 HD1 PRO 25 23.009 31.302 1.802 196 H THR 26 HN THR 26 22.364 30.137 5.687 197 HA THR 26 HA THR 26 23.705 28.745 7.823 198 HB THR 26 HB THR 26 21.850 29.889 9.205 199 HG1 THR 26 HG1 THR 26 20.329 30.446 7.713 200 HG21 THR 26 HG21 THR 26 23.766 31.569 7.583 201 HG22 THR 26 HG22 THR 26 24.141 30.727 9.087 202 HG23 THR 26 HG23 THR 26 22.989 32.062 9.087 203 H ASP 27 HN ASP 27 20.658 28.582 6.121 204 HA ASP 27 HA ASP 27 19.612 26.598 7.981 205 HB2 ASP 27 HB2 ASP 27 18.326 28.083 5.682 206 HB3 ASP 27 HB1 ASP 27 17.496 26.883 6.669 207 H SER 28 HN SER 28 21.129 26.775 4.922 208 HA SER 28 HA SER 28 20.079 24.477 3.696 209 HB2 SER 28 HB2 SER 28 22.302 24.466 2.473 210 HB3 SER 28 HB1 SER 28 21.402 25.981 2.390 211 HG SER 28 HG SER 28 23.768 26.002 2.969 212 H PHE 29 HN PHE 29 22.870 24.919 5.841 213 HA PHE 29 HA PHE 29 23.527 22.147 5.949 214 HB2 PHE 29 HB2 PHE 29 24.240 24.329 7.926 215 HB3 PHE 29 HB1 PHE 29 25.014 22.757 7.793 216 HD1 PHE 29 HD1 PHE 29 24.852 22.948 4.611 217 HD2 PHE 29 HD2 PHE 29 26.410 25.415 7.706 218 HE1 PHE 29 HE1 PHE 29 26.480 23.900 3.030 219 HE2 PHE 29 HE2 PHE 29 28.034 26.375 6.132 220 HZ PHE 29 HZ PHE 29 28.071 25.618 3.789 221 H ALA 30 HN ALA 30 21.338 24.224 7.641 222 HA ALA 30 HA ALA 30 20.785 22.530 9.849 223 HB1 ALA 30 HB1 ALA 30 18.804 23.917 10.158 224 HB2 ALA 30 HB2 ALA 30 19.041 24.629 8.563 225 HB3 ALA 30 HB3 ALA 30 20.226 24.913 9.839 226 H VAL 31 HN VAL 31 19.078 23.076 6.754 227 HA VAL 31 HA VAL 31 17.180 21.042 6.961 228 HB VAL 31 HB VAL 31 18.620 21.964 4.456 229 HG11 VAL 31 HG11 VAL 31 16.674 21.105 3.245 230 HG12 VAL 31 HG12 VAL 31 16.007 20.485 4.755 231 HG13 VAL 31 HG13 VAL 31 17.511 19.820 4.117 232 HG21 VAL 31 HG21 VAL 31 17.506 23.801 5.595 233 HG22 VAL 31 HG22 VAL 31 16.008 22.874 5.661 234 HG23 VAL 31 HG23 VAL 31 16.657 23.392 4.104 235 H LEU 32 HN LEU 32 20.505 20.974 5.798 236 HA LEU 32 HA LEU 32 20.785 18.320 5.093 237 HB2 LEU 32 HB2 LEU 32 22.637 19.596 4.637 238 HB3 LEU 32 HB1 LEU 32 22.588 20.417 6.183 239 HG LEU 32 HG LEU 32 23.425 18.307 7.245 240 HD11 LEU 32 HD11 LEU 32 23.874 17.471 4.387 241 HD12 LEU 32 HD12 LEU 32 22.739 16.736 5.519 242 HD13 LEU 32 HD13 LEU 32 24.474 16.635 5.819 243 HD21 LEU 32 HD21 LEU 32 25.739 18.648 6.503 244 HD22 LEU 32 HD22 LEU 32 24.899 20.175 6.787 245 HD23 LEU 32 HD23 LEU 32 25.150 19.597 5.137 246 H ALA 33 HN ALA 33 21.183 19.767 8.326 247 HA ALA 33 HA ALA 33 21.850 17.395 9.666 248 HB1 ALA 33 HB1 ALA 33 21.282 18.577 11.714 249 HB2 ALA 33 HB2 ALA 33 20.447 19.819 10.782 250 HB3 ALA 33 HB3 ALA 33 22.193 19.621 10.623 251 H LEU 34 HN LEU 34 18.704 18.930 9.107 252 HA LEU 34 HA LEU 34 17.205 17.050 10.607 253 HB2 LEU 34 HB2 LEU 34 16.562 19.145 8.591 254 HB3 LEU 34 HB1 LEU 34 15.336 17.948 8.939 255 HG LEU 34 HG LEU 34 14.919 19.885 10.287 256 HD11 LEU 34 HD11 LEU 34 16.110 17.678 11.957 257 HD12 LEU 34 HD12 LEU 34 14.459 17.748 11.339 258 HD13 LEU 34 HD13 LEU 34 15.004 18.924 12.535 259 HD21 LEU 34 HD21 LEU 34 17.731 19.569 11.320 260 HD22 LEU 34 HD22 LEU 34 16.536 20.725 11.910 261 HD23 LEU 34 HD23 LEU 34 17.149 20.853 10.261 262 H LEU 35 HN LEU 35 17.972 17.258 7.145 263 HA LEU 35 HA LEU 35 16.426 14.987 6.428 264 HB2 LEU 35 HB2 LEU 35 18.691 16.384 5.019 265 HB3 LEU 35 HB1 LEU 35 17.795 15.050 4.318 266 HG LEU 35 HG LEU 35 16.670 17.747 5.079 267 HD11 LEU 35 HD11 LEU 35 18.053 17.782 3.070 268 HD12 LEU 35 HD12 LEU 35 16.350 18.012 2.674 269 HD13 LEU 35 HD13 LEU 35 17.118 16.448 2.395 270 HD21 LEU 35 HD21 LEU 35 14.593 16.954 4.063 271 HD22 LEU 35 HD22 LEU 35 15.038 15.966 5.455 272 HD23 LEU 35 HD23 LEU 35 15.313 15.362 3.821 273 H CYS 36 HN CYS 36 19.787 15.396 7.404 274 HA CYS 36 HA CYS 36 20.685 12.843 6.574 275 HB2 CYS 36 HB2 CYS 36 22.159 14.796 7.110 276 HB3 CYS 36 HB1 CYS 36 21.806 14.535 8.814 277 HG CYS 36 HG CYS 36 22.763 11.666 8.134 278 H ARG 37 HN ARG 37 18.846 13.885 9.288 279 HA ARG 37 HA ARG 37 19.428 11.521 10.860 280 HB2 ARG 37 HB2 ARG 37 17.428 13.749 11.294 281 HB3 ARG 37 HB1 ARG 37 17.773 12.461 12.445 282 HG2 ARG 37 HG2 ARG 37 20.028 13.230 12.716 283 HG3 ARG 37 HG1 ARG 37 19.819 14.421 11.435 284 HD2 ARG 37 HD2 ARG 37 19.673 15.521 13.563 285 HD3 ARG 37 HD1 ARG 37 18.087 15.532 12.799 286 HE ARG 37 HE ARG 37 17.372 13.855 14.353 287 HH11 ARG 37 HH11 ARG 37 20.579 15.123 14.986 288 HH12 ARG 37 HH12 ARG 37 20.525 14.770 16.690 289 HH21 ARG 37 HH21 ARG 37 17.287 13.409 16.604 290 HH22 ARG 37 HH22 ARG 37 18.653 13.796 17.602 291 H ARG 38 HN ARG 38 17.516 12.237 8.253 292 HA ARG 38 HA ARG 38 15.586 10.118 8.916 293 HB2 ARG 38 HB2 ARG 38 14.445 12.157 8.335 294 HB3 ARG 38 HB1 ARG 38 15.434 12.362 6.896 295 HG2 ARG 38 HG2 ARG 38 13.431 11.560 6.057 296 HG3 ARG 38 HG1 ARG 38 14.440 10.119 6.136 297 HD2 ARG 38 HD2 ARG 38 12.333 10.949 8.126 298 HD3 ARG 38 HD1 ARG 38 12.197 9.657 6.941 299 HE ARG 38 HE ARG 38 14.384 8.989 8.450 300 HH11 ARG 38 HH11 ARG 38 10.997 9.627 9.069 301 HH12 ARG 38 HH12 ARG 38 10.934 8.645 10.506 302 HH21 ARG 38 HH21 ARG 38 14.309 7.664 10.312 303 HH22 ARG 38 HH22 ARG 38 12.808 7.491 11.187 304 H LEU 39 HN LEU 39 17.578 11.383 6.262 305 HA LEU 39 HA LEU 39 17.545 8.694 5.057 306 HB2 LEU 39 HB2 LEU 39 17.834 11.375 3.692 307 HB3 LEU 39 HB1 LEU 39 17.885 9.817 2.890 308 HG LEU 39 HG LEU 39 15.486 10.935 4.347 309 HD11 LEU 39 HD11 LEU 39 15.958 12.183 2.315 310 HD12 LEU 39 HD12 LEU 39 14.519 11.184 2.114 311 HD13 LEU 39 HD13 LEU 39 16.049 10.679 1.398 312 HD21 LEU 39 HD21 LEU 39 15.564 8.505 4.405 313 HD22 LEU 39 HD22 LEU 39 15.811 8.459 2.658 314 HD23 LEU 39 HD23 LEU 39 14.291 9.062 3.319 315 H SER 40 HN SER 40 19.550 8.627 3.397 316 HA SER 40 HA SER 40 21.834 8.844 5.163 317 HB2 SER 40 HB2 SER 40 21.788 7.724 2.359 318 HB3 SER 40 HB1 SER 40 22.957 7.390 3.639 319 HG SER 40 HG SER 40 20.294 6.516 3.368 320 H HIS 41 HN HIS 41 23.980 9.346 3.941 321 HA HIS 41 HA HIS 41 23.883 12.142 3.432 322 HB2 HIS 41 HB2 HIS 41 26.188 10.203 3.118 323 HB3 HIS 41 HB1 HIS 41 26.325 11.955 3.081 324 HD1 HIS 41 HD1 HIS 41 27.230 12.815 5.213 325 HD2 HIS 41 HD2 HIS 41 24.814 9.476 5.800 326 HE1 HIS 41 HE1 HIS 41 27.256 12.377 7.689 327 HE2 HIS 41 HE2 HIS 41 25.675 10.451 8.035 328 H ASP 42 HN ASP 42 23.929 9.299 1.436 329 HA ASP 42 HA ASP 42 24.604 10.633 -0.989 330 HB2 ASP 42 HB2 ASP 42 24.845 8.220 -0.834 331 HB3 ASP 42 HB1 ASP 42 23.119 8.037 -0.533 332 H GLU 43 HN GLU 43 21.513 9.691 0.506 333 HA GLU 43 HA GLU 43 19.830 10.729 -1.448 334 HB2 GLU 43 HB2 GLU 43 19.414 10.512 1.532 335 HB3 GLU 43 HB1 GLU 43 18.155 11.024 0.420 336 HG2 GLU 43 HG2 GLU 43 17.658 8.817 0.617 337 HG3 GLU 43 HG1 GLU 43 18.727 8.771 -0.783 338 H VAL 44 HN VAL 44 21.130 12.356 1.468 339 HA VAL 44 HA VAL 44 19.909 14.841 0.840 340 HB VAL 44 HB VAL 44 21.410 15.880 2.455 341 HG11 VAL 44 HG11 VAL 44 20.387 13.197 3.368 342 HG12 VAL 44 HG12 VAL 44 19.461 14.696 3.281 343 HG13 VAL 44 HG13 VAL 44 20.801 14.551 4.419 344 HG21 VAL 44 HG21 VAL 44 23.098 14.541 3.648 345 HG22 VAL 44 HG22 VAL 44 23.486 14.755 1.940 346 HG23 VAL 44 HG23 VAL 44 22.827 13.221 2.509 347 H LYS 45 HN LYS 45 23.036 13.450 -0.016 348 HA LYS 45 HA LYS 45 24.169 15.684 -1.273 349 HB2 LYS 45 HB2 LYS 45 25.609 13.846 -0.838 350 HB3 LYS 45 HB1 LYS 45 24.523 12.709 -1.628 351 HG2 LYS 45 HG2 LYS 45 25.699 14.839 -3.318 352 HG3 LYS 45 HG1 LYS 45 26.780 13.572 -2.735 353 HD2 LYS 45 HD2 LYS 45 25.205 11.879 -3.645 354 HD3 LYS 45 HD1 LYS 45 24.243 13.192 -4.324 355 HE2 LYS 45 HE2 LYS 45 26.169 13.904 -5.660 356 HE3 LYS 45 HE1 LYS 45 27.124 12.587 -4.979 357 HZ1 LYS 45 HZ1 LYS 45 26.300 11.949 -7.124 358 HZ2 LYS 45 HZ2 LYS 45 24.707 12.326 -6.689 359 HZ3 LYS 45 HZ3 LYS 45 25.502 11.023 -5.949 360 H ALA 46 HN ALA 46 22.015 13.164 -2.493 361 HA ALA 46 HA ALA 46 22.058 13.971 -5.195 362 HB1 ALA 46 HB1 ALA 46 19.901 12.470 -3.717 363 HB2 ALA 46 HB2 ALA 46 21.327 11.751 -4.468 364 HB3 ALA 46 HB3 ALA 46 20.109 12.545 -5.466 365 H VAL 47 HN VAL 47 19.674 14.628 -2.607 366 HA VAL 47 HA VAL 47 17.967 16.148 -4.280 367 HB VAL 47 HB VAL 47 17.149 15.132 -2.214 368 HG11 VAL 47 HG11 VAL 47 19.069 15.467 -0.770 369 HG12 VAL 47 HG12 VAL 47 17.611 16.134 -0.031 370 HG13 VAL 47 HG13 VAL 47 18.792 17.210 -0.780 371 HG21 VAL 47 HG21 VAL 47 15.802 17.016 -1.407 372 HG22 VAL 47 HG22 VAL 47 15.899 16.973 -3.167 373 HG23 VAL 47 HG23 VAL 47 16.870 18.132 -2.257 374 H ALA 48 HN ALA 48 20.610 17.100 -2.096 375 HA ALA 48 HA ALA 48 20.209 19.888 -2.333 376 HB1 ALA 48 HB1 ALA 48 22.780 18.409 -1.785 377 HB2 ALA 48 HB2 ALA 48 21.591 18.886 -0.574 378 HB3 ALA 48 HB3 ALA 48 22.475 20.117 -1.475 379 H ASN 49 HN ASN 49 22.291 17.634 -4.112 380 HA ASN 49 HA ASN 49 23.532 19.481 -5.802 381 HB2 ASN 49 HB2 ASN 49 24.332 17.196 -5.629 382 HB3 ASN 49 HB1 ASN 49 22.823 16.580 -6.292 383 HD21 ASN 49 HD21 ASN 49 25.793 18.264 -6.992 384 HD22 ASN 49 HD22 ASN 49 25.731 18.053 -8.714 385 H GLU 50 HN GLU 50 20.575 17.582 -6.294 386 HA GLU 50 HA GLU 50 19.961 18.455 -8.870 387 HB2 GLU 50 HB2 GLU 50 18.821 16.573 -7.880 388 HB3 GLU 50 HB1 GLU 50 18.154 17.588 -6.610 389 HG2 GLU 50 HG2 GLU 50 16.435 17.146 -8.190 390 HG3 GLU 50 HG1 GLU 50 16.901 18.839 -8.341 391 H LEU 51 HN LEU 51 18.769 19.712 -5.753 392 HA LEU 51 HA LEU 51 17.094 21.665 -6.905 393 HB2 LEU 51 HB2 LEU 51 17.327 20.628 -4.470 394 HB3 LEU 51 HB1 LEU 51 18.258 22.087 -4.194 395 HG LEU 51 HG LEU 51 15.938 22.348 -3.465 396 HD11 LEU 51 HD11 LEU 51 15.367 24.399 -4.674 397 HD12 LEU 51 HD12 LEU 51 16.580 24.008 -5.895 398 HD13 LEU 51 HD13 LEU 51 17.075 24.339 -4.234 399 HD21 LEU 51 HD21 LEU 51 14.105 22.371 -5.089 400 HD22 LEU 51 HD22 LEU 51 14.873 20.785 -4.981 401 HD23 LEU 51 HD23 LEU 51 15.225 21.842 -6.349 402 H MET 52 HN MET 52 20.458 21.759 -5.815 403 HA MET 52 HA MET 52 20.739 24.581 -6.201 404 HB2 MET 52 HB2 MET 52 22.715 22.358 -5.776 405 HB3 MET 52 HB1 MET 52 23.233 24.008 -6.098 406 HG2 MET 52 HG2 MET 52 21.932 24.754 -4.138 407 HG3 MET 52 HG1 MET 52 21.551 23.068 -3.786 408 HE1 MET 52 HE1 MET 52 22.890 25.167 -1.806 409 HE2 MET 52 HE2 MET 52 24.136 24.186 -1.035 410 HE3 MET 52 HE3 MET 52 22.532 23.510 -1.319 411 H ARG 53 HN ARG 53 21.333 21.739 -8.186 412 HA ARG 53 HA ARG 53 22.780 22.968 -10.254 413 HB2 ARG 53 HB2 ARG 53 22.589 20.541 -10.055 414 HB3 ARG 53 HB1 ARG 53 20.863 20.631 -10.375 415 HG2 ARG 53 HG2 ARG 53 21.327 21.475 -12.622 416 HG3 ARG 53 HG1 ARG 53 23.059 21.374 -12.298 417 HD2 ARG 53 HD2 ARG 53 22.300 19.446 -13.572 418 HD3 ARG 53 HD1 ARG 53 22.859 18.963 -11.972 419 HE ARG 53 HE ARG 53 20.275 19.150 -11.491 420 HH11 ARG 53 HH11 ARG 53 21.832 17.871 -14.363 421 HH12 ARG 53 HH12 ARG 53 20.605 16.665 -14.638 422 HH21 ARG 53 HH21 ARG 53 18.662 17.590 -11.847 423 HH22 ARG 53 HH22 ARG 53 18.816 16.484 -13.192 424 H LEU 54 HN LEU 54 19.345 22.756 -9.604 425 HA LEU 54 HA LEU 54 18.423 23.792 -12.068 426 HB2 LEU 54 HB2 LEU 54 17.143 22.577 -10.186 427 HB3 LEU 54 HB1 LEU 54 17.043 24.143 -9.413 428 HG LEU 54 HG LEU 54 16.024 23.780 -12.215 429 HD11 LEU 54 HD11 LEU 54 14.997 22.005 -10.898 430 HD12 LEU 54 HD12 LEU 54 13.821 23.258 -11.294 431 HD13 LEU 54 HD13 LEU 54 14.514 23.179 -9.673 432 HD21 LEU 54 HD21 LEU 54 16.207 26.054 -11.319 433 HD22 LEU 54 HD22 LEU 54 15.210 25.591 -9.940 434 HD23 LEU 54 HD23 LEU 54 14.523 25.592 -11.565 435 H GLY 55 HN GLY 55 19.867 25.231 -9.289 436 HA2 GLY 55 HA2 GLY 55 20.781 27.376 -9.180 437 HA3 GLY 55 HA1 GLY 55 19.858 27.819 -10.611 438 H ASP 56 HN ASP 56 18.030 26.245 -8.238 439 HA ASP 56 HA ASP 56 16.770 28.811 -7.555 440 HB2 ASP 56 HB2 ASP 56 15.510 26.841 -8.679 441 HB3 ASP 56 HB1 ASP 56 15.551 26.103 -7.081 442 H PHE 57 HN PHE 57 19.153 27.464 -6.390 443 HA PHE 57 HA PHE 57 18.378 27.602 -3.559 444 HB2 PHE 57 HB2 PHE 57 18.775 25.205 -4.617 445 HB3 PHE 57 HB1 PHE 57 20.467 25.657 -4.501 446 HD1 PHE 57 HD1 PHE 57 20.912 26.801 -1.954 447 HD2 PHE 57 HD2 PHE 57 18.117 23.771 -3.025 448 HE1 PHE 57 HE1 PHE 57 20.944 25.952 0.352 449 HE2 PHE 57 HE2 PHE 57 18.150 22.923 -0.725 450 HZ PHE 57 HZ PHE 57 19.561 24.013 0.972 451 H ASP 58 HN ASP 58 20.133 28.420 -2.233 452 HA ASP 58 HA ASP 58 21.930 30.213 -3.430 453 HB2 ASP 58 HB2 ASP 58 21.172 30.058 -0.957 454 HB3 ASP 58 HB1 ASP 58 22.457 28.867 -0.783 455 H GLN 59 HN GLN 59 23.695 29.763 -4.629 456 HA GLN 59 HA GLN 59 24.543 27.037 -4.868 457 HB2 GLN 59 HB2 GLN 59 25.677 29.520 -6.161 458 HB3 GLN 59 HB1 GLN 59 26.116 27.868 -6.575 459 HG2 GLN 59 HG2 GLN 59 23.662 27.504 -7.099 460 HG3 GLN 59 HG1 GLN 59 23.490 29.254 -6.998 461 HE21 GLN 59 HE21 GLN 59 22.954 29.510 -9.142 462 HE22 GLN 59 HE22 GLN 59 24.089 29.271 -10.428 463 H ILE 60 HN ILE 60 25.433 26.382 -3.030 464 HA ILE 60 HA ILE 60 28.062 27.505 -2.336 465 HB ILE 60 HB ILE 60 27.506 26.703 0.047 466 HG12 ILE 60 HG12 ILE 60 24.745 26.823 -1.178 467 HG13 ILE 60 HG11 ILE 60 25.513 25.439 -0.412 468 HG21 ILE 60 HG21 ILE 60 26.446 28.840 0.617 469 HG22 ILE 60 HG22 ILE 60 26.087 29.110 -1.088 470 HG23 ILE 60 HG23 ILE 60 27.762 29.047 -0.539 471 HD11 ILE 60 HD11 ILE 60 23.776 26.494 0.969 472 HD12 ILE 60 HD12 ILE 60 24.740 27.971 1.011 473 HD13 ILE 60 HD13 ILE 60 25.363 26.490 1.740 474 H ASP 61 HN ASP 61 29.184 25.732 -0.800 475 HA ASP 61 HA ASP 61 29.029 23.276 -2.376 476 HB2 ASP 61 HB2 ASP 61 31.163 24.451 -0.625 477 HB3 ASP 61 HB1 ASP 61 31.187 22.738 -1.037 478 H ILE 62 HN ILE 62 27.389 22.127 -1.597 479 HA ILE 62 HA ILE 62 27.065 21.649 1.232 480 HB ILE 62 HB ILE 62 25.574 20.874 -1.240 481 HG12 ILE 62 HG12 ILE 62 25.069 22.967 -0.054 482 HG13 ILE 62 HG11 ILE 62 23.699 21.863 -0.045 483 HG21 ILE 62 HG21 ILE 62 25.153 19.544 1.429 484 HG22 ILE 62 HG22 ILE 62 25.738 18.768 -0.042 485 HG23 ILE 62 HG23 ILE 62 24.093 19.401 0.026 486 HD11 ILE 62 HD11 ILE 62 24.248 21.217 2.248 487 HD12 ILE 62 HD12 ILE 62 23.954 22.950 2.102 488 HD13 ILE 62 HD13 ILE 62 25.605 22.343 2.233 489 H GLY 63 HN GLY 63 28.267 19.965 -1.600 490 HA2 GLY 63 HA2 GLY 63 28.440 17.369 -0.691 491 HA3 GLY 63 HA1 GLY 63 29.557 18.089 -1.837 492 H VAL 64 HN VAL 64 30.673 20.028 -0.026 493 HA VAL 64 HA VAL 64 32.651 18.357 1.155 494 HB VAL 64 HB VAL 64 33.226 20.550 0.215 495 HG11 VAL 64 HG11 VAL 64 32.730 22.610 1.454 496 HG12 VAL 64 HG12 VAL 64 31.705 21.688 2.555 497 HG13 VAL 64 HG13 VAL 64 31.269 21.826 0.852 498 HG21 VAL 64 HG21 VAL 64 33.820 20.287 3.158 499 HG22 VAL 64 HG22 VAL 64 34.705 21.307 2.024 500 HG23 VAL 64 HG23 VAL 64 34.725 19.554 1.832 501 H VAL 65 HN VAL 65 29.842 20.059 2.395 502 HA VAL 65 HA VAL 65 30.662 19.787 5.149 503 HB VAL 65 HB VAL 65 27.983 20.657 4.047 504 HG11 VAL 65 HG11 VAL 65 27.699 21.730 6.249 505 HG12 VAL 65 HG12 VAL 65 29.206 20.985 6.785 506 HG13 VAL 65 HG13 VAL 65 27.824 19.973 6.366 507 HG21 VAL 65 HG21 VAL 65 29.750 22.108 3.238 508 HG22 VAL 65 HG22 VAL 65 30.369 22.301 4.877 509 HG23 VAL 65 HG23 VAL 65 28.783 22.945 4.452 510 H ILE 66 HN ILE 66 28.434 18.153 2.950 511 HA ILE 66 HA ILE 66 27.044 16.714 4.973 512 HB ILE 66 HB ILE 66 26.169 15.315 3.148 513 HG12 ILE 66 HG12 ILE 66 27.946 16.974 1.350 514 HG13 ILE 66 HG11 ILE 66 28.271 15.304 1.802 515 HG21 ILE 66 HG21 ILE 66 25.013 17.095 1.933 516 HG22 ILE 66 HG22 ILE 66 26.177 18.267 2.552 517 HG23 ILE 66 HG23 ILE 66 25.094 17.428 3.663 518 HD11 ILE 66 HD11 ILE 66 26.206 14.610 0.713 519 HD12 ILE 66 HD12 ILE 66 27.289 15.443 -0.403 520 HD13 ILE 66 HD13 ILE 66 25.887 16.285 0.258 521 H THR 67 HN THR 67 30.017 16.124 3.279 522 HA THR 67 HA THR 67 30.098 13.434 4.459 523 HB THR 67 HB THR 67 31.880 12.950 2.779 524 HG1 THR 67 HG1 THR 67 32.705 14.817 2.074 525 HG21 THR 67 HG21 THR 67 29.258 13.914 1.593 526 HG22 THR 67 HG22 THR 67 29.529 12.340 2.341 527 HG23 THR 67 HG23 THR 67 30.374 12.763 0.854 528 H HIS 68 HN HIS 68 30.893 16.369 5.286 529 HA HIS 68 HA HIS 68 33.030 15.505 7.015 530 HB2 HIS 68 HB2 HIS 68 34.205 16.268 4.921 531 HB3 HIS 68 HB1 HIS 68 33.524 17.868 5.186 532 HD1 HIS 68 HD1 HIS 68 34.612 19.337 6.988 533 HD2 HIS 68 HD2 HIS 68 36.259 15.528 6.704 534 HE1 HIS 68 HE1 HIS 68 36.728 19.409 8.341 535 HE2 HIS 68 HE2 HIS 68 37.816 17.171 7.954 536 H PHE 69 HN PHE 69 31.276 15.891 8.475 537 HA PHE 69 HA PHE 69 30.011 18.443 8.669 538 HB2 PHE 69 HB2 PHE 69 29.993 15.981 10.392 539 HB3 PHE 69 HB1 PHE 69 29.190 17.458 10.904 540 HD1 PHE 69 HD2 PHE 69 27.215 18.257 9.766 541 HD2 PHE 69 HD1 PHE 69 29.132 14.649 8.582 542 HE1 PHE 69 HE2 PHE 69 25.213 17.619 8.490 543 HE2 PHE 69 HE1 PHE 69 27.133 14.004 7.305 544 HZ PHE 69 HZ PHE 69 25.170 15.487 7.259 545 H THR 70 HN THR 70 29.862 19.515 10.867 546 HA THR 70 HA THR 70 32.366 19.484 12.383 547 HB THR 70 HB THR 70 31.003 22.022 11.426 548 HG1 THR 70 HG1 THR 70 32.795 20.408 10.217 549 HG21 THR 70 HG21 THR 70 32.979 23.160 12.330 550 HG22 THR 70 HG22 THR 70 33.603 21.617 12.914 551 HG23 THR 70 HG23 THR 70 32.118 22.282 13.593 552 H ASP 71 HN ASP 71 32.044 20.276 14.606 553 HA ASP 71 HA ASP 71 29.358 19.597 15.494 554 HB2 ASP 71 HB2 ASP 71 31.931 20.053 17.006 555 HB3 ASP 71 HB1 ASP 71 30.393 19.719 17.795 556 H GLU 72 HN GLU 72 30.482 22.317 14.369 557 HA GLU 72 HA GLU 72 29.065 23.973 16.343 558 HB2 GLU 72 HB2 GLU 72 31.543 24.385 16.185 559 HB3 GLU 72 HB1 GLU 72 31.290 24.902 14.524 560 HG2 GLU 72 HG2 GLU 72 29.843 26.700 15.293 561 HG3 GLU 72 HG1 GLU 72 30.064 26.171 16.961 562 H LEU 73 HN LEU 73 29.729 23.327 12.962 563 HA LEU 73 HA LEU 73 27.219 24.690 12.269 564 HB2 LEU 73 HB2 LEU 73 29.818 24.631 10.747 565 HB3 LEU 73 HB1 LEU 73 28.294 24.932 9.941 566 HG LEU 73 HG LEU 73 28.002 26.880 11.589 567 HD11 LEU 73 HD11 LEU 73 30.965 26.431 11.900 568 HD12 LEU 73 HD12 LEU 73 29.748 26.246 13.163 569 HD13 LEU 73 HD13 LEU 73 30.064 27.837 12.469 570 HD21 LEU 73 HD21 LEU 73 28.474 27.158 9.214 571 HD22 LEU 73 HD22 LEU 73 30.201 26.985 9.531 572 HD23 LEU 73 HD23 LEU 73 29.318 28.368 10.179 573 HA PRO 74 HA PRO 74 25.542 24.583 10.970 574 HB2 PRO 74 HB2 PRO 74 23.194 23.309 11.269 575 HB3 PRO 74 HB1 PRO 74 24.025 23.364 9.705 576 HG2 PRO 74 HG2 PRO 74 24.020 21.173 11.755 577 HG3 PRO 74 HG1 PRO 74 23.763 21.061 10.003 578 HD2 PRO 74 HD2 PRO 74 26.153 20.524 11.143 579 HD3 PRO 74 HD1 PRO 74 26.015 21.254 9.530 580 H SER 75 HN SER 75 24.396 25.645 12.653 581 HA SER 75 HA SER 75 25.090 24.673 15.293 582 HB2 SER 75 HB2 SER 75 24.473 26.853 16.098 583 HB3 SER 75 HB1 SER 75 25.380 27.088 14.606 584 HG SER 75 HG SER 75 23.517 27.568 13.529 585 HA PRO 76 HA PRO 76 21.209 22.931 16.458 586 HB2 PRO 76 HB2 PRO 76 20.869 24.086 18.955 587 HB3 PRO 76 HB1 PRO 76 21.834 22.644 18.626 588 HG2 PRO 76 HG2 PRO 76 22.713 25.483 18.943 589 HG3 PRO 76 HG1 PRO 76 23.485 23.995 19.526 590 HD2 PRO 76 HD2 PRO 76 24.405 25.277 17.367 591 HD3 PRO 76 HD1 PRO 76 24.390 23.501 17.444 592 H GLU 77 HN GLU 77 21.636 26.412 16.731 593 HA GLU 77 HA GLU 77 18.841 26.955 17.018 594 HB2 GLU 77 HB2 GLU 77 21.088 28.824 16.261 595 HB3 GLU 77 HB1 GLU 77 19.458 29.307 16.716 596 HG2 GLU 77 HG2 GLU 77 20.016 27.911 18.876 597 HG3 GLU 77 HG1 GLU 77 21.674 28.274 18.398 598 H ASP 78 HN ASP 78 21.140 26.971 14.313 599 HA ASP 78 HA ASP 78 19.330 27.849 12.333 600 HB2 ASP 78 HB2 ASP 78 21.655 25.920 12.067 601 HB3 ASP 78 HB1 ASP 78 20.792 26.638 10.714 602 H VAL 79 HN VAL 79 20.216 24.650 13.503 603 HA VAL 79 HA VAL 79 18.499 23.081 11.983 604 HB VAL 79 HB VAL 79 19.485 22.676 14.814 605 HG11 VAL 79 HG11 VAL 79 18.951 20.311 14.528 606 HG12 VAL 79 HG12 VAL 79 18.230 20.657 12.956 607 HG13 VAL 79 HG13 VAL 79 17.500 21.307 14.424 608 HG21 VAL 79 HG21 VAL 79 21.263 22.840 13.174 609 HG22 VAL 79 HG22 VAL 79 20.473 21.630 12.162 610 HG23 VAL 79 HG23 VAL 79 21.114 21.176 13.742 611 H GLU 80 HN GLU 80 17.937 24.567 15.163 612 HA GLU 80 HA GLU 80 15.335 23.619 15.572 613 HB2 GLU 80 HB2 GLU 80 16.647 24.569 17.366 614 HB3 GLU 80 HB1 GLU 80 16.708 26.125 16.554 615 HG2 GLU 80 HG2 GLU 80 14.275 26.338 16.832 616 HG3 GLU 80 HG1 GLU 80 14.263 24.807 17.708 617 H ARG 81 HN ARG 81 16.479 26.618 14.070 618 HA ARG 81 HA ARG 81 13.973 27.823 13.710 619 HB2 ARG 81 HB2 ARG 81 16.083 29.046 13.535 620 HB3 ARG 81 HB1 ARG 81 16.502 28.139 12.089 621 HG2 ARG 81 HG2 ARG 81 14.619 29.134 10.904 622 HG3 ARG 81 HG1 ARG 81 14.169 30.026 12.360 623 HD2 ARG 81 HD2 ARG 81 15.429 31.429 10.803 624 HD3 ARG 81 HD1 ARG 81 16.300 31.201 12.319 625 HE ARG 81 HE ARG 81 16.939 29.851 9.767 626 HH11 ARG 81 HH11 ARG 81 17.868 30.966 12.961 627 HH12 ARG 81 HH12 ARG 81 19.549 30.613 12.734 628 HH21 ARG 81 HH21 ARG 81 19.144 29.417 9.460 629 HH22 ARG 81 HH22 ARG 81 20.281 29.694 10.759 630 H VAL 82 HN VAL 82 15.939 25.915 11.407 631 HA VAL 82 HA VAL 82 13.977 25.999 9.358 632 HB VAL 82 HB VAL 82 16.510 25.404 9.195 633 HG11 VAL 82 HG11 VAL 82 16.455 23.461 10.683 634 HG12 VAL 82 HG12 VAL 82 17.012 23.033 9.065 635 HG13 VAL 82 HG13 VAL 82 15.367 22.635 9.564 636 HG21 VAL 82 HG21 VAL 82 14.429 23.962 7.566 637 HG22 VAL 82 HG22 VAL 82 16.109 24.215 7.092 638 HG23 VAL 82 HG23 VAL 82 15.032 25.597 7.293 639 H ARG 83 HN ARG 83 14.575 23.881 12.052 640 HA ARG 83 HA ARG 83 12.960 21.697 11.423 641 HB2 ARG 83 HB2 ARG 83 14.511 21.790 13.326 642 HB3 ARG 83 HB1 ARG 83 13.512 23.006 14.098 643 HG2 ARG 83 HG2 ARG 83 11.686 21.298 14.225 644 HG3 ARG 83 HG1 ARG 83 12.862 20.102 13.660 645 HD2 ARG 83 HD2 ARG 83 14.341 20.752 15.548 646 HD3 ARG 83 HD1 ARG 83 13.066 21.808 16.139 647 HE ARG 83 HE ARG 83 12.632 18.909 15.876 648 HH11 ARG 83 HH11 ARG 83 12.577 21.863 17.754 649 HH12 ARG 83 HH12 ARG 83 12.049 21.077 19.217 650 HH21 ARG 83 HH21 ARG 83 11.932 17.870 17.796 651 HH22 ARG 83 HH22 ARG 83 11.664 18.813 19.232 652 H ALA 84 HN ALA 84 12.158 24.669 13.217 653 HA ALA 84 HA ALA 84 9.395 24.043 13.487 654 HB1 ALA 84 HB1 ALA 84 9.140 26.339 14.244 655 HB2 ALA 84 HB2 ALA 84 10.750 26.734 13.639 656 HB3 ALA 84 HB3 ALA 84 10.564 25.600 14.978 657 H ARG 85 HN ARG 85 11.192 26.086 11.213 658 HA ARG 85 HA ARG 85 8.963 27.219 9.932 659 HB2 ARG 85 HB2 ARG 85 11.240 28.133 9.807 660 HB3 ARG 85 HB1 ARG 85 11.748 26.749 8.857 661 HG2 ARG 85 HG2 ARG 85 11.355 28.790 7.522 662 HG3 ARG 85 HG1 ARG 85 10.367 27.417 7.021 663 HD2 ARG 85 HD2 ARG 85 9.191 29.647 7.134 664 HD3 ARG 85 HD1 ARG 85 8.427 28.326 8.014 665 HE ARG 85 HE ARG 85 9.776 29.398 9.989 666 HH11 ARG 85 HH11 ARG 85 8.156 31.110 7.398 667 HH12 ARG 85 HH12 ARG 85 7.694 32.455 8.398 668 HH21 ARG 85 HH21 ARG 85 9.183 31.137 11.302 669 HH22 ARG 85 HH22 ARG 85 8.284 32.468 10.637 670 H LEU 86 HN LEU 86 10.777 24.271 9.251 671 HA LEU 86 HA LEU 86 9.364 23.780 6.788 672 HB2 LEU 86 HB2 LEU 86 11.479 22.385 8.356 673 HB3 LEU 86 HB1 LEU 86 10.568 21.457 7.182 674 HG LEU 86 HG LEU 86 12.799 22.448 6.426 675 HD11 LEU 86 HD11 LEU 86 10.312 23.076 4.838 676 HD12 LEU 86 HD12 LEU 86 11.151 21.527 4.880 677 HD13 LEU 86 HD13 LEU 86 11.946 22.941 4.189 678 HD21 LEU 86 HD21 LEU 86 12.744 24.752 5.629 679 HD22 LEU 86 HD22 LEU 86 12.521 24.676 7.376 680 HD23 LEU 86 HD23 LEU 86 11.136 24.960 6.323 681 H ALA 87 HN ALA 87 9.019 22.875 10.126 682 HA ALA 87 HA ALA 87 7.329 20.621 9.708 683 HB1 ALA 87 HB1 ALA 87 6.855 20.768 12.089 684 HB2 ALA 87 HB2 ALA 87 7.595 22.367 12.152 685 HB3 ALA 87 HB3 ALA 87 8.583 20.952 11.787 686 H ALA 88 HN ALA 88 6.829 24.026 9.734 687 HA ALA 88 HA ALA 88 4.145 24.201 10.483 688 HB1 ALA 88 HB1 ALA 88 4.137 26.360 9.369 689 HB2 ALA 88 HB2 ALA 88 5.626 25.944 8.521 690 HB3 ALA 88 HB3 ALA 88 5.634 26.136 10.274 691 H GLN 89 HN GLN 89 5.600 23.435 7.367 692 HA GLN 89 HA GLN 89 3.010 23.437 6.040 693 HB2 GLN 89 HB2 GLN 89 5.840 23.084 5.107 694 HB3 GLN 89 HB1 GLN 89 4.509 22.578 4.080 695 HG2 GLN 89 HG2 GLN 89 5.228 24.781 3.453 696 HG3 GLN 89 HG1 GLN 89 3.611 24.863 4.145 697 HE21 GLN 89 HE21 GLN 89 6.967 25.619 4.605 698 HE22 GLN 89 HE22 GLN 89 6.751 26.724 5.914 699 H GLY 90 HN GLY 90 4.323 21.393 8.093 700 HA2 GLY 90 HA2 GLY 90 3.282 19.244 8.444 701 HA3 GLY 90 HA1 GLY 90 3.238 19.037 6.697 702 H TRP 91 HN TRP 91 4.482 17.479 8.997 703 HA TRP 91 HA TRP 91 7.264 17.497 8.051 704 HB2 TRP 91 HB2 TRP 91 6.664 17.740 10.550 705 HB3 TRP 91 HB1 TRP 91 6.257 16.029 10.482 706 HD1 TRP 91 HD1 TRP 91 8.227 14.329 10.637 707 HE1 TRP 91 HE1 TRP 91 10.784 14.556 10.886 708 HE3 TRP 91 HE3 TRP 91 8.668 19.345 9.778 709 HZ2 TRP 91 HZ2 TRP 91 12.724 16.608 10.727 710 HZ3 TRP 91 HZ3 TRP 91 10.906 20.364 9.841 711 HH2 TRP 91 HH2 TRP 91 12.891 19.022 10.306 712 HA PRO 92 HA PRO 92 5.653 13.735 6.099 713 HB2 PRO 92 HB2 PRO 92 6.922 13.972 3.777 714 HB3 PRO 92 HB1 PRO 92 5.585 15.054 4.186 715 HG2 PRO 92 HG2 PRO 92 8.529 15.564 4.261 716 HG3 PRO 92 HG1 PRO 92 7.216 16.642 3.755 717 HD2 PRO 92 HD2 PRO 92 8.463 16.644 6.254 718 HD3 PRO 92 HD1 PRO 92 6.906 17.403 5.873 719 H LEU 93 HN LEU 93 8.526 14.342 7.522 720 HA LEU 93 HA LEU 93 10.140 12.336 6.245 721 HB2 LEU 93 HB2 LEU 93 10.558 13.921 8.774 722 HB3 LEU 93 HB1 LEU 93 11.712 12.758 8.153 723 HG LEU 93 HG LEU 93 10.867 15.344 6.854 724 HD11 LEU 93 HD11 LEU 93 13.221 15.926 7.137 725 HD12 LEU 93 HD12 LEU 93 13.516 14.374 7.920 726 HD13 LEU 93 HD13 LEU 93 12.464 15.563 8.688 727 HD21 LEU 93 HD21 LEU 93 11.146 13.558 5.179 728 HD22 LEU 93 HD22 LEU 93 12.765 13.248 5.805 729 HD23 LEU 93 HD23 LEU 93 12.393 14.799 5.055 730 H ASP 94 HN ASP 94 8.107 12.493 9.123 731 HA ASP 94 HA ASP 94 8.827 9.704 9.640 732 HB2 ASP 94 HB2 ASP 94 9.906 11.401 11.226 733 HB3 ASP 94 HB1 ASP 94 8.283 11.671 11.855 734 H ASP 95 HN ASP 95 7.232 8.386 10.209 735 HA ASP 95 HA ASP 95 4.504 9.462 10.056 736 HB2 ASP 95 HB2 ASP 95 4.882 7.923 8.293 737 HB3 ASP 95 HB1 ASP 95 5.663 6.771 9.361 738 H VAL 96 HN VAL 96 2.915 8.655 11.442 739 HA VAL 96 HA VAL 96 3.982 7.658 14.009 740 HB VAL 96 HB VAL 96 1.583 9.464 13.628 741 HG11 VAL 96 HG11 VAL 96 1.654 9.685 16.067 742 HG12 VAL 96 HG12 VAL 96 2.984 8.529 16.130 743 HG13 VAL 96 HG13 VAL 96 1.393 8.013 15.571 744 HG21 VAL 96 HG21 VAL 96 2.964 11.215 14.660 745 HG22 VAL 96 HG22 VAL 96 3.631 10.670 13.121 746 HG23 VAL 96 HG23 VAL 96 4.350 10.125 14.637 747 H ARG 97 HN ARG 97 3.106 5.807 14.768 748 HA ARG 97 HA ARG 97 0.788 4.776 13.282 749 HB2 ARG 97 HB2 ARG 97 3.240 3.287 14.216 750 HB3 ARG 97 HB1 ARG 97 1.816 2.521 13.521 751 HG2 ARG 97 HG2 ARG 97 2.147 3.689 11.440 752 HG3 ARG 97 HG1 ARG 97 3.499 4.589 12.126 753 HD2 ARG 97 HD2 ARG 97 4.793 2.570 12.343 754 HD3 ARG 97 HD1 ARG 97 3.420 1.591 11.822 755 HE ARG 97 HE ARG 97 4.086 3.559 9.879 756 HH11 ARG 97 HH11 ARG 97 5.231 0.518 11.181 757 HH12 ARG 97 HH12 ARG 97 5.858 -0.054 9.661 758 HH21 ARG 97 HH21 ARG 97 4.920 2.834 7.883 759 HH22 ARG 97 HH22 ARG 97 5.669 1.270 7.771 760 H ASP 98 HN ASP 98 -0.749 5.284 14.802 761 HA ASP 98 HA ASP 98 -0.674 3.566 17.197 762 HB2 ASP 98 HB2 ASP 98 -1.972 6.196 16.652 763 HB3 ASP 98 HB1 ASP 98 -2.852 5.059 17.667 764 H ARG 99 HN ARG 99 -1.974 1.793 17.168 765 HA ARG 99 HA ARG 99 -4.082 1.706 15.151 766 HB2 ARG 99 HB2 ARG 99 -3.210 -0.640 14.532 767 HB3 ARG 99 HB1 ARG 99 -2.412 0.763 13.844 768 HG2 ARG 99 HG2 ARG 99 -0.745 -0.817 14.477 769 HG3 ARG 99 HG1 ARG 99 -0.649 0.550 15.582 770 HD2 ARG 99 HD2 ARG 99 -0.404 -1.606 16.733 771 HD3 ARG 99 HD1 ARG 99 -1.814 -0.710 17.292 772 HE ARG 99 HE ARG 99 -2.394 -2.608 15.200 773 HH11 ARG 99 HH11 ARG 99 -1.915 -2.234 18.655 774 HH12 ARG 99 HH12 ARG 99 -3.004 -3.528 19.080 775 HH21 ARG 99 HH21 ARG 99 -3.819 -4.324 15.752 776 HH22 ARG 99 HH22 ARG 99 -4.102 -4.699 17.430 777 H GLU 100 HN GLU 100 -3.304 1.292 18.273 778 HA GLU 100 HA GLU 100 -4.697 -1.203 18.625 779 HB2 GLU 100 HB2 GLU 100 -4.109 -1.128 20.934 780 HB3 GLU 100 HB1 GLU 100 -2.688 -0.677 20.007 781 HG2 GLU 100 HG2 GLU 100 -3.057 1.657 20.531 782 HG3 GLU 100 HG1 GLU 100 -4.534 1.244 21.403 783 H GLU 101 HN GLU 101 -6.697 -1.436 19.521 784 HA GLU 101 HA GLU 101 -8.203 0.874 20.357 785 HB2 GLU 101 HB2 GLU 101 -9.974 0.320 18.548 786 HB3 GLU 101 HB1 GLU 101 -8.572 1.281 18.094 787 HG2 GLU 101 HG2 GLU 101 -7.522 -0.575 17.056 788 HG3 GLU 101 HG1 GLU 101 -8.722 -1.695 17.709 789 H HIS 102 HN HIS 102 -9.412 0.232 21.972 790 HA HIS 102 HA HIS 102 -10.663 -2.423 21.785 791 HB2 HIS 102 HB2 HIS 102 -10.738 -2.407 24.317 792 HB3 HIS 102 HB1 HIS 102 -9.148 -2.617 23.602 793 HD1 HIS 102 HD1 HIS 102 -7.365 -0.913 24.191 794 HD2 HIS 102 HD2 HIS 102 -11.146 0.132 25.581 795 HE1 HIS 102 HE1 HIS 102 -7.009 1.039 25.738 796 HE2 HIS 102 HE2 HIS 102 -9.292 1.563 26.677 797 H ALA 103 HN ALA 103 -12.215 -1.156 20.552 798 HA ALA 103 HA ALA 103 -13.991 0.478 22.218 799 HB1 ALA 103 HB1 ALA 103 -13.872 0.236 19.212 800 HB2 ALA 103 HB2 ALA 103 -13.164 1.539 20.168 801 HB3 ALA 103 HB3 ALA 103 -14.914 1.325 20.128 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 1.779 5.611 1.809 2 H2 GLY 1 HT2 GLY 1 3.026 6.439 2.608 3 H3 GLY 1 HT3 GLY 1 3.353 4.981 1.811 4 HA2 GLY 1 HA1 GLY 1 2.565 7.540 0.544 5 HA3 GLY 1 HA2 GLY 1 4.157 6.794 0.487 6 H SER 2 HN SER 2 4.011 6.805 -1.833 7 HA SER 2 HA SER 2 2.357 4.597 -2.834 8 HB2 SER 2 HB2 SER 2 1.152 6.682 -3.324 9 HB3 SER 2 HB1 SER 2 2.575 7.311 -4.154 10 HG SER 2 HG SER 2 1.333 4.879 -4.913 11 H HIS 3 HN HIS 3 4.507 6.979 -4.387 12 HA HIS 3 HA HIS 3 5.947 4.715 -5.582 13 HB2 HIS 3 HB2 HIS 3 5.679 7.595 -6.462 14 HB3 HIS 3 HB1 HIS 3 6.784 6.452 -7.216 15 HD1 HIS 3 HD1 HIS 3 5.846 4.993 -9.024 16 HD2 HIS 3 HD2 HIS 3 2.883 6.874 -6.793 17 HE1 HIS 3 HE1 HIS 3 3.681 4.490 -10.206 18 HE2 HIS 3 HE2 HIS 3 1.888 5.498 -8.740 19 H MET 4 HN MET 4 8.176 4.595 -5.538 20 HA MET 4 HA MET 4 9.419 5.564 -3.192 21 HB2 MET 4 HB2 MET 4 10.639 4.349 -5.669 22 HB3 MET 4 HB1 MET 4 11.505 4.638 -4.167 23 HG2 MET 4 HG2 MET 4 10.035 3.096 -3.000 24 HG3 MET 4 HG1 MET 4 9.123 2.826 -4.486 25 HE1 MET 4 HE1 MET 4 11.582 2.979 -6.541 26 HE2 MET 4 HE2 MET 4 10.297 1.784 -6.723 27 HE3 MET 4 HE3 MET 4 11.986 1.273 -6.752 28 H ASN 5 HN ASN 5 9.694 6.516 -6.586 29 HA ASN 5 HA ASN 5 11.745 8.415 -6.208 30 HB2 ASN 5 HB2 ASN 5 9.641 8.346 -8.383 31 HB3 ASN 5 HB1 ASN 5 11.165 9.227 -8.439 32 HD21 ASN 5 HD21 ASN 5 13.095 8.088 -8.710 33 HD22 ASN 5 HD22 ASN 5 13.104 6.458 -9.295 34 H ARG 6 HN ARG 6 8.219 8.684 -6.260 35 HA ARG 6 HA ARG 6 8.043 11.467 -6.144 36 HB2 ARG 6 HB2 ARG 6 6.113 9.992 -6.625 37 HB3 ARG 6 HB1 ARG 6 6.104 9.479 -4.942 38 HG2 ARG 6 HG2 ARG 6 5.709 11.817 -4.262 39 HG3 ARG 6 HG1 ARG 6 5.628 12.272 -5.962 40 HD2 ARG 6 HD2 ARG 6 3.686 10.862 -6.279 41 HD3 ARG 6 HD1 ARG 6 3.799 10.293 -4.612 42 HE ARG 6 HE ARG 6 3.576 13.161 -4.884 43 HH11 ARG 6 HH11 ARG 6 1.750 10.166 -4.671 44 HH12 ARG 6 HH12 ARG 6 0.363 10.920 -3.936 45 HH21 ARG 6 HH21 ARG 6 1.743 14.146 -3.944 46 HH22 ARG 6 HH22 ARG 6 0.358 13.180 -3.543 47 H PHE 7 HN PHE 7 8.743 9.137 -3.639 48 HA PHE 7 HA PHE 7 8.192 10.676 -1.371 49 HB2 PHE 7 HB2 PHE 7 8.784 8.324 -1.191 50 HB3 PHE 7 HB1 PHE 7 10.391 8.647 -1.831 51 HD1 PHE 7 HD2 PHE 7 8.151 9.385 1.035 52 HD2 PHE 7 HD1 PHE 7 12.151 9.191 -0.405 53 HE1 PHE 7 HE2 PHE 7 8.989 9.738 3.322 54 HE2 PHE 7 HE1 PHE 7 12.996 9.544 1.878 55 HZ PHE 7 HZ PHE 7 11.414 9.818 3.745 56 H LEU 8 HN LEU 8 11.262 10.371 -3.162 57 HA LEU 8 HA LEU 8 12.602 12.388 -1.710 58 HB2 LEU 8 HB2 LEU 8 13.111 11.256 -4.458 59 HB3 LEU 8 HB1 LEU 8 14.151 12.451 -3.708 60 HG LEU 8 HG LEU 8 14.400 10.754 -1.789 61 HD11 LEU 8 HD11 LEU 8 14.120 8.419 -2.410 62 HD12 LEU 8 HD12 LEU 8 13.410 8.904 -3.950 63 HD13 LEU 8 HD13 LEU 8 12.577 9.271 -2.440 64 HD21 LEU 8 HD21 LEU 8 16.210 9.608 -2.958 65 HD22 LEU 8 HD22 LEU 8 16.185 11.330 -3.336 66 HD23 LEU 8 HD23 LEU 8 15.564 10.163 -4.503 67 H THR 9 HN THR 9 10.741 12.420 -4.709 68 HA THR 9 HA THR 9 11.147 15.080 -5.446 69 HB THR 9 HB THR 9 8.615 13.461 -5.798 70 HG1 THR 9 HG1 THR 9 10.498 13.685 -7.855 71 HG21 THR 9 HG21 THR 9 8.326 15.837 -6.312 72 HG22 THR 9 HG22 THR 9 8.270 14.864 -7.781 73 HG23 THR 9 HG23 THR 9 9.724 15.782 -7.386 74 H SER 10 HN SER 10 8.812 13.653 -3.199 75 HA SER 10 HA SER 10 7.427 16.065 -2.640 76 HB2 SER 10 HB2 SER 10 7.682 13.558 -0.957 77 HB3 SER 10 HB1 SER 10 6.500 14.845 -0.710 78 HG SER 10 HG SER 10 6.736 13.121 -2.956 79 H ILE 11 HN ILE 11 10.195 14.431 -1.144 80 HA ILE 11 HA ILE 11 10.572 16.210 0.998 81 HB ILE 11 HB ILE 11 12.659 14.687 -0.578 82 HG12 ILE 11 HG12 ILE 11 10.988 13.229 0.449 83 HG13 ILE 11 HG11 ILE 11 12.534 13.068 1.275 84 HG21 ILE 11 HG21 ILE 11 12.867 16.028 2.114 85 HG22 ILE 11 HG22 ILE 11 13.700 16.504 0.633 86 HG23 ILE 11 HG23 ILE 11 14.086 14.966 1.408 87 HD11 ILE 11 HD11 ILE 11 11.716 14.521 3.067 88 HD12 ILE 11 HD12 ILE 11 10.703 13.092 2.857 89 HD13 ILE 11 HD13 ILE 11 10.164 14.653 2.240 90 H VAL 12 HN VAL 12 11.926 16.261 -2.293 91 HA VAL 12 HA VAL 12 13.337 18.664 -2.114 92 HB VAL 12 HB VAL 12 11.955 17.479 -4.535 93 HG11 VAL 12 HG11 VAL 12 12.459 19.837 -4.884 94 HG12 VAL 12 HG12 VAL 12 13.518 18.821 -5.861 95 HG13 VAL 12 HG13 VAL 12 14.130 19.567 -4.385 96 HG21 VAL 12 HG21 VAL 12 14.798 17.225 -3.555 97 HG22 VAL 12 HG22 VAL 12 14.181 16.589 -5.077 98 HG23 VAL 12 HG23 VAL 12 13.574 15.958 -3.547 99 H ALA 13 HN ALA 13 9.971 18.066 -3.088 100 HA ALA 13 HA ALA 13 9.275 20.735 -3.632 101 HB1 ALA 13 HB1 ALA 13 7.493 18.516 -2.626 102 HB2 ALA 13 HB2 ALA 13 7.896 18.825 -4.315 103 HB3 ALA 13 HB3 ALA 13 6.961 20.007 -3.401 104 H TRP 14 HN TRP 14 9.050 18.816 -0.678 105 HA TRP 14 HA TRP 14 7.912 20.696 1.031 106 HB2 TRP 14 HB2 TRP 14 8.094 18.426 1.717 107 HB3 TRP 14 HB1 TRP 14 9.829 18.407 1.456 108 HD1 TRP 14 HD1 TRP 14 7.644 20.725 3.718 109 HE1 TRP 14 HE1 TRP 14 8.639 20.625 6.092 110 HE3 TRP 14 HE3 TRP 14 11.408 17.373 2.872 111 HZ2 TRP 14 HZ2 TRP 14 10.757 19.292 7.426 112 HZ3 TRP 14 HZ3 TRP 14 12.870 16.731 4.741 113 HH2 TRP 14 HH2 TRP 14 12.550 17.667 6.973 114 H LEU 15 HN LEU 15 11.342 20.058 0.355 115 HA LEU 15 HA LEU 15 12.416 21.990 2.073 116 HB2 LEU 15 HB2 LEU 15 13.557 20.947 -0.519 117 HB3 LEU 15 HB1 LEU 15 14.457 21.807 0.716 118 HG LEU 15 HG LEU 15 13.223 19.063 0.953 119 HD11 LEU 15 HD11 LEU 15 15.545 18.355 1.276 120 HD12 LEU 15 HD12 LEU 15 16.083 20.014 1.012 121 HD13 LEU 15 HD13 LEU 15 15.304 19.121 -0.294 122 HD21 LEU 15 HD21 LEU 15 14.174 19.012 3.212 123 HD22 LEU 15 HD22 LEU 15 12.943 20.267 3.054 124 HD23 LEU 15 HD23 LEU 15 14.655 20.700 3.047 125 H ARG 16 HN ARG 16 11.613 22.210 -1.394 126 HA ARG 16 HA ARG 16 12.495 24.910 -1.602 127 HB2 ARG 16 HB2 ARG 16 11.565 24.908 -3.816 128 HB3 ARG 16 HB1 ARG 16 12.357 23.364 -3.543 129 HG2 ARG 16 HG2 ARG 16 10.141 22.363 -3.074 130 HG3 ARG 16 HG1 ARG 16 9.398 23.910 -3.484 131 HD2 ARG 16 HD2 ARG 16 11.094 22.218 -5.315 132 HD3 ARG 16 HD1 ARG 16 9.337 22.360 -5.370 133 HE ARG 16 HE ARG 16 10.817 24.849 -5.641 134 HH11 ARG 16 HH11 ARG 16 9.242 22.162 -7.251 135 HH12 ARG 16 HH12 ARG 16 9.021 23.020 -8.752 136 HH21 ARG 16 HH21 ARG 16 10.551 25.973 -7.611 137 HH22 ARG 16 HH22 ARG 16 9.798 25.185 -8.962 138 H ALA 17 HN ALA 17 9.417 23.399 -0.829 139 HA ALA 17 HA ALA 17 7.799 25.703 -1.026 140 HB1 ALA 17 HB1 ALA 17 7.485 23.336 0.824 141 HB2 ALA 17 HB2 ALA 17 6.855 23.456 -0.821 142 HB3 ALA 17 HB3 ALA 17 6.237 24.524 0.440 143 H GLY 18 HN GLY 18 9.769 24.360 1.577 144 HA2 GLY 18 HA2 GLY 18 9.098 26.409 3.464 145 HA3 GLY 18 HA1 GLY 18 10.424 25.265 3.593 146 H TYR 19 HN TYR 19 11.129 26.399 0.720 147 HA TYR 19 HA TYR 19 12.294 28.941 1.558 148 HB2 TYR 19 HB2 TYR 19 13.906 26.514 0.809 149 HB3 TYR 19 HB1 TYR 19 14.541 28.140 0.592 150 HD1 TYR 19 HD2 TYR 19 14.545 29.658 2.683 151 HD2 TYR 19 HD1 TYR 19 14.187 25.421 2.856 152 HE1 TYR 19 HE2 TYR 19 15.317 29.691 5.013 153 HE2 TYR 19 HE1 TYR 19 14.963 25.447 5.185 154 HH TYR 19 HH TYR 19 16.533 27.204 6.551 155 HA PRO 20 HA PRO 20 10.855 28.949 -2.842 156 HB2 PRO 20 HB2 PRO 20 9.742 31.432 -2.719 157 HB3 PRO 20 HB1 PRO 20 8.873 29.957 -2.283 158 HG2 PRO 20 HG2 PRO 20 10.208 31.966 -0.512 159 HG3 PRO 20 HG1 PRO 20 8.654 31.137 -0.297 160 HD2 PRO 20 HD2 PRO 20 10.910 30.373 0.999 161 HD3 PRO 20 HD1 PRO 20 9.643 29.225 0.522 162 H GLU 21 HN GLU 21 12.760 31.067 -0.879 163 HA GLU 21 HA GLU 21 13.890 32.432 -3.211 164 HB2 GLU 21 HB2 GLU 21 14.408 32.844 -0.261 165 HB3 GLU 21 HB1 GLU 21 15.055 33.834 -1.559 166 HG2 GLU 21 HG2 GLU 21 12.855 34.609 -2.135 167 HG3 GLU 21 HG1 GLU 21 12.126 33.509 -0.963 168 H GLY 22 HN GLY 22 14.353 29.607 -1.658 169 HA2 GLY 22 HA2 GLY 22 16.149 28.126 -2.085 170 HA3 GLY 22 HA1 GLY 22 17.187 29.514 -2.388 171 H ILE 23 HN ILE 23 17.951 27.398 -0.743 172 HA ILE 23 HA ILE 23 17.523 28.218 2.008 173 HB ILE 23 HB ILE 23 19.206 25.963 0.890 174 HG12 ILE 23 HG12 ILE 23 17.355 24.576 2.042 175 HG13 ILE 23 HG11 ILE 23 16.411 26.060 2.009 176 HG21 ILE 23 HG21 ILE 23 20.081 26.693 3.021 177 HG22 ILE 23 HG22 ILE 23 19.278 25.134 3.209 178 HG23 ILE 23 HG23 ILE 23 18.476 26.610 3.751 179 HD11 ILE 23 HD11 ILE 23 16.534 26.116 -0.405 180 HD12 ILE 23 HD12 ILE 23 15.890 24.568 0.142 181 HD13 ILE 23 HD13 ILE 23 17.564 24.684 -0.406 182 HA PRO 24 HA PRO 24 21.135 30.886 2.000 183 HB2 PRO 24 HB2 PRO 24 20.957 30.686 4.899 184 HB3 PRO 24 HB1 PRO 24 20.759 32.098 3.865 185 HG2 PRO 24 HG2 PRO 24 18.733 30.737 5.220 186 HG3 PRO 24 HG1 PRO 24 18.512 31.923 3.921 187 HD2 PRO 24 HD2 PRO 24 18.124 29.042 3.883 188 HD3 PRO 24 HD1 PRO 24 17.650 30.251 2.679 189 HA PRO 25 HA PRO 25 24.400 28.082 2.841 190 HB2 PRO 25 HB2 PRO 25 26.477 29.704 3.322 191 HB3 PRO 25 HB1 PRO 25 25.672 29.669 1.748 192 HG2 PRO 25 HG2 PRO 25 25.382 31.635 3.983 193 HG3 PRO 25 HG1 PRO 25 25.471 31.929 2.238 194 HD2 PRO 25 HD2 PRO 25 23.132 31.867 3.690 195 HD3 PRO 25 HD1 PRO 25 23.238 31.556 1.947 196 H THR 26 HN THR 26 22.874 29.233 5.374 197 HA THR 26 HA THR 26 24.937 28.411 7.318 198 HB THR 26 HB THR 26 22.466 30.040 7.926 199 HG1 THR 26 HG1 THR 26 23.840 31.850 7.863 200 HG21 THR 26 HG21 THR 26 23.690 30.619 9.975 201 HG22 THR 26 HG22 THR 26 25.020 29.577 9.470 202 HG23 THR 26 HG23 THR 26 23.444 28.877 9.841 203 H ASP 27 HN ASP 27 21.463 28.333 6.647 204 HA ASP 27 HA ASP 27 20.977 26.300 8.639 205 HB2 ASP 27 HB2 ASP 27 18.618 26.490 7.786 206 HB3 ASP 27 HB1 ASP 27 19.308 27.996 8.360 207 H SER 28 HN SER 28 22.018 26.288 5.460 208 HA SER 28 HA SER 28 20.793 23.985 4.439 209 HB2 SER 28 HB2 SER 28 23.174 23.832 3.254 210 HB3 SER 28 HB1 SER 28 22.005 25.080 2.819 211 HG SER 28 HG SER 28 23.248 26.554 3.665 212 H PHE 29 HN PHE 29 23.529 24.435 6.601 213 HA PHE 29 HA PHE 29 24.278 21.722 6.853 214 HB2 PHE 29 HB2 PHE 29 24.514 24.032 8.795 215 HB3 PHE 29 HB1 PHE 29 25.244 22.454 9.057 216 HD1 PHE 29 HD1 PHE 29 25.278 25.420 6.837 217 HD2 PHE 29 HD2 PHE 29 27.306 21.896 8.096 218 HE1 PHE 29 HE1 PHE 29 27.293 26.153 5.630 219 HE2 PHE 29 HE2 PHE 29 29.323 22.621 6.887 220 HZ PHE 29 HZ PHE 29 29.318 24.753 5.655 221 H ALA 30 HN ALA 30 21.840 23.705 8.396 222 HA ALA 30 HA ALA 30 21.117 21.856 10.429 223 HB1 ALA 30 HB1 ALA 30 20.600 24.195 10.684 224 HB2 ALA 30 HB2 ALA 30 19.096 23.276 10.648 225 HB3 ALA 30 HB3 ALA 30 19.612 24.173 9.224 226 H VAL 31 HN VAL 31 19.763 22.646 7.236 227 HA VAL 31 HA VAL 31 17.715 20.763 7.145 228 HB VAL 31 HB VAL 31 19.511 21.634 4.863 229 HG11 VAL 31 HG11 VAL 31 18.270 19.601 4.325 230 HG12 VAL 31 HG12 VAL 31 17.673 20.978 3.397 231 HG13 VAL 31 HG13 VAL 31 16.764 20.392 4.791 232 HG21 VAL 31 HG21 VAL 31 18.441 23.530 5.937 233 HG22 VAL 31 HG22 VAL 31 16.870 22.737 5.815 234 HG23 VAL 31 HG23 VAL 31 17.721 23.238 4.354 235 H LEU 32 HN LEU 32 21.128 20.476 6.306 236 HA LEU 32 HA LEU 32 21.284 17.826 5.538 237 HB2 LEU 32 HB2 LEU 32 23.205 19.104 5.265 238 HB3 LEU 32 HB1 LEU 32 23.142 19.731 6.900 239 HG LEU 32 HG LEU 32 23.763 17.412 7.692 240 HD11 LEU 32 HD11 LEU 32 24.413 17.039 4.773 241 HD12 LEU 32 HD12 LEU 32 23.154 16.191 5.671 242 HD13 LEU 32 HD13 LEU 32 24.850 15.944 6.084 243 HD21 LEU 32 HD21 LEU 32 25.717 18.891 5.941 244 HD22 LEU 32 HD22 LEU 32 26.128 17.746 7.218 245 HD23 LEU 32 HD23 LEU 32 25.336 19.270 7.621 246 H ALA 33 HN ALA 33 21.543 19.175 8.826 247 HA ALA 33 HA ALA 33 21.988 16.723 10.135 248 HB1 ALA 33 HB1 ALA 33 21.425 17.911 12.186 249 HB2 ALA 33 HB2 ALA 33 20.755 19.241 11.241 250 HB3 ALA 33 HB3 ALA 33 22.478 18.883 11.160 251 H LEU 34 HN LEU 34 19.037 18.421 9.265 252 HA LEU 34 HA LEU 34 17.291 16.717 10.737 253 HB2 LEU 34 HB2 LEU 34 16.883 19.090 9.753 254 HB3 LEU 34 HB1 LEU 34 16.477 18.236 8.278 255 HG LEU 34 HG LEU 34 14.516 18.892 9.689 256 HD11 LEU 34 HD11 LEU 34 14.308 17.111 8.050 257 HD12 LEU 34 HD12 LEU 34 13.345 16.755 9.485 258 HD13 LEU 34 HD13 LEU 34 14.888 15.937 9.232 259 HD21 LEU 34 HD21 LEU 34 14.040 17.553 11.688 260 HD22 LEU 34 HD22 LEU 34 15.496 18.530 11.879 261 HD23 LEU 34 HD23 LEU 34 15.629 16.802 11.554 262 H LEU 35 HN LEU 35 18.165 16.882 7.285 263 HA LEU 35 HA LEU 35 16.500 14.707 6.556 264 HB2 LEU 35 HB2 LEU 35 18.540 16.366 5.190 265 HB3 LEU 35 HB1 LEU 35 18.159 14.813 4.470 266 HG LEU 35 HG LEU 35 16.837 16.575 3.442 267 HD11 LEU 35 HD11 LEU 35 15.168 14.787 5.205 268 HD12 LEU 35 HD12 LEU 35 15.844 14.359 3.634 269 HD13 LEU 35 HD13 LEU 35 14.613 15.615 3.750 270 HD21 LEU 35 HD21 LEU 35 15.158 17.815 4.707 271 HD22 LEU 35 HD22 LEU 35 16.783 18.153 5.303 272 HD23 LEU 35 HD23 LEU 35 15.724 17.067 6.200 273 H CYS 36 HN CYS 36 19.783 14.851 7.718 274 HA CYS 36 HA CYS 36 20.653 12.305 6.890 275 HB2 CYS 36 HB2 CYS 36 21.365 14.032 9.244 276 HB3 CYS 36 HB1 CYS 36 22.080 12.438 9.037 277 HG CYS 36 HG CYS 36 22.466 15.197 7.081 278 H ARG 37 HN ARG 37 18.192 13.144 9.050 279 HA ARG 37 HA ARG 37 18.365 10.634 10.538 280 HB2 ARG 37 HB2 ARG 37 16.351 12.860 10.873 281 HB3 ARG 37 HB1 ARG 37 16.731 11.576 12.017 282 HG2 ARG 37 HG2 ARG 37 18.990 12.501 12.287 283 HG3 ARG 37 HG1 ARG 37 18.574 13.804 11.174 284 HD2 ARG 37 HD2 ARG 37 16.736 14.452 12.727 285 HD3 ARG 37 HD1 ARG 37 17.339 13.246 13.865 286 HE ARG 37 HE ARG 37 19.155 15.344 12.921 287 HH11 ARG 37 HH11 ARG 37 17.286 13.928 15.519 288 HH12 ARG 37 HH12 ARG 37 18.105 14.816 16.765 289 HH21 ARG 37 HH21 ARG 37 20.231 16.522 14.583 290 HH22 ARG 37 HH22 ARG 37 19.767 16.277 16.241 291 H ARG 38 HN ARG 38 17.191 11.656 7.684 292 HA ARG 38 HA ARG 38 14.940 9.756 7.737 293 HB2 ARG 38 HB2 ARG 38 14.154 11.996 7.225 294 HB3 ARG 38 HB1 ARG 38 15.384 12.184 5.984 295 HG2 ARG 38 HG2 ARG 38 13.487 11.735 4.754 296 HG3 ARG 38 HG1 ARG 38 14.257 10.154 4.866 297 HD2 ARG 38 HD2 ARG 38 11.964 11.153 6.555 298 HD3 ARG 38 HD1 ARG 38 11.856 9.989 5.241 299 HE ARG 38 HE ARG 38 12.811 9.516 7.943 300 HH11 ARG 38 HH11 ARG 38 12.658 8.295 4.653 301 HH12 ARG 38 HH12 ARG 38 12.855 6.636 5.127 302 HH21 ARG 38 HH21 ARG 38 13.002 7.337 8.561 303 HH22 ARG 38 HH22 ARG 38 13.015 6.087 7.353 304 H LEU 39 HN LEU 39 17.593 11.041 5.741 305 HA LEU 39 HA LEU 39 17.728 8.434 4.377 306 HB2 LEU 39 HB2 LEU 39 17.969 11.167 3.118 307 HB3 LEU 39 HB1 LEU 39 18.355 9.666 2.300 308 HG LEU 39 HG LEU 39 15.622 10.382 3.363 309 HD11 LEU 39 HD11 LEU 39 16.249 11.831 1.512 310 HD12 LEU 39 HD12 LEU 39 15.004 10.682 1.019 311 HD13 LEU 39 HD13 LEU 39 16.682 10.422 0.543 312 HD21 LEU 39 HD21 LEU 39 16.028 7.982 3.299 313 HD22 LEU 39 HD22 LEU 39 16.555 8.105 1.622 314 HD23 LEU 39 HD23 LEU 39 14.880 8.456 2.046 315 H SER 40 HN SER 40 19.915 8.481 2.991 316 HA SER 40 HA SER 40 21.983 8.947 4.991 317 HB2 SER 40 HB2 SER 40 22.277 7.553 2.327 318 HB3 SER 40 HB1 SER 40 23.335 7.428 3.733 319 HG SER 40 HG SER 40 20.693 6.445 3.431 320 H HIS 41 HN HIS 41 24.200 9.504 3.981 321 HA HIS 41 HA HIS 41 24.121 12.181 3.244 322 HB2 HIS 41 HB2 HIS 41 26.523 12.046 2.909 323 HB3 HIS 41 HB1 HIS 41 26.059 11.134 4.337 324 HD1 HIS 41 HD1 HIS 41 28.185 10.889 1.491 325 HD2 HIS 41 HD2 HIS 41 25.817 8.199 3.599 326 HE1 HIS 41 HE1 HIS 41 29.090 8.614 0.941 327 HE2 HIS 41 HE2 HIS 41 27.513 7.009 2.061 328 H ASP 42 HN ASP 42 24.164 9.346 1.165 329 HA ASP 42 HA ASP 42 24.927 10.825 -1.168 330 HB2 ASP 42 HB2 ASP 42 23.877 8.043 -0.747 331 HB3 ASP 42 HB1 ASP 42 24.043 8.715 -2.367 332 H GLU 43 HN GLU 43 21.856 9.635 0.146 333 HA GLU 43 HA GLU 43 20.233 10.549 -1.952 334 HB2 GLU 43 HB2 GLU 43 19.527 10.278 0.973 335 HB3 GLU 43 HB1 GLU 43 18.370 10.486 -0.331 336 HG2 GLU 43 HG2 GLU 43 18.261 8.236 -0.043 337 HG3 GLU 43 HG1 GLU 43 19.524 8.328 -1.272 338 H VAL 44 HN VAL 44 21.171 12.141 1.104 339 HA VAL 44 HA VAL 44 19.748 14.528 0.520 340 HB VAL 44 HB VAL 44 21.001 15.590 2.312 341 HG11 VAL 44 HG11 VAL 44 19.150 14.160 2.927 342 HG12 VAL 44 HG12 VAL 44 20.426 14.051 4.137 343 HG13 VAL 44 HG13 VAL 44 20.215 12.755 2.961 344 HG21 VAL 44 HG21 VAL 44 22.758 14.393 3.531 345 HG22 VAL 44 HG22 VAL 44 23.221 14.708 1.858 346 HG23 VAL 44 HG23 VAL 44 22.694 13.095 2.338 347 H LYS 45 HN LYS 45 23.018 13.446 -0.211 348 HA LYS 45 HA LYS 45 24.037 15.818 -1.293 349 HB2 LYS 45 HB2 LYS 45 25.513 13.980 -0.934 350 HB3 LYS 45 HB1 LYS 45 24.556 12.913 -1.940 351 HG2 LYS 45 HG2 LYS 45 25.156 14.472 -3.869 352 HG3 LYS 45 HG1 LYS 45 26.368 15.149 -2.778 353 HD2 LYS 45 HD2 LYS 45 27.403 13.445 -4.134 354 HD3 LYS 45 HD1 LYS 45 27.290 12.861 -2.473 355 HE2 LYS 45 HE2 LYS 45 25.290 11.577 -3.059 356 HE3 LYS 45 HE1 LYS 45 25.389 12.171 -4.715 357 HZ1 LYS 45 HZ1 LYS 45 27.633 11.108 -4.813 358 HZ2 LYS 45 HZ2 LYS 45 26.333 10.023 -4.685 359 HZ3 LYS 45 HZ3 LYS 45 27.284 10.364 -3.326 360 H ALA 46 HN ALA 46 22.222 13.180 -2.836 361 HA ALA 46 HA ALA 46 22.218 14.226 -5.441 362 HB1 ALA 46 HB1 ALA 46 20.152 12.454 -4.138 363 HB2 ALA 46 HB2 ALA 46 21.626 11.906 -4.937 364 HB3 ALA 46 HB3 ALA 46 20.361 12.704 -5.871 365 H VAL 47 HN VAL 47 19.720 14.416 -2.908 366 HA VAL 47 HA VAL 47 17.883 15.967 -4.293 367 HB VAL 47 HB VAL 47 18.424 15.637 -1.366 368 HG11 VAL 47 HG11 VAL 47 16.442 17.513 -2.616 369 HG12 VAL 47 HG12 VAL 47 17.667 17.878 -1.406 370 HG13 VAL 47 HG13 VAL 47 16.272 16.889 -0.978 371 HG21 VAL 47 HG21 VAL 47 17.350 13.815 -2.564 372 HG22 VAL 47 HG22 VAL 47 16.102 14.922 -3.140 373 HG23 VAL 47 HG23 VAL 47 16.231 14.558 -1.419 374 H ALA 48 HN ALA 48 20.478 17.102 -2.107 375 HA ALA 48 HA ALA 48 19.881 19.831 -2.336 376 HB1 ALA 48 HB1 ALA 48 22.564 18.543 -1.845 377 HB2 ALA 48 HB2 ALA 48 21.365 18.950 -0.617 378 HB3 ALA 48 HB3 ALA 48 22.156 20.232 -1.535 379 H ASN 49 HN ASN 49 21.942 17.742 -4.292 380 HA ASN 49 HA ASN 49 23.122 19.790 -5.836 381 HB2 ASN 49 HB2 ASN 49 23.960 17.422 -5.600 382 HB3 ASN 49 HB1 ASN 49 22.680 16.931 -6.703 383 HD21 ASN 49 HD21 ASN 49 25.713 18.532 -6.376 384 HD22 ASN 49 HD22 ASN 49 26.051 18.709 -8.066 385 H GLU 50 HN GLU 50 20.339 17.643 -6.500 386 HA GLU 50 HA GLU 50 19.841 18.892 -9.030 387 HB2 GLU 50 HB2 GLU 50 17.837 17.526 -9.139 388 HB3 GLU 50 HB1 GLU 50 19.208 16.555 -8.624 389 HG2 GLU 50 HG2 GLU 50 18.429 16.701 -6.308 390 HG3 GLU 50 HG1 GLU 50 17.049 17.657 -6.843 391 H LEU 51 HN LEU 51 18.697 19.356 -5.752 392 HA LEU 51 HA LEU 51 16.534 21.051 -6.316 393 HB2 LEU 51 HB2 LEU 51 16.968 20.093 -4.091 394 HB3 LEU 51 HB1 LEU 51 18.401 21.093 -3.942 395 HG LEU 51 HG LEU 51 17.011 23.117 -3.941 396 HD11 LEU 51 HD11 LEU 51 14.691 21.195 -4.050 397 HD12 LEU 51 HD12 LEU 51 15.171 22.318 -5.322 398 HD13 LEU 51 HD13 LEU 51 14.576 22.933 -3.780 399 HD21 LEU 51 HD21 LEU 51 16.116 21.045 -1.941 400 HD22 LEU 51 HD22 LEU 51 15.972 22.793 -1.756 401 HD23 LEU 51 HD23 LEU 51 17.566 22.041 -1.819 402 H MET 52 HN MET 52 19.991 21.714 -5.852 403 HA MET 52 HA MET 52 19.852 24.503 -6.330 404 HB2 MET 52 HB2 MET 52 22.058 22.483 -6.691 405 HB3 MET 52 HB1 MET 52 22.280 24.177 -7.093 406 HG2 MET 52 HG2 MET 52 21.726 24.754 -4.746 407 HG3 MET 52 HG1 MET 52 21.654 23.028 -4.385 408 HE1 MET 52 HE1 MET 52 23.425 23.814 -2.433 409 HE2 MET 52 HE2 MET 52 23.602 25.433 -3.106 410 HE3 MET 52 HE3 MET 52 25.030 24.447 -2.797 411 H ARG 53 HN ARG 53 20.147 21.717 -8.449 412 HA ARG 53 HA ARG 53 20.896 23.140 -10.780 413 HB2 ARG 53 HB2 ARG 53 21.242 20.678 -10.319 414 HB3 ARG 53 HB1 ARG 53 19.535 20.448 -10.674 415 HG2 ARG 53 HG2 ARG 53 19.931 21.392 -12.934 416 HG3 ARG 53 HG1 ARG 53 21.656 21.452 -12.562 417 HD2 ARG 53 HD2 ARG 53 19.890 19.021 -12.771 418 HD3 ARG 53 HD1 ARG 53 21.274 19.444 -13.778 419 HE ARG 53 HE ARG 53 22.404 19.263 -11.353 420 HH11 ARG 53 HH11 ARG 53 20.305 17.093 -13.153 421 HH12 ARG 53 HH12 ARG 53 20.847 15.675 -12.302 422 HH21 ARG 53 HH21 ARG 53 23.108 17.377 -10.245 423 HH22 ARG 53 HH22 ARG 53 22.424 15.833 -10.668 424 H LEU 54 HN LEU 54 17.765 21.739 -9.779 425 HA LEU 54 HA LEU 54 16.502 22.896 -12.130 426 HB2 LEU 54 HB2 LEU 54 15.519 21.062 -9.959 427 HB3 LEU 54 HB1 LEU 54 14.427 21.775 -11.127 428 HG LEU 54 HG LEU 54 14.899 19.602 -11.915 429 HD11 LEU 54 HD11 LEU 54 16.031 19.980 -14.032 430 HD12 LEU 54 HD12 LEU 54 16.681 21.502 -13.424 431 HD13 LEU 54 HD13 LEU 54 14.942 21.312 -13.646 432 HD21 LEU 54 HD21 LEU 54 17.827 20.199 -11.531 433 HD22 LEU 54 HD22 LEU 54 17.161 18.735 -12.253 434 HD23 LEU 54 HD23 LEU 54 16.848 19.102 -10.557 435 H GLY 55 HN GLY 55 16.617 23.448 -8.673 436 HA2 GLY 55 HA2 GLY 55 14.608 25.584 -8.996 437 HA3 GLY 55 HA1 GLY 55 14.986 24.783 -7.477 438 H ASP 56 HN ASP 56 15.526 26.601 -6.327 439 HA ASP 56 HA ASP 56 18.076 27.805 -7.127 440 HB2 ASP 56 HB2 ASP 56 15.553 29.193 -6.465 441 HB3 ASP 56 HB1 ASP 56 17.008 29.848 -5.715 442 H PHE 57 HN PHE 57 19.459 28.373 -5.511 443 HA PHE 57 HA PHE 57 18.981 27.725 -2.750 444 HB2 PHE 57 HB2 PHE 57 19.340 25.524 -4.169 445 HB3 PHE 57 HB1 PHE 57 21.018 26.034 -4.190 446 HD1 PHE 57 HD1 PHE 57 21.842 26.727 -1.654 447 HD2 PHE 57 HD2 PHE 57 18.825 23.911 -2.672 448 HE1 PHE 57 HE1 PHE 57 22.224 25.563 0.475 449 HE2 PHE 57 HE2 PHE 57 19.195 22.743 -0.540 450 HZ PHE 57 HZ PHE 57 20.896 23.567 1.038 451 H ASP 58 HN ASP 58 20.910 28.400 -1.488 452 HA ASP 58 HA ASP 58 22.388 30.483 -2.709 453 HB2 ASP 58 HB2 ASP 58 21.931 30.184 -0.211 454 HB3 ASP 58 HB1 ASP 58 23.250 29.014 -0.218 455 H GLN 59 HN GLN 59 24.362 30.479 -3.700 456 HA GLN 59 HA GLN 59 25.107 27.934 -4.785 457 HB2 GLN 59 HB2 GLN 59 26.193 30.707 -5.266 458 HB3 GLN 59 HB1 GLN 59 26.720 29.273 -6.140 459 HG2 GLN 59 HG2 GLN 59 23.916 30.363 -6.085 460 HG3 GLN 59 HG1 GLN 59 25.074 30.560 -7.400 461 HE21 GLN 59 HE21 GLN 59 22.423 29.273 -7.339 462 HE22 GLN 59 HE22 GLN 59 22.687 27.653 -7.901 463 H ILE 60 HN ILE 60 25.852 26.879 -2.951 464 HA ILE 60 HA ILE 60 28.610 27.576 -2.169 465 HB ILE 60 HB ILE 60 28.152 26.275 -0.075 466 HG12 ILE 60 HG12 ILE 60 25.276 26.476 -0.998 467 HG13 ILE 60 HG11 ILE 60 26.228 24.996 -0.953 468 HG21 ILE 60 HG21 ILE 60 28.127 28.698 -0.049 469 HG22 ILE 60 HG22 ILE 60 26.882 28.069 1.029 470 HG23 ILE 60 HG23 ILE 60 26.437 28.708 -0.553 471 HD11 ILE 60 HD11 ILE 60 24.702 25.165 0.936 472 HD12 ILE 60 HD12 ILE 60 25.482 26.667 1.434 473 HD13 ILE 60 HD13 ILE 60 26.386 25.152 1.460 474 H ASP 61 HN ASP 61 29.493 25.297 -1.068 475 HA ASP 61 HA ASP 61 29.154 23.308 -3.206 476 HB2 ASP 61 HB2 ASP 61 31.471 24.023 -2.849 477 HB3 ASP 61 HB1 ASP 61 31.370 23.550 -1.160 478 H ILE 62 HN ILE 62 28.110 21.510 -2.823 479 HA ILE 62 HA ILE 62 26.818 21.091 -0.331 480 HB ILE 62 HB ILE 62 26.981 19.354 -2.794 481 HG12 ILE 62 HG12 ILE 62 25.822 21.450 -3.165 482 HG13 ILE 62 HG11 ILE 62 24.642 20.145 -3.111 483 HG21 ILE 62 HG21 ILE 62 25.227 19.016 -0.364 484 HG22 ILE 62 HG22 ILE 62 26.533 17.943 -0.867 485 HG23 ILE 62 HG23 ILE 62 25.087 18.099 -1.864 486 HD11 ILE 62 HD11 ILE 62 23.818 22.066 -1.912 487 HD12 ILE 62 HD12 ILE 62 25.259 22.088 -0.897 488 HD13 ILE 62 HD13 ILE 62 24.121 20.743 -0.785 489 H GLY 63 HN GLY 63 29.605 19.597 -1.897 490 HA2 GLY 63 HA2 GLY 63 29.861 17.338 -0.258 491 HA3 GLY 63 HA1 GLY 63 31.176 18.115 -1.126 492 H VAL 64 HN VAL 64 31.377 20.532 0.044 493 HA VAL 64 HA VAL 64 32.802 20.044 2.404 494 HB VAL 64 HB VAL 64 31.634 22.666 1.432 495 HG11 VAL 64 HG11 VAL 64 32.236 22.791 3.795 496 HG12 VAL 64 HG12 VAL 64 33.362 23.730 2.814 497 HG13 VAL 64 HG13 VAL 64 33.839 22.149 3.434 498 HG21 VAL 64 HG21 VAL 64 33.104 21.660 -0.210 499 HG22 VAL 64 HG22 VAL 64 34.355 21.433 1.012 500 HG23 VAL 64 HG23 VAL 64 33.884 23.061 0.525 501 H VAL 65 HN VAL 65 29.436 20.941 1.907 502 HA VAL 65 HA VAL 65 28.991 21.609 4.663 503 HB VAL 65 HB VAL 65 27.059 21.172 2.382 504 HG11 VAL 65 HG11 VAL 65 26.489 22.185 5.168 505 HG12 VAL 65 HG12 VAL 65 25.949 20.650 4.491 506 HG13 VAL 65 HG13 VAL 65 25.345 22.168 3.825 507 HG21 VAL 65 HG21 VAL 65 27.996 23.681 3.767 508 HG22 VAL 65 HG22 VAL 65 26.812 23.601 2.462 509 HG23 VAL 65 HG23 VAL 65 28.487 23.139 2.161 510 H ILE 66 HN ILE 66 27.972 18.878 2.579 511 HA ILE 66 HA ILE 66 26.598 17.695 4.820 512 HB ILE 66 HB ILE 66 25.905 15.924 3.296 513 HG12 ILE 66 HG12 ILE 66 27.494 17.353 1.161 514 HG13 ILE 66 HG11 ILE 66 28.043 15.889 1.970 515 HG21 ILE 66 HG21 ILE 66 24.600 17.309 1.746 516 HG22 ILE 66 HG22 ILE 66 25.631 18.690 2.123 517 HG23 ILE 66 HG23 ILE 66 24.612 17.981 3.376 518 HD11 ILE 66 HD11 ILE 66 27.071 15.377 -0.179 519 HD12 ILE 66 HD12 ILE 66 25.566 16.166 0.294 520 HD13 ILE 66 HD13 ILE 66 26.091 14.698 1.120 521 H THR 67 HN THR 67 29.515 16.851 2.961 522 HA THR 67 HA THR 67 29.736 14.454 4.624 523 HB THR 67 HB THR 67 31.479 13.712 3.028 524 HG1 THR 67 HG1 THR 67 31.199 16.299 2.130 525 HG21 THR 67 HG21 THR 67 29.951 13.281 1.147 526 HG22 THR 67 HG22 THR 67 28.846 14.508 1.767 527 HG23 THR 67 HG23 THR 67 29.152 13.044 2.700 528 H HIS 68 HN HIS 68 30.653 17.509 4.930 529 HA HIS 68 HA HIS 68 33.075 16.730 6.402 530 HB2 HIS 68 HB2 HIS 68 33.565 18.082 4.308 531 HB3 HIS 68 HB1 HIS 68 32.701 19.418 5.059 532 HD1 HIS 68 HD1 HIS 68 35.959 18.688 4.366 533 HD2 HIS 68 HD2 HIS 68 34.057 19.584 7.956 534 HE1 HIS 68 HE1 HIS 68 37.766 19.520 5.903 535 HE2 HIS 68 HE2 HIS 68 36.618 19.910 8.112 536 H PHE 69 HN PHE 69 31.078 16.445 7.864 537 HA PHE 69 HA PHE 69 29.756 18.541 9.084 538 HB2 PHE 69 HB2 PHE 69 30.762 15.951 10.266 539 HB3 PHE 69 HB1 PHE 69 29.717 17.065 11.134 540 HD1 PHE 69 HD2 PHE 69 27.409 17.464 10.337 541 HD2 PHE 69 HD1 PHE 69 29.903 14.471 8.625 542 HE1 PHE 69 HE2 PHE 69 25.430 16.378 9.361 543 HE2 PHE 69 HE1 PHE 69 27.926 13.378 7.647 544 HZ PHE 69 HZ PHE 69 25.687 14.332 8.016 545 H THR 70 HN THR 70 30.136 19.789 10.908 546 HA THR 70 HA THR 70 32.941 19.944 11.793 547 HB THR 70 HB THR 70 31.081 22.320 11.535 548 HG1 THR 70 HG1 THR 70 32.022 21.008 9.535 549 HG21 THR 70 HG21 THR 70 33.149 23.624 11.686 550 HG22 THR 70 HG22 THR 70 34.083 22.135 11.835 551 HG23 THR 70 HG23 THR 70 32.951 22.596 13.105 552 H ASP 71 HN ASP 71 33.132 20.922 14.022 553 HA ASP 71 HA ASP 71 31.249 19.608 15.743 554 HB2 ASP 71 HB2 ASP 71 33.663 21.328 16.324 555 HB3 ASP 71 HB1 ASP 71 32.676 20.591 17.582 556 H GLU 72 HN GLU 72 31.513 22.738 14.432 557 HA GLU 72 HA GLU 72 29.720 23.858 16.466 558 HB2 GLU 72 HB2 GLU 72 31.836 25.064 15.825 559 HB3 GLU 72 HB1 GLU 72 31.135 25.313 14.233 560 HG2 GLU 72 HG2 GLU 72 30.871 27.287 15.595 561 HG3 GLU 72 HG1 GLU 72 29.300 26.573 15.236 562 H LEU 73 HN LEU 73 29.921 23.000 13.093 563 HA LEU 73 HA LEU 73 27.147 23.910 12.712 564 HB2 LEU 73 HB2 LEU 73 29.389 23.632 10.712 565 HB3 LEU 73 HB1 LEU 73 27.713 23.871 10.253 566 HG LEU 73 HG LEU 73 29.362 25.805 11.886 567 HD11 LEU 73 HD11 LEU 73 29.302 27.210 9.898 568 HD12 LEU 73 HD12 LEU 73 28.439 25.947 9.020 569 HD13 LEU 73 HD13 LEU 73 30.097 25.672 9.558 570 HD21 LEU 73 HD21 LEU 73 27.481 27.325 11.567 571 HD22 LEU 73 HD22 LEU 73 26.986 25.877 12.442 572 HD23 LEU 73 HD23 LEU 73 26.587 26.054 10.732 573 HA PRO 74 HA PRO 74 25.466 23.585 11.673 574 HB2 PRO 74 HB2 PRO 74 23.114 22.340 12.045 575 HB3 PRO 74 HB1 PRO 74 23.966 22.299 10.498 576 HG2 PRO 74 HG2 PRO 74 23.725 20.196 12.584 577 HG3 PRO 74 HG1 PRO 74 23.838 20.032 10.823 578 HD2 PRO 74 HD2 PRO 74 25.927 19.687 12.659 579 HD3 PRO 74 HD1 PRO 74 26.093 19.867 10.904 580 H SER 75 HN SER 75 24.658 24.901 13.210 581 HA SER 75 HA SER 75 25.010 24.162 15.965 582 HB2 SER 75 HB2 SER 75 23.891 26.730 14.812 583 HB3 SER 75 HB1 SER 75 24.560 26.492 16.429 584 HG SER 75 HG SER 75 26.503 25.741 15.012 585 HA PRO 76 HA PRO 76 20.964 22.634 16.829 586 HB2 PRO 76 HB2 PRO 76 21.240 24.064 19.418 587 HB3 PRO 76 HB1 PRO 76 20.904 22.358 19.105 588 HG2 PRO 76 HG2 PRO 76 23.305 23.145 19.951 589 HG3 PRO 76 HG1 PRO 76 23.136 21.846 18.756 590 HD2 PRO 76 HD2 PRO 76 23.945 24.695 18.362 591 HD3 PRO 76 HD1 PRO 76 24.538 23.229 17.553 592 H GLU 77 HN GLU 77 21.635 25.985 17.740 593 HA GLU 77 HA GLU 77 19.030 26.928 18.009 594 HB2 GLU 77 HB2 GLU 77 21.549 27.991 18.199 595 HB3 GLU 77 HB1 GLU 77 20.935 28.794 16.762 596 HG2 GLU 77 HG2 GLU 77 19.532 28.768 19.423 597 HG3 GLU 77 HG1 GLU 77 20.599 30.056 18.869 598 H ASP 78 HN ASP 78 21.092 26.682 15.145 599 HA ASP 78 HA ASP 78 19.199 27.863 13.366 600 HB2 ASP 78 HB2 ASP 78 21.661 26.188 12.831 601 HB3 ASP 78 HB1 ASP 78 20.716 26.991 11.580 602 H VAL 79 HN VAL 79 20.067 24.563 14.260 603 HA VAL 79 HA VAL 79 18.534 23.175 12.374 604 HB VAL 79 HB VAL 79 19.093 22.376 15.238 605 HG11 VAL 79 HG11 VAL 79 18.253 20.700 12.872 606 HG12 VAL 79 HG12 VAL 79 17.270 21.071 14.289 607 HG13 VAL 79 HG13 VAL 79 18.719 20.080 14.455 608 HG21 VAL 79 HG21 VAL 79 20.954 21.099 14.296 609 HG22 VAL 79 HG22 VAL 79 21.129 22.824 13.972 610 HG23 VAL 79 HG23 VAL 79 20.584 21.738 12.693 611 H GLU 80 HN GLU 80 17.618 24.336 15.601 612 HA GLU 80 HA GLU 80 14.951 23.439 15.537 613 HB2 GLU 80 HB2 GLU 80 16.132 24.172 17.581 614 HB3 GLU 80 HB1 GLU 80 16.129 25.823 16.983 615 HG2 GLU 80 HG2 GLU 80 14.406 25.513 18.643 616 HG3 GLU 80 HG1 GLU 80 13.692 25.853 17.068 617 H ARG 81 HN ARG 81 16.492 26.390 14.379 618 HA ARG 81 HA ARG 81 14.113 27.798 13.804 619 HB2 ARG 81 HB2 ARG 81 16.962 28.184 13.357 620 HB3 ARG 81 HB1 ARG 81 15.992 28.772 12.011 621 HG2 ARG 81 HG2 ARG 81 14.679 30.146 13.541 622 HG3 ARG 81 HG1 ARG 81 15.627 29.544 14.900 623 HD2 ARG 81 HD2 ARG 81 16.906 30.926 12.561 624 HD3 ARG 81 HD1 ARG 81 16.251 31.827 13.928 625 HE ARG 81 HE ARG 81 17.850 30.634 15.350 626 HH11 ARG 81 HH11 ARG 81 18.461 30.667 11.889 627 HH12 ARG 81 HH12 ARG 81 20.161 30.327 12.072 628 HH21 ARG 81 HH21 ARG 81 20.061 30.283 15.577 629 HH22 ARG 81 HH22 ARG 81 21.075 30.137 14.167 630 H VAL 82 HN VAL 82 16.229 25.826 11.674 631 HA VAL 82 HA VAL 82 14.588 26.187 9.384 632 HB VAL 82 HB VAL 82 16.986 25.332 9.353 633 HG11 VAL 82 HG11 VAL 82 16.767 23.578 11.028 634 HG12 VAL 82 HG12 VAL 82 17.335 22.929 9.489 635 HG13 VAL 82 HG13 VAL 82 15.654 22.706 9.975 636 HG21 VAL 82 HG21 VAL 82 14.939 23.784 7.778 637 HG22 VAL 82 HG22 VAL 82 16.640 23.976 7.361 638 HG23 VAL 82 HG23 VAL 82 15.571 25.378 7.365 639 H ARG 83 HN ARG 83 14.571 23.896 12.032 640 HA ARG 83 HA ARG 83 12.738 22.040 11.044 641 HB2 ARG 83 HB2 ARG 83 13.994 21.611 13.062 642 HB3 ARG 83 HB1 ARG 83 13.265 22.990 13.865 643 HG2 ARG 83 HG2 ARG 83 11.470 20.823 12.911 644 HG3 ARG 83 HG1 ARG 83 12.473 20.520 14.331 645 HD2 ARG 83 HD2 ARG 83 11.571 22.618 15.329 646 HD3 ARG 83 HD1 ARG 83 10.473 22.746 13.956 647 HE ARG 83 HE ARG 83 9.565 20.538 14.718 648 HH11 ARG 83 HH11 ARG 83 11.244 22.653 16.954 649 HH12 ARG 83 HH12 ARG 83 10.347 22.102 18.342 650 HH21 ARG 83 HH21 ARG 83 8.367 19.831 16.529 651 HH22 ARG 83 HH22 ARG 83 8.706 20.497 18.094 652 H ALA 84 HN ALA 84 12.140 24.949 13.026 653 HA ALA 84 HA ALA 84 9.331 24.762 12.963 654 HB1 ALA 84 HB1 ALA 84 10.535 26.148 14.572 655 HB2 ALA 84 HB2 ALA 84 9.328 27.086 13.691 656 HB3 ALA 84 HB3 ALA 84 11.035 27.229 13.272 657 H ARG 85 HN ARG 85 11.615 26.437 10.835 658 HA ARG 85 HA ARG 85 9.809 27.831 9.237 659 HB2 ARG 85 HB2 ARG 85 12.485 26.601 8.589 660 HB3 ARG 85 HB1 ARG 85 11.578 27.550 7.421 661 HG2 ARG 85 HG2 ARG 85 11.671 29.481 8.909 662 HG3 ARG 85 HG1 ARG 85 12.569 28.525 10.092 663 HD2 ARG 85 HD2 ARG 85 14.392 28.233 8.545 664 HD3 ARG 85 HD1 ARG 85 13.485 29.039 7.266 665 HE ARG 85 HE ARG 85 13.738 30.779 9.466 666 HH11 ARG 85 HH11 ARG 85 15.726 29.264 7.002 667 HH12 ARG 85 HH12 ARG 85 16.829 30.604 6.894 668 HH21 ARG 85 HH21 ARG 85 15.205 32.535 9.330 669 HH22 ARG 85 HH22 ARG 85 16.521 32.468 8.194 670 H LEU 86 HN LEU 86 11.222 24.611 8.637 671 HA LEU 86 HA LEU 86 9.677 24.142 6.313 672 HB2 LEU 86 HB2 LEU 86 11.413 22.471 8.065 673 HB3 LEU 86 HB1 LEU 86 10.350 21.662 6.933 674 HG LEU 86 HG LEU 86 12.630 21.947 6.045 675 HD11 LEU 86 HD11 LEU 86 10.751 21.812 4.510 676 HD12 LEU 86 HD12 LEU 86 12.002 22.885 3.882 677 HD13 LEU 86 HD13 LEU 86 10.537 23.560 4.598 678 HD21 LEU 86 HD21 LEU 86 12.027 24.899 6.133 679 HD22 LEU 86 HD22 LEU 86 13.460 24.143 5.434 680 HD23 LEU 86 HD23 LEU 86 13.175 24.059 7.173 681 H ALA 87 HN ALA 87 9.237 23.225 9.705 682 HA ALA 87 HA ALA 87 7.103 21.436 9.343 683 HB1 ALA 87 HB1 ALA 87 7.655 23.193 11.730 684 HB2 ALA 87 HB2 ALA 87 8.363 21.604 11.433 685 HB3 ALA 87 HB3 ALA 87 6.628 21.760 11.707 686 H ALA 88 HN ALA 88 7.212 24.899 9.309 687 HA ALA 88 HA ALA 88 4.473 25.421 9.784 688 HB1 ALA 88 HB1 ALA 88 4.911 27.620 8.838 689 HB2 ALA 88 HB2 ALA 88 6.456 27.054 8.203 690 HB3 ALA 88 HB3 ALA 88 6.201 27.149 9.945 691 H GLN 89 HN GLN 89 6.181 24.227 7.028 692 HA GLN 89 HA GLN 89 3.826 24.677 5.326 693 HB2 GLN 89 HB2 GLN 89 6.715 24.222 4.731 694 HB3 GLN 89 HB1 GLN 89 5.536 23.641 3.566 695 HG2 GLN 89 HG2 GLN 89 5.893 25.705 2.712 696 HG3 GLN 89 HG1 GLN 89 4.588 26.092 3.827 697 HE21 GLN 89 HE21 GLN 89 6.401 25.825 6.150 698 HE22 GLN 89 HE22 GLN 89 7.367 27.254 6.154 699 H GLY 90 HN GLY 90 5.913 22.202 6.665 700 HA2 GLY 90 HA2 GLY 90 3.901 20.286 6.891 701 HA3 GLY 90 HA1 GLY 90 4.746 19.974 5.377 702 H TRP 91 HN TRP 91 4.817 18.062 7.332 703 HA TRP 91 HA TRP 91 7.649 17.972 7.872 704 HB2 TRP 91 HB2 TRP 91 6.512 19.209 9.828 705 HB3 TRP 91 HB1 TRP 91 5.822 17.643 10.245 706 HD1 TRP 91 HD1 TRP 91 7.297 16.066 11.664 707 HE1 TRP 91 HE1 TRP 91 9.731 16.118 12.502 708 HE3 TRP 91 HE3 TRP 91 8.969 20.111 9.029 709 HZ2 TRP 91 HZ2 TRP 91 12.053 17.677 12.096 710 HZ3 TRP 91 HZ3 TRP 91 11.308 20.818 9.309 711 HH2 TRP 91 HH2 TRP 91 12.816 19.625 10.812 712 HA PRO 92 HA PRO 92 5.855 13.880 6.939 713 HB2 PRO 92 HB2 PRO 92 7.782 13.104 5.214 714 HB3 PRO 92 HB1 PRO 92 6.441 14.146 4.733 715 HG2 PRO 92 HG2 PRO 92 9.273 14.852 5.322 716 HG3 PRO 92 HG1 PRO 92 8.171 15.538 4.120 717 HD2 PRO 92 HD2 PRO 92 8.784 16.687 6.564 718 HD3 PRO 92 HD1 PRO 92 7.354 17.066 5.588 719 H LEU 93 HN LEU 93 7.962 14.815 9.041 720 HA LEU 93 HA LEU 93 9.388 12.262 9.304 721 HB2 LEU 93 HB2 LEU 93 9.911 14.937 10.610 722 HB3 LEU 93 HB1 LEU 93 10.750 13.463 11.042 723 HG LEU 93 HG LEU 93 12.211 14.664 9.637 724 HD11 LEU 93 HD11 LEU 93 12.465 13.224 7.686 725 HD12 LEU 93 HD12 LEU 93 10.851 12.570 7.959 726 HD13 LEU 93 HD13 LEU 93 12.126 12.294 9.146 727 HD21 LEU 93 HD21 LEU 93 11.591 15.489 7.414 728 HD22 LEU 93 HD22 LEU 93 10.644 16.249 8.693 729 HD23 LEU 93 HD23 LEU 93 9.926 14.981 7.700 730 H ASP 94 HN ASP 94 7.711 11.052 10.146 731 HA ASP 94 HA ASP 94 7.162 11.640 12.962 732 HB2 ASP 94 HB2 ASP 94 4.853 10.895 12.765 733 HB3 ASP 94 HB1 ASP 94 5.139 12.241 11.671 734 H ASP 95 HN ASP 95 7.567 9.997 14.273 735 HA ASP 95 HA ASP 95 7.378 7.256 13.665 736 HB2 ASP 95 HB2 ASP 95 9.399 8.141 12.216 737 HB3 ASP 95 HB1 ASP 95 10.263 8.104 13.748 738 H VAL 96 HN VAL 96 9.355 6.207 15.324 739 HA VAL 96 HA VAL 96 8.501 7.269 17.903 740 HB VAL 96 HB VAL 96 8.437 4.834 17.559 741 HG11 VAL 96 HG11 VAL 96 10.506 3.529 17.443 742 HG12 VAL 96 HG12 VAL 96 11.435 5.022 17.320 743 HG13 VAL 96 HG13 VAL 96 10.309 4.577 16.038 744 HG21 VAL 96 HG21 VAL 96 9.583 4.161 19.616 745 HG22 VAL 96 HG22 VAL 96 8.708 5.680 19.818 746 HG23 VAL 96 HG23 VAL 96 10.461 5.691 19.622 747 H ARG 97 HN ARG 97 9.849 8.227 19.405 748 HA ARG 97 HA ARG 97 12.461 9.042 18.312 749 HB2 ARG 97 HB2 ARG 97 10.816 10.470 20.408 750 HB3 ARG 97 HB1 ARG 97 12.307 11.044 19.682 751 HG2 ARG 97 HG2 ARG 97 10.742 12.260 18.536 752 HG3 ARG 97 HG1 ARG 97 10.963 10.882 17.457 753 HD2 ARG 97 HD2 ARG 97 8.589 11.455 17.770 754 HD3 ARG 97 HD1 ARG 97 8.965 9.830 18.342 755 HE ARG 97 HE ARG 97 9.120 10.973 20.630 756 HH11 ARG 97 HH11 ARG 97 6.892 11.920 18.080 757 HH12 ARG 97 HH12 ARG 97 5.755 12.643 19.184 758 HH21 ARG 97 HH21 ARG 97 7.639 11.900 22.061 759 HH22 ARG 97 HH22 ARG 97 6.179 12.635 21.451 760 H ASP 98 HN ASP 98 14.194 8.205 19.256 761 HA ASP 98 HA ASP 98 13.942 7.121 21.967 762 HB2 ASP 98 HB2 ASP 98 16.024 6.704 19.821 763 HB3 ASP 98 HB1 ASP 98 16.180 6.070 21.456 764 H ARG 99 HN ARG 99 14.550 10.011 20.873 765 HA ARG 99 HA ARG 99 16.217 10.708 23.106 766 HB2 ARG 99 HB2 ARG 99 17.869 11.962 21.664 767 HB3 ARG 99 HB1 ARG 99 18.013 10.212 21.644 768 HG2 ARG 99 HG2 ARG 99 16.721 10.206 19.508 769 HG3 ARG 99 HG1 ARG 99 16.816 11.970 19.516 770 HD2 ARG 99 HD2 ARG 99 18.574 11.032 18.124 771 HD3 ARG 99 HD1 ARG 99 19.265 11.830 19.538 772 HE ARG 99 HE ARG 99 18.885 9.090 20.091 773 HH11 ARG 99 HH11 ARG 99 20.960 11.213 18.214 774 HH12 ARG 99 HH12 ARG 99 22.290 10.098 18.223 775 HH21 ARG 99 HH21 ARG 99 20.642 7.649 20.089 776 HH22 ARG 99 HH22 ARG 99 22.122 8.095 19.279 777 H GLU 100 HN GLU 100 13.782 11.406 23.046 778 HA GLU 100 HA GLU 100 13.529 14.058 21.822 779 HB2 GLU 100 HB2 GLU 100 11.113 13.824 22.322 780 HB3 GLU 100 HB1 GLU 100 11.714 12.537 21.286 781 HG2 GLU 100 HG2 GLU 100 11.866 11.065 23.260 782 HG3 GLU 100 HG1 GLU 100 11.169 12.353 24.242 783 H GLU 101 HN GLU 101 15.087 13.366 24.225 784 HA GLU 101 HA GLU 101 13.564 14.800 26.288 785 HB2 GLU 101 HB2 GLU 101 15.783 12.793 26.682 786 HB3 GLU 101 HB1 GLU 101 14.771 13.508 27.931 787 HG2 GLU 101 HG2 GLU 101 12.847 12.353 27.148 788 HG3 GLU 101 HG1 GLU 101 13.694 11.813 25.695 789 H HIS 102 HN HIS 102 14.992 15.898 27.903 790 HA HIS 102 HA HIS 102 17.607 16.700 27.151 791 HB2 HIS 102 HB2 HIS 102 17.115 19.117 26.801 792 HB3 HIS 102 HB1 HIS 102 16.490 18.091 25.520 793 HD1 HIS 102 HD1 HIS 102 15.557 20.958 27.254 794 HD2 HIS 102 HD2 HIS 102 13.544 17.453 26.283 795 HE1 HIS 102 HE1 HIS 102 13.109 21.515 27.408 796 HE2 HIS 102 HE2 HIS 102 11.926 19.452 26.570 797 H ALA 103 HN ALA 103 18.344 16.375 29.131 798 HA ALA 103 HA ALA 103 17.393 18.139 31.249 799 HB1 ALA 103 HB1 ALA 103 16.187 16.039 31.592 800 HB2 ALA 103 HB2 ALA 103 17.351 16.325 32.886 801 HB3 ALA 103 HB3 ALA 103 17.716 15.160 31.613 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 1.801 0.102 -5.665 2 H2 GLY 1 HT2 GLY 1 1.873 1.437 -4.620 3 H3 GLY 1 HT3 GLY 1 3.071 0.240 -4.553 4 HA2 GLY 1 HA1 GLY 1 3.878 0.823 -6.718 5 HA3 GLY 1 HA2 GLY 1 2.568 1.981 -6.900 6 H SER 2 HN SER 2 4.652 1.328 -4.098 7 HA SER 2 HA SER 2 5.021 4.155 -3.708 8 HB2 SER 2 HB2 SER 2 6.243 1.811 -2.225 9 HB3 SER 2 HB1 SER 2 6.236 3.492 -1.688 10 HG SER 2 HG SER 2 4.546 2.317 -0.706 11 H HIS 3 HN HIS 3 6.306 5.109 -5.166 12 HA HIS 3 HA HIS 3 8.864 3.857 -5.865 13 HB2 HIS 3 HB2 HIS 3 7.492 6.265 -7.091 14 HB3 HIS 3 HB1 HIS 3 8.990 5.541 -7.660 15 HD1 HIS 3 HD1 HIS 3 6.744 5.776 -9.635 16 HD2 HIS 3 HD2 HIS 3 7.229 2.455 -7.174 17 HE1 HIS 3 HE1 HIS 3 5.512 3.899 -10.771 18 HE2 HIS 3 HE2 HIS 3 5.651 1.959 -9.170 19 H MET 4 HN MET 4 10.722 4.586 -5.055 20 HA MET 4 HA MET 4 10.675 6.488 -2.939 21 HB2 MET 4 HB2 MET 4 12.980 5.133 -4.340 22 HB3 MET 4 HB1 MET 4 13.156 6.152 -2.919 23 HG2 MET 4 HG2 MET 4 11.574 3.597 -3.073 24 HG3 MET 4 HG1 MET 4 13.161 3.792 -2.334 25 HE1 MET 4 HE1 MET 4 12.349 6.148 0.699 26 HE2 MET 4 HE2 MET 4 12.867 6.633 -0.916 27 HE3 MET 4 HE3 MET 4 13.604 5.232 -0.138 28 H ASN 5 HN ASN 5 11.424 6.705 -6.330 29 HA ASN 5 HA ASN 5 12.947 9.059 -6.342 30 HB2 ASN 5 HB2 ASN 5 12.741 7.736 -8.350 31 HB3 ASN 5 HB1 ASN 5 10.998 7.974 -8.386 32 HD21 ASN 5 HD21 ASN 5 14.111 9.497 -8.862 33 HD22 ASN 5 HD22 ASN 5 13.525 10.831 -9.804 34 H ARG 6 HN ARG 6 9.463 8.556 -6.263 35 HA ARG 6 HA ARG 6 8.635 11.223 -6.607 36 HB2 ARG 6 HB2 ARG 6 7.242 9.220 -4.834 37 HB3 ARG 6 HB1 ARG 6 6.525 10.558 -5.718 38 HG2 ARG 6 HG2 ARG 6 6.925 9.424 -7.816 39 HG3 ARG 6 HG1 ARG 6 7.742 8.106 -6.968 40 HD2 ARG 6 HD2 ARG 6 4.841 8.898 -6.791 41 HD3 ARG 6 HD1 ARG 6 5.512 7.391 -7.415 42 HE ARG 6 HE ARG 6 6.313 7.693 -4.740 43 HH11 ARG 6 HH11 ARG 6 3.409 7.072 -6.612 44 HH12 ARG 6 HH12 ARG 6 2.603 6.249 -5.305 45 HH21 ARG 6 HH21 ARG 6 5.261 6.609 -3.036 46 HH22 ARG 6 HH22 ARG 6 3.662 5.954 -3.286 47 H PHE 7 HN PHE 7 9.491 9.349 -3.754 48 HA PHE 7 HA PHE 7 8.723 11.234 -1.819 49 HB2 PHE 7 HB2 PHE 7 9.174 8.826 -1.356 50 HB3 PHE 7 HB1 PHE 7 10.890 9.131 -1.600 51 HD1 PHE 7 HD2 PHE 7 8.000 10.205 0.483 52 HD2 PHE 7 HD1 PHE 7 12.221 9.743 0.195 53 HE1 PHE 7 HE2 PHE 7 8.224 10.810 2.857 54 HE2 PHE 7 HE1 PHE 7 12.453 10.346 2.569 55 HZ PHE 7 HZ PHE 7 10.453 10.882 3.902 56 H LEU 8 HN LEU 8 11.816 10.646 -3.449 57 HA LEU 8 HA LEU 8 13.293 12.569 -2.018 58 HB2 LEU 8 HB2 LEU 8 13.694 11.507 -4.812 59 HB3 LEU 8 HB1 LEU 8 14.864 12.481 -3.942 60 HG LEU 8 HG LEU 8 13.903 9.733 -3.141 61 HD11 LEU 8 HD11 LEU 8 15.384 9.728 -5.085 62 HD12 LEU 8 HD12 LEU 8 16.171 9.032 -3.668 63 HD13 LEU 8 HD13 LEU 8 16.570 10.672 -4.182 64 HD21 LEU 8 HD21 LEU 8 15.971 11.525 -1.870 65 HD22 LEU 8 HD22 LEU 8 15.613 9.862 -1.401 66 HD23 LEU 8 HD23 LEU 8 14.393 11.118 -1.194 67 H THR 9 HN THR 9 11.537 12.787 -5.109 68 HA THR 9 HA THR 9 12.070 15.494 -5.632 69 HB THR 9 HB THR 9 9.529 14.002 -6.330 70 HG1 THR 9 HG1 THR 9 11.940 14.194 -7.859 71 HG21 THR 9 HG21 THR 9 9.465 15.518 -8.255 72 HG22 THR 9 HG22 THR 9 10.916 16.329 -7.665 73 HG23 THR 9 HG23 THR 9 9.420 16.410 -6.734 74 H SER 10 HN SER 10 9.612 13.913 -3.658 75 HA SER 10 HA SER 10 8.098 16.228 -3.077 76 HB2 SER 10 HB2 SER 10 7.356 13.831 -2.765 77 HB3 SER 10 HB1 SER 10 8.375 13.776 -1.328 78 HG SER 10 HG SER 10 6.390 15.770 -1.687 79 H ILE 11 HN ILE 11 10.933 14.758 -1.572 80 HA ILE 11 HA ILE 11 11.051 16.447 0.694 81 HB ILE 11 HB ILE 11 13.318 15.100 -0.792 82 HG12 ILE 11 HG12 ILE 11 11.702 13.492 0.058 83 HG13 ILE 11 HG11 ILE 11 13.179 13.415 1.011 84 HG21 ILE 11 HG21 ILE 11 13.277 16.328 1.961 85 HG22 ILE 11 HG22 ILE 11 14.162 16.926 0.557 86 HG23 ILE 11 HG23 ILE 11 14.601 15.381 1.285 87 HD11 ILE 11 HD11 ILE 11 10.639 14.819 1.813 88 HD12 ILE 11 HD12 ILE 11 12.115 14.717 2.774 89 HD13 ILE 11 HD13 ILE 11 11.197 13.255 2.411 90 H VAL 12 HN VAL 12 12.524 16.657 -2.517 91 HA VAL 12 HA VAL 12 13.820 19.092 -2.333 92 HB VAL 12 HB VAL 12 12.311 17.956 -4.695 93 HG11 VAL 12 HG11 VAL 12 14.407 20.125 -4.631 94 HG12 VAL 12 HG12 VAL 12 12.696 20.343 -5.004 95 HG13 VAL 12 HG13 VAL 12 13.721 19.399 -6.084 96 HG21 VAL 12 HG21 VAL 12 14.087 16.509 -3.806 97 HG22 VAL 12 HG22 VAL 12 15.242 17.828 -4.004 98 HG23 VAL 12 HG23 VAL 12 14.464 17.116 -5.417 99 H ALA 13 HN ALA 13 10.439 18.495 -3.305 100 HA ALA 13 HA ALA 13 9.672 21.178 -3.584 101 HB1 ALA 13 HB1 ALA 13 7.957 18.834 -2.763 102 HB2 ALA 13 HB2 ALA 13 8.338 19.300 -4.421 103 HB3 ALA 13 HB3 ALA 13 7.379 20.374 -3.402 104 H TRP 14 HN TRP 14 9.547 19.016 -0.803 105 HA TRP 14 HA TRP 14 8.341 20.685 1.068 106 HB2 TRP 14 HB2 TRP 14 8.679 18.334 1.462 107 HB3 TRP 14 HB1 TRP 14 10.419 18.507 1.330 108 HD1 TRP 14 HD1 TRP 14 8.059 20.571 3.643 109 HE1 TRP 14 HE1 TRP 14 8.831 20.178 6.075 110 HE3 TRP 14 HE3 TRP 14 11.732 17.133 2.769 111 HZ2 TRP 14 HZ2 TRP 14 10.767 18.600 7.434 112 HZ3 TRP 14 HZ3 TRP 14 12.987 16.222 4.671 113 HH2 TRP 14 HH2 TRP 14 12.520 16.926 6.958 114 H LEU 15 HN LEU 15 11.796 20.266 0.329 115 HA LEU 15 HA LEU 15 12.745 22.103 2.239 116 HB2 LEU 15 HB2 LEU 15 14.039 21.265 -0.353 117 HB3 LEU 15 HB1 LEU 15 14.849 22.054 0.985 118 HG LEU 15 HG LEU 15 13.709 19.262 0.929 119 HD11 LEU 15 HD11 LEU 15 15.879 19.516 -0.127 120 HD12 LEU 15 HD12 LEU 15 16.024 18.625 1.387 121 HD13 LEU 15 HD13 LEU 15 16.506 20.320 1.313 122 HD21 LEU 15 HD21 LEU 15 14.486 19.057 3.245 123 HD22 LEU 15 HD22 LEU 15 13.214 20.269 3.094 124 HD23 LEU 15 HD23 LEU 15 14.896 20.772 3.261 125 H ARG 16 HN ARG 16 12.073 22.530 -1.246 126 HA ARG 16 HA ARG 16 12.906 25.252 -1.225 127 HB2 ARG 16 HB2 ARG 16 11.876 25.409 -3.460 128 HB3 ARG 16 HB1 ARG 16 12.963 24.040 -3.307 129 HG2 ARG 16 HG2 ARG 16 11.027 22.558 -3.014 130 HG3 ARG 16 HG1 ARG 16 9.956 23.944 -3.226 131 HD2 ARG 16 HD2 ARG 16 11.989 23.070 -5.271 132 HD3 ARG 16 HD1 ARG 16 10.307 22.543 -5.281 133 HE ARG 16 HE ARG 16 9.950 25.157 -5.281 134 HH11 ARG 16 HH11 ARG 16 12.343 23.328 -7.087 135 HH12 ARG 16 HH12 ARG 16 12.292 24.388 -8.465 136 HH21 ARG 16 HH21 ARG 16 9.905 26.551 -7.057 137 HH22 ARG 16 HH22 ARG 16 10.930 26.256 -8.433 138 H ALA 17 HN ALA 17 9.781 23.665 -0.776 139 HA ALA 17 HA ALA 17 8.245 26.048 -0.720 140 HB1 ALA 17 HB1 ALA 17 7.212 23.838 -0.939 141 HB2 ALA 17 HB2 ALA 17 6.545 24.727 0.431 142 HB3 ALA 17 HB3 ALA 17 7.717 23.436 0.703 143 H GLY 18 HN GLY 18 10.224 24.371 1.623 144 HA2 GLY 18 HA2 GLY 18 9.536 25.907 3.895 145 HA3 GLY 18 HA1 GLY 18 11.051 25.050 3.651 146 H TYR 19 HN TYR 19 11.610 26.591 1.155 147 HA TYR 19 HA TYR 19 12.088 29.266 2.235 148 HB2 TYR 19 HB2 TYR 19 14.265 27.373 1.337 149 HB3 TYR 19 HB1 TYR 19 14.498 29.116 1.426 150 HD1 TYR 19 HD2 TYR 19 14.268 30.257 3.646 151 HD2 TYR 19 HD1 TYR 19 14.418 26.023 3.280 152 HE1 TYR 19 HE2 TYR 19 14.836 30.081 6.028 153 HE2 TYR 19 HE1 TYR 19 14.982 25.828 5.668 154 HH TYR 19 HH TYR 19 16.128 27.451 7.438 155 HA PRO 20 HA PRO 20 10.860 29.076 -2.240 156 HB2 PRO 20 HB2 PRO 20 8.908 30.948 -2.119 157 HB3 PRO 20 HB1 PRO 20 8.629 29.252 -1.708 158 HG2 PRO 20 HG2 PRO 20 9.100 31.588 0.100 159 HG3 PRO 20 HG1 PRO 20 7.944 30.254 0.271 160 HD2 PRO 20 HD2 PRO 20 10.312 30.354 1.610 161 HD3 PRO 20 HD1 PRO 20 9.525 28.833 1.146 162 H GLU 21 HN GLU 21 12.044 31.465 -0.141 163 HA GLU 21 HA GLU 21 12.438 33.419 -2.284 164 HB2 GLU 21 HB2 GLU 21 13.088 33.661 0.660 165 HB3 GLU 21 HB1 GLU 21 13.088 34.961 -0.525 166 HG2 GLU 21 HG2 GLU 21 10.668 34.642 -0.839 167 HG3 GLU 21 HG1 GLU 21 10.692 33.400 0.411 168 H GLY 22 HN GLY 22 13.922 30.746 -1.262 169 HA2 GLY 22 HA2 GLY 22 16.104 30.272 -2.296 170 HA3 GLY 22 HA1 GLY 22 16.624 31.848 -1.713 171 H ILE 23 HN ILE 23 17.640 29.093 -1.195 172 HA ILE 23 HA ILE 23 17.092 28.761 1.647 173 HB ILE 23 HB ILE 23 18.879 27.071 -0.121 174 HG12 ILE 23 HG12 ILE 23 16.886 25.415 0.194 175 HG13 ILE 23 HG11 ILE 23 15.946 26.868 0.515 176 HG21 ILE 23 HG21 ILE 23 18.654 25.403 1.668 177 HG22 ILE 23 HG22 ILE 23 17.738 26.570 2.623 178 HG23 ILE 23 HG23 ILE 23 19.427 26.886 2.225 179 HD11 ILE 23 HD11 ILE 23 17.509 26.313 -2.000 180 HD12 ILE 23 HD12 ILE 23 16.517 27.737 -1.681 181 HD13 ILE 23 HD13 ILE 23 15.763 26.148 -1.811 182 HA PRO 24 HA PRO 24 20.704 31.318 2.379 183 HB2 PRO 24 HB2 PRO 24 20.145 30.746 5.207 184 HB3 PRO 24 HB1 PRO 24 20.160 32.294 4.360 185 HG2 PRO 24 HG2 PRO 24 17.870 31.165 5.217 186 HG3 PRO 24 HG1 PRO 24 17.950 32.128 3.730 187 HD2 PRO 24 HD2 PRO 24 17.903 29.151 4.058 188 HD3 PRO 24 HD1 PRO 24 17.064 30.166 2.868 189 HA PRO 25 HA PRO 25 23.977 28.478 2.822 190 HB2 PRO 25 HB2 PRO 25 25.315 30.461 4.576 191 HB3 PRO 25 HB1 PRO 25 25.871 29.735 3.064 192 HG2 PRO 25 HG2 PRO 25 25.027 32.266 3.147 193 HG3 PRO 25 HG1 PRO 25 24.681 31.224 1.755 194 HD2 PRO 25 HD2 PRO 25 22.887 32.076 3.982 195 HD3 PRO 25 HD1 PRO 25 22.520 31.842 2.262 196 H THR 26 HN THR 26 23.410 30.199 5.900 197 HA THR 26 HA THR 26 24.485 28.254 7.586 198 HB THR 26 HB THR 26 22.866 29.299 9.306 199 HG1 THR 26 HG1 THR 26 21.320 30.299 8.165 200 HG21 THR 26 HG21 THR 26 24.837 31.038 7.817 201 HG22 THR 26 HG22 THR 26 25.217 29.931 9.136 202 HG23 THR 26 HG23 THR 26 24.216 31.351 9.437 203 H ASP 27 HN ASP 27 21.108 28.826 6.668 204 HA ASP 27 HA ASP 27 19.990 26.823 8.268 205 HB2 ASP 27 HB2 ASP 27 18.876 27.981 5.705 206 HB3 ASP 27 HB1 ASP 27 17.957 27.153 6.958 207 H SER 28 HN SER 28 21.561 26.628 5.201 208 HA SER 28 HA SER 28 20.444 24.208 4.273 209 HB2 SER 28 HB2 SER 28 23.213 25.339 3.800 210 HB3 SER 28 HB1 SER 28 22.452 24.057 2.857 211 HG SER 28 HG SER 28 21.469 26.714 3.136 212 H PHE 29 HN PHE 29 23.030 24.944 6.529 213 HA PHE 29 HA PHE 29 23.959 22.250 6.798 214 HB2 PHE 29 HB2 PHE 29 24.295 24.687 8.561 215 HB3 PHE 29 HB1 PHE 29 25.061 23.139 8.887 216 HD1 PHE 29 HD2 PHE 29 24.693 25.424 5.947 217 HD2 PHE 29 HD1 PHE 29 27.282 23.034 8.325 218 HE1 PHE 29 HE2 PHE 29 26.596 26.099 4.545 219 HE2 PHE 29 HE1 PHE 29 29.189 23.707 6.930 220 HZ PHE 29 HZ PHE 29 28.848 25.243 5.037 221 H ALA 30 HN ALA 30 21.617 24.301 8.413 222 HA ALA 30 HA ALA 30 20.881 22.536 10.482 223 HB1 ALA 30 HB1 ALA 30 18.816 23.855 10.595 224 HB2 ALA 30 HB2 ALA 30 19.229 24.625 9.063 225 HB3 ALA 30 HB3 ALA 30 20.243 24.886 10.483 226 H VAL 31 HN VAL 31 19.615 23.005 7.194 227 HA VAL 31 HA VAL 31 17.663 21.024 7.163 228 HB VAL 31 HB VAL 31 19.525 21.848 4.919 229 HG11 VAL 31 HG11 VAL 31 16.964 20.258 4.795 230 HG12 VAL 31 HG12 VAL 31 18.585 19.659 4.444 231 HG13 VAL 31 HG13 VAL 31 17.851 20.878 3.403 232 HG21 VAL 31 HG21 VAL 31 17.624 23.188 4.147 233 HG22 VAL 31 HG22 VAL 31 18.156 23.679 5.755 234 HG23 VAL 31 HG23 VAL 31 16.704 22.696 5.569 235 H LEU 32 HN LEU 32 21.122 20.783 6.408 236 HA LEU 32 HA LEU 32 21.324 18.073 5.897 237 HB2 LEU 32 HB2 LEU 32 23.267 19.274 5.530 238 HB3 LEU 32 HB1 LEU 32 23.154 20.125 7.057 239 HG LEU 32 HG LEU 32 23.788 17.991 8.212 240 HD11 LEU 32 HD11 LEU 32 24.834 16.228 6.892 241 HD12 LEU 32 HD12 LEU 32 24.410 17.076 5.403 242 HD13 LEU 32 HD13 LEU 32 23.140 16.430 6.443 243 HD21 LEU 32 HD21 LEU 32 26.155 18.190 7.682 244 HD22 LEU 32 HD22 LEU 32 25.392 19.778 7.789 245 HD23 LEU 32 HD23 LEU 32 25.760 19.080 6.212 246 H ALA 33 HN ALA 33 21.517 19.719 9.044 247 HA ALA 33 HA ALA 33 22.104 17.466 10.587 248 HB1 ALA 33 HB1 ALA 33 22.359 19.768 11.387 249 HB2 ALA 33 HB2 ALA 33 21.413 18.784 12.506 250 HB3 ALA 33 HB3 ALA 33 20.605 19.936 11.444 251 H LEU 34 HN LEU 34 18.951 18.997 9.964 252 HA LEU 34 HA LEU 34 17.517 17.079 11.505 253 HB2 LEU 34 HB2 LEU 34 16.965 19.551 10.366 254 HB3 LEU 34 HB1 LEU 34 15.926 18.442 9.493 255 HG LEU 34 HG LEU 34 14.661 19.296 11.318 256 HD11 LEU 34 HD11 LEU 34 14.348 16.921 10.904 257 HD12 LEU 34 HD12 LEU 34 14.157 17.291 12.617 258 HD13 LEU 34 HD13 LEU 34 15.644 16.540 12.037 259 HD21 LEU 34 HD21 LEU 34 16.508 20.124 12.674 260 HD22 LEU 34 HD22 LEU 34 16.939 18.471 13.111 261 HD23 LEU 34 HD23 LEU 34 15.399 19.149 13.638 262 H LEU 35 HN LEU 35 18.016 17.498 8.003 263 HA LEU 35 HA LEU 35 16.167 15.470 7.279 264 HB2 LEU 35 HB2 LEU 35 16.944 17.341 5.800 265 HB3 LEU 35 HB1 LEU 35 18.470 16.504 5.632 266 HG LEU 35 HG LEU 35 17.401 14.658 4.497 267 HD11 LEU 35 HD11 LEU 35 14.817 16.146 4.943 268 HD12 LEU 35 HD12 LEU 35 15.293 14.644 5.733 269 HD13 LEU 35 HD13 LEU 35 15.014 14.674 3.991 270 HD21 LEU 35 HD21 LEU 35 18.048 16.566 3.133 271 HD22 LEU 35 HD22 LEU 35 16.478 17.318 3.414 272 HD23 LEU 35 HD23 LEU 35 16.584 15.816 2.497 273 H CYS 36 HN CYS 36 19.627 15.461 7.946 274 HA CYS 36 HA CYS 36 20.175 12.901 6.895 275 HB2 CYS 36 HB2 CYS 36 21.878 14.644 7.494 276 HB3 CYS 36 HB1 CYS 36 21.611 14.247 9.186 277 HG CYS 36 HG CYS 36 23.567 12.594 9.170 278 H ARG 37 HN ARG 37 18.399 13.819 9.638 279 HA ARG 37 HA ARG 37 18.962 11.538 11.266 280 HB2 ARG 37 HB2 ARG 37 16.607 13.431 11.356 281 HB3 ARG 37 HB1 ARG 37 17.021 12.255 12.596 282 HG2 ARG 37 HG2 ARG 37 19.223 13.437 12.838 283 HG3 ARG 37 HG1 ARG 37 18.572 14.697 11.788 284 HD2 ARG 37 HD2 ARG 37 18.293 15.339 14.102 285 HD3 ARG 37 HD1 ARG 37 16.715 15.021 13.379 286 HE ARG 37 HE ARG 37 16.594 12.990 14.608 287 HH11 ARG 37 HH11 ARG 37 19.325 15.014 15.451 288 HH12 ARG 37 HH12 ARG 37 19.651 14.179 16.939 289 HH21 ARG 37 HH21 ARG 37 17.015 11.889 16.571 290 HH22 ARG 37 HH22 ARG 37 18.335 12.412 17.575 291 H ARG 38 HN ARG 38 17.077 12.015 8.471 292 HA ARG 38 HA ARG 38 15.954 9.322 8.882 293 HB2 ARG 38 HB2 ARG 38 14.085 10.892 8.807 294 HB3 ARG 38 HB1 ARG 38 14.679 11.568 7.291 295 HG2 ARG 38 HG2 ARG 38 14.269 9.520 6.132 296 HG3 ARG 38 HG1 ARG 38 13.907 8.676 7.634 297 HD2 ARG 38 HD2 ARG 38 11.900 9.992 7.928 298 HD3 ARG 38 HD1 ARG 38 12.290 10.948 6.497 299 HE ARG 38 HE ARG 38 12.184 8.629 5.343 300 HH11 ARG 38 HH11 ARG 38 10.126 9.625 8.006 301 HH12 ARG 38 HH12 ARG 38 8.778 8.674 7.480 302 HH21 ARG 38 HH21 ARG 38 10.425 7.364 4.679 303 HH22 ARG 38 HH22 ARG 38 8.939 7.396 5.584 304 H LEU 39 HN LEU 39 17.099 11.667 6.497 305 HA LEU 39 HA LEU 39 17.703 9.440 4.677 306 HB2 LEU 39 HB2 LEU 39 17.313 12.384 4.131 307 HB3 LEU 39 HB1 LEU 39 17.780 11.205 2.923 308 HG LEU 39 HG LEU 39 15.185 11.144 4.454 309 HD11 LEU 39 HD11 LEU 39 15.743 12.002 1.620 310 HD12 LEU 39 HD12 LEU 39 15.290 13.063 2.955 311 HD13 LEU 39 HD13 LEU 39 14.151 11.854 2.363 312 HD21 LEU 39 HD21 LEU 39 16.149 9.527 2.102 313 HD22 LEU 39 HD22 LEU 39 14.532 9.460 2.805 314 HD23 LEU 39 HD23 LEU 39 15.927 8.937 3.749 315 H SER 40 HN SER 40 19.763 9.047 4.099 316 HA SER 40 HA SER 40 21.802 10.281 5.706 317 HB2 SER 40 HB2 SER 40 22.039 8.193 3.527 318 HB3 SER 40 HB1 SER 40 23.272 8.597 4.725 319 HG SER 40 HG SER 40 20.935 7.121 4.991 320 H HIS 41 HN HIS 41 24.016 10.635 4.439 321 HA HIS 41 HA HIS 41 23.653 13.061 3.093 322 HB2 HIS 41 HB2 HIS 41 26.083 12.990 2.598 323 HB3 HIS 41 HB1 HIS 41 25.693 12.713 4.288 324 HD1 HIS 41 HD1 HIS 41 26.964 10.904 1.220 325 HD2 HIS 41 HD2 HIS 41 26.545 10.312 5.317 326 HE1 HIS 41 HE1 HIS 41 28.305 8.846 1.749 327 HE2 HIS 41 HE2 HIS 41 28.173 8.611 4.257 328 H ASP 42 HN ASP 42 23.765 9.839 1.824 329 HA ASP 42 HA ASP 42 24.313 10.569 -0.869 330 HB2 ASP 42 HB2 ASP 42 23.082 8.159 0.423 331 HB3 ASP 42 HB1 ASP 42 23.027 8.346 -1.328 332 H GLU 43 HN GLU 43 21.260 9.792 0.781 333 HA GLU 43 HA GLU 43 19.534 10.475 -1.283 334 HB2 GLU 43 HB2 GLU 43 19.079 10.780 1.684 335 HB3 GLU 43 HB1 GLU 43 17.816 10.803 0.464 336 HG2 GLU 43 HG2 GLU 43 17.644 8.651 1.155 337 HG3 GLU 43 HG1 GLU 43 18.834 8.445 -0.131 338 H VAL 44 HN VAL 44 20.773 12.528 1.347 339 HA VAL 44 HA VAL 44 19.363 14.833 0.491 340 HB VAL 44 HB VAL 44 20.743 16.126 2.011 341 HG11 VAL 44 HG11 VAL 44 19.942 13.456 3.153 342 HG12 VAL 44 HG12 VAL 44 18.916 14.881 2.982 343 HG13 VAL 44 HG13 VAL 44 20.279 14.905 4.098 344 HG21 VAL 44 HG21 VAL 44 22.402 13.628 2.259 345 HG22 VAL 44 HG22 VAL 44 22.534 15.031 3.320 346 HG23 VAL 44 HG23 VAL 44 22.913 15.184 1.604 347 H LYS 45 HN LYS 45 22.546 13.528 -0.342 348 HA LYS 45 HA LYS 45 23.511 15.795 -1.704 349 HB2 LYS 45 HB2 LYS 45 24.887 13.781 -1.137 350 HB3 LYS 45 HB1 LYS 45 24.067 12.909 -2.425 351 HG2 LYS 45 HG2 LYS 45 24.987 14.336 -4.088 352 HG3 LYS 45 HG1 LYS 45 25.614 15.446 -2.871 353 HD2 LYS 45 HD2 LYS 45 27.502 14.247 -3.480 354 HD3 LYS 45 HD1 LYS 45 26.959 13.396 -2.039 355 HE2 LYS 45 HE2 LYS 45 26.291 12.552 -4.854 356 HE3 LYS 45 HE1 LYS 45 27.652 11.918 -3.936 357 HZ1 LYS 45 HZ1 LYS 45 25.958 11.227 -2.229 358 HZ2 LYS 45 HZ2 LYS 45 25.919 10.384 -3.697 359 HZ3 LYS 45 HZ3 LYS 45 24.760 11.582 -3.383 360 H ALA 46 HN ALA 46 21.655 12.994 -2.879 361 HA ALA 46 HA ALA 46 21.383 13.817 -5.545 362 HB1 ALA 46 HB1 ALA 46 20.752 11.584 -4.770 363 HB2 ALA 46 HB2 ALA 46 19.418 12.360 -5.623 364 HB3 ALA 46 HB3 ALA 46 19.407 12.274 -3.862 365 H VAL 47 HN VAL 47 19.237 14.378 -2.773 366 HA VAL 47 HA VAL 47 17.315 15.941 -4.027 367 HB VAL 47 HB VAL 47 18.275 15.861 -1.175 368 HG11 VAL 47 HG11 VAL 47 16.394 17.282 -0.543 369 HG12 VAL 47 HG12 VAL 47 15.984 17.517 -2.241 370 HG13 VAL 47 HG13 VAL 47 17.500 18.154 -1.605 371 HG21 VAL 47 HG21 VAL 47 15.700 15.058 -2.513 372 HG22 VAL 47 HG22 VAL 47 16.091 14.842 -0.807 373 HG23 VAL 47 HG23 VAL 47 16.997 13.961 -2.039 374 H ALA 48 HN ALA 48 20.216 17.074 -2.259 375 HA ALA 48 HA ALA 48 19.751 19.807 -2.752 376 HB1 ALA 48 HB1 ALA 48 22.394 18.447 -2.258 377 HB2 ALA 48 HB2 ALA 48 21.271 18.986 -1.009 378 HB3 ALA 48 HB3 ALA 48 22.046 20.166 -2.066 379 H ASN 49 HN ASN 49 21.399 17.326 -4.600 380 HA ASN 49 HA ASN 49 22.706 18.963 -6.468 381 HB2 ASN 49 HB2 ASN 49 23.190 16.568 -6.230 382 HB3 ASN 49 HB1 ASN 49 21.580 16.174 -6.823 383 HD21 ASN 49 HD21 ASN 49 22.308 15.010 -8.563 384 HD22 ASN 49 HD22 ASN 49 23.100 15.744 -9.918 385 H GLU 50 HN GLU 50 19.521 17.326 -6.685 386 HA GLU 50 HA GLU 50 18.932 18.665 -9.159 387 HB2 GLU 50 HB2 GLU 50 16.705 17.653 -8.964 388 HB3 GLU 50 HB1 GLU 50 17.983 16.472 -8.731 389 HG2 GLU 50 HG2 GLU 50 17.643 16.646 -6.291 390 HG3 GLU 50 HG1 GLU 50 16.301 17.748 -6.590 391 H LEU 51 HN LEU 51 18.220 19.225 -5.780 392 HA LEU 51 HA LEU 51 16.234 21.169 -6.041 393 HB2 LEU 51 HB2 LEU 51 16.823 20.114 -3.909 394 HB3 LEU 51 HB1 LEU 51 18.388 20.909 -3.941 395 HG LEU 51 HG LEU 51 17.317 23.096 -3.687 396 HD11 LEU 51 HD11 LEU 51 14.737 21.544 -3.541 397 HD12 LEU 51 HD12 LEU 51 15.221 22.628 -4.845 398 HD13 LEU 51 HD13 LEU 51 14.928 23.268 -3.227 399 HD21 LEU 51 HD21 LEU 51 16.390 21.064 -1.662 400 HD22 LEU 51 HD22 LEU 51 16.501 22.805 -1.398 401 HD23 LEU 51 HD23 LEU 51 17.963 21.861 -1.692 402 H MET 52 HN MET 52 19.776 21.534 -5.932 403 HA MET 52 HA MET 52 19.791 24.349 -6.243 404 HB2 MET 52 HB2 MET 52 21.843 22.211 -6.740 405 HB3 MET 52 HB1 MET 52 22.160 23.875 -7.199 406 HG2 MET 52 HG2 MET 52 21.808 24.556 -4.844 407 HG3 MET 52 HG1 MET 52 21.596 22.850 -4.426 408 HE1 MET 52 HE1 MET 52 25.189 24.034 -3.093 409 HE2 MET 52 HE2 MET 52 23.578 23.516 -2.593 410 HE3 MET 52 HE3 MET 52 23.805 25.101 -3.335 411 H ARG 53 HN ARG 53 20.164 21.710 -8.599 412 HA ARG 53 HA ARG 53 20.734 23.407 -10.784 413 HB2 ARG 53 HB2 ARG 53 19.792 20.546 -10.684 414 HB3 ARG 53 HB1 ARG 53 20.256 21.363 -12.168 415 HG2 ARG 53 HG2 ARG 53 22.105 21.110 -9.815 416 HG3 ARG 53 HG1 ARG 53 21.997 19.888 -11.080 417 HD2 ARG 53 HD2 ARG 53 23.839 21.354 -11.563 418 HD3 ARG 53 HD1 ARG 53 22.567 21.624 -12.750 419 HE ARG 53 HE ARG 53 22.025 23.540 -10.983 420 HH11 ARG 53 HH11 ARG 53 25.090 22.557 -12.373 421 HH12 ARG 53 HH12 ARG 53 25.773 24.153 -12.308 422 HH21 ARG 53 HH21 ARG 53 22.911 25.628 -10.895 423 HH22 ARG 53 HH22 ARG 53 24.538 25.896 -11.455 424 H LEU 54 HN LEU 54 17.710 21.736 -9.875 425 HA LEU 54 HA LEU 54 16.295 22.590 -12.175 426 HB2 LEU 54 HB2 LEU 54 15.251 21.670 -9.498 427 HB3 LEU 54 HB1 LEU 54 14.269 21.884 -10.933 428 HG LEU 54 HG LEU 54 16.514 19.891 -10.615 429 HD11 LEU 54 HD11 LEU 54 14.738 18.220 -10.697 430 HD12 LEU 54 HD12 LEU 54 13.528 19.503 -10.756 431 HD13 LEU 54 HD13 LEU 54 14.536 19.306 -9.322 432 HD21 LEU 54 HD21 LEU 54 15.788 19.034 -12.784 433 HD22 LEU 54 HD22 LEU 54 16.340 20.704 -12.909 434 HD23 LEU 54 HD23 LEU 54 14.614 20.342 -12.914 435 H GLY 55 HN GLY 55 16.794 24.015 -9.022 436 HA2 GLY 55 HA2 GLY 55 15.152 26.314 -9.887 437 HA3 GLY 55 HA1 GLY 55 15.316 25.825 -8.204 438 H ASP 56 HN ASP 56 16.434 27.358 -7.198 439 HA ASP 56 HA ASP 56 19.106 27.959 -8.221 440 HB2 ASP 56 HB2 ASP 56 17.088 29.820 -8.444 441 HB3 ASP 56 HB1 ASP 56 17.830 30.255 -6.906 442 H PHE 57 HN PHE 57 20.442 29.004 -6.430 443 HA PHE 57 HA PHE 57 19.651 28.334 -3.738 444 HB2 PHE 57 HB2 PHE 57 20.582 26.244 -5.250 445 HB3 PHE 57 HB1 PHE 57 22.070 26.835 -4.524 446 HD1 PHE 57 HD1 PHE 57 22.264 26.903 -2.055 447 HD2 PHE 57 HD2 PHE 57 19.018 24.998 -4.009 448 HE1 PHE 57 HE1 PHE 57 21.774 25.656 0.007 449 HE2 PHE 57 HE2 PHE 57 18.511 23.743 -1.958 450 HZ PHE 57 HZ PHE 57 19.890 24.070 0.057 451 H ASP 58 HN ASP 58 21.764 28.529 -2.290 452 HA ASP 58 HA ASP 58 23.190 30.907 -3.156 453 HB2 ASP 58 HB2 ASP 58 22.388 30.718 -0.800 454 HB3 ASP 58 HB1 ASP 58 23.464 29.341 -0.573 455 H GLN 59 HN GLN 59 25.551 30.983 -3.173 456 HA GLN 59 HA GLN 59 26.605 28.672 -4.508 457 HB2 GLN 59 HB2 GLN 59 27.832 31.333 -3.800 458 HB3 GLN 59 HB1 GLN 59 28.747 30.044 -4.565 459 HG2 GLN 59 HG2 GLN 59 28.076 31.501 -6.285 460 HG3 GLN 59 HG1 GLN 59 27.051 30.075 -6.413 461 HE21 GLN 59 HE21 GLN 59 27.191 33.431 -5.536 462 HE22 GLN 59 HE22 GLN 59 25.487 33.717 -5.546 463 H ILE 60 HN ILE 60 26.327 27.227 -2.705 464 HA ILE 60 HA ILE 60 28.737 27.217 -1.026 465 HB ILE 60 HB ILE 60 27.359 26.036 0.740 466 HG12 ILE 60 HG12 ILE 60 25.068 27.242 -0.828 467 HG13 ILE 60 HG11 ILE 60 25.412 25.522 -0.674 468 HG21 ILE 60 HG21 ILE 60 26.755 28.931 0.157 469 HG22 ILE 60 HG22 ILE 60 28.138 28.302 1.053 470 HG23 ILE 60 HG23 ILE 60 26.510 28.131 1.710 471 HD11 ILE 60 HD11 ILE 60 23.609 26.185 0.798 472 HD12 ILE 60 HD12 ILE 60 24.654 27.382 1.564 473 HD13 ILE 60 HD13 ILE 60 25.012 25.663 1.729 474 H ASP 61 HN ASP 61 29.609 25.181 -0.607 475 HA ASP 61 HA ASP 61 28.807 23.154 -2.529 476 HB2 ASP 61 HB2 ASP 61 30.961 22.031 -1.788 477 HB3 ASP 61 HB1 ASP 61 31.133 23.571 -2.615 478 H ILE 62 HN ILE 62 26.953 22.387 -1.604 479 HA ILE 62 HA ILE 62 26.783 21.493 1.091 480 HB ILE 62 HB ILE 62 25.029 20.877 -1.294 481 HG12 ILE 62 HG12 ILE 62 24.729 22.809 1.013 482 HG13 ILE 62 HG11 ILE 62 25.043 23.234 -0.665 483 HG21 ILE 62 HG21 ILE 62 23.360 20.096 0.314 484 HG22 ILE 62 HG22 ILE 62 24.514 20.328 1.627 485 HG23 ILE 62 HG23 ILE 62 24.825 19.116 0.385 486 HD11 ILE 62 HD11 ILE 62 22.550 21.922 0.388 487 HD12 ILE 62 HD12 ILE 62 22.863 22.338 -1.297 488 HD13 ILE 62 HD13 ILE 62 22.721 23.612 -0.087 489 H GLY 63 HN GLY 63 27.652 20.017 -1.959 490 HA2 GLY 63 HA2 GLY 63 27.517 17.311 -1.301 491 HA3 GLY 63 HA1 GLY 63 28.666 18.013 -2.433 492 H VAL 64 HN VAL 64 29.939 19.708 -0.479 493 HA VAL 64 HA VAL 64 31.718 17.771 0.706 494 HB VAL 64 HB VAL 64 31.755 20.794 0.860 495 HG11 VAL 64 HG11 VAL 64 34.090 20.533 1.557 496 HG12 VAL 64 HG12 VAL 64 33.888 18.780 1.568 497 HG13 VAL 64 HG13 VAL 64 32.979 19.779 2.703 498 HG21 VAL 64 HG21 VAL 64 33.518 20.653 -0.839 499 HG22 VAL 64 HG22 VAL 64 31.992 19.993 -1.426 500 HG23 VAL 64 HG23 VAL 64 33.289 18.907 -0.927 501 H VAL 65 HN VAL 65 29.400 20.200 1.810 502 HA VAL 65 HA VAL 65 29.908 20.082 4.551 503 HB VAL 65 HB VAL 65 27.338 20.709 3.091 504 HG11 VAL 65 HG11 VAL 65 26.783 20.060 5.356 505 HG12 VAL 65 HG12 VAL 65 26.614 21.809 5.177 506 HG13 VAL 65 HG13 VAL 65 28.025 21.137 5.997 507 HG21 VAL 65 HG21 VAL 65 29.427 22.491 4.333 508 HG22 VAL 65 HG22 VAL 65 27.939 23.030 3.555 509 HG23 VAL 65 HG23 VAL 65 29.188 22.221 2.606 510 H ILE 66 HN ILE 66 27.653 18.148 2.596 511 HA ILE 66 HA ILE 66 26.530 16.863 4.903 512 HB ILE 66 HB ILE 66 25.329 15.443 3.285 513 HG12 ILE 66 HG12 ILE 66 26.977 16.971 1.258 514 HG13 ILE 66 HG11 ILE 66 27.019 15.236 1.556 515 HG21 ILE 66 HG21 ILE 66 24.013 17.244 2.259 516 HG22 ILE 66 HG22 ILE 66 25.287 18.395 2.667 517 HG23 ILE 66 HG23 ILE 66 24.391 17.579 3.949 518 HD11 ILE 66 HD11 ILE 66 24.694 16.784 0.443 519 HD12 ILE 66 HD12 ILE 66 24.729 15.047 0.746 520 HD13 ILE 66 HD13 ILE 66 25.796 15.752 -0.466 521 H THR 67 HN THR 67 29.284 16.252 2.951 522 HA THR 67 HA THR 67 29.387 13.468 3.884 523 HB THR 67 HB THR 67 31.219 13.175 2.222 524 HG1 THR 67 HG1 THR 67 30.457 15.658 1.086 525 HG21 THR 67 HG21 THR 67 28.637 14.259 1.086 526 HG22 THR 67 HG22 THR 67 28.906 12.607 1.642 527 HG23 THR 67 HG23 THR 67 29.782 13.218 0.239 528 H HIS 68 HN HIS 68 30.400 16.468 4.695 529 HA HIS 68 HA HIS 68 32.431 15.447 6.490 530 HB2 HIS 68 HB2 HIS 68 33.772 16.073 4.552 531 HB3 HIS 68 HB1 HIS 68 32.988 17.644 4.476 532 HD1 HIS 68 HD1 HIS 68 33.633 19.368 6.355 533 HD2 HIS 68 HD2 HIS 68 35.910 15.895 6.304 534 HE1 HIS 68 HE1 HIS 68 35.671 19.881 7.735 535 HE2 HIS 68 HE2 HIS 68 37.011 17.750 7.741 536 H PHE 69 HN PHE 69 30.966 15.922 8.105 537 HA PHE 69 HA PHE 69 29.506 18.289 8.383 538 HB2 PHE 69 HB2 PHE 69 30.434 16.219 10.355 539 HB3 PHE 69 HB1 PHE 69 29.558 17.647 10.891 540 HD1 PHE 69 HD1 PHE 69 29.333 14.606 8.806 541 HD2 PHE 69 HD2 PHE 69 27.228 17.832 10.618 542 HE1 PHE 69 HE1 PHE 69 27.198 13.490 8.305 543 HE2 PHE 69 HE2 PHE 69 25.091 16.725 10.120 544 HZ PHE 69 HZ PHE 69 25.072 14.549 8.962 545 H THR 70 HN THR 70 29.974 20.258 9.037 546 HA THR 70 HA THR 70 32.606 21.150 9.498 547 HB THR 70 HB THR 70 30.109 22.614 10.354 548 HG1 THR 70 HG1 THR 70 31.193 22.564 7.714 549 HG21 THR 70 HG21 THR 70 32.726 23.557 9.174 550 HG22 THR 70 HG22 THR 70 32.261 23.675 10.871 551 HG23 THR 70 HG23 THR 70 31.375 24.587 9.648 552 H ASP 71 HN ASP 71 33.502 22.021 11.482 553 HA ASP 71 HA ASP 71 32.813 20.386 13.763 554 HB2 ASP 71 HB2 ASP 71 35.179 21.002 13.005 555 HB3 ASP 71 HB1 ASP 71 34.873 22.587 13.707 556 H GLU 72 HN GLU 72 32.639 23.765 12.828 557 HA GLU 72 HA GLU 72 31.488 24.545 15.383 558 HB2 GLU 72 HB2 GLU 72 32.105 26.118 12.879 559 HB3 GLU 72 HB1 GLU 72 31.467 26.818 14.362 560 HG2 GLU 72 HG2 GLU 72 33.436 26.396 15.547 561 HG3 GLU 72 HG1 GLU 72 34.020 25.253 14.339 562 H LEU 73 HN LEU 73 30.418 23.756 12.173 563 HA LEU 73 HA LEU 73 27.706 24.703 12.826 564 HB2 LEU 73 HB2 LEU 73 29.070 24.228 10.180 565 HB3 LEU 73 HB1 LEU 73 27.330 24.373 10.310 566 HG LEU 73 HG LEU 73 28.139 26.478 9.609 567 HD11 LEU 73 HD11 LEU 73 27.590 26.608 12.564 568 HD12 LEU 73 HD12 LEU 73 26.391 26.598 11.271 569 HD13 LEU 73 HD13 LEU 73 27.496 27.963 11.438 570 HD21 LEU 73 HD21 LEU 73 30.485 26.201 10.196 571 HD22 LEU 73 HD22 LEU 73 30.092 26.405 11.904 572 HD23 LEU 73 HD23 LEU 73 29.861 27.743 10.780 573 HA PRO 74 HA PRO 74 25.809 24.387 11.656 574 HB2 PRO 74 HB2 PRO 74 23.368 23.335 12.012 575 HB3 PRO 74 HB1 PRO 74 24.300 23.037 10.540 576 HG2 PRO 74 HG2 PRO 74 23.788 21.243 12.851 577 HG3 PRO 74 HG1 PRO 74 24.006 20.838 11.137 578 HD2 PRO 74 HD2 PRO 74 25.948 20.658 13.180 579 HD3 PRO 74 HD1 PRO 74 26.227 20.516 11.433 580 H SER 75 HN SER 75 24.069 25.524 12.973 581 HA SER 75 HA SER 75 24.863 25.383 15.784 582 HB2 SER 75 HB2 SER 75 23.296 27.531 14.332 583 HB3 SER 75 HB1 SER 75 23.986 27.648 15.952 584 HG SER 75 HG SER 75 25.176 28.482 13.909 585 HA PRO 76 HA PRO 76 21.159 23.429 17.162 586 HB2 PRO 76 HB2 PRO 76 21.269 25.322 19.451 587 HB3 PRO 76 HB1 PRO 76 21.213 23.555 19.450 588 HG2 PRO 76 HG2 PRO 76 23.479 24.832 20.009 589 HG3 PRO 76 HG1 PRO 76 23.489 23.353 19.029 590 HD2 PRO 76 HD2 PRO 76 23.748 26.206 18.162 591 HD3 PRO 76 HD1 PRO 76 24.603 24.766 17.570 592 H GLU 77 HN GLU 77 21.237 26.967 17.559 593 HA GLU 77 HA GLU 77 18.435 27.343 17.667 594 HB2 GLU 77 HB2 GLU 77 20.490 29.303 16.618 595 HB3 GLU 77 HB1 GLU 77 18.893 29.687 17.235 596 HG2 GLU 77 HG2 GLU 77 20.379 30.288 18.933 597 HG3 GLU 77 HG1 GLU 77 19.677 28.759 19.455 598 H ASP 78 HN ASP 78 20.784 27.469 15.079 599 HA ASP 78 HA ASP 78 19.140 28.156 12.932 600 HB2 ASP 78 HB2 ASP 78 21.606 28.178 12.903 601 HB3 ASP 78 HB1 ASP 78 21.627 26.425 12.995 602 H VAL 79 HN VAL 79 20.085 24.988 14.197 603 HA VAL 79 HA VAL 79 18.732 23.385 12.353 604 HB VAL 79 HB VAL 79 19.430 22.826 15.238 605 HG11 VAL 79 HG11 VAL 79 18.556 20.892 13.093 606 HG12 VAL 79 HG12 VAL 79 17.632 21.341 14.526 607 HG13 VAL 79 HG13 VAL 79 19.147 20.454 14.696 608 HG21 VAL 79 HG21 VAL 79 20.788 22.074 12.652 609 HG22 VAL 79 HG22 VAL 79 21.288 21.547 14.260 610 HG23 VAL 79 HG23 VAL 79 21.359 23.256 13.829 611 H GLU 80 HN GLU 80 17.604 24.597 15.535 612 HA GLU 80 HA GLU 80 15.110 23.245 15.311 613 HB2 GLU 80 HB2 GLU 80 16.154 24.006 17.476 614 HB3 GLU 80 HB1 GLU 80 15.654 25.642 17.059 615 HG2 GLU 80 HG2 GLU 80 13.334 24.966 17.033 616 HG3 GLU 80 HG1 GLU 80 13.793 23.294 17.337 617 H ARG 81 HN ARG 81 16.261 26.365 14.255 618 HA ARG 81 HA ARG 81 13.713 27.483 13.725 619 HB2 ARG 81 HB2 ARG 81 15.491 29.027 13.796 620 HB3 ARG 81 HB1 ARG 81 16.463 28.093 12.663 621 HG2 ARG 81 HG2 ARG 81 15.436 28.966 10.854 622 HG3 ARG 81 HG1 ARG 81 13.864 29.047 11.647 623 HD2 ARG 81 HD2 ARG 81 14.802 31.266 11.112 624 HD3 ARG 81 HD1 ARG 81 14.511 31.033 12.833 625 HE ARG 81 HE ARG 81 17.214 30.522 11.835 626 HH11 ARG 81 HH11 ARG 81 14.964 32.646 13.484 627 HH12 ARG 81 HH12 ARG 81 16.206 33.589 14.254 628 HH21 ARG 81 HH21 ARG 81 18.862 31.762 12.846 629 HH22 ARG 81 HH22 ARG 81 18.430 33.076 13.901 630 H VAL 82 HN VAL 82 16.033 25.731 11.642 631 HA VAL 82 HA VAL 82 14.363 25.764 9.363 632 HB VAL 82 HB VAL 82 16.884 25.066 9.591 633 HG11 VAL 82 HG11 VAL 82 17.244 22.652 9.482 634 HG12 VAL 82 HG12 VAL 82 15.531 22.382 9.810 635 HG13 VAL 82 HG13 VAL 82 16.555 23.140 11.030 636 HG21 VAL 82 HG21 VAL 82 15.700 25.329 7.491 637 HG22 VAL 82 HG22 VAL 82 15.009 23.716 7.662 638 HG23 VAL 82 HG23 VAL 82 16.749 23.912 7.444 639 H ARG 83 HN ARG 83 14.577 23.632 12.141 640 HA ARG 83 HA ARG 83 12.863 21.584 11.330 641 HB2 ARG 83 HB2 ARG 83 14.178 21.426 13.363 642 HB3 ARG 83 HB1 ARG 83 13.325 22.791 14.069 643 HG2 ARG 83 HG2 ARG 83 11.262 21.467 14.102 644 HG3 ARG 83 HG1 ARG 83 12.147 20.096 13.429 645 HD2 ARG 83 HD2 ARG 83 13.588 20.033 15.381 646 HD3 ARG 83 HD1 ARG 83 12.793 21.460 16.043 647 HE ARG 83 HE ARG 83 10.766 19.659 15.682 648 HH11 ARG 83 HH11 ARG 83 13.803 19.640 17.459 649 HH12 ARG 83 HH12 ARG 83 13.224 18.526 18.664 650 HH21 ARG 83 HH21 ARG 83 10.017 18.225 17.267 651 HH22 ARG 83 HH22 ARG 83 11.063 17.726 18.561 652 H ALA 84 HN ALA 84 12.090 24.597 13.070 653 HA ALA 84 HA ALA 84 9.304 24.174 13.171 654 HB1 ALA 84 HB1 ALA 84 10.806 26.791 13.234 655 HB2 ALA 84 HB2 ALA 84 10.466 25.765 14.628 656 HB3 ALA 84 HB3 ALA 84 9.141 26.534 13.755 657 H ARG 85 HN ARG 85 11.313 26.028 10.898 658 HA ARG 85 HA ARG 85 9.221 27.096 9.373 659 HB2 ARG 85 HB2 ARG 85 12.104 26.525 8.750 660 HB3 ARG 85 HB1 ARG 85 11.026 27.205 7.539 661 HG2 ARG 85 HG2 ARG 85 10.608 29.130 8.950 662 HG3 ARG 85 HG1 ARG 85 11.613 28.435 10.225 663 HD2 ARG 85 HD2 ARG 85 13.574 28.634 8.913 664 HD3 ARG 85 HD1 ARG 85 12.647 28.989 7.456 665 HE ARG 85 HE ARG 85 11.988 31.026 9.117 666 HH11 ARG 85 HH11 ARG 85 15.077 29.685 8.126 667 HH12 ARG 85 HH12 ARG 85 15.893 31.219 8.164 668 HH21 ARG 85 HH21 ARG 85 13.053 33.036 9.143 669 HH22 ARG 85 HH22 ARG 85 14.733 33.134 8.705 670 H LEU 86 HN LEU 86 11.079 24.101 8.901 671 HA LEU 86 HA LEU 86 9.763 23.467 6.449 672 HB2 LEU 86 HB2 LEU 86 11.683 22.080 8.248 673 HB3 LEU 86 HB1 LEU 86 10.788 21.111 7.096 674 HG LEU 86 HG LEU 86 13.029 21.771 6.284 675 HD11 LEU 86 HD11 LEU 86 10.719 22.938 4.738 676 HD12 LEU 86 HD12 LEU 86 11.264 21.261 4.692 677 HD13 LEU 86 HD13 LEU 86 12.305 22.545 4.075 678 HD21 LEU 86 HD21 LEU 86 13.160 23.970 7.358 679 HD22 LEU 86 HD22 LEU 86 11.903 24.567 6.275 680 HD23 LEU 86 HD23 LEU 86 13.463 24.068 5.623 681 H ALA 87 HN ALA 87 9.171 22.725 9.809 682 HA ALA 87 HA ALA 87 7.430 20.544 9.485 683 HB1 ALA 87 HB1 ALA 87 8.414 21.162 11.635 684 HB2 ALA 87 HB2 ALA 87 6.659 21.037 11.742 685 HB3 ALA 87 HB3 ALA 87 7.429 22.623 11.669 686 H ALA 88 HN ALA 88 6.958 23.933 8.985 687 HA ALA 88 HA ALA 88 4.142 24.021 9.279 688 HB1 ALA 88 HB1 ALA 88 5.538 26.025 9.348 689 HB2 ALA 88 HB2 ALA 88 4.276 26.161 8.124 690 HB3 ALA 88 HB3 ALA 88 5.935 25.809 7.643 691 H GLN 89 HN GLN 89 6.213 22.921 6.738 692 HA GLN 89 HA GLN 89 4.058 22.901 4.769 693 HB2 GLN 89 HB2 GLN 89 6.956 22.068 4.655 694 HB3 GLN 89 HB1 GLN 89 5.835 21.738 3.347 695 HG2 GLN 89 HG2 GLN 89 7.181 23.703 2.889 696 HG3 GLN 89 HG1 GLN 89 5.475 24.123 3.029 697 HE21 GLN 89 HE21 GLN 89 8.588 24.244 4.603 698 HE22 GLN 89 HE22 GLN 89 8.201 25.519 5.707 699 H GLY 90 HN GLY 90 5.136 21.038 7.281 700 HA2 GLY 90 HA2 GLY 90 3.780 18.977 7.674 701 HA3 GLY 90 HA1 GLY 90 4.242 18.518 6.037 702 H TRP 91 HN TRP 91 4.889 16.697 7.830 703 HA TRP 91 HA TRP 91 7.785 17.058 8.103 704 HB2 TRP 91 HB2 TRP 91 6.457 17.488 10.295 705 HB3 TRP 91 HB1 TRP 91 6.234 15.742 10.315 706 HD1 TRP 91 HD1 TRP 91 8.119 14.378 11.428 707 HE1 TRP 91 HE1 TRP 91 10.502 14.900 12.248 708 HE3 TRP 91 HE3 TRP 91 8.599 19.127 9.581 709 HZ2 TRP 91 HZ2 TRP 91 12.342 17.035 12.120 710 HZ3 TRP 91 HZ3 TRP 91 10.706 20.336 9.972 711 HH2 TRP 91 HH2 TRP 91 12.538 19.312 11.214 712 HA PRO 92 HA PRO 92 6.711 13.035 6.135 713 HB2 PRO 92 HB2 PRO 92 8.584 13.154 4.195 714 HB3 PRO 92 HB1 PRO 92 7.027 13.980 4.054 715 HG2 PRO 92 HG2 PRO 92 9.696 15.089 4.829 716 HG3 PRO 92 HG1 PRO 92 8.466 15.779 3.752 717 HD2 PRO 92 HD2 PRO 92 8.791 16.556 6.342 718 HD3 PRO 92 HD1 PRO 92 7.232 16.615 5.497 719 H LEU 93 HN LEU 93 9.044 14.115 8.114 720 HA LEU 93 HA LEU 93 10.942 11.956 7.747 721 HB2 LEU 93 HB2 LEU 93 10.737 14.026 9.939 722 HB3 LEU 93 HB1 LEU 93 12.054 12.886 9.739 723 HG LEU 93 HG LEU 93 11.330 15.149 7.881 724 HD11 LEU 93 HD11 LEU 93 13.531 16.005 8.483 725 HD12 LEU 93 HD12 LEU 93 13.767 14.642 9.578 726 HD13 LEU 93 HD13 LEU 93 12.503 15.829 9.906 727 HD21 LEU 93 HD21 LEU 93 13.275 14.477 6.564 728 HD22 LEU 93 HD22 LEU 93 12.046 13.213 6.589 729 HD23 LEU 93 HD23 LEU 93 13.486 13.061 7.595 730 H ASP 94 HN ASP 94 7.957 12.363 9.183 731 HA ASP 94 HA ASP 94 8.244 9.831 10.579 732 HB2 ASP 94 HB2 ASP 94 8.512 11.677 12.272 733 HB3 ASP 94 HB1 ASP 94 6.892 12.226 11.855 734 H ASP 95 HN ASP 95 5.902 9.177 11.287 735 HA ASP 95 HA ASP 95 4.131 9.740 8.996 736 HB2 ASP 95 HB2 ASP 95 4.676 7.106 10.377 737 HB3 ASP 95 HB1 ASP 95 3.346 7.356 9.255 738 H VAL 96 HN VAL 96 1.861 9.535 9.393 739 HA VAL 96 HA VAL 96 1.140 10.020 12.191 740 HB VAL 96 HB VAL 96 -0.581 10.277 9.717 741 HG11 VAL 96 HG11 VAL 96 -1.071 11.160 12.561 742 HG12 VAL 96 HG12 VAL 96 -1.851 9.798 11.755 743 HG13 VAL 96 HG13 VAL 96 -2.140 11.446 11.188 744 HG21 VAL 96 HG21 VAL 96 0.796 12.400 11.361 745 HG22 VAL 96 HG22 VAL 96 -0.318 12.693 10.025 746 HG23 VAL 96 HG23 VAL 96 1.232 11.908 9.726 747 H ARG 97 HN ARG 97 0.306 8.469 13.386 748 HA ARG 97 HA ARG 97 -0.584 6.016 12.034 749 HB2 ARG 97 HB2 ARG 97 0.645 6.299 14.786 750 HB3 ARG 97 HB1 ARG 97 0.255 4.793 13.962 751 HG2 ARG 97 HG2 ARG 97 1.948 5.135 12.337 752 HG3 ARG 97 HG1 ARG 97 2.204 6.800 12.860 753 HD2 ARG 97 HD2 ARG 97 2.940 5.884 15.077 754 HD3 ARG 97 HD1 ARG 97 2.885 4.277 14.353 755 HE ARG 97 HE ARG 97 4.537 5.236 12.688 756 HH11 ARG 97 HH11 ARG 97 4.311 6.350 15.994 757 HH12 ARG 97 HH12 ARG 97 5.957 6.900 16.069 758 HH21 ARG 97 HH21 ARG 97 6.717 5.952 12.768 759 HH22 ARG 97 HH22 ARG 97 7.329 6.664 14.226 760 H ASP 98 HN ASP 98 -1.528 4.855 14.499 761 HA ASP 98 HA ASP 98 -3.375 4.659 15.801 762 HB2 ASP 98 HB2 ASP 98 -3.362 7.615 15.442 763 HB3 ASP 98 HB1 ASP 98 -4.856 6.868 15.996 764 H ARG 99 HN ARG 99 -3.254 4.855 12.708 765 HA ARG 99 HA ARG 99 -6.109 4.264 12.382 766 HB2 ARG 99 HB2 ARG 99 -4.402 6.073 10.712 767 HB3 ARG 99 HB1 ARG 99 -5.678 5.145 9.935 768 HG2 ARG 99 HG2 ARG 99 -7.332 6.155 11.407 769 HG3 ARG 99 HG1 ARG 99 -6.059 7.059 12.230 770 HD2 ARG 99 HD2 ARG 99 -6.581 7.292 9.277 771 HD3 ARG 99 HD1 ARG 99 -7.383 8.313 10.471 772 HE ARG 99 HE ARG 99 -4.946 8.849 11.154 773 HH11 ARG 99 HH11 ARG 99 -6.092 8.316 7.876 774 HH12 ARG 99 HH12 ARG 99 -4.870 9.324 7.158 775 HH21 ARG 99 HH21 ARG 99 -3.380 10.197 10.202 776 HH22 ARG 99 HH22 ARG 99 -3.362 10.428 8.480 777 H GLU 100 HN GLU 100 -4.329 2.410 13.027 778 HA GLU 100 HA GLU 100 -3.008 1.150 10.853 779 HB2 GLU 100 HB2 GLU 100 -3.895 -0.299 13.334 780 HB3 GLU 100 HB1 GLU 100 -2.436 -0.535 12.383 781 HG2 GLU 100 HG2 GLU 100 -3.026 1.799 14.195 782 HG3 GLU 100 HG1 GLU 100 -1.920 0.469 14.525 783 H GLU 101 HN GLU 101 -4.096 0.322 9.184 784 HA GLU 101 HA GLU 101 -6.892 -0.409 9.595 785 HB2 GLU 101 HB2 GLU 101 -5.319 0.274 7.118 786 HB3 GLU 101 HB1 GLU 101 -6.998 -0.250 7.090 787 HG2 GLU 101 HG2 GLU 101 -6.021 2.144 8.623 788 HG3 GLU 101 HG1 GLU 101 -6.659 2.219 6.977 789 H HIS 102 HN HIS 102 -7.821 -2.162 8.418 790 HA HIS 102 HA HIS 102 -5.992 -4.343 7.724 791 HB2 HIS 102 HB2 HIS 102 -7.295 -5.971 8.921 792 HB3 HIS 102 HB1 HIS 102 -6.907 -4.683 10.052 793 HD1 HIS 102 HD1 HIS 102 -8.937 -2.954 10.541 794 HD2 HIS 102 HD2 HIS 102 -9.960 -6.541 8.696 795 HE1 HIS 102 HE1 HIS 102 -11.419 -3.193 10.850 796 HE2 HIS 102 HE2 HIS 102 -12.040 -5.295 9.614 797 H ALA 103 HN ALA 103 -7.207 -6.068 6.472 798 HA ALA 103 HA ALA 103 -9.128 -4.736 4.688 799 HB1 ALA 103 HB1 ALA 103 -7.465 -7.210 4.206 800 HB2 ALA 103 HB2 ALA 103 -7.103 -5.591 3.604 801 HB3 ALA 103 HB3 ALA 103 -8.543 -6.442 3.039 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 3.592 0.855 -11.602 2 H2 GLY 1 HT2 GLY 1 2.078 1.341 -12.186 3 H3 GLY 1 HT3 GLY 1 2.338 1.206 -10.518 4 HA2 GLY 1 HA1 GLY 1 3.735 3.133 -12.290 5 HA3 GLY 1 HA2 GLY 1 2.340 3.528 -11.293 6 H SER 2 HN SER 2 5.273 1.591 -10.679 7 HA SER 2 HA SER 2 5.588 3.046 -8.152 8 HB2 SER 2 HB2 SER 2 6.967 0.518 -9.096 9 HB3 SER 2 HB1 SER 2 7.025 1.198 -7.471 10 HG SER 2 HG SER 2 4.898 -0.087 -8.803 11 H HIS 3 HN HIS 3 6.998 4.676 -8.099 12 HA HIS 3 HA HIS 3 9.564 4.368 -9.412 13 HB2 HIS 3 HB2 HIS 3 9.468 6.487 -10.619 14 HB3 HIS 3 HB1 HIS 3 8.208 5.397 -11.176 15 HD1 HIS 3 HD1 HIS 3 8.555 8.737 -10.927 16 HD2 HIS 3 HD2 HIS 3 5.758 6.173 -9.225 17 HE1 HIS 3 HE1 HIS 3 6.564 10.173 -10.384 18 HE2 HIS 3 HE2 HIS 3 4.808 8.548 -9.601 19 H MET 4 HN MET 4 11.134 5.112 -8.202 20 HA MET 4 HA MET 4 10.668 5.955 -5.572 21 HB2 MET 4 HB2 MET 4 13.104 6.245 -5.424 22 HB3 MET 4 HB1 MET 4 12.675 4.737 -6.218 23 HG2 MET 4 HG2 MET 4 13.100 5.790 -8.399 24 HG3 MET 4 HG1 MET 4 13.586 7.266 -7.569 25 HE1 MET 4 HE1 MET 4 16.809 6.113 -5.671 26 HE2 MET 4 HE2 MET 4 15.159 6.113 -5.047 27 HE3 MET 4 HE3 MET 4 15.731 7.462 -6.029 28 H ASN 5 HN ASN 5 10.943 7.783 -8.464 29 HA ASN 5 HA ASN 5 11.840 10.254 -7.599 30 HB2 ASN 5 HB2 ASN 5 11.482 9.940 -9.915 31 HB3 ASN 5 HB1 ASN 5 9.807 9.460 -9.676 32 HD21 ASN 5 HD21 ASN 5 12.033 12.118 -9.843 33 HD22 ASN 5 HD22 ASN 5 10.845 13.370 -9.972 34 H ARG 6 HN ARG 6 8.734 8.731 -7.088 35 HA ARG 6 HA ARG 6 7.152 10.918 -6.440 36 HB2 ARG 6 HB2 ARG 6 6.248 8.685 -6.751 37 HB3 ARG 6 HB1 ARG 6 7.104 8.102 -5.334 38 HG2 ARG 6 HG2 ARG 6 5.191 10.342 -4.972 39 HG3 ARG 6 HG1 ARG 6 4.539 8.732 -5.278 40 HD2 ARG 6 HD2 ARG 6 5.756 7.851 -3.366 41 HD3 ARG 6 HD1 ARG 6 6.497 9.427 -3.085 42 HE ARG 6 HE ARG 6 3.782 9.868 -3.016 43 HH11 ARG 6 HH11 ARG 6 6.050 7.850 -1.249 44 HH12 ARG 6 HH12 ARG 6 5.130 7.897 0.230 45 HH21 ARG 6 HH21 ARG 6 2.574 9.928 -1.076 46 HH22 ARG 6 HH22 ARG 6 3.160 9.082 0.333 47 H PHE 7 HN PHE 7 9.425 9.129 -4.397 48 HA PHE 7 HA PHE 7 8.611 10.499 -2.004 49 HB2 PHE 7 HB2 PHE 7 9.527 8.191 -1.977 50 HB3 PHE 7 HB1 PHE 7 11.084 8.825 -2.499 51 HD1 PHE 7 HD2 PHE 7 8.600 8.929 0.243 52 HD2 PHE 7 HD1 PHE 7 12.619 9.681 -0.942 53 HE1 PHE 7 HE2 PHE 7 9.220 9.305 2.594 54 HE2 PHE 7 HE1 PHE 7 13.245 10.057 1.407 55 HZ PHE 7 HZ PHE 7 11.544 9.869 3.179 56 H LEU 8 HN LEU 8 11.490 10.592 -4.088 57 HA LEU 8 HA LEU 8 12.879 12.550 -2.662 58 HB2 LEU 8 HB2 LEU 8 12.990 11.695 -5.541 59 HB3 LEU 8 HB1 LEU 8 14.014 12.977 -4.928 60 HG LEU 8 HG LEU 8 14.884 11.319 -3.225 61 HD11 LEU 8 HD11 LEU 8 14.657 8.946 -3.757 62 HD12 LEU 8 HD12 LEU 8 13.506 9.343 -5.034 63 HD13 LEU 8 HD13 LEU 8 13.102 9.673 -3.350 64 HD21 LEU 8 HD21 LEU 8 16.424 10.281 -4.808 65 HD22 LEU 8 HD22 LEU 8 16.159 11.983 -5.190 66 HD23 LEU 8 HD23 LEU 8 15.361 10.731 -6.142 67 H THR 9 HN THR 9 10.690 12.905 -5.453 68 HA THR 9 HA THR 9 10.914 15.692 -5.691 69 HB THR 9 HB THR 9 8.609 13.871 -6.401 70 HG1 THR 9 HG1 THR 9 10.951 14.748 -7.714 71 HG21 THR 9 HG21 THR 9 9.168 16.695 -7.320 72 HG22 THR 9 HG22 THR 9 7.856 16.201 -6.250 73 HG23 THR 9 HG23 THR 9 7.886 15.645 -7.925 74 H SER 10 HN SER 10 8.806 13.688 -3.675 75 HA SER 10 HA SER 10 7.174 15.735 -2.662 76 HB2 SER 10 HB2 SER 10 6.679 13.341 -2.339 77 HB3 SER 10 HB1 SER 10 8.096 13.183 -1.306 78 HG SER 10 HG SER 10 5.660 14.516 -0.808 79 H ILE 11 HN ILE 11 10.258 14.397 -1.506 80 HA ILE 11 HA ILE 11 10.540 16.083 0.736 81 HB ILE 11 HB ILE 11 12.691 14.763 -0.927 82 HG12 ILE 11 HG12 ILE 11 11.111 13.157 0.016 83 HG13 ILE 11 HG11 ILE 11 12.665 13.037 0.834 84 HG21 ILE 11 HG21 ILE 11 12.845 15.940 1.846 85 HG22 ILE 11 HG22 ILE 11 13.630 16.567 0.394 86 HG23 ILE 11 HG23 ILE 11 14.118 15.006 1.058 87 HD11 ILE 11 HD11 ILE 11 10.215 14.435 1.887 88 HD12 ILE 11 HD12 ILE 11 11.774 14.333 2.705 89 HD13 ILE 11 HD13 ILE 11 10.835 12.869 2.411 90 H VAL 12 HN VAL 12 11.789 16.400 -2.582 91 HA VAL 12 HA VAL 12 13.164 18.805 -2.298 92 HB VAL 12 HB VAL 12 11.660 17.787 -4.717 93 HG11 VAL 12 HG11 VAL 12 13.763 19.942 -4.531 94 HG12 VAL 12 HG12 VAL 12 12.062 20.174 -4.926 95 HG13 VAL 12 HG13 VAL 12 13.107 19.279 -6.028 96 HG21 VAL 12 HG21 VAL 12 13.871 17.031 -5.474 97 HG22 VAL 12 HG22 VAL 12 13.391 16.256 -3.965 98 HG23 VAL 12 HG23 VAL 12 14.568 17.570 -3.946 99 H ALA 13 HN ALA 13 9.764 18.256 -3.179 100 HA ALA 13 HA ALA 13 9.014 20.938 -3.475 101 HB1 ALA 13 HB1 ALA 13 7.623 19.063 -4.211 102 HB2 ALA 13 HB2 ALA 13 6.724 20.163 -3.165 103 HB3 ALA 13 HB3 ALA 13 7.318 18.630 -2.529 104 H TRP 14 HN TRP 14 8.998 18.834 -0.628 105 HA TRP 14 HA TRP 14 7.945 20.641 1.230 106 HB2 TRP 14 HB2 TRP 14 8.141 18.339 1.823 107 HB3 TRP 14 HB1 TRP 14 9.866 18.326 1.488 108 HD1 TRP 14 HD1 TRP 14 7.763 20.572 3.877 109 HE1 TRP 14 HE1 TRP 14 8.864 20.472 6.201 110 HE3 TRP 14 HE3 TRP 14 11.544 17.298 2.825 111 HZ2 TRP 14 HZ2 TRP 14 11.066 19.176 7.419 112 HZ3 TRP 14 HZ3 TRP 14 13.104 16.680 4.621 113 HH2 TRP 14 HH2 TRP 14 12.872 17.594 6.871 114 H LEU 15 HN LEU 15 11.333 19.980 0.384 115 HA LEU 15 HA LEU 15 12.521 21.760 2.177 116 HB2 LEU 15 HB2 LEU 15 13.521 20.885 -0.532 117 HB3 LEU 15 HB1 LEU 15 14.495 21.669 0.697 118 HG LEU 15 HG LEU 15 13.270 18.916 0.814 119 HD11 LEU 15 HD11 LEU 15 15.596 18.209 1.037 120 HD12 LEU 15 HD12 LEU 15 16.124 19.887 0.903 121 HD13 LEU 15 HD13 LEU 15 15.335 19.100 -0.463 122 HD21 LEU 15 HD21 LEU 15 14.729 20.434 2.982 123 HD22 LEU 15 HD22 LEU 15 14.262 18.735 3.048 124 HD23 LEU 15 HD23 LEU 15 13.020 19.986 2.992 125 H ARG 16 HN ARG 16 11.594 22.280 -1.226 126 HA ARG 16 HA ARG 16 12.531 24.962 -1.254 127 HB2 ARG 16 HB2 ARG 16 11.456 25.189 -3.394 128 HB3 ARG 16 HB1 ARG 16 12.231 23.617 -3.313 129 HG2 ARG 16 HG2 ARG 16 10.054 22.582 -2.851 130 HG3 ARG 16 HG1 ARG 16 9.289 24.166 -2.977 131 HD2 ARG 16 HD2 ARG 16 10.761 22.680 -5.150 132 HD3 ARG 16 HD1 ARG 16 9.026 22.988 -5.061 133 HE ARG 16 HE ARG 16 10.111 25.479 -5.008 134 HH11 ARG 16 HH11 ARG 16 10.365 22.748 -7.199 135 HH12 ARG 16 HH12 ARG 16 10.772 23.733 -8.573 136 HH21 ARG 16 HH21 ARG 16 10.625 26.761 -6.798 137 HH22 ARG 16 HH22 ARG 16 10.922 26.024 -8.344 138 H ALA 17 HN ALA 17 9.395 23.493 -0.554 139 HA ALA 17 HA ALA 17 7.912 25.891 -0.420 140 HB1 ALA 17 HB1 ALA 17 6.859 23.681 -0.531 141 HB2 ALA 17 HB2 ALA 17 6.274 24.610 0.849 142 HB3 ALA 17 HB3 ALA 17 7.451 23.319 1.089 143 H GLY 18 HN GLY 18 10.020 24.257 1.848 144 HA2 GLY 18 HA2 GLY 18 9.438 25.781 4.142 145 HA3 GLY 18 HA1 GLY 18 10.976 25.003 3.799 146 H TYR 19 HN TYR 19 11.503 26.491 1.363 147 HA TYR 19 HA TYR 19 11.704 29.252 2.274 148 HB2 TYR 19 HB2 TYR 19 14.082 27.453 1.854 149 HB3 TYR 19 HB1 TYR 19 14.209 29.189 1.600 150 HD1 TYR 19 HD2 TYR 19 13.953 30.740 3.489 151 HD2 TYR 19 HD1 TYR 19 13.943 26.528 4.078 152 HE1 TYR 19 HE2 TYR 19 14.330 31.083 5.889 153 HE2 TYR 19 HE1 TYR 19 14.318 26.862 6.488 154 HH TYR 19 HH TYR 19 15.463 28.999 7.917 155 HA PRO 20 HA PRO 20 10.821 28.677 -2.243 156 HB2 PRO 20 HB2 PRO 20 8.926 30.630 -2.357 157 HB3 PRO 20 HB1 PRO 20 8.570 28.958 -1.915 158 HG2 PRO 20 HG2 PRO 20 8.982 31.336 -0.147 159 HG3 PRO 20 HG1 PRO 20 7.764 30.052 -0.030 160 HD2 PRO 20 HD2 PRO 20 9.979 30.078 1.512 161 HD3 PRO 20 HD1 PRO 20 9.240 28.567 0.943 162 H GLU 21 HN GLU 21 11.726 31.352 -0.243 163 HA GLU 21 HA GLU 21 12.394 33.059 -2.487 164 HB2 GLU 21 HB2 GLU 21 12.938 34.723 -0.934 165 HB3 GLU 21 HB1 GLU 21 11.408 33.995 -0.467 166 HG2 GLU 21 HG2 GLU 21 13.891 32.914 0.700 167 HG3 GLU 21 HG1 GLU 21 13.297 34.472 1.200 168 H GLY 22 HN GLY 22 13.777 30.475 -1.082 169 HA2 GLY 22 HA2 GLY 22 15.962 29.803 -1.965 170 HA3 GLY 22 HA1 GLY 22 16.501 31.453 -1.678 171 H ILE 23 HN ILE 23 17.176 28.601 -0.623 172 HA ILE 23 HA ILE 23 16.720 28.902 2.216 173 HB ILE 23 HB ILE 23 18.375 26.815 0.771 174 HG12 ILE 23 HG12 ILE 23 16.349 25.348 1.482 175 HG13 ILE 23 HG11 ILE 23 15.480 26.873 1.592 176 HG21 ILE 23 HG21 ILE 23 17.358 26.911 3.606 177 HG22 ILE 23 HG22 ILE 23 19.038 27.057 3.086 178 HG23 ILE 23 HG23 ILE 23 18.174 25.536 2.859 179 HD11 ILE 23 HD11 ILE 23 15.901 27.304 -0.755 180 HD12 ILE 23 HD12 ILE 23 15.119 25.739 -0.543 181 HD13 ILE 23 HD13 ILE 23 16.849 25.821 -0.875 182 HA PRO 24 HA PRO 24 20.450 31.412 2.552 183 HB2 PRO 24 HB2 PRO 24 19.850 31.195 5.438 184 HB3 PRO 24 HB1 PRO 24 20.022 32.636 4.431 185 HG2 PRO 24 HG2 PRO 24 17.630 31.845 5.333 186 HG3 PRO 24 HG1 PRO 24 17.822 32.568 3.725 187 HD2 PRO 24 HD2 PRO 24 17.493 29.691 4.482 188 HD3 PRO 24 HD1 PRO 24 16.782 30.588 3.124 189 HA PRO 25 HA PRO 25 23.696 28.580 3.338 190 HB2 PRO 25 HB2 PRO 25 25.341 30.192 4.944 191 HB3 PRO 25 HB1 PRO 25 25.372 30.089 3.182 192 HG2 PRO 25 HG2 PRO 25 24.056 32.098 4.944 193 HG3 PRO 25 HG1 PRO 25 24.831 32.322 3.364 194 HD2 PRO 25 HD2 PRO 25 22.169 32.311 3.614 195 HD3 PRO 25 HD1 PRO 25 22.959 31.572 2.206 196 H THR 26 HN THR 26 22.868 30.448 6.267 197 HA THR 26 HA THR 26 23.842 28.602 8.140 198 HB THR 26 HB THR 26 22.061 29.726 9.657 199 HG1 THR 26 HG1 THR 26 20.660 30.580 8.152 200 HG21 THR 26 HG21 THR 26 24.425 30.334 9.686 201 HG22 THR 26 HG22 THR 26 23.413 31.771 9.833 202 HG23 THR 26 HG23 THR 26 24.184 31.388 8.294 203 H ASP 27 HN ASP 27 20.651 29.019 6.711 204 HA ASP 27 HA ASP 27 19.420 26.952 8.241 205 HB2 ASP 27 HB2 ASP 27 18.469 28.303 5.704 206 HB3 ASP 27 HB1 ASP 27 17.477 27.370 6.823 207 H SER 28 HN SER 28 21.100 27.125 5.208 208 HA SER 28 HA SER 28 20.217 24.699 4.080 209 HB2 SER 28 HB2 SER 28 22.904 26.065 3.766 210 HB3 SER 28 HB1 SER 28 22.246 24.820 2.701 211 HG SER 28 HG SER 28 21.034 27.345 3.188 212 H PHE 29 HN PHE 29 22.921 25.469 6.240 213 HA PHE 29 HA PHE 29 23.913 22.829 6.462 214 HB2 PHE 29 HB2 PHE 29 24.122 25.244 8.260 215 HB3 PHE 29 HB1 PHE 29 24.863 23.706 8.673 216 HD1 PHE 29 HD2 PHE 29 24.741 24.838 5.186 217 HD2 PHE 29 HD1 PHE 29 27.068 24.654 8.742 218 HE1 PHE 29 HE2 PHE 29 26.743 25.453 3.901 219 HE2 PHE 29 HE1 PHE 29 29.077 25.266 7.462 220 HZ PHE 29 HZ PHE 29 28.916 25.667 5.038 221 H ALA 30 HN ALA 30 21.442 24.640 8.145 222 HA ALA 30 HA ALA 30 20.848 22.786 10.174 223 HB1 ALA 30 HB1 ALA 30 19.124 24.840 8.799 224 HB2 ALA 30 HB2 ALA 30 20.036 25.041 10.297 225 HB3 ALA 30 HB3 ALA 30 18.650 23.949 10.245 226 H VAL 31 HN VAL 31 19.446 23.252 6.937 227 HA VAL 31 HA VAL 31 17.599 21.172 6.951 228 HB VAL 31 HB VAL 31 19.224 22.242 4.632 229 HG11 VAL 31 HG11 VAL 31 16.751 20.513 4.575 230 HG12 VAL 31 HG12 VAL 31 18.375 20.013 4.107 231 HG13 VAL 31 HG13 VAL 31 17.530 21.248 3.173 232 HG21 VAL 31 HG21 VAL 31 17.803 23.909 5.705 233 HG22 VAL 31 HG22 VAL 31 16.408 22.843 5.533 234 HG23 VAL 31 HG23 VAL 31 17.197 23.502 4.099 235 H LEU 32 HN LEU 32 21.012 21.124 5.920 236 HA LEU 32 HA LEU 32 21.018 18.429 5.136 237 HB2 LEU 32 HB2 LEU 32 23.298 18.625 4.834 238 HB3 LEU 32 HB1 LEU 32 22.747 20.273 4.654 239 HG LEU 32 HG LEU 32 23.383 20.400 7.228 240 HD11 LEU 32 HD11 LEU 32 25.358 19.076 7.735 241 HD12 LEU 32 HD12 LEU 32 25.231 18.260 6.176 242 HD13 LEU 32 HD13 LEU 32 23.979 18.028 7.396 243 HD21 LEU 32 HD21 LEU 32 25.521 21.309 6.587 244 HD22 LEU 32 HD22 LEU 32 24.303 21.760 5.392 245 HD23 LEU 32 HD23 LEU 32 25.449 20.466 5.038 246 H ALA 33 HN ALA 33 21.701 19.961 8.255 247 HA ALA 33 HA ALA 33 22.581 17.663 9.611 248 HB1 ALA 33 HB1 ALA 33 22.826 19.931 10.494 249 HB2 ALA 33 HB2 ALA 33 22.042 18.861 11.657 250 HB3 ALA 33 HB3 ALA 33 21.083 20.023 10.740 251 H LEU 34 HN LEU 34 19.314 19.044 9.323 252 HA LEU 34 HA LEU 34 18.035 17.096 10.916 253 HB2 LEU 34 HB2 LEU 34 17.163 19.180 8.995 254 HB3 LEU 34 HB1 LEU 34 16.022 17.892 9.325 255 HG LEU 34 HG LEU 34 15.580 19.811 10.748 256 HD11 LEU 34 HD11 LEU 34 15.105 17.595 11.637 257 HD12 LEU 34 HD12 LEU 34 15.603 18.699 12.920 258 HD13 LEU 34 HD13 LEU 34 16.738 17.500 12.297 259 HD21 LEU 34 HD21 LEU 34 18.367 19.402 11.816 260 HD22 LEU 34 HD22 LEU 34 17.171 20.537 12.445 261 HD23 LEU 34 HD23 LEU 34 17.827 20.753 10.821 262 H LEU 35 HN LEU 35 18.511 17.321 7.409 263 HA LEU 35 HA LEU 35 16.961 15.028 6.806 264 HB2 LEU 35 HB2 LEU 35 18.824 16.783 5.311 265 HB3 LEU 35 HB1 LEU 35 18.520 15.190 4.646 266 HG LEU 35 HG LEU 35 16.111 15.673 4.574 267 HD11 LEU 35 HD11 LEU 35 16.894 18.417 5.545 268 HD12 LEU 35 HD12 LEU 35 15.962 17.221 6.444 269 HD13 LEU 35 HD13 LEU 35 15.294 17.939 4.978 270 HD21 LEU 35 HD21 LEU 35 16.182 17.323 2.774 271 HD22 LEU 35 HD22 LEU 35 17.488 16.147 2.626 272 HD23 LEU 35 HD23 LEU 35 17.822 17.765 3.244 273 H CYS 36 HN CYS 36 20.379 15.462 7.540 274 HA CYS 36 HA CYS 36 21.249 12.913 6.686 275 HB2 CYS 36 HB2 CYS 36 22.361 14.890 8.661 276 HB3 CYS 36 HB1 CYS 36 23.149 13.349 8.353 277 HG CYS 36 HG CYS 36 22.768 16.002 6.256 278 H ARG 37 HN ARG 37 19.399 13.856 9.397 279 HA ARG 37 HA ARG 37 20.162 11.487 10.920 280 HB2 ARG 37 HB2 ARG 37 18.259 13.716 11.659 281 HB3 ARG 37 HB1 ARG 37 18.827 12.438 12.729 282 HG2 ARG 37 HG2 ARG 37 21.153 13.280 12.370 283 HG3 ARG 37 HG1 ARG 37 20.459 14.643 11.493 284 HD2 ARG 37 HD2 ARG 37 20.917 15.265 13.791 285 HD3 ARG 37 HD1 ARG 37 19.181 15.274 13.484 286 HE ARG 37 HE ARG 37 19.279 12.945 14.550 287 HH11 ARG 37 HH11 ARG 37 21.406 15.586 15.413 288 HH12 ARG 37 HH12 ARG 37 21.623 15.047 17.053 289 HH21 ARG 37 HH21 ARG 37 19.556 12.215 16.687 290 HH22 ARG 37 HH22 ARG 37 20.582 13.110 17.771 291 H ARG 38 HN ARG 38 18.115 12.181 8.483 292 HA ARG 38 HA ARG 38 16.210 10.112 9.349 293 HB2 ARG 38 HB2 ARG 38 15.086 12.267 9.025 294 HB3 ARG 38 HB1 ARG 38 15.742 12.382 7.399 295 HG2 ARG 38 HG2 ARG 38 13.368 11.664 7.498 296 HG3 ARG 38 HG1 ARG 38 14.429 10.533 6.657 297 HD2 ARG 38 HD2 ARG 38 12.897 9.332 8.099 298 HD3 ARG 38 HD1 ARG 38 14.549 9.159 8.687 299 HE ARG 38 HE ARG 38 12.711 11.131 9.872 300 HH11 ARG 38 HH11 ARG 38 14.887 8.402 10.205 301 HH12 ARG 38 HH12 ARG 38 14.773 8.372 11.940 302 HH21 ARG 38 HH21 ARG 38 12.557 11.079 12.150 303 HH22 ARG 38 HH22 ARG 38 13.464 9.892 13.043 304 H LEU 39 HN LEU 39 17.921 11.476 6.559 305 HA LEU 39 HA LEU 39 17.778 8.827 5.277 306 HB2 LEU 39 HB2 LEU 39 18.014 11.566 4.022 307 HB3 LEU 39 HB1 LEU 39 18.111 10.056 3.135 308 HG LEU 39 HG LEU 39 15.690 10.952 4.702 309 HD11 LEU 39 HD11 LEU 39 14.680 11.414 2.523 310 HD12 LEU 39 HD12 LEU 39 16.214 11.048 1.733 311 HD13 LEU 39 HD13 LEU 39 16.087 12.437 2.812 312 HD21 LEU 39 HD21 LEU 39 15.868 8.538 4.492 313 HD22 LEU 39 HD22 LEU 39 16.101 8.691 2.751 314 HD23 LEU 39 HD23 LEU 39 14.562 9.152 3.477 315 H SER 40 HN SER 40 19.714 8.563 3.680 316 HA SER 40 HA SER 40 22.069 8.944 5.352 317 HB2 SER 40 HB2 SER 40 21.471 6.697 4.402 318 HB3 SER 40 HB1 SER 40 21.826 7.339 2.799 319 HG SER 40 HG SER 40 23.615 7.076 4.995 320 H HIS 41 HN HIS 41 24.167 9.118 3.922 321 HA HIS 41 HA HIS 41 24.298 11.777 3.082 322 HB2 HIS 41 HB2 HIS 41 26.588 11.243 2.300 323 HB3 HIS 41 HB1 HIS 41 26.269 10.644 3.922 324 HD1 HIS 41 HD1 HIS 41 27.402 9.582 0.603 325 HD2 HIS 41 HD2 HIS 41 25.879 7.769 4.024 326 HE1 HIS 41 HE1 HIS 41 27.921 7.131 0.366 327 HE2 HIS 41 HE2 HIS 41 27.208 6.109 2.559 328 H ASP 42 HN ASP 42 23.709 8.853 1.254 329 HA ASP 42 HA ASP 42 24.213 9.924 -1.320 330 HB2 ASP 42 HB2 ASP 42 22.316 7.695 -0.530 331 HB3 ASP 42 HB1 ASP 42 22.867 8.040 -2.165 332 H GLU 43 HN GLU 43 21.171 9.406 0.453 333 HA GLU 43 HA GLU 43 19.488 10.636 -1.393 334 HB2 GLU 43 HB2 GLU 43 19.134 10.505 1.603 335 HB3 GLU 43 HB1 GLU 43 17.871 10.873 0.441 336 HG2 GLU 43 HG2 GLU 43 17.456 8.673 0.850 337 HG3 GLU 43 HG1 GLU 43 18.511 8.549 -0.557 338 H VAL 44 HN VAL 44 21.123 12.043 1.450 339 HA VAL 44 HA VAL 44 19.905 14.581 1.135 340 HB VAL 44 HB VAL 44 21.560 15.451 2.705 341 HG11 VAL 44 HG11 VAL 44 21.024 14.025 4.594 342 HG12 VAL 44 HG12 VAL 44 20.569 12.719 3.502 343 HG13 VAL 44 HG13 VAL 44 19.623 14.208 3.539 344 HG21 VAL 44 HG21 VAL 44 23.299 14.002 3.642 345 HG22 VAL 44 HG22 VAL 44 23.547 14.296 1.920 346 HG23 VAL 44 HG23 VAL 44 22.886 12.753 2.464 347 H LYS 45 HN LYS 45 22.987 13.265 -0.055 348 HA LYS 45 HA LYS 45 23.896 15.704 -1.184 349 HB2 LYS 45 HB2 LYS 45 25.381 13.752 -0.806 350 HB3 LYS 45 HB1 LYS 45 24.529 12.868 -2.057 351 HG2 LYS 45 HG2 LYS 45 25.212 14.631 -3.680 352 HG3 LYS 45 HG1 LYS 45 26.197 15.345 -2.404 353 HD2 LYS 45 HD2 LYS 45 26.484 12.507 -3.374 354 HD3 LYS 45 HD1 LYS 45 27.446 13.855 -3.975 355 HE2 LYS 45 HE2 LYS 45 27.328 12.965 -1.095 356 HE3 LYS 45 HE1 LYS 45 28.595 12.518 -2.235 357 HZ1 LYS 45 HZ1 LYS 45 28.952 14.997 -2.516 358 HZ2 LYS 45 HZ2 LYS 45 29.445 14.319 -1.047 359 HZ3 LYS 45 HZ3 LYS 45 28.000 15.197 -1.127 360 H ALA 46 HN ALA 46 21.913 13.048 -2.386 361 HA ALA 46 HA ALA 46 21.763 13.887 -5.071 362 HB1 ALA 46 HB1 ALA 46 19.880 12.362 -5.257 363 HB2 ALA 46 HB2 ALA 46 19.776 12.251 -3.500 364 HB3 ALA 46 HB3 ALA 46 21.193 11.623 -4.342 365 H VAL 47 HN VAL 47 19.572 14.465 -2.314 366 HA VAL 47 HA VAL 47 17.697 15.927 -3.881 367 HB VAL 47 HB VAL 47 17.073 14.797 -1.770 368 HG11 VAL 47 HG11 VAL 47 19.003 15.343 -0.401 369 HG12 VAL 47 HG12 VAL 47 17.516 15.879 0.379 370 HG13 VAL 47 HG13 VAL 47 18.559 17.049 -0.428 371 HG21 VAL 47 HG21 VAL 47 16.515 17.756 -1.863 372 HG22 VAL 47 HG22 VAL 47 15.587 16.568 -0.946 373 HG23 VAL 47 HG23 VAL 47 15.625 16.489 -2.707 374 H ALA 48 HN ALA 48 20.431 16.899 -1.823 375 HA ALA 48 HA ALA 48 19.959 19.690 -2.037 376 HB1 ALA 48 HB1 ALA 48 21.454 18.725 -0.351 377 HB2 ALA 48 HB2 ALA 48 22.273 19.956 -1.313 378 HB3 ALA 48 HB3 ALA 48 22.580 18.246 -1.622 379 H ASN 49 HN ASN 49 21.981 17.457 -3.928 380 HA ASN 49 HA ASN 49 23.028 19.382 -5.695 381 HB2 ASN 49 HB2 ASN 49 23.955 17.100 -5.465 382 HB3 ASN 49 HB1 ASN 49 22.507 16.445 -6.217 383 HD21 ASN 49 HD21 ASN 49 25.450 18.215 -6.727 384 HD22 ASN 49 HD22 ASN 49 25.453 18.107 -8.452 385 H GLU 50 HN GLU 50 20.137 17.346 -5.878 386 HA GLU 50 HA GLU 50 19.287 18.054 -8.454 387 HB2 GLU 50 HB2 GLU 50 18.311 16.179 -7.272 388 HB3 GLU 50 HB1 GLU 50 17.707 17.238 -6.006 389 HG2 GLU 50 HG2 GLU 50 15.836 16.779 -7.290 390 HG3 GLU 50 HG1 GLU 50 16.349 18.367 -7.851 391 H LEU 51 HN LEU 51 18.553 19.465 -5.301 392 HA LEU 51 HA LEU 51 16.680 21.340 -6.311 393 HB2 LEU 51 HB2 LEU 51 16.746 20.393 -4.015 394 HB3 LEU 51 HB1 LEU 51 18.175 21.360 -3.695 395 HG LEU 51 HG LEU 51 16.940 23.402 -3.855 396 HD11 LEU 51 HD11 LEU 51 14.552 23.465 -4.353 397 HD12 LEU 51 HD12 LEU 51 14.556 21.723 -4.631 398 HD13 LEU 51 HD13 LEU 51 15.458 22.790 -5.707 399 HD21 LEU 51 HD21 LEU 51 16.825 22.247 -1.720 400 HD22 LEU 51 HD22 LEU 51 15.390 21.372 -2.258 401 HD23 LEU 51 HD23 LEU 51 15.326 23.120 -2.039 402 H MET 52 HN MET 52 20.138 21.460 -5.646 403 HA MET 52 HA MET 52 20.406 24.256 -6.231 404 HB2 MET 52 HB2 MET 52 22.411 22.003 -6.108 405 HB3 MET 52 HB1 MET 52 22.857 23.665 -6.470 406 HG2 MET 52 HG2 MET 52 22.022 24.388 -4.321 407 HG3 MET 52 HG1 MET 52 21.486 22.750 -3.954 408 HE1 MET 52 HE1 MET 52 22.816 23.049 -1.637 409 HE2 MET 52 HE2 MET 52 23.391 24.636 -2.146 410 HE3 MET 52 HE3 MET 52 24.534 23.433 -1.548 411 H ARG 53 HN ARG 53 20.576 21.278 -8.025 412 HA ARG 53 HA ARG 53 21.515 22.186 -10.495 413 HB2 ARG 53 HB2 ARG 53 21.335 19.846 -9.996 414 HB3 ARG 53 HB1 ARG 53 19.611 19.984 -9.707 415 HG2 ARG 53 HG2 ARG 53 19.325 20.506 -12.129 416 HG3 ARG 53 HG1 ARG 53 21.042 20.134 -12.346 417 HD2 ARG 53 HD2 ARG 53 20.677 17.906 -11.406 418 HD3 ARG 53 HD1 ARG 53 18.969 18.273 -11.189 419 HE ARG 53 HE ARG 53 19.974 18.465 -13.908 420 HH11 ARG 53 HH11 ARG 53 18.240 16.614 -11.485 421 HH12 ARG 53 HH12 ARG 53 17.669 15.433 -12.630 422 HH21 ARG 53 HH21 ARG 53 19.196 16.935 -15.405 423 HH22 ARG 53 HH22 ARG 53 18.208 15.613 -14.854 424 H LEU 54 HN LEU 54 18.270 22.146 -9.108 425 HA LEU 54 HA LEU 54 16.920 23.136 -11.395 426 HB2 LEU 54 HB2 LEU 54 16.175 23.319 -8.478 427 HB3 LEU 54 HB1 LEU 54 15.098 23.672 -9.815 428 HG LEU 54 HG LEU 54 16.309 20.979 -9.186 429 HD11 LEU 54 HD11 LEU 54 13.490 22.009 -8.919 430 HD12 LEU 54 HD12 LEU 54 14.594 21.635 -7.596 431 HD13 LEU 54 HD13 LEU 54 14.009 20.346 -8.647 432 HD21 LEU 54 HD21 LEU 54 14.327 21.775 -11.316 433 HD22 LEU 54 HD22 LEU 54 14.871 20.135 -10.961 434 HD23 LEU 54 HD23 LEU 54 16.010 21.326 -11.591 435 H GLY 55 HN GLY 55 18.736 24.629 -8.842 436 HA2 GLY 55 HA2 GLY 55 19.689 26.767 -8.965 437 HA3 GLY 55 HA1 GLY 55 18.537 27.187 -10.223 438 H ASP 56 HN ASP 56 17.077 25.677 -7.570 439 HA ASP 56 HA ASP 56 15.940 28.250 -6.764 440 HB2 ASP 56 HB2 ASP 56 15.024 25.418 -6.215 441 HB3 ASP 56 HB1 ASP 56 14.205 26.862 -5.627 442 H PHE 57 HN PHE 57 18.483 26.547 -5.886 443 HA PHE 57 HA PHE 57 18.144 26.929 -2.988 444 HB2 PHE 57 HB2 PHE 57 19.061 24.745 -4.292 445 HB3 PHE 57 HB1 PHE 57 20.573 25.619 -4.102 446 HD1 PHE 57 HD1 PHE 57 21.029 26.485 -1.632 447 HD2 PHE 57 HD2 PHE 57 18.418 23.292 -2.663 448 HE1 PHE 57 HE1 PHE 57 21.260 25.570 0.637 449 HE2 PHE 57 HE2 PHE 57 18.640 22.374 -0.396 450 HZ PHE 57 HZ PHE 57 20.061 23.513 1.262 451 H ASP 58 HN ASP 58 20.261 27.729 -1.901 452 HA ASP 58 HA ASP 58 21.362 29.937 -3.461 453 HB2 ASP 58 HB2 ASP 58 20.584 30.126 -0.989 454 HB3 ASP 58 HB1 ASP 58 22.096 29.309 -0.604 455 H GLN 59 HN GLN 59 23.706 30.212 -3.604 456 HA GLN 59 HA GLN 59 24.885 27.647 -4.237 457 HB2 GLN 59 HB2 GLN 59 24.992 29.672 -5.747 458 HB3 GLN 59 HB1 GLN 59 26.128 30.371 -4.603 459 HG2 GLN 59 HG2 GLN 59 27.422 29.427 -6.322 460 HG3 GLN 59 HG1 GLN 59 27.559 28.332 -4.948 461 HE21 GLN 59 HE21 GLN 59 27.976 27.805 -7.773 462 HE22 GLN 59 HE22 GLN 59 26.879 26.537 -8.204 463 H ILE 60 HN ILE 60 25.180 26.834 -2.108 464 HA ILE 60 HA ILE 60 27.772 27.698 -1.041 465 HB ILE 60 HB ILE 60 27.144 27.220 1.255 466 HG12 ILE 60 HG12 ILE 60 25.296 25.577 0.647 467 HG13 ILE 60 HG11 ILE 60 24.975 26.648 2.004 468 HG21 ILE 60 HG21 ILE 60 25.291 29.215 -0.028 469 HG22 ILE 60 HG22 ILE 60 26.942 29.506 0.521 470 HG23 ILE 60 HG23 ILE 60 25.676 29.137 1.692 471 HD11 ILE 60 HD11 ILE 60 23.930 26.988 -0.796 472 HD12 ILE 60 HD12 ILE 60 23.602 28.057 0.567 473 HD13 ILE 60 HD13 ILE 60 23.021 26.392 0.593 474 H ASP 61 HN ASP 61 28.890 25.926 0.141 475 HA ASP 61 HA ASP 61 28.623 23.505 -1.395 476 HB2 ASP 61 HB2 ASP 61 30.525 24.214 0.845 477 HB3 ASP 61 HB1 ASP 61 30.605 22.735 -0.104 478 H ILE 62 HN ILE 62 26.582 22.706 -0.704 479 HA ILE 62 HA ILE 62 26.347 21.833 2.056 480 HB ILE 62 HB ILE 62 24.511 21.594 -0.317 481 HG12 ILE 62 HG12 ILE 62 24.538 23.757 0.769 482 HG13 ILE 62 HG11 ILE 62 23.024 22.943 1.151 483 HG21 ILE 62 HG21 ILE 62 24.104 20.385 2.416 484 HG22 ILE 62 HG22 ILE 62 24.283 19.509 0.893 485 HG23 ILE 62 HG23 ILE 62 22.864 20.521 1.169 486 HD11 ILE 62 HD11 ILE 62 23.951 24.082 3.091 487 HD12 ILE 62 HD12 ILE 62 25.425 23.128 2.955 488 HD13 ILE 62 HD13 ILE 62 23.896 22.338 3.342 489 H GLY 63 HN GLY 63 26.895 20.432 -1.125 490 HA2 GLY 63 HA2 GLY 63 26.758 17.721 -0.421 491 HA3 GLY 63 HA1 GLY 63 27.675 18.373 -1.770 492 H VAL 64 HN VAL 64 29.172 20.093 0.202 493 HA VAL 64 HA VAL 64 31.270 18.210 0.790 494 HB VAL 64 HB VAL 64 31.097 21.172 1.356 495 HG11 VAL 64 HG11 VAL 64 32.697 20.067 2.828 496 HG12 VAL 64 HG12 VAL 64 33.528 21.064 1.632 497 HG13 VAL 64 HG13 VAL 64 33.472 19.313 1.434 498 HG21 VAL 64 HG21 VAL 64 30.999 20.668 -1.024 499 HG22 VAL 64 HG22 VAL 64 32.442 19.664 -0.883 500 HG23 VAL 64 HG23 VAL 64 32.549 21.401 -0.606 501 H VAL 65 HN VAL 65 29.050 20.259 2.679 502 HA VAL 65 HA VAL 65 30.274 19.683 5.177 503 HB VAL 65 HB VAL 65 27.474 20.723 4.698 504 HG11 VAL 65 HG11 VAL 65 27.687 21.668 6.945 505 HG12 VAL 65 HG12 VAL 65 29.273 20.916 7.114 506 HG13 VAL 65 HG13 VAL 65 27.831 19.910 6.974 507 HG21 VAL 65 HG21 VAL 65 28.433 22.952 4.980 508 HG22 VAL 65 HG22 VAL 65 29.139 22.124 3.589 509 HG23 VAL 65 HG23 VAL 65 30.047 22.245 5.097 510 H ILE 66 HN ILE 66 27.646 18.191 3.379 511 HA ILE 66 HA ILE 66 26.624 16.631 5.514 512 HB ILE 66 HB ILE 66 25.624 15.201 3.755 513 HG12 ILE 66 HG12 ILE 66 27.095 17.053 1.873 514 HG13 ILE 66 HG11 ILE 66 27.444 15.346 2.116 515 HG21 ILE 66 HG21 ILE 66 24.454 17.177 4.520 516 HG22 ILE 66 HG22 ILE 66 24.179 16.937 2.795 517 HG23 ILE 66 HG23 ILE 66 25.315 18.168 3.343 518 HD11 ILE 66 HD11 ILE 66 26.198 15.707 0.074 519 HD12 ILE 66 HD12 ILE 66 24.903 16.485 0.984 520 HD13 ILE 66 HD13 ILE 66 25.249 14.773 1.230 521 H THR 67 HN THR 67 29.422 16.337 3.545 522 HA THR 67 HA THR 67 29.878 13.603 4.530 523 HB THR 67 HB THR 67 31.604 13.489 2.697 524 HG1 THR 67 HG1 THR 67 31.924 15.189 1.449 525 HG21 THR 67 HG21 THR 67 28.764 14.057 1.824 526 HG22 THR 67 HG22 THR 67 29.376 12.506 2.402 527 HG23 THR 67 HG23 THR 67 29.973 13.181 0.887 528 H HIS 68 HN HIS 68 30.537 16.690 5.259 529 HA HIS 68 HA HIS 68 32.866 16.007 6.827 530 HB2 HIS 68 HB2 HIS 68 33.844 16.748 4.663 531 HB3 HIS 68 HB1 HIS 68 32.994 18.280 4.825 532 HD1 HIS 68 HD1 HIS 68 33.989 20.033 6.424 533 HD2 HIS 68 HD2 HIS 68 36.061 16.420 6.391 534 HE1 HIS 68 HE1 HIS 68 36.144 20.471 7.647 535 HE2 HIS 68 HE2 HIS 68 37.366 18.263 7.652 536 H PHE 69 HN PHE 69 31.305 16.349 8.485 537 HA PHE 69 HA PHE 69 29.942 18.801 8.839 538 HB2 PHE 69 HB2 PHE 69 30.675 16.603 10.775 539 HB3 PHE 69 HB1 PHE 69 29.721 18.009 11.239 540 HD1 PHE 69 HD2 PHE 69 27.467 18.311 10.418 541 HD2 PHE 69 HD1 PHE 69 29.748 14.881 9.353 542 HE1 PHE 69 HE2 PHE 69 25.417 17.201 9.626 543 HE2 PHE 69 HE1 PHE 69 27.707 13.763 8.556 544 HZ PHE 69 HZ PHE 69 25.539 14.924 8.694 545 H THR 70 HN THR 70 30.356 20.457 10.395 546 HA THR 70 HA THR 70 33.238 20.989 10.557 547 HB THR 70 HB THR 70 31.003 23.013 10.758 548 HG1 THR 70 HG1 THR 70 31.487 21.566 8.678 549 HG21 THR 70 HG21 THR 70 33.208 23.753 11.558 550 HG22 THR 70 HG22 THR 70 32.746 24.597 10.079 551 HG23 THR 70 HG23 THR 70 33.922 23.284 10.015 552 H ASP 71 HN ASP 71 34.105 21.955 12.422 553 HA ASP 71 HA ASP 71 33.477 20.842 14.848 554 HB2 ASP 71 HB2 ASP 71 35.594 21.713 14.777 555 HB3 ASP 71 HB1 ASP 71 35.081 23.192 13.975 556 H GLU 72 HN GLU 72 32.495 24.084 13.716 557 HA GLU 72 HA GLU 72 30.794 24.265 16.116 558 HB2 GLU 72 HB2 GLU 72 30.985 26.689 15.925 559 HB3 GLU 72 HB1 GLU 72 32.572 25.941 16.030 560 HG2 GLU 72 HG2 GLU 72 32.690 26.094 13.522 561 HG3 GLU 72 HG1 GLU 72 31.234 27.087 13.598 562 H LEU 73 HN LEU 73 30.299 23.251 13.207 563 HA LEU 73 HA LEU 73 27.762 24.689 12.881 564 HB2 LEU 73 HB2 LEU 73 29.742 24.113 10.671 565 HB3 LEU 73 HB1 LEU 73 28.095 24.653 10.405 566 HG LEU 73 HG LEU 73 30.194 26.232 11.894 567 HD11 LEU 73 HD11 LEU 73 29.155 26.549 9.081 568 HD12 LEU 73 HD12 LEU 73 30.768 26.006 9.538 569 HD13 LEU 73 HD13 LEU 73 30.256 27.653 9.907 570 HD21 LEU 73 HD21 LEU 73 28.600 28.079 11.678 571 HD22 LEU 73 HD22 LEU 73 27.919 26.743 12.605 572 HD23 LEU 73 HD23 LEU 73 27.437 26.985 10.926 573 HA PRO 74 HA PRO 74 26.065 24.606 11.822 574 HB2 PRO 74 HB2 PRO 74 23.559 23.710 11.856 575 HB3 PRO 74 HB1 PRO 74 24.581 23.474 10.430 576 HG2 PRO 74 HG2 PRO 74 23.830 21.527 12.562 577 HG3 PRO 74 HG1 PRO 74 24.004 21.274 10.818 578 HD2 PRO 74 HD2 PRO 74 25.928 20.672 12.754 579 HD3 PRO 74 HD1 PRO 74 26.218 20.812 11.010 580 H SER 75 HN SER 75 24.337 25.657 13.215 581 HA SER 75 HA SER 75 24.893 24.973 16.001 582 HB2 SER 75 HB2 SER 75 23.636 27.475 14.847 583 HB3 SER 75 HB1 SER 75 24.157 27.240 16.516 584 HG SER 75 HG SER 75 25.587 28.139 14.495 585 HA PRO 76 HA PRO 76 20.867 23.428 17.028 586 HB2 PRO 76 HB2 PRO 76 21.024 25.242 19.380 587 HB3 PRO 76 HB1 PRO 76 20.735 23.499 19.320 588 HG2 PRO 76 HG2 PRO 76 23.090 24.461 20.105 589 HG3 PRO 76 HG1 PRO 76 22.990 23.000 19.103 590 HD2 PRO 76 HD2 PRO 76 23.731 25.789 18.325 591 HD3 PRO 76 HD1 PRO 76 24.393 24.244 17.755 592 H GLU 77 HN GLU 77 21.435 26.909 17.364 593 HA GLU 77 HA GLU 77 18.740 27.707 17.367 594 HB2 GLU 77 HB2 GLU 77 21.165 29.230 16.390 595 HB3 GLU 77 HB1 GLU 77 19.589 29.935 16.726 596 HG2 GLU 77 HG2 GLU 77 19.835 29.138 19.086 597 HG3 GLU 77 HG1 GLU 77 21.492 28.684 18.690 598 H ASP 78 HN ASP 78 20.999 27.041 14.758 599 HA ASP 78 HA ASP 78 19.311 28.013 12.672 600 HB2 ASP 78 HB2 ASP 78 21.617 26.059 12.519 601 HB3 ASP 78 HB1 ASP 78 20.852 26.844 11.144 602 H VAL 79 HN VAL 79 20.157 24.745 13.815 603 HA VAL 79 HA VAL 79 18.518 23.387 11.975 604 HB VAL 79 HB VAL 79 18.656 21.445 13.528 605 HG11 VAL 79 HG11 VAL 79 21.082 21.145 13.286 606 HG12 VAL 79 HG12 VAL 79 21.246 22.864 12.928 607 HG13 VAL 79 HG13 VAL 79 20.351 21.817 11.827 608 HG21 VAL 79 HG21 VAL 79 20.105 21.588 15.484 609 HG22 VAL 79 HG22 VAL 79 18.691 22.630 15.648 610 HG23 VAL 79 HG23 VAL 79 20.259 23.328 15.239 611 H GLU 80 HN GLU 80 17.838 24.469 15.262 612 HA GLU 80 HA GLU 80 15.237 23.402 15.437 613 HB2 GLU 80 HB2 GLU 80 16.524 24.193 17.378 614 HB3 GLU 80 HB1 GLU 80 16.393 25.844 16.792 615 HG2 GLU 80 HG2 GLU 80 13.988 25.783 17.086 616 HG3 GLU 80 HG1 GLU 80 14.080 24.102 17.611 617 H ARG 81 HN ARG 81 16.485 26.431 14.157 618 HA ARG 81 HA ARG 81 14.026 27.765 13.812 619 HB2 ARG 81 HB2 ARG 81 16.357 28.760 13.683 620 HB3 ARG 81 HB1 ARG 81 16.474 28.073 12.069 621 HG2 ARG 81 HG2 ARG 81 14.453 29.385 11.440 622 HG3 ARG 81 HG1 ARG 81 14.530 30.164 13.022 623 HD2 ARG 81 HD2 ARG 81 16.513 30.316 10.766 624 HD3 ARG 81 HD1 ARG 81 15.614 31.630 11.523 625 HE ARG 81 HE ARG 81 17.946 30.242 12.640 626 HH11 ARG 81 HH11 ARG 81 15.589 32.824 12.841 627 HH12 ARG 81 HH12 ARG 81 16.483 33.712 14.046 628 HH21 ARG 81 HH21 ARG 81 19.135 31.411 14.202 629 HH22 ARG 81 HH22 ARG 81 18.474 32.890 14.842 630 H VAL 82 HN VAL 82 16.019 25.901 11.520 631 HA VAL 82 HA VAL 82 14.201 26.079 9.380 632 HB VAL 82 HB VAL 82 16.672 25.357 9.314 633 HG11 VAL 82 HG11 VAL 82 16.550 23.491 10.867 634 HG12 VAL 82 HG12 VAL 82 17.083 22.950 9.275 635 HG13 VAL 82 HG13 VAL 82 15.425 22.655 9.796 636 HG21 VAL 82 HG21 VAL 82 14.619 23.900 7.664 637 HG22 VAL 82 HG22 VAL 82 16.324 24.082 7.252 638 HG23 VAL 82 HG23 VAL 82 15.283 25.503 7.344 639 H ARG 83 HN ARG 83 14.543 23.757 12.017 640 HA ARG 83 HA ARG 83 12.687 21.850 11.141 641 HB2 ARG 83 HB2 ARG 83 14.175 21.489 13.071 642 HB3 ARG 83 HB1 ARG 83 13.297 22.712 13.981 643 HG2 ARG 83 HG2 ARG 83 11.246 21.288 13.716 644 HG3 ARG 83 HG1 ARG 83 12.296 20.033 13.059 645 HD2 ARG 83 HD2 ARG 83 12.549 21.291 15.788 646 HD3 ARG 83 HD1 ARG 83 11.851 19.710 15.448 647 HE ARG 83 HE ARG 83 14.434 19.736 14.396 648 HH11 ARG 83 HH11 ARG 83 12.878 19.972 17.515 649 HH12 ARG 83 HH12 ARG 83 14.177 19.199 18.377 650 HH21 ARG 83 HH21 ARG 83 16.182 18.747 15.527 651 HH22 ARG 83 HH22 ARG 83 16.063 18.531 17.250 652 H ALA 84 HN ALA 84 12.247 24.739 13.144 653 HA ALA 84 HA ALA 84 9.503 24.398 13.633 654 HB1 ALA 84 HB1 ALA 84 9.518 26.720 14.349 655 HB2 ALA 84 HB2 ALA 84 11.086 26.962 13.578 656 HB3 ALA 84 HB3 ALA 84 10.940 25.871 14.956 657 H ARG 85 HN ARG 85 11.213 26.216 11.096 658 HA ARG 85 HA ARG 85 8.767 27.276 10.031 659 HB2 ARG 85 HB2 ARG 85 10.779 28.566 9.793 660 HB3 ARG 85 HB1 ARG 85 11.580 27.253 8.942 661 HG2 ARG 85 HG2 ARG 85 10.258 27.558 7.018 662 HG3 ARG 85 HG1 ARG 85 9.117 28.598 7.872 663 HD2 ARG 85 HD2 ARG 85 10.632 30.384 7.950 664 HD3 ARG 85 HD1 ARG 85 12.009 29.343 7.591 665 HE ARG 85 HE ARG 85 10.707 29.075 5.336 666 HH11 ARG 85 HH11 ARG 85 10.974 32.027 7.215 667 HH12 ARG 85 HH12 ARG 85 11.079 33.044 5.814 668 HH21 ARG 85 HH21 ARG 85 10.831 30.415 3.514 669 HH22 ARG 85 HH22 ARG 85 11.013 32.133 3.703 670 H LEU 86 HN LEU 86 10.885 24.579 9.148 671 HA LEU 86 HA LEU 86 9.541 24.026 6.693 672 HB2 LEU 86 HB2 LEU 86 11.631 22.709 8.323 673 HB3 LEU 86 HB1 LEU 86 10.720 21.674 7.243 674 HG LEU 86 HG LEU 86 12.884 22.557 6.316 675 HD11 LEU 86 HD11 LEU 86 11.961 23.051 4.113 676 HD12 LEU 86 HD12 LEU 86 10.367 23.290 4.830 677 HD13 LEU 86 HD13 LEU 86 11.122 21.697 4.870 678 HD21 LEU 86 HD21 LEU 86 12.917 24.850 5.480 679 HD22 LEU 86 HD22 LEU 86 12.778 24.811 7.238 680 HD23 LEU 86 HD23 LEU 86 11.360 25.158 6.248 681 H ALA 87 HN ALA 87 9.044 23.053 10.004 682 HA ALA 87 HA ALA 87 7.473 20.765 9.573 683 HB1 ALA 87 HB1 ALA 87 7.303 22.720 11.862 684 HB2 ALA 87 HB2 ALA 87 8.422 21.361 11.753 685 HB3 ALA 87 HB3 ALA 87 6.686 21.067 11.853 686 H ALA 88 HN ALA 88 6.729 24.118 9.209 687 HA ALA 88 HA ALA 88 3.919 23.987 9.528 688 HB1 ALA 88 HB1 ALA 88 5.537 25.952 7.911 689 HB2 ALA 88 HB2 ALA 88 5.191 26.085 9.634 690 HB3 ALA 88 HB3 ALA 88 3.876 26.168 8.462 691 H GLN 89 HN GLN 89 6.025 23.061 6.962 692 HA GLN 89 HA GLN 89 3.796 22.888 5.061 693 HB2 GLN 89 HB2 GLN 89 6.778 22.835 4.782 694 HB3 GLN 89 HB1 GLN 89 5.789 22.084 3.540 695 HG2 GLN 89 HG2 GLN 89 6.416 24.366 2.951 696 HG3 GLN 89 HG1 GLN 89 4.671 24.189 3.114 697 HE21 GLN 89 HE21 GLN 89 7.555 25.548 4.500 698 HE22 GLN 89 HE22 GLN 89 6.762 26.651 5.567 699 H GLY 90 HN GLY 90 4.839 21.126 7.484 700 HA2 GLY 90 HA2 GLY 90 3.911 18.876 7.727 701 HA3 GLY 90 HA1 GLY 90 4.452 18.558 6.082 702 H TRP 91 HN TRP 91 5.148 16.967 8.339 703 HA TRP 91 HA TRP 91 8.053 17.361 8.230 704 HB2 TRP 91 HB2 TRP 91 7.046 18.191 10.429 705 HB3 TRP 91 HB1 TRP 91 6.681 16.504 10.776 706 HD1 TRP 91 HD1 TRP 91 8.571 15.118 11.868 707 HE1 TRP 91 HE1 TRP 91 11.071 15.514 12.372 708 HE3 TRP 91 HE3 TRP 91 9.205 19.524 9.356 709 HZ2 TRP 91 HZ2 TRP 91 13.038 17.446 11.770 710 HZ3 TRP 91 HZ3 TRP 91 11.425 20.580 9.365 711 HH2 TRP 91 HH2 TRP 91 13.302 19.559 10.549 712 HA PRO 92 HA PRO 92 7.125 13.070 7.127 713 HB2 PRO 92 HB2 PRO 92 8.905 12.887 5.116 714 HB3 PRO 92 HB1 PRO 92 7.343 13.688 4.925 715 HG2 PRO 92 HG2 PRO 92 10.051 14.865 5.207 716 HG3 PRO 92 HG1 PRO 92 8.641 15.479 4.332 717 HD2 PRO 92 HD2 PRO 92 9.532 16.302 6.875 718 HD3 PRO 92 HD1 PRO 92 7.980 16.700 6.118 719 H LEU 93 HN LEU 93 9.343 14.269 9.031 720 HA LEU 93 HA LEU 93 11.259 12.067 8.821 721 HB2 LEU 93 HB2 LEU 93 11.273 14.664 10.322 722 HB3 LEU 93 HB1 LEU 93 12.338 13.357 10.799 723 HG LEU 93 HG LEU 93 13.281 13.374 8.476 724 HD11 LEU 93 HD11 LEU 93 11.705 15.931 8.250 725 HD12 LEU 93 HD12 LEU 93 11.427 14.453 7.327 726 HD13 LEU 93 HD13 LEU 93 12.922 15.364 7.109 727 HD21 LEU 93 HD21 LEU 93 13.506 15.917 10.076 728 HD22 LEU 93 HD22 LEU 93 14.646 15.370 8.846 729 HD23 LEU 93 HD23 LEU 93 14.434 14.438 10.329 730 H ASP 94 HN ASP 94 8.365 12.161 9.906 731 HA ASP 94 HA ASP 94 8.704 11.212 12.615 732 HB2 ASP 94 HB2 ASP 94 6.674 12.455 11.939 733 HB3 ASP 94 HB1 ASP 94 6.276 11.174 10.801 734 H ASP 95 HN ASP 95 9.672 9.276 12.846 735 HA ASP 95 HA ASP 95 9.003 7.183 10.894 736 HB2 ASP 95 HB2 ASP 95 11.133 6.199 11.260 737 HB3 ASP 95 HB1 ASP 95 11.410 7.924 11.062 738 H VAL 96 HN VAL 96 9.608 4.910 12.059 739 HA VAL 96 HA VAL 96 7.385 4.635 13.865 740 HB VAL 96 HB VAL 96 9.292 2.530 12.836 741 HG11 VAL 96 HG11 VAL 96 7.538 0.935 13.450 742 HG12 VAL 96 HG12 VAL 96 6.586 2.250 14.140 743 HG13 VAL 96 HG13 VAL 96 8.139 1.815 14.855 744 HG21 VAL 96 HG21 VAL 96 7.523 1.996 11.227 745 HG22 VAL 96 HG22 VAL 96 8.121 3.643 11.018 746 HG23 VAL 96 HG23 VAL 96 6.576 3.361 11.822 747 H ARG 97 HN ARG 97 7.421 4.342 16.001 748 HA ARG 97 HA ARG 97 9.961 3.628 17.288 749 HB2 ARG 97 HB2 ARG 97 9.446 5.171 19.165 750 HB3 ARG 97 HB1 ARG 97 9.774 5.999 17.653 751 HG2 ARG 97 HG2 ARG 97 6.960 5.430 18.491 752 HG3 ARG 97 HG1 ARG 97 7.841 6.808 19.152 753 HD2 ARG 97 HD2 ARG 97 8.285 7.553 16.816 754 HD3 ARG 97 HD1 ARG 97 7.241 6.250 16.250 755 HE ARG 97 HE ARG 97 5.877 7.831 18.155 756 HH11 ARG 97 HH11 ARG 97 7.009 7.894 14.844 757 HH12 ARG 97 HH12 ARG 97 5.820 9.050 14.316 758 HH21 ARG 97 HH21 ARG 97 4.284 9.336 17.468 759 HH22 ARG 97 HH22 ARG 97 4.275 9.875 15.813 760 H ASP 98 HN ASP 98 9.067 3.542 19.906 761 HA ASP 98 HA ASP 98 7.905 0.991 19.976 762 HB2 ASP 98 HB2 ASP 98 8.337 3.056 22.124 763 HB3 ASP 98 HB1 ASP 98 7.627 1.483 22.466 764 H ARG 99 HN ARG 99 5.920 0.435 19.565 765 HA ARG 99 HA ARG 99 3.729 1.884 20.858 766 HB2 ARG 99 HB2 ARG 99 4.192 2.190 18.161 767 HB3 ARG 99 HB1 ARG 99 3.067 0.841 18.184 768 HG2 ARG 99 HG2 ARG 99 2.593 3.531 19.454 769 HG3 ARG 99 HG1 ARG 99 1.943 3.000 17.905 770 HD2 ARG 99 HD2 ARG 99 1.383 1.675 20.557 771 HD3 ARG 99 HD1 ARG 99 0.317 2.831 19.765 772 HE ARG 99 HE ARG 99 0.891 0.688 18.005 773 HH11 ARG 99 HH11 ARG 99 -0.924 1.419 20.913 774 HH12 ARG 99 HH12 ARG 99 -2.149 0.214 20.606 775 HH21 ARG 99 HH21 ARG 99 -0.684 -0.937 17.638 776 HH22 ARG 99 HH22 ARG 99 -2.005 -1.128 18.757 777 H GLU 100 HN GLU 100 5.159 -0.538 21.500 778 HA GLU 100 HA GLU 100 3.568 -2.741 20.572 779 HB2 GLU 100 HB2 GLU 100 4.910 -4.097 22.180 780 HB3 GLU 100 HB1 GLU 100 5.862 -3.223 20.992 781 HG2 GLU 100 HG2 GLU 100 6.508 -1.590 22.621 782 HG3 GLU 100 HG1 GLU 100 5.413 -2.289 23.816 783 H GLU 101 HN GLU 101 1.521 -2.017 21.192 784 HA GLU 101 HA GLU 101 0.928 -2.542 24.029 785 HB2 GLU 101 HB2 GLU 101 -0.675 -0.906 22.047 786 HB3 GLU 101 HB1 GLU 101 -1.117 -1.208 23.722 787 HG2 GLU 101 HG2 GLU 101 0.882 0.001 24.458 788 HG3 GLU 101 HG1 GLU 101 1.295 0.326 22.775 789 H HIS 102 HN HIS 102 -1.389 -3.440 24.260 790 HA HIS 102 HA HIS 102 -1.513 -5.756 22.503 791 HB2 HIS 102 HB2 HIS 102 -1.785 -5.693 25.113 792 HB3 HIS 102 HB1 HIS 102 -3.449 -5.258 24.738 793 HD1 HIS 102 HD1 HIS 102 -0.956 -8.035 24.132 794 HD2 HIS 102 HD2 HIS 102 -5.065 -7.374 24.073 795 HE1 HIS 102 HE1 HIS 102 -2.005 -10.300 23.818 796 HE2 HIS 102 HE2 HIS 102 -4.486 -9.872 23.700 797 H ALA 103 HN ALA 103 -2.714 -2.705 22.500 798 HA ALA 103 HA ALA 103 -4.804 -3.440 20.598 799 HB1 ALA 103 HB1 ALA 103 -6.341 -1.779 21.528 800 HB2 ALA 103 HB2 ALA 103 -5.197 -1.440 22.827 801 HB3 ALA 103 HB3 ALA 103 -5.962 -3.025 22.717 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 2.138 4.159 -9.626 2 H2 GLY 1 HT2 GLY 1 3.732 4.674 -9.376 3 H3 GLY 1 HT3 GLY 1 2.467 5.395 -8.515 4 HA2 GLY 1 HA1 GLY 1 2.002 3.271 -7.416 5 HA3 GLY 1 HA2 GLY 1 3.381 2.584 -8.265 6 H SER 2 HN SER 2 3.453 2.365 -5.626 7 HA SER 2 HA SER 2 4.691 4.606 -4.343 8 HB2 SER 2 HB2 SER 2 4.497 1.721 -3.446 9 HB3 SER 2 HB1 SER 2 4.925 3.098 -2.431 10 HG SER 2 HG SER 2 2.870 3.303 -2.101 11 H HIS 3 HN HIS 3 6.575 5.159 -5.331 12 HA HIS 3 HA HIS 3 8.757 3.206 -5.133 13 HB2 HIS 3 HB2 HIS 3 7.657 3.832 -7.546 14 HB3 HIS 3 HB1 HIS 3 8.903 5.069 -7.425 15 HD1 HIS 3 HD1 HIS 3 11.239 4.373 -8.025 16 HD2 HIS 3 HD2 HIS 3 8.719 1.126 -7.378 17 HE1 HIS 3 HE1 HIS 3 12.565 2.342 -8.687 18 HE2 HIS 3 HE2 HIS 3 11.070 0.380 -8.165 19 H MET 4 HN MET 4 10.908 4.278 -5.150 20 HA MET 4 HA MET 4 11.049 6.223 -3.175 21 HB2 MET 4 HB2 MET 4 13.113 5.447 -5.234 22 HB3 MET 4 HB1 MET 4 13.444 6.475 -3.848 23 HG2 MET 4 HG2 MET 4 12.821 4.654 -2.347 24 HG3 MET 4 HG1 MET 4 12.492 3.623 -3.738 25 HE1 MET 4 HE1 MET 4 15.215 5.493 -1.643 26 HE2 MET 4 HE2 MET 4 15.424 6.233 -3.230 27 HE3 MET 4 HE3 MET 4 16.680 5.183 -2.574 28 H ASN 5 HN ASN 5 10.982 6.638 -6.670 29 HA ASN 5 HA ASN 5 11.815 9.265 -6.904 30 HB2 ASN 5 HB2 ASN 5 11.388 7.996 -8.885 31 HB3 ASN 5 HB1 ASN 5 9.700 7.758 -8.446 32 HD21 ASN 5 HD21 ASN 5 12.060 10.018 -9.651 33 HD22 ASN 5 HD22 ASN 5 10.924 11.169 -10.267 34 H ARG 6 HN ARG 6 8.596 8.055 -6.050 35 HA ARG 6 HA ARG 6 7.253 10.527 -6.041 36 HB2 ARG 6 HB2 ARG 6 6.719 8.073 -4.355 37 HB3 ARG 6 HB1 ARG 6 5.601 9.408 -4.584 38 HG2 ARG 6 HG2 ARG 6 6.618 7.656 -6.810 39 HG3 ARG 6 HG1 ARG 6 5.105 7.387 -5.946 40 HD2 ARG 6 HD2 ARG 6 4.445 8.541 -7.852 41 HD3 ARG 6 HD1 ARG 6 4.532 9.800 -6.623 42 HE ARG 6 HE ARG 6 7.005 9.684 -7.922 43 HH11 ARG 6 HH11 ARG 6 3.685 10.513 -8.636 44 HH12 ARG 6 HH12 ARG 6 4.097 11.651 -9.884 45 HH21 ARG 6 HH21 ARG 6 7.565 11.159 -9.569 46 HH22 ARG 6 HH22 ARG 6 6.312 12.027 -10.406 47 H PHE 7 HN PHE 7 9.015 8.785 -3.535 48 HA PHE 7 HA PHE 7 8.439 10.598 -1.431 49 HB2 PHE 7 HB2 PHE 7 9.170 8.238 -1.096 50 HB3 PHE 7 HB1 PHE 7 10.769 8.681 -1.681 51 HD1 PHE 7 HD2 PHE 7 8.295 9.431 0.985 52 HD2 PHE 7 HD1 PHE 7 12.379 9.505 -0.211 53 HE1 PHE 7 HE2 PHE 7 8.949 10.059 3.273 54 HE2 PHE 7 HE1 PHE 7 13.040 10.134 2.074 55 HZ PHE 7 HZ PHE 7 11.326 10.412 3.818 56 H LEU 8 HN LEU 8 11.233 10.189 -3.592 57 HA LEU 8 HA LEU 8 12.839 12.217 -2.534 58 HB2 LEU 8 HB2 LEU 8 12.635 11.267 -5.393 59 HB3 LEU 8 HB1 LEU 8 13.932 12.260 -4.757 60 HG LEU 8 HG LEU 8 13.296 9.437 -3.893 61 HD11 LEU 8 HD11 LEU 8 15.402 8.870 -4.994 62 HD12 LEU 8 HD12 LEU 8 15.567 10.539 -5.541 63 HD13 LEU 8 HD13 LEU 8 14.238 9.543 -6.135 64 HD21 LEU 8 HD21 LEU 8 14.207 10.756 -2.061 65 HD22 LEU 8 HD22 LEU 8 15.542 11.285 -3.086 66 HD23 LEU 8 HD23 LEU 8 15.393 9.585 -2.636 67 H THR 9 HN THR 9 10.429 12.350 -5.132 68 HA THR 9 HA THR 9 10.733 15.074 -5.746 69 HB THR 9 HB THR 9 8.197 13.437 -5.990 70 HG1 THR 9 HG1 THR 9 9.838 12.352 -7.074 71 HG21 THR 9 HG21 THR 9 7.692 14.953 -7.849 72 HG22 THR 9 HG22 THR 9 9.175 15.849 -7.525 73 HG23 THR 9 HG23 THR 9 7.874 15.841 -6.336 74 H SER 10 HN SER 10 8.657 13.401 -3.409 75 HA SER 10 HA SER 10 7.180 15.644 -2.576 76 HB2 SER 10 HB2 SER 10 6.584 13.262 -2.087 77 HB3 SER 10 HB1 SER 10 7.900 13.214 -0.916 78 HG SER 10 HG SER 10 6.568 15.313 -0.238 79 H ILE 11 HN ILE 11 10.237 14.271 -1.421 80 HA ILE 11 HA ILE 11 10.573 16.011 0.775 81 HB ILE 11 HB ILE 11 12.638 14.535 -0.863 82 HG12 ILE 11 HG12 ILE 11 11.055 13.076 0.296 83 HG13 ILE 11 HG11 ILE 11 12.646 12.971 1.043 84 HG21 ILE 11 HG21 ILE 11 12.973 15.932 1.788 85 HG22 ILE 11 HG22 ILE 11 13.681 16.427 0.251 86 HG23 ILE 11 HG23 ILE 11 14.179 14.911 1.003 87 HD11 ILE 11 HD11 ILE 11 11.896 14.465 2.828 88 HD12 ILE 11 HD12 ILE 11 10.897 13.016 2.718 89 HD13 ILE 11 HD13 ILE 11 10.301 14.547 2.081 90 H VAL 12 HN VAL 12 11.883 16.157 -2.533 91 HA VAL 12 HA VAL 12 13.248 18.573 -2.325 92 HB VAL 12 HB VAL 12 11.845 17.372 -4.722 93 HG11 VAL 12 HG11 VAL 12 13.250 18.833 -6.096 94 HG12 VAL 12 HG12 VAL 12 13.851 19.622 -4.638 95 HG13 VAL 12 HG13 VAL 12 12.149 19.761 -5.079 96 HG21 VAL 12 HG21 VAL 12 14.722 17.323 -3.818 97 HG22 VAL 12 HG22 VAL 12 14.146 16.711 -5.366 98 HG23 VAL 12 HG23 VAL 12 13.607 15.961 -3.864 99 H ALA 13 HN ALA 13 9.857 17.977 -3.222 100 HA ALA 13 HA ALA 13 9.130 20.662 -3.651 101 HB1 ALA 13 HB1 ALA 13 6.830 19.900 -3.423 102 HB2 ALA 13 HB2 ALA 13 7.388 18.385 -2.713 103 HB3 ALA 13 HB3 ALA 13 7.767 18.765 -4.393 104 H TRP 14 HN TRP 14 9.040 18.640 -0.750 105 HA TRP 14 HA TRP 14 7.845 20.477 0.995 106 HB2 TRP 14 HB2 TRP 14 8.036 18.173 1.630 107 HB3 TRP 14 HB1 TRP 14 9.785 18.206 1.462 108 HD1 TRP 14 HD1 TRP 14 7.446 20.504 3.558 109 HE1 TRP 14 HE1 TRP 14 8.295 20.477 5.990 110 HE3 TRP 14 HE3 TRP 14 11.293 17.189 3.030 111 HZ2 TRP 14 HZ2 TRP 14 10.330 19.213 7.480 112 HZ3 TRP 14 HZ3 TRP 14 12.643 16.623 5.005 113 HH2 TRP 14 HH2 TRP 14 12.170 17.616 7.183 114 H LEU 15 HN LEU 15 11.266 19.867 0.275 115 HA LEU 15 HA LEU 15 12.323 21.677 2.140 116 HB2 LEU 15 HB2 LEU 15 13.528 20.768 -0.473 117 HB3 LEU 15 HB1 LEU 15 14.398 21.540 0.838 118 HG LEU 15 HG LEU 15 13.130 18.804 0.853 119 HD11 LEU 15 HD11 LEU 15 15.278 18.933 -0.273 120 HD12 LEU 15 HD12 LEU 15 15.423 18.056 1.250 121 HD13 LEU 15 HD13 LEU 15 15.987 19.723 1.135 122 HD21 LEU 15 HD21 LEU 15 13.985 18.605 3.151 123 HD22 LEU 15 HD22 LEU 15 12.736 19.843 3.009 124 HD23 LEU 15 HD23 LEU 15 14.435 20.310 3.122 125 H ARG 16 HN ARG 16 11.633 22.106 -1.338 126 HA ARG 16 HA ARG 16 12.555 24.790 -1.381 127 HB2 ARG 16 HB2 ARG 16 11.522 24.974 -3.563 128 HB3 ARG 16 HB1 ARG 16 12.348 23.431 -3.427 129 HG2 ARG 16 HG2 ARG 16 10.187 22.340 -2.988 130 HG3 ARG 16 HG1 ARG 16 9.382 23.896 -3.200 131 HD2 ARG 16 HD2 ARG 16 11.010 22.428 -5.272 132 HD3 ARG 16 HD1 ARG 16 9.253 22.560 -5.233 133 HE ARG 16 HE ARG 16 10.780 25.050 -5.361 134 HH11 ARG 16 HH11 ARG 16 8.815 22.654 -7.001 135 HH12 ARG 16 HH12 ARG 16 8.543 23.649 -8.403 136 HH21 ARG 16 HH21 ARG 16 10.410 26.366 -7.182 137 HH22 ARG 16 HH22 ARG 16 9.433 25.779 -8.499 138 H ALA 17 HN ALA 17 9.387 23.337 -0.796 139 HA ALA 17 HA ALA 17 7.905 25.744 -0.748 140 HB1 ALA 17 HB1 ALA 17 6.851 23.537 -0.918 141 HB2 ALA 17 HB2 ALA 17 6.199 24.468 0.433 142 HB3 ALA 17 HB3 ALA 17 7.358 23.173 0.732 143 H GLY 18 HN GLY 18 9.863 24.082 1.631 144 HA2 GLY 18 HA2 GLY 18 9.101 25.604 3.891 145 HA3 GLY 18 HA1 GLY 18 10.612 24.728 3.702 146 H TYR 19 HN TYR 19 11.271 26.300 1.235 147 HA TYR 19 HA TYR 19 11.757 28.940 2.412 148 HB2 TYR 19 HB2 TYR 19 13.893 27.063 1.402 149 HB3 TYR 19 HB1 TYR 19 14.147 28.801 1.513 150 HD1 TYR 19 HD2 TYR 19 14.064 29.906 3.753 151 HD2 TYR 19 HD1 TYR 19 14.027 25.674 3.321 152 HE1 TYR 19 HE2 TYR 19 14.716 29.670 6.109 153 HE2 TYR 19 HE1 TYR 19 14.670 25.421 5.681 154 HH TYR 19 HH TYR 19 15.882 26.868 7.431 155 HA PRO 20 HA PRO 20 10.313 29.168 -1.966 156 HB2 PRO 20 HB2 PRO 20 8.840 31.436 -1.585 157 HB3 PRO 20 HB1 PRO 20 8.216 29.806 -1.305 158 HG2 PRO 20 HG2 PRO 20 9.271 31.796 0.664 159 HG3 PRO 20 HG1 PRO 20 7.860 30.730 0.796 160 HD2 PRO 20 HD2 PRO 20 10.211 30.172 2.001 161 HD3 PRO 20 HD1 PRO 20 9.138 28.900 1.379 162 H GLU 21 HN GLU 21 11.792 31.488 0.179 163 HA GLU 21 HA GLU 21 12.511 33.360 -1.893 164 HB2 GLU 21 HB2 GLU 21 13.773 33.197 0.838 165 HB3 GLU 21 HB1 GLU 21 13.573 34.609 -0.186 166 HG2 GLU 21 HG2 GLU 21 11.376 33.136 1.245 167 HG3 GLU 21 HG1 GLU 21 12.087 34.675 1.727 168 H GLY 22 HN GLY 22 13.614 30.367 -0.974 169 HA2 GLY 22 HA2 GLY 22 15.591 29.386 -1.972 170 HA3 GLY 22 HA1 GLY 22 16.378 30.954 -1.810 171 H ILE 23 HN ILE 23 17.578 28.676 -0.792 172 HA ILE 23 HA ILE 23 16.938 28.692 2.062 173 HB ILE 23 HB ILE 23 18.693 26.766 0.523 174 HG12 ILE 23 HG12 ILE 23 16.790 25.156 1.231 175 HG13 ILE 23 HG11 ILE 23 15.836 26.615 1.465 176 HG21 ILE 23 HG21 ILE 23 18.638 25.419 2.579 177 HG22 ILE 23 HG22 ILE 23 17.782 26.728 3.395 178 HG23 ILE 23 HG23 ILE 23 19.429 26.976 2.814 179 HD11 ILE 23 HD11 ILE 23 16.138 27.199 -0.875 180 HD12 ILE 23 HD12 ILE 23 15.429 25.593 -0.708 181 HD13 ILE 23 HD13 ILE 23 17.139 25.766 -1.113 182 HA PRO 24 HA PRO 24 20.580 31.245 2.639 183 HB2 PRO 24 HB2 PRO 24 19.966 31.042 5.478 184 HB3 PRO 24 HB1 PRO 24 19.901 32.462 4.431 185 HG2 PRO 24 HG2 PRO 24 17.685 31.273 5.473 186 HG3 PRO 24 HG1 PRO 24 17.682 32.149 3.936 187 HD2 PRO 24 HD2 PRO 24 17.758 29.207 4.442 188 HD3 PRO 24 HD1 PRO 24 16.893 30.115 3.184 189 HA PRO 25 HA PRO 25 23.645 28.163 3.414 190 HB2 PRO 25 HB2 PRO 25 25.119 30.358 4.785 191 HB3 PRO 25 HB1 PRO 25 25.653 29.277 3.495 192 HG2 PRO 25 HG2 PRO 25 25.007 31.803 2.972 193 HG3 PRO 25 HG1 PRO 25 24.588 30.501 1.846 194 HD2 PRO 25 HD2 PRO 25 22.847 32.002 3.745 195 HD3 PRO 25 HD1 PRO 25 22.471 31.355 2.135 196 H THR 26 HN THR 26 22.946 30.382 6.080 197 HA THR 26 HA THR 26 23.986 28.885 8.189 198 HB THR 26 HB THR 26 22.197 30.157 9.539 199 HG1 THR 26 HG1 THR 26 20.666 30.899 8.242 200 HG21 THR 26 HG21 THR 26 24.517 30.923 9.315 201 HG22 THR 26 HG22 THR 26 23.397 32.284 9.288 202 HG23 THR 26 HG23 THR 26 24.116 31.703 7.786 203 H ASP 27 HN ASP 27 20.630 29.087 7.048 204 HA ASP 27 HA ASP 27 19.758 26.981 8.779 205 HB2 ASP 27 HB2 ASP 27 18.318 28.276 6.451 206 HB3 ASP 27 HB1 ASP 27 17.582 27.287 7.710 207 H SER 28 HN SER 28 21.110 27.152 5.643 208 HA SER 28 HA SER 28 19.983 24.835 4.495 209 HB2 SER 28 HB2 SER 28 21.225 26.615 3.245 210 HB3 SER 28 HB1 SER 28 22.721 25.999 3.946 211 HG SER 28 HG SER 28 21.655 23.894 2.973 212 H PHE 29 HN PHE 29 22.865 25.361 6.478 213 HA PHE 29 HA PHE 29 23.760 22.667 6.376 214 HB2 PHE 29 HB2 PHE 29 24.287 24.910 8.331 215 HB3 PHE 29 HB1 PHE 29 25.019 23.319 8.496 216 HD1 PHE 29 HD2 PHE 29 24.537 24.412 5.099 217 HD2 PHE 29 HD1 PHE 29 27.179 24.586 8.428 218 HE1 PHE 29 HE2 PHE 29 26.364 25.097 3.606 219 HE2 PHE 29 HE1 PHE 29 29.013 25.268 6.939 220 HZ PHE 29 HZ PHE 29 28.608 25.527 4.524 221 H ALA 30 HN ALA 30 21.520 24.444 8.360 222 HA ALA 30 HA ALA 30 20.993 22.405 10.252 223 HB1 ALA 30 HB1 ALA 30 18.954 23.691 10.727 224 HB2 ALA 30 HB2 ALA 30 19.256 24.678 9.300 225 HB3 ALA 30 HB3 ALA 30 20.382 24.720 10.657 226 H VAL 31 HN VAL 31 19.581 23.259 7.117 227 HA VAL 31 HA VAL 31 17.527 21.374 7.012 228 HB VAL 31 HB VAL 31 19.244 22.391 4.734 229 HG11 VAL 31 HG11 VAL 31 16.589 20.958 4.644 230 HG12 VAL 31 HG12 VAL 31 18.139 20.313 4.105 231 HG13 VAL 31 HG13 VAL 31 17.412 21.681 3.263 232 HG21 VAL 31 HG21 VAL 31 18.057 24.171 5.879 233 HG22 VAL 31 HG22 VAL 31 16.541 23.281 5.734 234 HG23 VAL 31 HG23 VAL 31 17.350 23.888 4.288 235 H LEU 32 HN LEU 32 20.909 21.078 5.910 236 HA LEU 32 HA LEU 32 20.656 18.395 5.085 237 HB2 LEU 32 HB2 LEU 32 22.992 18.362 4.794 238 HB3 LEU 32 HB1 LEU 32 22.465 19.978 4.386 239 HG LEU 32 HG LEU 32 23.159 20.495 6.876 240 HD11 LEU 32 HD11 LEU 32 24.958 18.177 6.211 241 HD12 LEU 32 HD12 LEU 32 23.614 18.102 7.348 242 HD13 LEU 32 HD13 LEU 32 24.984 19.170 7.672 243 HD21 LEU 32 HD21 LEU 32 25.180 20.091 4.675 244 HD22 LEU 32 HD22 LEU 32 25.361 21.141 6.082 245 HD23 LEU 32 HD23 LEU 32 24.137 21.499 4.865 246 H ALA 33 HN ALA 33 21.553 19.837 8.175 247 HA ALA 33 HA ALA 33 22.285 17.461 9.491 248 HB1 ALA 33 HB1 ALA 33 21.004 19.921 10.673 249 HB2 ALA 33 HB2 ALA 33 22.729 19.697 10.390 250 HB3 ALA 33 HB3 ALA 33 21.887 18.679 11.558 251 H LEU 34 HN LEU 34 19.160 19.086 9.179 252 HA LEU 34 HA LEU 34 17.740 17.236 10.802 253 HB2 LEU 34 HB2 LEU 34 17.073 19.612 10.242 254 HB3 LEU 34 HB1 LEU 34 16.617 19.034 8.653 255 HG LEU 34 HG LEU 34 14.754 19.356 10.363 256 HD11 LEU 34 HD11 LEU 34 15.047 16.668 9.034 257 HD12 LEU 34 HD12 LEU 34 14.405 18.136 8.293 258 HD13 LEU 34 HD13 LEU 34 13.538 17.367 9.623 259 HD21 LEU 34 HD21 LEU 34 14.384 17.501 11.916 260 HD22 LEU 34 HD22 LEU 34 15.881 18.362 12.276 261 HD23 LEU 34 HD23 LEU 34 15.937 16.805 11.451 262 H LEU 35 HN LEU 35 18.138 17.611 7.296 263 HA LEU 35 HA LEU 35 16.349 15.519 6.633 264 HB2 LEU 35 HB2 LEU 35 17.023 17.397 5.125 265 HB3 LEU 35 HB1 LEU 35 18.587 16.628 4.943 266 HG LEU 35 HG LEU 35 17.518 14.674 3.909 267 HD11 LEU 35 HD11 LEU 35 15.362 14.786 5.037 268 HD12 LEU 35 HD12 LEU 35 15.155 14.757 3.287 269 HD13 LEU 35 HD13 LEU 35 14.973 16.272 4.171 270 HD21 LEU 35 HD21 LEU 35 18.310 16.487 2.490 271 HD22 LEU 35 HD22 LEU 35 16.753 17.302 2.643 272 HD23 LEU 35 HD23 LEU 35 16.858 15.750 1.812 273 H CYS 36 HN CYS 36 19.756 15.604 7.403 274 HA CYS 36 HA CYS 36 20.447 13.037 6.430 275 HB2 CYS 36 HB2 CYS 36 22.109 14.764 7.079 276 HB3 CYS 36 HB1 CYS 36 21.650 14.546 8.764 277 HG CYS 36 HG CYS 36 22.334 11.582 7.906 278 H ARG 37 HN ARG 37 18.548 14.053 9.071 279 HA ARG 37 HA ARG 37 18.890 11.622 10.614 280 HB2 ARG 37 HB2 ARG 37 16.892 13.874 10.939 281 HB3 ARG 37 HB1 ARG 37 17.202 12.592 12.104 282 HG2 ARG 37 HG2 ARG 37 19.431 13.405 12.486 283 HG3 ARG 37 HG1 ARG 37 19.251 14.606 11.207 284 HD2 ARG 37 HD2 ARG 37 18.966 15.678 13.341 285 HD3 ARG 37 HD1 ARG 37 17.419 15.650 12.499 286 HE ARG 37 HE ARG 37 17.712 13.412 14.249 287 HH11 ARG 37 HH11 ARG 37 16.954 16.829 14.159 288 HH12 ARG 37 HH12 ARG 37 15.997 16.804 15.615 289 HH21 ARG 37 HH21 ARG 37 16.465 13.375 16.202 290 HH22 ARG 37 HH22 ARG 37 15.755 14.859 16.792 291 H ARG 38 HN ARG 38 17.317 12.433 7.847 292 HA ARG 38 HA ARG 38 15.183 10.448 8.285 293 HB2 ARG 38 HB2 ARG 38 14.452 12.825 7.813 294 HB3 ARG 38 HB1 ARG 38 15.186 12.661 6.225 295 HG2 ARG 38 HG2 ARG 38 12.703 12.302 6.327 296 HG3 ARG 38 HG1 ARG 38 13.630 10.999 5.576 297 HD2 ARG 38 HD2 ARG 38 13.404 9.608 7.425 298 HD3 ARG 38 HD1 ARG 38 12.968 10.937 8.495 299 HE ARG 38 HE ARG 38 10.944 10.813 6.646 300 HH11 ARG 38 HH11 ARG 38 12.410 8.568 8.893 301 HH12 ARG 38 HH12 ARG 38 10.928 7.713 9.203 302 HH21 ARG 38 HH21 ARG 38 8.970 9.713 7.100 303 HH22 ARG 38 HH22 ARG 38 8.978 8.369 8.205 304 H LEU 39 HN LEU 39 17.487 11.774 5.962 305 HA LEU 39 HA LEU 39 17.617 9.138 4.668 306 HB2 LEU 39 HB2 LEU 39 17.630 11.846 3.329 307 HB3 LEU 39 HB1 LEU 39 18.008 10.340 2.515 308 HG LEU 39 HG LEU 39 15.349 10.902 3.834 309 HD11 LEU 39 HD11 LEU 39 15.717 12.463 1.991 310 HD12 LEU 39 HD12 LEU 39 14.493 11.265 1.570 311 HD13 LEU 39 HD13 LEU 39 16.128 11.120 0.925 312 HD21 LEU 39 HD21 LEU 39 14.599 8.992 2.502 313 HD22 LEU 39 HD22 LEU 39 15.892 8.538 3.612 314 HD23 LEU 39 HD23 LEU 39 16.240 8.766 1.897 315 H SER 40 HN SER 40 19.694 8.721 3.630 316 HA SER 40 HA SER 40 21.799 9.583 5.368 317 HB2 SER 40 HB2 SER 40 23.048 8.028 3.530 318 HB3 SER 40 HB1 SER 40 22.199 7.405 4.945 319 HG SER 40 HG SER 40 21.233 7.649 2.278 320 H HIS 41 HN HIS 41 24.052 9.860 4.210 321 HA HIS 41 HA HIS 41 23.954 12.517 3.359 322 HB2 HIS 41 HB2 HIS 41 26.384 12.373 3.075 323 HB3 HIS 41 HB1 HIS 41 25.858 11.652 4.588 324 HD1 HIS 41 HD1 HIS 41 26.511 9.247 5.008 325 HD2 HIS 41 HD2 HIS 41 27.257 10.466 1.101 326 HE1 HIS 41 HE1 HIS 41 27.874 7.405 3.968 327 HE2 HIS 41 HE2 HIS 41 28.257 8.132 1.581 328 H ASP 42 HN ASP 42 24.070 9.583 1.420 329 HA ASP 42 HA ASP 42 24.828 11.011 -0.955 330 HB2 ASP 42 HB2 ASP 42 24.018 8.216 -0.359 331 HB3 ASP 42 HB1 ASP 42 23.818 8.788 -2.014 332 H GLU 43 HN GLU 43 21.783 9.963 0.467 333 HA GLU 43 HA GLU 43 20.122 10.749 -1.661 334 HB2 GLU 43 HB2 GLU 43 19.650 10.427 1.291 335 HB3 GLU 43 HB1 GLU 43 18.383 11.028 0.233 336 HG2 GLU 43 HG2 GLU 43 17.914 8.783 0.353 337 HG3 GLU 43 HG1 GLU 43 18.833 8.897 -1.144 338 H VAL 44 HN VAL 44 21.133 12.488 1.280 339 HA VAL 44 HA VAL 44 19.795 14.890 0.573 340 HB VAL 44 HB VAL 44 21.090 15.997 2.309 341 HG11 VAL 44 HG11 VAL 44 20.226 13.223 3.115 342 HG12 VAL 44 HG12 VAL 44 19.194 14.650 3.000 343 HG13 VAL 44 HG13 VAL 44 20.471 14.581 4.215 344 HG21 VAL 44 HG21 VAL 44 23.278 15.024 1.904 345 HG22 VAL 44 HG22 VAL 44 22.699 13.451 2.455 346 HG23 VAL 44 HG23 VAL 44 22.806 14.797 3.590 347 H LYS 45 HN LYS 45 23.021 13.650 -0.113 348 HA LYS 45 HA LYS 45 24.155 15.911 -1.296 349 HB2 LYS 45 HB2 LYS 45 25.499 13.963 -0.885 350 HB3 LYS 45 HB1 LYS 45 24.485 12.969 -1.915 351 HG2 LYS 45 HG2 LYS 45 25.216 14.589 -3.793 352 HG3 LYS 45 HG1 LYS 45 26.511 15.028 -2.676 353 HD2 LYS 45 HD2 LYS 45 25.901 12.227 -3.620 354 HD3 LYS 45 HD1 LYS 45 27.179 13.259 -4.262 355 HE2 LYS 45 HE2 LYS 45 28.287 13.286 -2.113 356 HE3 LYS 45 HE1 LYS 45 26.965 12.370 -1.387 357 HZ1 LYS 45 HZ1 LYS 45 29.008 11.069 -2.026 358 HZ2 LYS 45 HZ2 LYS 45 28.573 11.318 -3.647 359 HZ3 LYS 45 HZ3 LYS 45 27.533 10.458 -2.609 360 H ALA 46 HN ALA 46 22.221 13.319 -2.748 361 HA ALA 46 HA ALA 46 22.281 14.267 -5.383 362 HB1 ALA 46 HB1 ALA 46 20.416 12.756 -5.788 363 HB2 ALA 46 HB2 ALA 46 20.148 12.597 -4.052 364 HB3 ALA 46 HB3 ALA 46 21.634 11.981 -4.775 365 H VAL 47 HN VAL 47 19.761 14.635 -2.887 366 HA VAL 47 HA VAL 47 18.002 16.155 -4.446 367 HB VAL 47 HB VAL 47 18.326 15.906 -1.471 368 HG11 VAL 47 HG11 VAL 47 17.500 18.110 -1.665 369 HG12 VAL 47 HG12 VAL 47 16.097 17.092 -1.331 370 HG13 VAL 47 HG13 VAL 47 16.409 17.659 -2.969 371 HG21 VAL 47 HG21 VAL 47 16.164 14.760 -1.667 372 HG22 VAL 47 HG22 VAL 47 17.412 13.995 -2.652 373 HG23 VAL 47 HG23 VAL 47 16.200 15.027 -3.410 374 H ALA 48 HN ALA 48 20.530 17.243 -2.171 375 HA ALA 48 HA ALA 48 19.981 19.981 -2.362 376 HB1 ALA 48 HB1 ALA 48 21.464 19.025 -0.659 377 HB2 ALA 48 HB2 ALA 48 22.240 20.347 -1.532 378 HB3 ALA 48 HB3 ALA 48 22.662 18.675 -1.905 379 H ASN 49 HN ASN 49 22.163 17.943 -4.282 380 HA ASN 49 HA ASN 49 23.263 20.029 -5.818 381 HB2 ASN 49 HB2 ASN 49 24.303 17.803 -5.648 382 HB3 ASN 49 HB1 ASN 49 22.964 17.110 -6.556 383 HD21 ASN 49 HD21 ASN 49 25.782 19.153 -6.721 384 HD22 ASN 49 HD22 ASN 49 25.928 19.151 -8.442 385 H GLU 50 HN GLU 50 20.555 17.800 -6.527 386 HA GLU 50 HA GLU 50 20.140 18.905 -9.116 387 HB2 GLU 50 HB2 GLU 50 18.107 17.580 -9.207 388 HB3 GLU 50 HB1 GLU 50 19.436 16.621 -8.582 389 HG2 GLU 50 HG2 GLU 50 18.582 16.934 -6.309 390 HG3 GLU 50 HG1 GLU 50 17.227 17.857 -6.963 391 H LEU 51 HN LEU 51 18.717 19.537 -5.945 392 HA LEU 51 HA LEU 51 16.650 21.229 -6.854 393 HB2 LEU 51 HB2 LEU 51 16.913 20.180 -4.549 394 HB3 LEU 51 HB1 LEU 51 18.073 21.448 -4.201 395 HG LEU 51 HG LEU 51 15.684 21.764 -3.348 396 HD11 LEU 51 HD11 LEU 51 15.691 24.168 -3.798 397 HD12 LEU 51 HD12 LEU 51 16.920 23.929 -5.040 398 HD13 LEU 51 HD13 LEU 51 17.292 23.578 -3.351 399 HD21 LEU 51 HD21 LEU 51 15.223 22.422 -6.251 400 HD22 LEU 51 HD22 LEU 51 14.092 22.722 -4.932 401 HD23 LEU 51 HD23 LEU 51 14.521 21.068 -5.368 402 H MET 52 HN MET 52 20.002 21.841 -5.878 403 HA MET 52 HA MET 52 19.981 24.637 -6.169 404 HB2 MET 52 HB2 MET 52 22.195 22.614 -6.484 405 HB3 MET 52 HB1 MET 52 22.469 24.337 -6.678 406 HG2 MET 52 HG2 MET 52 21.663 24.688 -4.374 407 HG3 MET 52 HG1 MET 52 21.510 22.939 -4.196 408 HE1 MET 52 HE1 MET 52 23.242 24.951 -2.321 409 HE2 MET 52 HE2 MET 52 24.654 23.936 -2.026 410 HE3 MET 52 HE3 MET 52 23.039 23.229 -1.998 411 H ARG 53 HN ARG 53 20.672 22.066 -8.513 412 HA ARG 53 HA ARG 53 21.447 23.889 -10.557 413 HB2 ARG 53 HB2 ARG 53 22.216 21.504 -10.374 414 HB3 ARG 53 HB1 ARG 53 20.617 21.011 -10.915 415 HG2 ARG 53 HG2 ARG 53 22.293 21.055 -12.727 416 HG3 ARG 53 HG1 ARG 53 20.923 22.130 -13.022 417 HD2 ARG 53 HD2 ARG 53 22.301 23.994 -12.072 418 HD3 ARG 53 HD1 ARG 53 23.672 22.887 -12.048 419 HE ARG 53 HE ARG 53 23.640 22.850 -14.433 420 HH11 ARG 53 HH11 ARG 53 21.401 25.143 -12.996 421 HH12 ARG 53 HH12 ARG 53 21.352 26.170 -14.393 422 HH21 ARG 53 HH21 ARG 53 23.565 24.213 -16.290 423 HH22 ARG 53 HH22 ARG 53 22.574 25.647 -16.256 424 H LEU 54 HN LEU 54 18.432 22.173 -9.835 425 HA LEU 54 HA LEU 54 17.193 22.951 -12.303 426 HB2 LEU 54 HB2 LEU 54 16.035 21.796 -9.772 427 HB3 LEU 54 HB1 LEU 54 15.117 22.067 -11.239 428 HG LEU 54 HG LEU 54 17.477 20.203 -10.974 429 HD11 LEU 54 HD11 LEU 54 15.816 18.427 -11.248 430 HD12 LEU 54 HD12 LEU 54 14.526 19.630 -11.230 431 HD13 LEU 54 HD13 LEU 54 15.516 19.376 -9.793 432 HD21 LEU 54 HD21 LEU 54 15.611 20.712 -13.288 433 HD22 LEU 54 HD22 LEU 54 16.856 19.465 -13.224 434 HD23 LEU 54 HD23 LEU 54 17.311 21.169 -13.203 435 H GLY 55 HN GLY 55 17.298 24.249 -9.051 436 HA2 GLY 55 HA2 GLY 55 15.551 26.451 -9.970 437 HA3 GLY 55 HA1 GLY 55 15.612 25.893 -8.302 438 H ASP 56 HN ASP 56 16.279 27.761 -7.348 439 HA ASP 56 HA ASP 56 19.059 28.498 -7.947 440 HB2 ASP 56 HB2 ASP 56 16.788 30.385 -7.292 441 HB3 ASP 56 HB1 ASP 56 18.486 30.847 -7.239 442 H PHE 57 HN PHE 57 20.370 28.674 -6.253 443 HA PHE 57 HA PHE 57 19.269 28.400 -3.541 444 HB2 PHE 57 HB2 PHE 57 20.131 26.226 -4.910 445 HB3 PHE 57 HB1 PHE 57 21.665 26.786 -4.270 446 HD1 PHE 57 HD1 PHE 57 21.733 27.174 -1.681 447 HD2 PHE 57 HD2 PHE 57 18.821 24.812 -3.677 448 HE1 PHE 57 HE1 PHE 57 21.308 25.950 0.406 449 HE2 PHE 57 HE2 PHE 57 18.380 23.587 -1.591 450 HZ PHE 57 HZ PHE 57 19.627 24.155 0.454 451 H ASP 58 HN ASP 58 21.442 28.450 -2.037 452 HA ASP 58 HA ASP 58 23.035 30.710 -2.977 453 HB2 ASP 58 HB2 ASP 58 22.061 30.531 -0.589 454 HB3 ASP 58 HB1 ASP 58 23.325 29.340 -0.302 455 H GLN 59 HN GLN 59 25.277 30.544 -3.311 456 HA GLN 59 HA GLN 59 26.056 27.951 -4.246 457 HB2 GLN 59 HB2 GLN 59 27.291 30.674 -4.326 458 HB3 GLN 59 HB1 GLN 59 28.273 29.266 -4.700 459 HG2 GLN 59 HG2 GLN 59 27.346 30.337 -6.702 460 HG3 GLN 59 HG1 GLN 59 26.816 28.668 -6.519 461 HE21 GLN 59 HE21 GLN 59 25.865 32.011 -6.433 462 HE22 GLN 59 HE22 GLN 59 24.157 31.728 -6.456 463 H ILE 60 HN ILE 60 26.022 26.803 -2.286 464 HA ILE 60 HA ILE 60 28.576 26.989 -0.847 465 HB ILE 60 HB ILE 60 27.341 26.121 1.194 466 HG12 ILE 60 HG12 ILE 60 24.935 27.166 -0.313 467 HG13 ILE 60 HG11 ILE 60 25.270 25.467 0.005 468 HG21 ILE 60 HG21 ILE 60 26.625 28.352 1.912 469 HG22 ILE 60 HG22 ILE 60 26.699 28.908 0.241 470 HG23 ILE 60 HG23 ILE 60 28.171 28.399 1.065 471 HD11 ILE 60 HD11 ILE 60 23.612 26.368 1.541 472 HD12 ILE 60 HD12 ILE 60 24.770 27.580 2.090 473 HD13 ILE 60 HD13 ILE 60 25.073 25.869 2.395 474 H ASP 61 HN ASP 61 29.613 25.061 -0.588 475 HA ASP 61 HA ASP 61 28.519 22.805 -2.007 476 HB2 ASP 61 HB2 ASP 61 30.736 21.724 -1.203 477 HB3 ASP 61 HB1 ASP 61 30.797 23.000 -2.408 478 H ILE 62 HN ILE 62 26.742 22.256 -0.785 479 HA ILE 62 HA ILE 62 26.853 21.518 1.946 480 HB ILE 62 HB ILE 62 24.900 20.696 -0.212 481 HG12 ILE 62 HG12 ILE 62 24.745 22.840 1.918 482 HG13 ILE 62 HG11 ILE 62 25.012 23.119 0.200 483 HG21 ILE 62 HG21 ILE 62 23.373 20.132 1.634 484 HG22 ILE 62 HG22 ILE 62 24.675 20.432 2.786 485 HG23 ILE 62 HG23 ILE 62 24.813 19.113 1.624 486 HD11 ILE 62 HD11 ILE 62 22.539 21.929 1.433 487 HD12 ILE 62 HD12 ILE 62 22.805 22.207 -0.289 488 HD13 ILE 62 HD13 ILE 62 22.715 23.574 0.821 489 H GLY 63 HN GLY 63 27.536 19.856 -1.036 490 HA2 GLY 63 HA2 GLY 63 27.409 17.193 -0.196 491 HA3 GLY 63 HA1 GLY 63 28.433 17.796 -1.491 492 H VAL 64 HN VAL 64 29.896 19.606 0.295 493 HA VAL 64 HA VAL 64 31.860 17.732 1.216 494 HB VAL 64 HB VAL 64 31.711 20.747 1.373 495 HG11 VAL 64 HG11 VAL 64 33.038 19.898 3.245 496 HG12 VAL 64 HG12 VAL 64 34.059 20.705 2.055 497 HG13 VAL 64 HG13 VAL 64 34.012 18.943 2.127 498 HG21 VAL 64 HG21 VAL 64 31.980 19.856 -0.873 499 HG22 VAL 64 HG22 VAL 64 33.349 18.882 -0.342 500 HG23 VAL 64 HG23 VAL 64 33.467 20.641 -0.341 501 H VAL 65 HN VAL 65 29.528 19.919 2.717 502 HA VAL 65 HA VAL 65 30.426 19.582 5.378 503 HB VAL 65 HB VAL 65 27.639 20.335 4.480 504 HG11 VAL 65 HG11 VAL 65 27.765 19.768 6.840 505 HG12 VAL 65 HG12 VAL 65 27.520 21.503 6.633 506 HG13 VAL 65 HG13 VAL 65 29.117 20.882 7.052 507 HG21 VAL 65 HG21 VAL 65 29.268 21.786 3.413 508 HG22 VAL 65 HG22 VAL 65 30.036 22.100 4.970 509 HG23 VAL 65 HG23 VAL 65 28.391 22.666 4.668 510 H ILE 66 HN ILE 66 27.972 17.909 3.447 511 HA ILE 66 HA ILE 66 26.943 16.408 5.647 512 HB ILE 66 HB ILE 66 25.763 15.070 3.946 513 HG12 ILE 66 HG12 ILE 66 27.282 16.813 1.992 514 HG13 ILE 66 HG11 ILE 66 27.480 15.077 2.204 515 HG21 ILE 66 HG21 ILE 66 24.781 17.130 4.773 516 HG22 ILE 66 HG22 ILE 66 24.382 16.894 3.071 517 HG23 ILE 66 HG23 ILE 66 25.630 18.052 3.533 518 HD11 ILE 66 HD11 ILE 66 26.174 15.573 0.231 519 HD12 ILE 66 HD12 ILE 66 25.009 16.469 1.205 520 HD13 ILE 66 HD13 ILE 66 25.193 14.729 1.428 521 H THR 67 HN THR 67 29.634 15.969 3.520 522 HA THR 67 HA THR 67 29.802 13.128 4.179 523 HB THR 67 HB THR 67 31.775 13.149 2.605 524 HG1 THR 67 HG1 THR 67 30.835 15.605 1.596 525 HG21 THR 67 HG21 THR 67 29.118 14.080 1.492 526 HG22 THR 67 HG22 THR 67 29.552 12.416 1.884 527 HG23 THR 67 HG23 THR 67 30.388 13.261 0.582 528 H HIS 68 HN HIS 68 30.927 16.103 5.264 529 HA HIS 68 HA HIS 68 32.501 14.810 7.292 530 HB2 HIS 68 HB2 HIS 68 34.212 15.096 5.558 531 HB3 HIS 68 HB1 HIS 68 33.823 16.808 5.435 532 HD1 HIS 68 HD1 HIS 68 35.746 18.023 6.386 533 HD2 HIS 68 HD2 HIS 68 34.723 14.707 8.685 534 HE1 HIS 68 HE1 HIS 68 37.238 18.112 8.414 535 HE2 HIS 68 HE2 HIS 68 36.481 16.196 9.870 536 H PHE 69 HN PHE 69 31.175 15.614 8.822 537 HA PHE 69 HA PHE 69 30.166 18.267 8.810 538 HB2 PHE 69 HB2 PHE 69 30.301 16.177 10.987 539 HB3 PHE 69 HB1 PHE 69 29.502 17.733 11.185 540 HD1 PHE 69 HD1 PHE 69 29.379 14.484 9.480 541 HD2 PHE 69 HD2 PHE 69 27.403 18.196 10.137 542 HE1 PHE 69 HE1 PHE 69 27.321 13.557 8.504 543 HE2 PHE 69 HE2 PHE 69 25.341 17.273 9.165 544 HZ PHE 69 HZ PHE 69 25.298 14.953 8.346 545 H THR 70 HN THR 70 30.815 20.067 9.871 546 HA THR 70 HA THR 70 33.614 20.171 10.585 547 HB THR 70 HB THR 70 31.924 22.584 10.898 548 HG1 THR 70 HG1 THR 70 32.290 21.255 8.396 549 HG21 THR 70 HG21 THR 70 33.760 23.584 9.585 550 HG22 THR 70 HG22 THR 70 34.477 21.985 9.392 551 HG23 THR 70 HG23 THR 70 34.362 22.712 10.993 552 H ASP 71 HN ASP 71 33.987 21.851 12.544 553 HA ASP 71 HA ASP 71 33.137 20.424 14.861 554 HB2 ASP 71 HB2 ASP 71 34.642 23.038 14.627 555 HB3 ASP 71 HB1 ASP 71 34.445 22.109 16.109 556 H GLU 72 HN GLU 72 32.590 23.759 13.740 557 HA GLU 72 HA GLU 72 30.638 24.211 15.830 558 HB2 GLU 72 HB2 GLU 72 32.172 25.829 13.959 559 HB3 GLU 72 HB1 GLU 72 30.502 26.357 14.084 560 HG2 GLU 72 HG2 GLU 72 31.987 27.537 15.628 561 HG3 GLU 72 HG1 GLU 72 30.719 26.641 16.460 562 H LEU 73 HN LEU 73 30.650 23.389 12.458 563 HA LEU 73 HA LEU 73 27.856 24.155 12.146 564 HB2 LEU 73 HB2 LEU 73 29.868 23.156 10.128 565 HB3 LEU 73 HB1 LEU 73 28.207 23.556 9.748 566 HG LEU 73 HG LEU 73 29.462 25.405 9.043 567 HD11 LEU 73 HD11 LEU 73 27.475 26.052 10.263 568 HD12 LEU 73 HD12 LEU 73 28.760 27.237 10.499 569 HD13 LEU 73 HD13 LEU 73 28.385 26.076 11.773 570 HD21 LEU 73 HD21 LEU 73 31.122 26.553 10.414 571 HD22 LEU 73 HD22 LEU 73 31.555 24.863 10.154 572 HD23 LEU 73 HD23 LEU 73 30.878 25.370 11.701 573 HA PRO 74 HA PRO 74 26.180 23.888 11.558 574 HB2 PRO 74 HB2 PRO 74 23.705 22.897 11.648 575 HB3 PRO 74 HB1 PRO 74 24.729 22.670 10.225 576 HG2 PRO 74 HG2 PRO 74 23.951 20.730 12.324 577 HG3 PRO 74 HG1 PRO 74 24.367 20.447 10.627 578 HD2 PRO 74 HD2 PRO 74 26.053 20.145 12.917 579 HD3 PRO 74 HD1 PRO 74 26.494 19.941 11.211 580 H SER 75 HN SER 75 24.734 25.126 12.941 581 HA SER 75 HA SER 75 25.185 24.488 15.739 582 HB2 SER 75 HB2 SER 75 23.907 26.960 14.558 583 HB3 SER 75 HB1 SER 75 24.581 26.774 16.179 584 HG SER 75 HG SER 75 26.450 27.280 15.391 585 HA PRO 76 HA PRO 76 21.190 22.768 16.536 586 HB2 PRO 76 HB2 PRO 76 21.006 23.643 19.173 587 HB3 PRO 76 HB1 PRO 76 21.770 22.146 18.634 588 HG2 PRO 76 HG2 PRO 76 23.010 24.766 19.327 589 HG3 PRO 76 HG1 PRO 76 23.609 23.123 19.620 590 HD2 PRO 76 HD2 PRO 76 24.606 24.655 17.653 591 HD3 PRO 76 HD1 PRO 76 24.420 22.899 17.463 592 H GLU 77 HN GLU 77 21.900 26.146 17.285 593 HA GLU 77 HA GLU 77 19.202 26.907 17.701 594 HB2 GLU 77 HB2 GLU 77 19.989 29.204 17.528 595 HB3 GLU 77 HB1 GLU 77 21.035 28.247 18.568 596 HG2 GLU 77 HG2 GLU 77 22.528 27.939 16.583 597 HG3 GLU 77 HG1 GLU 77 21.550 29.155 15.767 598 H ASP 78 HN ASP 78 21.272 26.800 14.851 599 HA ASP 78 HA ASP 78 19.350 27.948 13.085 600 HB2 ASP 78 HB2 ASP 78 21.678 26.102 12.481 601 HB3 ASP 78 HB1 ASP 78 20.739 26.973 11.274 602 H VAL 79 HN VAL 79 20.207 24.666 14.074 603 HA VAL 79 HA VAL 79 18.483 23.228 12.422 604 HB VAL 79 HB VAL 79 19.215 22.602 15.291 605 HG11 VAL 79 HG11 VAL 79 18.722 20.272 14.707 606 HG12 VAL 79 HG12 VAL 79 18.171 20.791 13.114 607 HG13 VAL 79 HG13 VAL 79 17.291 21.294 14.559 608 HG21 VAL 79 HG21 VAL 79 20.959 21.186 14.305 609 HG22 VAL 79 HG22 VAL 79 21.178 22.883 13.877 610 HG23 VAL 79 HG23 VAL 79 20.506 21.756 12.698 611 H GLU 80 HN GLU 80 17.818 24.801 15.527 612 HA GLU 80 HA GLU 80 15.146 23.965 15.788 613 HB2 GLU 80 HB2 GLU 80 16.485 25.015 17.596 614 HB3 GLU 80 HB1 GLU 80 16.386 26.552 16.747 615 HG2 GLU 80 HG2 GLU 80 13.927 26.459 16.952 616 HG3 GLU 80 HG1 GLU 80 14.096 24.988 17.907 617 H ARG 81 HN ARG 81 16.597 26.758 14.195 618 HA ARG 81 HA ARG 81 14.301 28.155 13.460 619 HB2 ARG 81 HB2 ARG 81 17.023 27.915 12.192 620 HB3 ARG 81 HB1 ARG 81 15.774 28.944 11.508 621 HG2 ARG 81 HG2 ARG 81 15.804 30.398 13.315 622 HG3 ARG 81 HG1 ARG 81 16.580 29.220 14.373 623 HD2 ARG 81 HD2 ARG 81 18.083 31.057 13.641 624 HD3 ARG 81 HD1 ARG 81 18.660 29.450 13.214 625 HE ARG 81 HE ARG 81 17.773 29.932 10.918 626 HH11 ARG 81 HH11 ARG 81 18.515 32.594 13.092 627 HH12 ARG 81 HH12 ARG 81 19.050 33.642 11.811 628 HH21 ARG 81 HH21 ARG 81 18.471 31.323 9.244 629 HH22 ARG 81 HH22 ARG 81 19.025 32.936 9.640 630 H VAL 82 HN VAL 82 16.163 25.823 11.504 631 HA VAL 82 HA VAL 82 14.350 25.805 9.349 632 HB VAL 82 HB VAL 82 16.718 25.017 9.223 633 HG11 VAL 82 HG11 VAL 82 15.640 22.533 10.546 634 HG12 VAL 82 HG12 VAL 82 16.801 23.665 11.240 635 HG13 VAL 82 HG13 VAL 82 17.241 22.707 9.826 636 HG21 VAL 82 HG21 VAL 82 16.284 23.207 7.635 637 HG22 VAL 82 HG22 VAL 82 15.162 24.551 7.425 638 HG23 VAL 82 HG23 VAL 82 14.632 23.079 8.240 639 H ARG 83 HN ARG 83 14.528 23.909 12.296 640 HA ARG 83 HA ARG 83 12.706 21.886 11.633 641 HB2 ARG 83 HB2 ARG 83 14.205 21.918 13.627 642 HB3 ARG 83 HB1 ARG 83 13.178 23.148 14.344 643 HG2 ARG 83 HG2 ARG 83 11.302 21.550 14.330 644 HG3 ARG 83 HG1 ARG 83 12.393 20.316 13.692 645 HD2 ARG 83 HD2 ARG 83 13.843 20.665 15.684 646 HD3 ARG 83 HD1 ARG 83 12.622 21.754 16.331 647 HE ARG 83 HE ARG 83 11.851 19.003 15.688 648 HH11 ARG 83 HH11 ARG 83 12.410 21.512 18.074 649 HH12 ARG 83 HH12 ARG 83 11.812 20.547 19.395 650 HH21 ARG 83 HH21 ARG 83 11.053 17.753 17.438 651 HH22 ARG 83 HH22 ARG 83 11.049 18.445 19.044 652 H ALA 84 HN ALA 84 12.179 25.016 13.255 653 HA ALA 84 HA ALA 84 9.372 24.727 13.501 654 HB1 ALA 84 HB1 ALA 84 11.019 27.255 13.434 655 HB2 ALA 84 HB2 ALA 84 10.666 26.290 14.867 656 HB3 ALA 84 HB3 ALA 84 9.359 27.111 14.015 657 H ARG 85 HN ARG 85 11.429 26.223 11.058 658 HA ARG 85 HA ARG 85 9.420 27.410 9.492 659 HB2 ARG 85 HB2 ARG 85 11.733 28.022 9.226 660 HB3 ARG 85 HB1 ARG 85 12.170 26.380 8.785 661 HG2 ARG 85 HG2 ARG 85 12.170 27.455 6.756 662 HG3 ARG 85 HG1 ARG 85 10.561 26.741 6.795 663 HD2 ARG 85 HD2 ARG 85 11.165 29.579 7.609 664 HD3 ARG 85 HD1 ARG 85 10.662 29.114 5.987 665 HE ARG 85 HE ARG 85 9.015 29.194 8.384 666 HH11 ARG 85 HH11 ARG 85 9.311 28.230 5.030 667 HH12 ARG 85 HH12 ARG 85 7.596 28.225 4.752 668 HH21 ARG 85 HH21 ARG 85 6.740 29.200 8.008 669 HH22 ARG 85 HH22 ARG 85 6.140 28.783 6.428 670 H LEU 86 HN LEU 86 10.999 24.230 9.194 671 HA LEU 86 HA LEU 86 9.538 23.567 6.819 672 HB2 LEU 86 HB2 LEU 86 11.523 22.185 8.553 673 HB3 LEU 86 HB1 LEU 86 10.555 21.217 7.461 674 HG LEU 86 HG LEU 86 12.797 21.854 6.572 675 HD11 LEU 86 HD11 LEU 86 10.422 22.904 5.036 676 HD12 LEU 86 HD12 LEU 86 10.982 21.232 5.069 677 HD13 LEU 86 HD13 LEU 86 11.991 22.488 4.349 678 HD21 LEU 86 HD21 LEU 86 13.117 24.133 5.740 679 HD22 LEU 86 HD22 LEU 86 12.965 24.094 7.497 680 HD23 LEU 86 HD23 LEU 86 11.606 24.622 6.504 681 H ALA 87 HN ALA 87 8.961 23.165 10.196 682 HA ALA 87 HA ALA 87 7.306 20.890 10.138 683 HB1 ALA 87 HB1 ALA 87 6.504 21.618 12.312 684 HB2 ALA 87 HB2 ALA 87 7.193 23.220 12.049 685 HB3 ALA 87 HB3 ALA 87 8.252 21.819 12.201 686 H ALA 88 HN ALA 88 6.734 24.177 9.235 687 HA ALA 88 HA ALA 88 3.911 24.197 9.518 688 HB1 ALA 88 HB1 ALA 88 3.982 26.241 8.202 689 HB2 ALA 88 HB2 ALA 88 5.652 25.905 7.745 690 HB3 ALA 88 HB3 ALA 88 5.249 26.244 9.429 691 H GLN 89 HN GLN 89 5.967 22.754 7.209 692 HA GLN 89 HA GLN 89 3.885 22.729 5.154 693 HB2 GLN 89 HB2 GLN 89 6.806 22.011 5.093 694 HB3 GLN 89 HB1 GLN 89 5.721 21.553 3.795 695 HG2 GLN 89 HG2 GLN 89 6.785 23.540 3.113 696 HG3 GLN 89 HG1 GLN 89 5.137 23.977 3.544 697 HE21 GLN 89 HE21 GLN 89 7.741 23.372 5.827 698 HE22 GLN 89 HE22 GLN 89 7.838 24.992 6.426 699 H GLY 90 HN GLY 90 4.308 21.008 7.792 700 HA2 GLY 90 HA2 GLY 90 2.717 19.124 7.920 701 HA3 GLY 90 HA1 GLY 90 3.446 18.519 6.442 702 H TRP 91 HN TRP 91 6.097 18.697 6.930 703 HA TRP 91 HA TRP 91 7.876 17.707 7.930 704 HB2 TRP 91 HB2 TRP 91 6.961 18.947 9.962 705 HB3 TRP 91 HB1 TRP 91 6.212 17.428 10.435 706 HD1 TRP 91 HD1 TRP 91 7.836 15.485 11.324 707 HE1 TRP 91 HE1 TRP 91 10.242 15.559 12.241 708 HE3 TRP 91 HE3 TRP 91 9.189 20.126 9.672 709 HZ2 TRP 91 HZ2 TRP 91 12.423 17.354 12.261 710 HZ3 TRP 91 HZ3 TRP 91 11.448 20.949 10.186 711 HH2 TRP 91 HH2 TRP 91 13.029 19.592 11.453 712 HA PRO 92 HA PRO 92 6.007 13.607 7.138 713 HB2 PRO 92 HB2 PRO 92 7.530 12.923 5.059 714 HB3 PRO 92 HB1 PRO 92 6.230 14.108 4.887 715 HG2 PRO 92 HG2 PRO 92 9.175 14.547 5.134 716 HG3 PRO 92 HG1 PRO 92 8.002 15.376 4.094 717 HD2 PRO 92 HD2 PRO 92 8.954 16.341 6.514 718 HD3 PRO 92 HD1 PRO 92 7.453 16.865 5.727 719 H LEU 93 HN LEU 93 8.076 14.168 9.175 720 HA LEU 93 HA LEU 93 9.711 11.732 8.866 721 HB2 LEU 93 HB2 LEU 93 10.193 14.193 10.547 722 HB3 LEU 93 HB1 LEU 93 11.108 12.713 10.731 723 HG LEU 93 HG LEU 93 11.751 12.991 8.270 724 HD11 LEU 93 HD11 LEU 93 11.702 15.275 7.412 725 HD12 LEU 93 HD12 LEU 93 10.773 15.789 8.820 726 HD13 LEU 93 HD13 LEU 93 10.073 14.650 7.669 727 HD21 LEU 93 HD21 LEU 93 13.297 13.349 10.111 728 HD22 LEU 93 HD22 LEU 93 12.706 15.000 10.305 729 HD23 LEU 93 HD23 LEU 93 13.562 14.535 8.833 730 H ASP 94 HN ASP 94 8.517 13.664 11.583 731 HA ASP 94 HA ASP 94 6.950 11.485 12.626 732 HB2 ASP 94 HB2 ASP 94 9.169 10.867 13.463 733 HB3 ASP 94 HB1 ASP 94 9.396 12.484 14.116 734 H ASP 95 HN ASP 95 5.367 12.237 14.016 735 HA ASP 95 HA ASP 95 4.681 14.950 13.776 736 HB2 ASP 95 HB2 ASP 95 3.072 13.070 14.181 737 HB3 ASP 95 HB1 ASP 95 3.624 13.028 15.854 738 H VAL 96 HN VAL 96 4.513 16.590 15.423 739 HA VAL 96 HA VAL 96 6.988 16.589 16.913 740 HB VAL 96 HB VAL 96 6.628 18.521 15.574 741 HG11 VAL 96 HG11 VAL 96 4.055 18.955 17.080 742 HG12 VAL 96 HG12 VAL 96 4.210 18.479 15.388 743 HG13 VAL 96 HG13 VAL 96 4.759 20.071 15.910 744 HG21 VAL 96 HG21 VAL 96 7.773 18.916 17.671 745 HG22 VAL 96 HG22 VAL 96 6.233 19.207 18.480 746 HG23 VAL 96 HG23 VAL 96 6.799 20.321 17.237 747 H ARG 97 HN ARG 97 6.660 15.317 18.665 748 HA ARG 97 HA ARG 97 5.119 16.645 20.794 749 HB2 ARG 97 HB2 ARG 97 5.777 13.702 20.498 750 HB3 ARG 97 HB1 ARG 97 5.132 14.416 21.971 751 HG2 ARG 97 HG2 ARG 97 3.768 14.404 19.285 752 HG3 ARG 97 HG1 ARG 97 3.381 13.352 20.650 753 HD2 ARG 97 HD2 ARG 97 2.651 15.189 21.968 754 HD3 ARG 97 HD1 ARG 97 3.303 16.356 20.819 755 HE ARG 97 HE ARG 97 1.352 14.726 19.565 756 HH11 ARG 97 HH11 ARG 97 1.631 17.303 21.927 757 HH12 ARG 97 HH12 ARG 97 0.105 18.029 21.517 758 HH21 ARG 97 HH21 ARG 97 -0.670 15.672 19.020 759 HH22 ARG 97 HH22 ARG 97 -1.200 17.094 19.866 760 H ASP 98 HN ASP 98 6.632 17.937 21.658 761 HA ASP 98 HA ASP 98 9.407 17.106 21.407 762 HB2 ASP 98 HB2 ASP 98 8.574 19.306 20.515 763 HB3 ASP 98 HB1 ASP 98 8.368 19.824 22.186 764 H ARG 99 HN ARG 99 10.649 16.570 22.986 765 HA ARG 99 HA ARG 99 10.059 17.476 25.714 766 HB2 ARG 99 HB2 ARG 99 10.839 15.352 26.627 767 HB3 ARG 99 HB1 ARG 99 9.497 15.068 25.533 768 HG2 ARG 99 HG2 ARG 99 12.371 14.743 24.716 769 HG3 ARG 99 HG1 ARG 99 11.405 13.436 25.399 770 HD2 ARG 99 HD2 ARG 99 10.015 13.328 23.548 771 HD3 ARG 99 HD1 ARG 99 10.402 14.969 23.035 772 HE ARG 99 HE ARG 99 12.767 13.549 22.867 773 HH11 ARG 99 HH11 ARG 99 9.568 13.371 21.423 774 HH12 ARG 99 HH12 ARG 99 10.135 12.654 19.943 775 HH21 ARG 99 HH21 ARG 99 13.510 12.635 20.924 776 HH22 ARG 99 HH22 ARG 99 12.387 12.234 19.664 777 H GLU 100 HN GLU 100 12.405 16.336 23.373 778 HA GLU 100 HA GLU 100 14.223 18.413 23.920 779 HB2 GLU 100 HB2 GLU 100 16.159 16.857 24.523 780 HB3 GLU 100 HB1 GLU 100 15.011 17.219 25.799 781 HG2 GLU 100 HG2 GLU 100 15.547 14.917 25.943 782 HG3 GLU 100 HG1 GLU 100 13.902 15.038 25.329 783 H GLU 101 HN GLU 101 16.362 17.868 22.623 784 HA GLU 101 HA GLU 101 15.723 16.234 20.297 785 HB2 GLU 101 HB2 GLU 101 15.904 19.164 20.329 786 HB3 GLU 101 HB1 GLU 101 16.886 18.391 19.089 787 HG2 GLU 101 HG2 GLU 101 13.981 17.757 19.490 788 HG3 GLU 101 HG1 GLU 101 14.545 19.045 18.424 789 H HIS 102 HN HIS 102 17.489 15.583 19.078 790 HA HIS 102 HA HIS 102 19.864 15.284 20.709 791 HB2 HIS 102 HB2 HIS 102 19.089 14.048 18.061 792 HB3 HIS 102 HB1 HIS 102 20.567 13.671 18.942 793 HD1 HIS 102 HD1 HIS 102 17.308 12.377 18.450 794 HD2 HIS 102 HD2 HIS 102 19.799 12.785 21.754 795 HE1 HIS 102 HE1 HIS 102 16.420 10.775 20.171 796 HE2 HIS 102 HE2 HIS 102 17.830 11.178 22.220 797 H ALA 103 HN ALA 103 21.064 17.052 20.686 798 HA ALA 103 HA ALA 103 22.618 17.693 18.393 799 HB1 ALA 103 HB1 ALA 103 21.914 20.019 18.116 800 HB2 ALA 103 HB2 ALA 103 20.638 19.784 19.311 801 HB3 ALA 103 HB3 ALA 103 20.579 18.917 17.777 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 0.562 3.410 -4.066 2 H2 GLY 1 HT2 GLY 1 0.221 4.444 -2.770 3 H3 GLY 1 HT3 GLY 1 -0.221 2.808 -2.687 4 HA2 GLY 1 HA1 GLY 1 1.716 3.126 -1.352 5 HA3 GLY 1 HA2 GLY 1 2.142 2.186 -2.776 6 H SER 2 HN SER 2 3.591 4.137 -0.933 7 HA SER 2 HA SER 2 4.229 6.394 -2.584 8 HB2 SER 2 HB2 SER 2 6.008 6.741 -0.773 9 HB3 SER 2 HB1 SER 2 4.324 6.782 -0.249 10 HG SER 2 HG SER 2 6.049 4.524 -0.095 11 H HIS 3 HN HIS 3 5.401 6.154 -4.364 12 HA HIS 3 HA HIS 3 7.491 4.146 -4.517 13 HB2 HIS 3 HB2 HIS 3 6.430 6.144 -6.520 14 HB3 HIS 3 HB1 HIS 3 7.812 5.102 -6.848 15 HD1 HIS 3 HD1 HIS 3 4.380 5.226 -7.538 16 HD2 HIS 3 HD2 HIS 3 6.926 2.223 -6.197 17 HE1 HIS 3 HE1 HIS 3 3.205 3.060 -8.046 18 HE2 HIS 3 HE2 HIS 3 4.837 1.259 -7.375 19 H MET 4 HN MET 4 9.681 4.665 -5.035 20 HA MET 4 HA MET 4 10.768 6.426 -3.168 21 HB2 MET 4 HB2 MET 4 12.052 5.220 -5.621 22 HB3 MET 4 HB1 MET 4 12.934 6.037 -4.339 23 HG2 MET 4 HG2 MET 4 11.274 3.549 -4.028 24 HG3 MET 4 HG1 MET 4 13.033 3.620 -4.100 25 HE1 MET 4 HE1 MET 4 13.080 2.192 -1.824 26 HE2 MET 4 HE2 MET 4 11.316 2.199 -1.774 27 HE3 MET 4 HE3 MET 4 12.240 2.686 -0.353 28 H ASN 5 HN ASN 5 10.578 6.832 -6.704 29 HA ASN 5 HA ASN 5 11.859 9.336 -6.755 30 HB2 ASN 5 HB2 ASN 5 11.011 9.567 -9.027 31 HB3 ASN 5 HB1 ASN 5 11.598 7.930 -8.765 32 HD21 ASN 5 HD21 ASN 5 9.629 9.134 -10.654 33 HD22 ASN 5 HD22 ASN 5 8.209 8.156 -10.486 34 H ARG 6 HN ARG 6 8.478 8.442 -6.403 35 HA ARG 6 HA ARG 6 7.475 11.099 -6.606 36 HB2 ARG 6 HB2 ARG 6 6.034 9.205 -7.071 37 HB3 ARG 6 HB1 ARG 6 6.251 8.593 -5.438 38 HG2 ARG 6 HG2 ARG 6 5.008 10.403 -4.512 39 HG3 ARG 6 HG1 ARG 6 4.971 11.243 -6.064 40 HD2 ARG 6 HD2 ARG 6 3.542 9.601 -7.013 41 HD3 ARG 6 HD1 ARG 6 3.762 8.522 -5.637 42 HE ARG 6 HE ARG 6 2.433 10.027 -4.311 43 HH11 ARG 6 HH11 ARG 6 2.433 10.691 -7.761 44 HH12 ARG 6 HH12 ARG 6 0.914 11.544 -7.719 45 HH21 ARG 6 HH21 ARG 6 0.435 11.129 -4.264 46 HH22 ARG 6 HH22 ARG 6 -0.216 11.794 -5.732 47 H PHE 7 HN PHE 7 8.425 9.016 -3.915 48 HA PHE 7 HA PHE 7 7.587 10.754 -1.850 49 HB2 PHE 7 HB2 PHE 7 8.142 8.354 -1.510 50 HB3 PHE 7 HB1 PHE 7 9.837 8.728 -1.802 51 HD1 PHE 7 HD2 PHE 7 6.996 9.439 0.463 52 HD2 PHE 7 HD1 PHE 7 11.219 9.456 -0.060 53 HE1 PHE 7 HE2 PHE 7 7.288 9.934 2.854 54 HE2 PHE 7 HE1 PHE 7 11.517 9.949 2.332 55 HZ PHE 7 HZ PHE 7 9.550 10.190 3.791 56 H LEU 8 HN LEU 8 10.759 10.257 -3.384 57 HA LEU 8 HA LEU 8 12.152 12.188 -1.916 58 HB2 LEU 8 HB2 LEU 8 12.635 11.184 -4.718 59 HB3 LEU 8 HB1 LEU 8 13.772 12.155 -3.804 60 HG LEU 8 HG LEU 8 12.825 9.385 -3.057 61 HD11 LEU 8 HD11 LEU 8 14.320 9.386 -4.980 62 HD12 LEU 8 HD12 LEU 8 15.119 8.714 -3.557 63 HD13 LEU 8 HD13 LEU 8 15.485 10.357 -4.084 64 HD21 LEU 8 HD21 LEU 8 14.873 11.169 -1.745 65 HD22 LEU 8 HD22 LEU 8 14.518 9.501 -1.298 66 HD23 LEU 8 HD23 LEU 8 13.292 10.751 -1.085 67 H THR 9 HN THR 9 10.389 12.469 -4.983 68 HA THR 9 HA THR 9 11.065 15.165 -5.471 69 HB THR 9 HB THR 9 8.602 13.658 -6.378 70 HG1 THR 9 HG1 THR 9 10.392 12.608 -7.171 71 HG21 THR 9 HG21 THR 9 9.892 16.163 -7.470 72 HG22 THR 9 HG22 THR 9 8.342 16.076 -6.633 73 HG23 THR 9 HG23 THR 9 8.541 15.300 -8.204 74 H SER 10 HN SER 10 8.466 13.661 -3.611 75 HA SER 10 HA SER 10 7.028 16.037 -3.080 76 HB2 SER 10 HB2 SER 10 6.145 13.721 -2.707 77 HB3 SER 10 HB1 SER 10 7.219 13.583 -1.315 78 HG SER 10 HG SER 10 5.462 15.769 -1.495 79 H ILE 11 HN ILE 11 9.725 14.425 -1.457 80 HA ILE 11 HA ILE 11 9.923 16.196 0.732 81 HB ILE 11 HB ILE 11 12.120 14.621 -0.627 82 HG12 ILE 11 HG12 ILE 11 10.326 13.180 0.196 83 HG13 ILE 11 HG11 ILE 11 11.760 12.993 1.199 84 HG21 ILE 11 HG21 ILE 11 12.066 15.910 2.099 85 HG22 ILE 11 HG22 ILE 11 13.042 16.419 0.722 86 HG23 ILE 11 HG23 ILE 11 13.343 14.859 1.487 87 HD11 ILE 11 HD11 ILE 11 10.761 14.452 2.886 88 HD12 ILE 11 HD12 ILE 11 9.752 13.043 2.550 89 HD13 ILE 11 HD13 ILE 11 9.321 14.619 1.882 90 H VAL 12 HN VAL 12 11.429 16.214 -2.483 91 HA VAL 12 HA VAL 12 12.941 18.536 -2.297 92 HB VAL 12 HB VAL 12 11.401 17.472 -4.674 93 HG11 VAL 12 HG11 VAL 12 12.882 18.837 -6.065 94 HG12 VAL 12 HG12 VAL 12 13.593 19.544 -4.614 95 HG13 VAL 12 HG13 VAL 12 11.897 19.838 -4.999 96 HG21 VAL 12 HG21 VAL 12 14.307 17.207 -3.908 97 HG22 VAL 12 HG22 VAL 12 13.556 16.560 -5.368 98 HG23 VAL 12 HG23 VAL 12 13.085 15.940 -3.785 99 H ALA 13 HN ALA 13 9.522 18.168 -3.167 100 HA ALA 13 HA ALA 13 8.944 20.881 -3.594 101 HB1 ALA 13 HB1 ALA 13 6.604 20.254 -3.304 102 HB2 ALA 13 HB2 ALA 13 7.094 18.711 -2.604 103 HB3 ALA 13 HB3 ALA 13 7.455 19.067 -4.293 104 H TRP 14 HN TRP 14 8.728 18.883 -0.684 105 HA TRP 14 HA TRP 14 7.712 20.826 1.062 106 HB2 TRP 14 HB2 TRP 14 7.683 18.520 1.695 107 HB3 TRP 14 HB1 TRP 14 9.425 18.380 1.516 108 HD1 TRP 14 HD1 TRP 14 7.327 20.886 3.630 109 HE1 TRP 14 HE1 TRP 14 8.180 20.774 6.058 110 HE3 TRP 14 HE3 TRP 14 10.846 17.229 3.069 111 HZ2 TRP 14 HZ2 TRP 14 10.109 19.320 7.533 112 HZ3 TRP 14 HZ3 TRP 14 12.153 16.536 5.032 113 HH2 TRP 14 HH2 TRP 14 11.793 17.556 7.216 114 H LEU 15 HN LEU 15 11.069 19.901 0.350 115 HA LEU 15 HA LEU 15 12.279 21.627 2.199 116 HB2 LEU 15 HB2 LEU 15 13.386 20.590 -0.409 117 HB3 LEU 15 HB1 LEU 15 14.331 21.315 0.878 118 HG LEU 15 HG LEU 15 12.848 18.691 0.960 119 HD11 LEU 15 HD11 LEU 15 15.772 19.379 1.203 120 HD12 LEU 15 HD12 LEU 15 14.992 18.627 -0.188 121 HD13 LEU 15 HD13 LEU 15 15.078 17.766 1.350 122 HD21 LEU 15 HD21 LEU 15 12.559 19.820 3.092 123 HD22 LEU 15 HD22 LEU 15 14.296 20.122 3.186 124 HD23 LEU 15 HD23 LEU 15 13.683 18.469 3.256 125 H ARG 16 HN ARG 16 11.546 22.109 -1.253 126 HA ARG 16 HA ARG 16 12.691 24.715 -1.290 127 HB2 ARG 16 HB2 ARG 16 11.778 24.964 -3.491 128 HB3 ARG 16 HB1 ARG 16 12.390 23.326 -3.335 129 HG2 ARG 16 HG2 ARG 16 10.126 22.495 -3.022 130 HG3 ARG 16 HG1 ARG 16 9.501 24.142 -3.127 131 HD2 ARG 16 HD2 ARG 16 10.458 24.308 -5.404 132 HD3 ARG 16 HD1 ARG 16 10.945 22.619 -5.289 133 HE ARG 16 HE ARG 16 8.272 22.581 -4.767 134 HH11 ARG 16 HH11 ARG 16 10.212 23.896 -7.366 135 HH12 ARG 16 HH12 ARG 16 9.011 23.586 -8.590 136 HH21 ARG 16 HH21 ARG 16 6.666 22.208 -6.356 137 HH22 ARG 16 HH22 ARG 16 6.989 22.645 -8.012 138 H ALA 17 HN ALA 17 9.478 23.464 -0.605 139 HA ALA 17 HA ALA 17 8.129 25.952 -0.612 140 HB1 ALA 17 HB1 ALA 17 6.402 24.832 0.685 141 HB2 ALA 17 HB2 ALA 17 7.493 23.485 1.007 142 HB3 ALA 17 HB3 ALA 17 6.944 23.801 -0.639 143 H GLY 18 HN GLY 18 10.030 24.230 1.781 144 HA2 GLY 18 HA2 GLY 18 9.521 26.003 3.946 145 HA3 GLY 18 HA1 GLY 18 10.879 24.897 3.811 146 H TYR 19 HN TYR 19 11.545 26.247 1.147 147 HA TYR 19 HA TYR 19 12.448 28.861 2.067 148 HB2 TYR 19 HB2 TYR 19 14.305 26.616 1.326 149 HB3 TYR 19 HB1 TYR 19 14.777 28.293 1.077 150 HD1 TYR 19 HD2 TYR 19 15.112 29.786 2.996 151 HD2 TYR 19 HD1 TYR 19 14.173 25.673 3.535 152 HE1 TYR 19 HE2 TYR 19 15.801 29.946 5.349 153 HE2 TYR 19 HE1 TYR 19 14.856 25.822 5.888 154 HH TYR 19 HH TYR 19 16.438 27.349 7.264 155 HA PRO 20 HA PRO 20 11.108 28.772 -2.375 156 HB2 PRO 20 HB2 PRO 20 9.426 30.885 -2.207 157 HB3 PRO 20 HB1 PRO 20 8.921 29.239 -1.804 158 HG2 PRO 20 HG2 PRO 20 9.735 31.471 0.016 159 HG3 PRO 20 HG1 PRO 20 8.400 30.318 0.184 160 HD2 PRO 20 HD2 PRO 20 10.763 30.054 1.506 161 HD3 PRO 20 HD1 PRO 20 9.765 28.668 1.024 162 H GLU 21 HN GLU 21 12.815 30.656 -0.300 163 HA GLU 21 HA GLU 21 13.485 32.716 -2.278 164 HB2 GLU 21 HB2 GLU 21 14.521 33.877 -0.334 165 HB3 GLU 21 HB1 GLU 21 12.800 33.582 -0.115 166 HG2 GLU 21 HG2 GLU 21 13.516 31.469 1.143 167 HG3 GLU 21 HG1 GLU 21 15.119 32.199 1.186 168 H GLY 22 HN GLY 22 14.431 29.727 -1.494 169 HA2 GLY 22 HA2 GLY 22 16.407 28.693 -2.293 170 HA3 GLY 22 HA1 GLY 22 17.229 30.245 -2.189 171 H ILE 23 HN ILE 23 17.914 27.550 -1.089 172 HA ILE 23 HA ILE 23 17.763 27.974 1.779 173 HB ILE 23 HB ILE 23 19.186 25.779 0.256 174 HG12 ILE 23 HG12 ILE 23 17.246 24.402 1.303 175 HG13 ILE 23 HG11 ILE 23 16.431 25.955 1.455 176 HG21 ILE 23 HG21 ILE 23 20.169 26.124 2.438 177 HG22 ILE 23 HG22 ILE 23 19.251 24.618 2.424 178 HG23 ILE 23 HG23 ILE 23 18.577 26.053 3.196 179 HD11 ILE 23 HD11 ILE 23 15.762 24.754 -0.557 180 HD12 ILE 23 HD12 ILE 23 17.439 24.753 -1.110 181 HD13 ILE 23 HD13 ILE 23 16.567 26.276 -0.943 182 HA PRO 24 HA PRO 24 21.613 30.323 1.636 183 HB2 PRO 24 HB2 PRO 24 21.214 30.374 4.555 184 HB3 PRO 24 HB1 PRO 24 21.337 31.718 3.418 185 HG2 PRO 24 HG2 PRO 24 19.013 31.055 4.591 186 HG3 PRO 24 HG1 PRO 24 19.083 31.695 2.939 187 HD2 PRO 24 HD2 PRO 24 18.720 28.877 3.870 188 HD3 PRO 24 HD1 PRO 24 17.943 29.729 2.523 189 HA PRO 25 HA PRO 25 24.633 27.282 2.652 190 HB2 PRO 25 HB2 PRO 25 26.653 28.854 3.677 191 HB3 PRO 25 HB1 PRO 25 26.329 28.636 1.954 192 HG2 PRO 25 HG2 PRO 25 25.534 30.878 3.763 193 HG3 PRO 25 HG1 PRO 25 26.108 30.938 2.087 194 HD2 PRO 25 HD2 PRO 25 23.505 31.204 2.699 195 HD3 PRO 25 HD1 PRO 25 24.037 30.372 1.223 196 H THR 26 HN THR 26 24.113 29.730 5.158 197 HA THR 26 HA THR 26 25.158 28.284 7.326 198 HB THR 26 HB THR 26 23.515 29.824 8.633 199 HG1 THR 26 HG1 THR 26 22.116 30.703 7.278 200 HG21 THR 26 HG21 THR 26 24.997 31.751 8.293 201 HG22 THR 26 HG22 THR 26 25.650 30.990 6.841 202 HG23 THR 26 HG23 THR 26 25.914 30.250 8.420 203 H ASP 27 HN ASP 27 21.829 28.698 6.195 204 HA ASP 27 HA ASP 27 20.655 26.990 8.113 205 HB2 ASP 27 HB2 ASP 27 19.607 27.836 5.403 206 HB3 ASP 27 HB1 ASP 27 18.648 27.138 6.705 207 H SER 28 HN SER 28 22.201 26.417 5.067 208 HA SER 28 HA SER 28 21.071 23.959 4.372 209 HB2 SER 28 HB2 SER 28 22.523 25.267 2.865 210 HB3 SER 28 HB1 SER 28 23.910 24.897 3.886 211 HG SER 28 HG SER 28 22.955 22.581 3.391 212 H PHE 29 HN PHE 29 23.636 24.733 6.669 213 HA PHE 29 HA PHE 29 24.448 22.060 7.162 214 HB2 PHE 29 HB2 PHE 29 24.650 24.586 8.797 215 HB3 PHE 29 HB1 PHE 29 25.245 23.042 9.392 216 HD1 PHE 29 HD1 PHE 29 25.700 25.641 6.826 217 HD2 PHE 29 HD2 PHE 29 27.278 22.116 8.595 218 HE1 PHE 29 HE1 PHE 29 27.843 26.038 5.688 219 HE2 PHE 29 HE2 PHE 29 29.425 22.499 7.462 220 HZ PHE 29 HZ PHE 29 29.713 24.465 6.006 221 H ALA 30 HN ALA 30 21.977 24.140 8.565 222 HA ALA 30 HA ALA 30 21.177 22.346 10.617 223 HB1 ALA 30 HB1 ALA 30 20.673 24.745 10.686 224 HB2 ALA 30 HB2 ALA 30 19.210 23.768 10.829 225 HB3 ALA 30 HB3 ALA 30 19.599 24.556 9.299 226 H VAL 31 HN VAL 31 19.960 23.022 7.352 227 HA VAL 31 HA VAL 31 17.891 21.134 7.291 228 HB VAL 31 HB VAL 31 19.660 22.013 4.992 229 HG11 VAL 31 HG11 VAL 31 18.411 19.994 4.451 230 HG12 VAL 31 HG12 VAL 31 17.774 21.375 3.561 231 HG13 VAL 31 HG13 VAL 31 16.912 20.765 4.973 232 HG21 VAL 31 HG21 VAL 31 17.887 23.635 4.508 233 HG22 VAL 31 HG22 VAL 31 18.603 23.908 6.097 234 HG23 VAL 31 HG23 VAL 31 17.028 23.126 5.961 235 H LEU 32 HN LEU 32 21.339 20.844 6.600 236 HA LEU 32 HA LEU 32 21.440 18.179 5.798 237 HB2 LEU 32 HB2 LEU 32 23.386 19.464 5.540 238 HB3 LEU 32 HB1 LEU 32 23.367 19.995 7.208 239 HG LEU 32 HG LEU 32 23.962 17.693 7.908 240 HD11 LEU 32 HD11 LEU 32 23.094 16.471 5.988 241 HD12 LEU 32 HD12 LEU 32 24.810 16.132 6.216 242 HD13 LEU 32 HD13 LEU 32 24.291 17.236 4.943 243 HD21 LEU 32 HD21 LEU 32 25.848 19.011 5.960 244 HD22 LEU 32 HD22 LEU 32 26.298 17.836 7.197 245 HD23 LEU 32 HD23 LEU 32 25.663 19.412 7.669 246 H ALA 33 HN ALA 33 21.728 19.564 9.070 247 HA ALA 33 HA ALA 33 22.015 17.162 10.470 248 HB1 ALA 33 HB1 ALA 33 20.684 19.695 11.420 249 HB2 ALA 33 HB2 ALA 33 22.415 19.361 11.468 250 HB3 ALA 33 HB3 ALA 33 21.305 18.396 12.440 251 H LEU 34 HN LEU 34 19.130 18.869 9.401 252 HA LEU 34 HA LEU 34 17.276 17.179 10.747 253 HB2 LEU 34 HB2 LEU 34 16.774 19.474 9.927 254 HB3 LEU 34 HB1 LEU 34 16.846 18.862 8.282 255 HG LEU 34 HG LEU 34 14.945 17.358 8.803 256 HD11 LEU 34 HD11 LEU 34 15.276 17.199 11.216 257 HD12 LEU 34 HD12 LEU 34 13.647 17.753 10.829 258 HD13 LEU 34 HD13 LEU 34 14.860 18.903 11.392 259 HD21 LEU 34 HD21 LEU 34 14.454 20.291 9.299 260 HD22 LEU 34 HD22 LEU 34 13.252 19.110 8.778 261 HD23 LEU 34 HD23 LEU 34 14.601 19.519 7.720 262 H LEU 35 HN LEU 35 18.375 17.340 7.362 263 HA LEU 35 HA LEU 35 16.735 15.212 6.491 264 HB2 LEU 35 HB2 LEU 35 19.201 16.430 5.264 265 HB3 LEU 35 HB1 LEU 35 18.214 15.223 4.465 266 HG LEU 35 HG LEU 35 17.350 18.002 5.261 267 HD11 LEU 35 HD11 LEU 35 17.771 16.722 2.565 268 HD12 LEU 35 HD12 LEU 35 18.808 17.937 3.314 269 HD13 LEU 35 HD13 LEU 35 17.157 18.351 2.851 270 HD21 LEU 35 HD21 LEU 35 15.784 15.816 3.891 271 HD22 LEU 35 HD22 LEU 35 15.240 17.474 4.146 272 HD23 LEU 35 HD23 LEU 35 15.513 16.416 5.529 273 H CYS 36 HN CYS 36 19.928 15.312 7.883 274 HA CYS 36 HA CYS 36 20.859 12.785 7.082 275 HB2 CYS 36 HB2 CYS 36 22.317 14.470 8.092 276 HB3 CYS 36 HB1 CYS 36 21.447 14.333 9.614 277 HG CYS 36 HG CYS 36 22.304 11.335 9.125 278 H ARG 37 HN ARG 37 18.363 13.643 9.225 279 HA ARG 37 HA ARG 37 18.482 11.154 10.737 280 HB2 ARG 37 HB2 ARG 37 16.496 13.433 10.903 281 HB3 ARG 37 HB1 ARG 37 16.655 12.104 12.048 282 HG2 ARG 37 HG2 ARG 37 18.773 12.873 12.783 283 HG3 ARG 37 HG1 ARG 37 18.882 14.035 11.462 284 HD2 ARG 37 HD2 ARG 37 18.328 15.263 13.405 285 HD3 ARG 37 HD1 ARG 37 16.867 15.172 12.427 286 HE ARG 37 HE ARG 37 16.773 13.046 14.216 287 HH11 ARG 37 HH11 ARG 37 16.914 16.548 14.377 288 HH12 ARG 37 HH12 ARG 37 15.949 16.649 15.827 289 HH21 ARG 37 HH21 ARG 37 15.535 13.182 16.159 290 HH22 ARG 37 HH22 ARG 37 15.189 14.746 16.835 291 H ARG 38 HN ARG 38 17.411 12.048 7.793 292 HA ARG 38 HA ARG 38 15.258 10.034 7.810 293 HB2 ARG 38 HB2 ARG 38 14.254 12.196 7.434 294 HB3 ARG 38 HB1 ARG 38 15.451 12.596 6.215 295 HG2 ARG 38 HG2 ARG 38 13.404 12.086 5.111 296 HG3 ARG 38 HG1 ARG 38 14.533 10.772 4.792 297 HD2 ARG 38 HD2 ARG 38 12.508 10.636 7.009 298 HD3 ARG 38 HD1 ARG 38 12.118 10.157 5.360 299 HE ARG 38 HE ARG 38 14.437 8.795 6.081 300 HH11 ARG 38 HH11 ARG 38 11.062 8.915 6.996 301 HH12 ARG 38 HH12 ARG 38 11.026 7.285 7.599 302 HH21 ARG 38 HH21 ARG 38 14.396 6.632 6.835 303 HH22 ARG 38 HH22 ARG 38 12.921 5.990 7.495 304 H LEU 39 HN LEU 39 17.949 11.483 6.068 305 HA LEU 39 HA LEU 39 18.125 9.077 4.395 306 HB2 LEU 39 HB2 LEU 39 18.178 11.949 3.489 307 HB3 LEU 39 HB1 LEU 39 18.791 10.638 2.513 308 HG LEU 39 HG LEU 39 15.942 10.847 3.465 309 HD11 LEU 39 HD11 LEU 39 15.410 11.453 1.159 310 HD12 LEU 39 HD12 LEU 39 17.129 11.473 0.766 311 HD13 LEU 39 HD13 LEU 39 16.473 12.646 1.908 312 HD21 LEU 39 HD21 LEU 39 15.527 9.081 1.827 313 HD22 LEU 39 HD22 LEU 39 16.675 8.558 3.059 314 HD23 LEU 39 HD23 LEU 39 17.252 9.019 1.457 315 H SER 40 HN SER 40 20.269 8.727 3.482 316 HA SER 40 HA SER 40 22.331 9.618 5.323 317 HB2 SER 40 HB2 SER 40 22.388 7.573 3.095 318 HB3 SER 40 HB1 SER 40 23.745 7.926 4.164 319 HG SER 40 HG SER 40 21.320 6.623 4.705 320 H HIS 41 HN HIS 41 24.604 9.759 4.040 321 HA HIS 41 HA HIS 41 24.532 12.388 3.123 322 HB2 HIS 41 HB2 HIS 41 26.967 12.027 2.559 323 HB3 HIS 41 HB1 HIS 41 26.493 11.695 4.217 324 HD1 HIS 41 HD1 HIS 41 26.797 9.340 5.089 325 HD2 HIS 41 HD2 HIS 41 27.689 9.728 1.043 326 HE1 HIS 41 HE1 HIS 41 27.918 7.187 4.432 327 HE2 HIS 41 HE2 HIS 41 28.660 7.551 2.051 328 H ASP 42 HN ASP 42 24.630 9.398 1.196 329 HA ASP 42 HA ASP 42 25.220 10.843 -1.219 330 HB2 ASP 42 HB2 ASP 42 24.470 8.014 -0.613 331 HB3 ASP 42 HB1 ASP 42 24.317 8.603 -2.265 332 H GLU 43 HN GLU 43 22.321 9.717 0.392 333 HA GLU 43 HA GLU 43 20.511 10.329 -1.685 334 HB2 GLU 43 HB2 GLU 43 20.127 10.219 1.296 335 HB3 GLU 43 HB1 GLU 43 18.808 10.436 0.158 336 HG2 GLU 43 HG2 GLU 43 18.671 8.201 0.488 337 HG3 GLU 43 HG1 GLU 43 19.802 8.221 -0.866 338 H VAL 44 HN VAL 44 21.593 12.211 1.149 339 HA VAL 44 HA VAL 44 20.078 14.506 0.453 340 HB VAL 44 HB VAL 44 21.425 15.753 2.062 341 HG11 VAL 44 HG11 VAL 44 20.655 13.008 3.044 342 HG12 VAL 44 HG12 VAL 44 19.583 14.399 2.881 343 HG13 VAL 44 HG13 VAL 44 20.898 14.432 4.056 344 HG21 VAL 44 HG21 VAL 44 23.617 14.794 1.606 345 HG22 VAL 44 HG22 VAL 44 23.097 13.251 2.286 346 HG23 VAL 44 HG23 VAL 44 23.224 14.675 3.321 347 H LYS 45 HN LYS 45 23.316 13.414 -0.354 348 HA LYS 45 HA LYS 45 24.235 15.653 -1.757 349 HB2 LYS 45 HB2 LYS 45 25.688 13.784 -1.295 350 HB3 LYS 45 HB1 LYS 45 24.667 12.696 -2.218 351 HG2 LYS 45 HG2 LYS 45 25.239 14.037 -4.255 352 HG3 LYS 45 HG1 LYS 45 26.422 14.898 -3.264 353 HD2 LYS 45 HD2 LYS 45 27.551 12.807 -2.758 354 HD3 LYS 45 HD1 LYS 45 26.344 11.912 -3.681 355 HE2 LYS 45 HE2 LYS 45 27.036 13.224 -5.694 356 HE3 LYS 45 HE1 LYS 45 28.353 13.895 -4.730 357 HZ1 LYS 45 HZ1 LYS 45 27.920 11.030 -5.368 358 HZ2 LYS 45 HZ2 LYS 45 29.133 11.608 -4.343 359 HZ3 LYS 45 HZ3 LYS 45 29.146 12.020 -5.991 360 H ALA 46 HN ALA 46 22.172 12.964 -2.754 361 HA ALA 46 HA ALA 46 21.924 13.714 -5.464 362 HB1 ALA 46 HB1 ALA 46 19.995 12.122 -3.779 363 HB2 ALA 46 HB2 ALA 46 21.388 11.468 -4.643 364 HB3 ALA 46 HB3 ALA 46 20.046 12.175 -5.541 365 H VAL 47 HN VAL 47 19.806 14.344 -2.653 366 HA VAL 47 HA VAL 47 17.890 15.773 -4.198 367 HB VAL 47 HB VAL 47 17.334 14.675 -2.043 368 HG11 VAL 47 HG11 VAL 47 18.821 16.981 -0.800 369 HG12 VAL 47 HG12 VAL 47 19.288 15.282 -0.742 370 HG13 VAL 47 HG13 VAL 47 17.815 15.819 0.066 371 HG21 VAL 47 HG21 VAL 47 15.828 16.321 -2.979 372 HG22 VAL 47 HG22 VAL 47 16.722 17.622 -2.193 373 HG23 VAL 47 HG23 VAL 47 15.843 16.444 -1.219 374 H ALA 48 HN ALA 48 20.735 16.770 -2.351 375 HA ALA 48 HA ALA 48 20.305 19.552 -2.465 376 HB1 ALA 48 HB1 ALA 48 22.712 19.773 -2.090 377 HB2 ALA 48 HB2 ALA 48 22.935 18.065 -2.470 378 HB3 ALA 48 HB3 ALA 48 22.021 18.536 -1.038 379 H ASN 49 HN ASN 49 22.076 17.366 -4.614 380 HA ASN 49 HA ASN 49 22.799 19.230 -6.578 381 HB2 ASN 49 HB2 ASN 49 23.793 17.017 -6.497 382 HB3 ASN 49 HB1 ASN 49 22.230 16.265 -6.789 383 HD21 ASN 49 HD21 ASN 49 23.027 15.186 -8.573 384 HD22 ASN 49 HD22 ASN 49 23.333 15.985 -10.077 385 H GLU 50 HN GLU 50 19.965 17.114 -6.330 386 HA GLU 50 HA GLU 50 18.644 17.792 -8.676 387 HB2 GLU 50 HB2 GLU 50 17.886 15.979 -7.266 388 HB3 GLU 50 HB1 GLU 50 17.554 17.084 -5.944 389 HG2 GLU 50 HG2 GLU 50 15.471 16.523 -6.870 390 HG3 GLU 50 HG1 GLU 50 15.826 18.160 -7.414 391 H LEU 51 HN LEU 51 18.296 19.263 -5.456 392 HA LEU 51 HA LEU 51 16.339 21.139 -6.213 393 HB2 LEU 51 HB2 LEU 51 17.111 20.258 -3.878 394 HB3 LEU 51 HB1 LEU 51 18.239 21.598 -3.937 395 HG LEU 51 HG LEU 51 16.162 22.073 -2.647 396 HD11 LEU 51 HD11 LEU 51 15.731 24.267 -3.607 397 HD12 LEU 51 HD12 LEU 51 16.545 23.784 -5.095 398 HD13 LEU 51 HD13 LEU 51 17.457 23.905 -3.591 399 HD21 LEU 51 HD21 LEU 51 14.837 21.907 -5.347 400 HD22 LEU 51 HD22 LEU 51 14.083 22.472 -3.857 401 HD23 LEU 51 HD23 LEU 51 14.599 20.792 -4.001 402 H MET 52 HN MET 52 19.877 21.355 -5.994 403 HA MET 52 HA MET 52 20.067 24.130 -6.412 404 HB2 MET 52 HB2 MET 52 22.017 21.893 -6.883 405 HB3 MET 52 HB1 MET 52 22.415 23.559 -7.276 406 HG2 MET 52 HG2 MET 52 21.847 24.134 -4.892 407 HG3 MET 52 HG1 MET 52 21.780 22.400 -4.585 408 HE1 MET 52 HE1 MET 52 23.582 22.800 -2.656 409 HE2 MET 52 HE2 MET 52 23.662 24.516 -3.062 410 HE3 MET 52 HE3 MET 52 25.145 23.571 -2.928 411 H ARG 53 HN ARG 53 19.659 21.489 -8.666 412 HA ARG 53 HA ARG 53 20.403 22.944 -10.990 413 HB2 ARG 53 HB2 ARG 53 18.592 20.540 -10.744 414 HB3 ARG 53 HB1 ARG 53 19.262 21.159 -12.245 415 HG2 ARG 53 HG2 ARG 53 20.758 19.926 -9.949 416 HG3 ARG 53 HG1 ARG 53 20.550 19.276 -11.574 417 HD2 ARG 53 HD2 ARG 53 22.081 21.761 -10.822 418 HD3 ARG 53 HD1 ARG 53 22.775 20.216 -11.305 419 HE ARG 53 HE ARG 53 21.016 21.640 -13.178 420 HH11 ARG 53 HH11 ARG 53 24.214 20.471 -12.318 421 HH12 ARG 53 HH12 ARG 53 24.884 20.781 -13.894 422 HH21 ARG 53 HH21 ARG 53 21.886 22.046 -15.224 423 HH22 ARG 53 HH22 ARG 53 23.546 21.659 -15.560 424 H LEU 54 HN LEU 54 17.589 22.992 -9.029 425 HA LEU 54 HA LEU 54 15.882 24.141 -11.057 426 HB2 LEU 54 HB2 LEU 54 15.614 23.686 -8.105 427 HB3 LEU 54 HB1 LEU 54 14.499 24.752 -8.931 428 HG LEU 54 HG LEU 54 13.487 22.589 -8.712 429 HD11 LEU 54 HD11 LEU 54 13.020 22.048 -11.048 430 HD12 LEU 54 HD12 LEU 54 14.391 23.038 -11.550 431 HD13 LEU 54 HD13 LEU 54 13.002 23.788 -10.764 432 HD21 LEU 54 HD21 LEU 54 15.909 21.487 -10.130 433 HD22 LEU 54 HD22 LEU 54 14.451 20.579 -9.729 434 HD23 LEU 54 HD23 LEU 54 15.471 21.222 -8.441 435 H GLY 55 HN GLY 55 18.209 25.229 -8.769 436 HA2 GLY 55 HA2 GLY 55 19.262 27.341 -8.948 437 HA3 GLY 55 HA1 GLY 55 17.815 27.969 -9.722 438 H ASP 56 HN ASP 56 16.657 26.260 -7.219 439 HA ASP 56 HA ASP 56 16.216 28.674 -5.672 440 HB2 ASP 56 HB2 ASP 56 15.078 25.885 -5.416 441 HB3 ASP 56 HB1 ASP 56 14.628 27.235 -4.378 442 H PHE 57 HN PHE 57 18.854 27.790 -5.566 443 HA PHE 57 HA PHE 57 19.108 27.242 -2.702 444 HB2 PHE 57 HB2 PHE 57 19.547 25.236 -4.525 445 HB3 PHE 57 HB1 PHE 57 21.154 25.933 -4.377 446 HD1 PHE 57 HD1 PHE 57 22.014 26.258 -1.913 447 HD2 PHE 57 HD2 PHE 57 18.875 23.617 -3.047 448 HE1 PHE 57 HE1 PHE 57 22.379 24.950 0.134 449 HE2 PHE 57 HE2 PHE 57 19.234 22.307 -0.998 450 HZ PHE 57 HZ PHE 57 20.988 22.973 0.596 451 H ASP 58 HN ASP 58 21.152 28.022 -1.845 452 HA ASP 58 HA ASP 58 22.057 30.411 -3.083 453 HB2 ASP 58 HB2 ASP 58 22.047 29.924 -0.605 454 HB3 ASP 58 HB1 ASP 58 23.439 28.881 -0.869 455 H GLN 59 HN GLN 59 22.892 27.152 -3.449 456 HA GLN 59 HA GLN 59 24.424 26.002 -4.633 457 HB2 GLN 59 HB2 GLN 59 24.929 28.676 -5.946 458 HB3 GLN 59 HB1 GLN 59 25.601 27.150 -6.503 459 HG2 GLN 59 HG2 GLN 59 23.274 26.309 -6.783 460 HG3 GLN 59 HG1 GLN 59 22.700 27.933 -6.409 461 HE21 GLN 59 HE21 GLN 59 22.378 26.367 -8.833 462 HE22 GLN 59 HE22 GLN 59 23.065 27.300 -10.118 463 H ILE 60 HN ILE 60 25.748 25.368 -3.069 464 HA ILE 60 HA ILE 60 28.126 26.996 -2.497 465 HB ILE 60 HB ILE 60 28.012 26.142 -0.147 466 HG12 ILE 60 HG12 ILE 60 25.284 25.213 -1.071 467 HG13 ILE 60 HG11 ILE 60 26.595 24.214 -0.456 468 HG21 ILE 60 HG21 ILE 60 26.267 27.718 0.590 469 HG22 ILE 60 HG22 ILE 60 25.698 27.840 -1.075 470 HG23 ILE 60 HG23 ILE 60 27.314 28.404 -0.651 471 HD11 ILE 60 HD11 ILE 60 24.877 24.473 1.209 472 HD12 ILE 60 HD12 ILE 60 25.004 26.228 1.105 473 HD13 ILE 60 HD13 ILE 60 26.353 25.283 1.736 474 H ASP 61 HN ASP 61 29.664 25.446 -1.090 475 HA ASP 61 HA ASP 61 30.224 23.178 -2.778 476 HB2 ASP 61 HB2 ASP 61 31.607 24.172 -0.273 477 HB3 ASP 61 HB1 ASP 61 32.189 22.854 -1.285 478 H ILE 62 HN ILE 62 28.724 21.623 -2.530 479 HA ILE 62 HA ILE 62 27.465 20.991 -0.079 480 HB ILE 62 HB ILE 62 27.572 19.590 -2.738 481 HG12 ILE 62 HG12 ILE 62 26.270 21.648 -2.599 482 HG13 ILE 62 HG11 ILE 62 25.209 20.260 -2.820 483 HG21 ILE 62 HG21 ILE 62 26.023 18.700 -0.311 484 HG22 ILE 62 HG22 ILE 62 27.366 17.841 -1.062 485 HG23 ILE 62 HG23 ILE 62 25.851 18.046 -1.941 486 HD11 ILE 62 HD11 ILE 62 25.742 21.676 -0.215 487 HD12 ILE 62 HD12 ILE 62 24.673 20.290 -0.439 488 HD13 ILE 62 HD13 ILE 62 24.292 21.830 -1.209 489 H GLY 63 HN GLY 63 30.197 19.548 -1.797 490 HA2 GLY 63 HA2 GLY 63 30.502 17.250 -0.219 491 HA3 GLY 63 HA1 GLY 63 31.794 18.048 -1.105 492 H VAL 64 HN VAL 64 31.461 20.554 0.361 493 HA VAL 64 HA VAL 64 33.199 19.969 2.551 494 HB VAL 64 HB VAL 64 31.873 22.565 1.735 495 HG11 VAL 64 HG11 VAL 64 32.488 22.628 4.089 496 HG12 VAL 64 HG12 VAL 64 33.558 23.662 3.143 497 HG13 VAL 64 HG13 VAL 64 34.117 22.083 3.693 498 HG21 VAL 64 HG21 VAL 64 34.083 23.122 0.816 499 HG22 VAL 64 HG22 VAL 64 33.385 21.702 0.039 500 HG23 VAL 64 HG23 VAL 64 34.657 21.510 1.246 501 H VAL 65 HN VAL 65 29.782 20.674 2.186 502 HA VAL 65 HA VAL 65 29.432 21.185 5.015 503 HB VAL 65 HB VAL 65 27.414 21.054 2.768 504 HG11 VAL 65 HG11 VAL 65 27.037 21.979 5.618 505 HG12 VAL 65 HG12 VAL 65 26.362 20.512 4.904 506 HG13 VAL 65 HG13 VAL 65 25.842 22.096 4.325 507 HG21 VAL 65 HG21 VAL 65 27.368 23.485 2.966 508 HG22 VAL 65 HG22 VAL 65 28.990 22.908 2.576 509 HG23 VAL 65 HG23 VAL 65 28.602 23.411 4.223 510 H ILE 66 HN ILE 66 28.197 18.719 2.699 511 HA ILE 66 HA ILE 66 26.802 17.430 4.873 512 HB ILE 66 HB ILE 66 25.894 15.880 3.265 513 HG12 ILE 66 HG12 ILE 66 27.553 17.228 1.130 514 HG13 ILE 66 HG11 ILE 66 28.014 15.706 1.889 515 HG21 ILE 66 HG21 ILE 66 24.835 18.055 3.463 516 HG22 ILE 66 HG22 ILE 66 24.728 17.469 1.803 517 HG23 ILE 66 HG23 ILE 66 25.908 18.710 2.224 518 HD11 ILE 66 HD11 ILE 66 25.496 16.207 0.319 519 HD12 ILE 66 HD12 ILE 66 25.953 14.684 1.081 520 HD13 ILE 66 HD13 ILE 66 26.922 15.332 -0.242 521 H THR 67 HN THR 67 29.549 16.564 2.791 522 HA THR 67 HA THR 67 29.785 14.040 4.215 523 HB THR 67 HB THR 67 31.708 13.696 2.525 524 HG1 THR 67 HG1 THR 67 31.505 16.097 1.961 525 HG21 THR 67 HG21 THR 67 28.847 13.943 1.587 526 HG22 THR 67 HG22 THR 67 29.568 12.539 2.374 527 HG23 THR 67 HG23 THR 67 30.114 13.028 0.770 528 H HIS 68 HN HIS 68 30.606 16.920 5.119 529 HA HIS 68 HA HIS 68 32.987 15.925 6.470 530 HB2 HIS 68 HB2 HIS 68 33.776 17.269 4.528 531 HB3 HIS 68 HB1 HIS 68 32.911 18.658 5.174 532 HD1 HIS 68 HD1 HIS 68 35.428 19.699 5.105 533 HD2 HIS 68 HD2 HIS 68 34.686 16.764 7.963 534 HE1 HIS 68 HE1 HIS 68 37.268 19.920 6.809 535 HE2 HIS 68 HE2 HIS 68 36.740 18.207 8.585 536 H PHE 69 HN PHE 69 31.077 15.734 7.985 537 HA PHE 69 HA PHE 69 30.023 17.994 9.278 538 HB2 PHE 69 HB2 PHE 69 30.420 15.138 10.104 539 HB3 PHE 69 HB1 PHE 69 29.898 16.324 11.291 540 HD1 PHE 69 HD2 PHE 69 27.722 17.397 11.103 541 HD2 PHE 69 HD1 PHE 69 28.951 14.377 8.371 542 HE1 PHE 69 HE2 PHE 69 25.386 17.101 10.388 543 HE2 PHE 69 HE1 PHE 69 26.617 14.072 7.652 544 HZ PHE 69 HZ PHE 69 24.832 15.436 8.663 545 H THR 70 HN THR 70 30.708 19.224 10.950 546 HA THR 70 HA THR 70 33.451 18.772 11.917 547 HB THR 70 HB THR 70 31.907 21.364 12.122 548 HG1 THR 70 HG1 THR 70 32.754 20.201 9.894 549 HG21 THR 70 HG21 THR 70 33.889 21.138 13.559 550 HG22 THR 70 HG22 THR 70 34.142 22.351 12.304 551 HG23 THR 70 HG23 THR 70 34.869 20.753 12.142 552 H ASP 71 HN ASP 71 33.775 19.381 14.260 553 HA ASP 71 HA ASP 71 31.721 18.110 15.807 554 HB2 ASP 71 HB2 ASP 71 33.296 18.587 17.736 555 HB3 ASP 71 HB1 ASP 71 33.931 17.575 16.444 556 H GLU 72 HN GLU 72 32.448 21.366 15.008 557 HA GLU 72 HA GLU 72 31.071 22.475 17.305 558 HB2 GLU 72 HB2 GLU 72 32.075 23.806 14.789 559 HB3 GLU 72 HB1 GLU 72 31.374 24.650 16.160 560 HG2 GLU 72 HG2 GLU 72 33.226 23.686 17.558 561 HG3 GLU 72 HG1 GLU 72 33.967 23.143 16.050 562 H LEU 73 HN LEU 73 30.424 21.973 13.871 563 HA LEU 73 HA LEU 73 27.759 23.138 14.234 564 HB2 LEU 73 HB2 LEU 73 27.765 23.268 11.715 565 HB3 LEU 73 HB1 LEU 73 28.910 24.305 12.538 566 HG LEU 73 HG LEU 73 30.627 22.424 12.064 567 HD11 LEU 73 HD11 LEU 73 28.532 21.762 10.000 568 HD12 LEU 73 HD12 LEU 73 29.041 20.725 11.333 569 HD13 LEU 73 HD13 LEU 73 30.178 21.130 10.044 570 HD21 LEU 73 HD21 LEU 73 31.113 23.391 9.868 571 HD22 LEU 73 HD22 LEU 73 30.697 24.632 11.050 572 HD23 LEU 73 HD23 LEU 73 29.512 24.131 9.844 573 HA PRO 74 HA PRO 74 26.216 23.208 12.367 574 HB2 PRO 74 HB2 PRO 74 23.602 22.559 12.188 575 HB3 PRO 74 HB1 PRO 74 24.763 22.201 10.908 576 HG2 PRO 74 HG2 PRO 74 23.524 20.388 12.894 577 HG3 PRO 74 HG1 PRO 74 24.074 20.050 11.243 578 HD2 PRO 74 HD2 PRO 74 25.441 19.442 13.622 579 HD3 PRO 74 HD1 PRO 74 26.104 19.393 11.979 580 H SER 75 HN SER 75 24.549 24.681 13.297 581 HA SER 75 HA SER 75 24.731 24.567 16.166 582 HB2 SER 75 HB2 SER 75 23.433 26.841 15.781 583 HB3 SER 75 HB1 SER 75 25.157 26.710 15.423 584 HG SER 75 HG SER 75 23.311 27.479 13.772 585 HA PRO 76 HA PRO 76 20.828 22.474 16.683 586 HB2 PRO 76 HB2 PRO 76 21.052 23.685 19.393 587 HB3 PRO 76 HB1 PRO 76 20.787 22.000 18.930 588 HG2 PRO 76 HG2 PRO 76 23.160 22.788 19.829 589 HG3 PRO 76 HG1 PRO 76 23.037 21.629 18.491 590 HD2 PRO 76 HD2 PRO 76 23.675 24.550 18.417 591 HD3 PRO 76 HD1 PRO 76 24.371 23.221 17.467 592 H GLU 77 HN GLU 77 21.363 25.810 17.675 593 HA GLU 77 HA GLU 77 18.690 26.583 18.040 594 HB2 GLU 77 HB2 GLU 77 21.044 28.222 17.080 595 HB3 GLU 77 HB1 GLU 77 19.522 28.880 17.665 596 HG2 GLU 77 HG2 GLU 77 19.915 27.994 19.856 597 HG3 GLU 77 HG1 GLU 77 21.362 27.155 19.297 598 H ASP 78 HN ASP 78 20.797 26.801 15.200 599 HA ASP 78 HA ASP 78 18.831 27.799 13.439 600 HB2 ASP 78 HB2 ASP 78 21.441 26.360 12.971 601 HB3 ASP 78 HB1 ASP 78 20.431 26.935 11.651 602 H VAL 79 HN VAL 79 19.821 24.553 14.350 603 HA VAL 79 HA VAL 79 18.405 23.115 12.403 604 HB VAL 79 HB VAL 79 19.023 22.313 15.254 605 HG11 VAL 79 HG11 VAL 79 17.223 20.946 14.347 606 HG12 VAL 79 HG12 VAL 79 18.711 20.007 14.474 607 HG13 VAL 79 HG13 VAL 79 18.183 20.614 12.905 608 HG21 VAL 79 HG21 VAL 79 20.901 21.096 14.251 609 HG22 VAL 79 HG22 VAL 79 21.012 22.830 13.947 610 HG23 VAL 79 HG23 VAL 79 20.469 21.743 12.669 611 H GLU 80 HN GLU 80 17.381 24.177 15.656 612 HA GLU 80 HA GLU 80 14.756 23.110 15.375 613 HB2 GLU 80 HB2 GLU 80 15.943 23.706 17.552 614 HB3 GLU 80 HB1 GLU 80 15.537 25.381 17.199 615 HG2 GLU 80 HG2 GLU 80 13.162 24.802 17.181 616 HG3 GLU 80 HG1 GLU 80 13.571 23.126 17.541 617 H ARG 81 HN ARG 81 16.253 26.195 14.653 618 HA ARG 81 HA ARG 81 13.924 27.671 14.092 619 HB2 ARG 81 HB2 ARG 81 16.010 28.828 14.351 620 HB3 ARG 81 HB1 ARG 81 16.746 27.912 13.044 621 HG2 ARG 81 HG2 ARG 81 15.309 29.009 11.427 622 HG3 ARG 81 HG1 ARG 81 14.489 29.882 12.721 623 HD2 ARG 81 HD2 ARG 81 16.448 31.123 13.238 624 HD3 ARG 81 HD1 ARG 81 17.447 30.091 12.214 625 HE ARG 81 HE ARG 81 15.890 31.042 10.363 626 HH11 ARG 81 HH11 ARG 81 17.072 32.813 13.155 627 HH12 ARG 81 HH12 ARG 81 17.175 34.325 12.303 628 HH21 ARG 81 HH21 ARG 81 15.968 33.049 9.270 629 HH22 ARG 81 HH22 ARG 81 16.506 34.470 10.118 630 H VAL 82 HN VAL 82 16.080 25.846 11.897 631 HA VAL 82 HA VAL 82 14.473 26.272 9.607 632 HB VAL 82 HB VAL 82 16.892 25.539 9.590 633 HG11 VAL 82 HG11 VAL 82 15.695 22.822 10.106 634 HG12 VAL 82 HG12 VAL 82 16.775 23.711 11.180 635 HG13 VAL 82 HG13 VAL 82 17.360 23.136 9.619 636 HG21 VAL 82 HG21 VAL 82 15.567 25.590 7.570 637 HG22 VAL 82 HG22 VAL 82 14.941 23.977 7.913 638 HG23 VAL 82 HG23 VAL 82 16.653 24.200 7.550 639 H ARG 83 HN ARG 83 14.450 23.863 12.142 640 HA ARG 83 HA ARG 83 12.635 22.039 11.066 641 HB2 ARG 83 HB2 ARG 83 13.785 21.500 13.089 642 HB3 ARG 83 HB1 ARG 83 13.166 22.924 13.903 643 HG2 ARG 83 HG2 ARG 83 11.146 21.001 12.950 644 HG3 ARG 83 HG1 ARG 83 12.189 20.457 14.265 645 HD2 ARG 83 HD2 ARG 83 11.605 22.542 15.501 646 HD3 ARG 83 HD1 ARG 83 10.456 22.927 14.219 647 HE ARG 83 HE ARG 83 9.472 20.628 14.867 648 HH11 ARG 83 HH11 ARG 83 10.908 22.925 17.086 649 HH12 ARG 83 HH12 ARG 83 9.989 22.380 18.455 650 HH21 ARG 83 HH21 ARG 83 8.247 19.920 16.634 651 HH22 ARG 83 HH22 ARG 83 8.451 20.669 18.197 652 H ALA 84 HN ALA 84 12.010 24.955 13.023 653 HA ALA 84 HA ALA 84 9.187 24.745 12.900 654 HB1 ALA 84 HB1 ALA 84 10.886 27.193 13.365 655 HB2 ALA 84 HB2 ALA 84 10.334 26.068 14.604 656 HB3 ALA 84 HB3 ALA 84 9.163 27.044 13.717 657 H ARG 85 HN ARG 85 11.567 26.403 10.907 658 HA ARG 85 HA ARG 85 9.783 27.905 9.330 659 HB2 ARG 85 HB2 ARG 85 12.538 27.612 9.526 660 HB3 ARG 85 HB1 ARG 85 12.174 27.028 7.908 661 HG2 ARG 85 HG2 ARG 85 11.244 29.686 8.963 662 HG3 ARG 85 HG1 ARG 85 12.748 29.458 8.071 663 HD2 ARG 85 HD2 ARG 85 11.521 28.678 6.135 664 HD3 ARG 85 HD1 ARG 85 10.001 28.757 7.029 665 HE ARG 85 HE ARG 85 10.299 31.184 7.119 666 HH11 ARG 85 HH11 ARG 85 12.062 29.388 4.665 667 HH12 ARG 85 HH12 ARG 85 12.354 30.793 3.686 668 HH21 ARG 85 HH21 ARG 85 10.673 33.013 5.790 669 HH22 ARG 85 HH22 ARG 85 11.577 32.827 4.308 670 H LEU 86 HN LEU 86 11.166 24.670 8.878 671 HA LEU 86 HA LEU 86 9.884 24.242 6.358 672 HB2 LEU 86 HB2 LEU 86 11.527 22.644 8.226 673 HB3 LEU 86 HB1 LEU 86 10.437 21.737 7.197 674 HG LEU 86 HG LEU 86 12.729 21.934 6.271 675 HD11 LEU 86 HD11 LEU 86 10.547 23.279 4.684 676 HD12 LEU 86 HD12 LEU 86 10.870 21.548 4.771 677 HD13 LEU 86 HD13 LEU 86 12.040 22.627 4.010 678 HD21 LEU 86 HD21 LEU 86 13.477 24.069 5.359 679 HD22 LEU 86 HD22 LEU 86 13.265 24.167 7.107 680 HD23 LEU 86 HD23 LEU 86 12.055 24.864 6.032 681 H ALA 87 HN ALA 87 9.137 23.427 9.703 682 HA ALA 87 HA ALA 87 7.046 21.624 9.247 683 HB1 ALA 87 HB1 ALA 87 7.394 23.500 11.580 684 HB2 ALA 87 HB2 ALA 87 8.129 21.903 11.420 685 HB3 ALA 87 HB3 ALA 87 6.376 22.059 11.544 686 H ALA 88 HN ALA 88 7.126 25.076 9.025 687 HA ALA 88 HA ALA 88 4.419 25.684 9.360 688 HB1 ALA 88 HB1 ALA 88 4.888 27.727 8.132 689 HB2 ALA 88 HB2 ALA 88 6.403 27.043 7.542 690 HB3 ALA 88 HB3 ALA 88 6.194 27.368 9.262 691 H GLN 89 HN GLN 89 6.129 24.297 6.649 692 HA GLN 89 HA GLN 89 3.718 24.483 4.985 693 HB2 GLN 89 HB2 GLN 89 6.571 23.774 4.291 694 HB3 GLN 89 HB1 GLN 89 5.237 23.616 3.162 695 HG2 GLN 89 HG2 GLN 89 6.295 25.652 2.660 696 HG3 GLN 89 HG1 GLN 89 4.792 26.059 3.480 697 HE21 GLN 89 HE21 GLN 89 7.731 24.930 5.053 698 HE22 GLN 89 HE22 GLN 89 8.056 26.401 5.904 699 H GLY 90 HN GLY 90 4.702 22.538 7.278 700 HA2 GLY 90 HA2 GLY 90 3.331 20.469 7.463 701 HA3 GLY 90 HA1 GLY 90 3.919 20.071 5.853 702 H TRP 91 HN TRP 91 4.258 18.256 7.851 703 HA TRP 91 HA TRP 91 7.155 18.173 8.022 704 HB2 TRP 91 HB2 TRP 91 6.248 19.331 10.114 705 HB3 TRP 91 HB1 TRP 91 5.550 17.773 10.544 706 HD1 TRP 91 HD1 TRP 91 7.139 16.012 11.640 707 HE1 TRP 91 HE1 TRP 91 9.624 16.032 12.324 708 HE3 TRP 91 HE3 TRP 91 8.578 20.328 9.314 709 HZ2 TRP 91 HZ2 TRP 91 11.904 17.674 11.912 710 HZ3 TRP 91 HZ3 TRP 91 10.919 21.052 9.509 711 HH2 TRP 91 HH2 TRP 91 12.539 19.753 10.783 712 HA PRO 92 HA PRO 92 5.397 14.069 7.177 713 HB2 PRO 92 HB2 PRO 92 7.130 13.363 5.261 714 HB3 PRO 92 HB1 PRO 92 5.794 14.473 4.937 715 HG2 PRO 92 HG2 PRO 92 8.689 15.058 5.380 716 HG3 PRO 92 HG1 PRO 92 7.550 15.811 4.249 717 HD2 PRO 92 HD2 PRO 92 8.305 16.875 6.697 718 HD3 PRO 92 HD1 PRO 92 6.836 17.312 5.806 719 H LEU 93 HN LEU 93 8.015 15.109 8.822 720 HA LEU 93 HA LEU 93 9.402 12.551 8.913 721 HB2 LEU 93 HB2 LEU 93 10.012 15.143 10.337 722 HB3 LEU 93 HB1 LEU 93 11.007 13.700 10.382 723 HG LEU 93 HG LEU 93 10.452 15.414 7.960 724 HD11 LEU 93 HD11 LEU 93 12.966 14.932 9.553 725 HD12 LEU 93 HD12 LEU 93 12.012 16.416 9.531 726 HD13 LEU 93 HD13 LEU 93 12.851 15.885 8.074 727 HD21 LEU 93 HD21 LEU 93 12.123 12.916 8.219 728 HD22 LEU 93 HD22 LEU 93 12.014 13.944 6.790 729 HD23 LEU 93 HD23 LEU 93 10.596 13.056 7.348 730 H ASP 94 HN ASP 94 7.593 11.439 9.805 731 HA ASP 94 HA ASP 94 7.361 11.825 12.721 732 HB2 ASP 94 HB2 ASP 94 5.224 10.567 12.558 733 HB3 ASP 94 HB1 ASP 94 5.197 12.073 11.648 734 H ASP 95 HN ASP 95 9.143 10.255 10.697 735 HA ASP 95 HA ASP 95 8.800 7.518 11.457 736 HB2 ASP 95 HB2 ASP 95 10.006 8.596 9.356 737 HB3 ASP 95 HB1 ASP 95 11.407 8.561 10.423 738 H VAL 96 HN VAL 96 10.765 6.361 12.473 739 HA VAL 96 HA VAL 96 11.879 7.998 14.621 740 HB VAL 96 HB VAL 96 9.744 6.935 15.390 741 HG11 VAL 96 HG11 VAL 96 11.297 4.372 15.125 742 HG12 VAL 96 HG12 VAL 96 9.859 4.833 14.213 743 HG13 VAL 96 HG13 VAL 96 9.749 4.553 15.950 744 HG21 VAL 96 HG21 VAL 96 12.265 6.136 16.824 745 HG22 VAL 96 HG22 VAL 96 10.654 6.160 17.537 746 HG23 VAL 96 HG23 VAL 96 11.398 7.661 16.983 747 H ARG 97 HN ARG 97 13.922 7.538 15.062 748 HA ARG 97 HA ARG 97 15.265 5.473 13.548 749 HB2 ARG 97 HB2 ARG 97 17.252 6.463 14.967 750 HB3 ARG 97 HB1 ARG 97 16.630 7.284 13.549 751 HG2 ARG 97 HG2 ARG 97 17.010 8.873 15.314 752 HG3 ARG 97 HG1 ARG 97 15.278 8.732 15.014 753 HD2 ARG 97 HD2 ARG 97 15.770 8.823 17.405 754 HD3 ARG 97 HD1 ARG 97 15.048 7.280 16.956 755 HE ARG 97 HE ARG 97 17.842 7.012 16.888 756 HH11 ARG 97 HH11 ARG 97 15.253 7.487 19.197 757 HH12 ARG 97 HH12 ARG 97 16.095 6.700 20.497 758 HH21 ARG 97 HH21 ARG 97 18.949 5.981 18.592 759 HH22 ARG 97 HH22 ARG 97 18.199 5.866 20.161 760 H ASP 98 HN ASP 98 13.471 5.033 15.909 761 HA ASP 98 HA ASP 98 15.089 3.926 17.990 762 HB2 ASP 98 HB2 ASP 98 12.682 4.899 18.153 763 HB3 ASP 98 HB1 ASP 98 12.171 3.299 17.625 764 H ARG 99 HN ARG 99 16.321 2.610 16.431 765 HA ARG 99 HA ARG 99 15.273 -0.122 16.510 766 HB2 ARG 99 HB2 ARG 99 15.033 1.024 14.171 767 HB3 ARG 99 HB1 ARG 99 16.777 0.833 14.084 768 HG2 ARG 99 HG2 ARG 99 16.366 -1.634 14.564 769 HG3 ARG 99 HG1 ARG 99 14.669 -1.297 14.213 770 HD2 ARG 99 HD2 ARG 99 15.619 -2.060 12.188 771 HD3 ARG 99 HD1 ARG 99 15.450 -0.312 12.021 772 HE ARG 99 HE ARG 99 18.020 -1.463 12.864 773 HH11 ARG 99 HH11 ARG 99 16.140 0.398 10.566 774 HH12 ARG 99 HH12 ARG 99 17.530 0.873 9.629 775 HH21 ARG 99 HH21 ARG 99 19.833 -0.826 11.675 776 HH22 ARG 99 HH22 ARG 99 19.647 0.177 10.262 777 H GLU 100 HN GLU 100 17.218 1.711 17.867 778 HA GLU 100 HA GLU 100 19.797 0.522 17.172 779 HB2 GLU 100 HB2 GLU 100 19.099 2.926 18.859 780 HB3 GLU 100 HB1 GLU 100 20.732 2.326 18.618 781 HG2 GLU 100 HG2 GLU 100 20.595 2.799 16.255 782 HG3 GLU 100 HG1 GLU 100 18.916 3.307 16.431 783 H GLU 101 HN GLU 101 19.554 -1.486 18.212 784 HA GLU 101 HA GLU 101 19.170 -1.559 21.068 785 HB2 GLU 101 HB2 GLU 101 20.134 -3.693 19.154 786 HB3 GLU 101 HB1 GLU 101 19.726 -3.955 20.845 787 HG2 GLU 101 HG2 GLU 101 17.781 -2.875 18.832 788 HG3 GLU 101 HG1 GLU 101 17.961 -4.594 19.175 789 H HIS 102 HN HIS 102 20.794 0.069 21.426 790 HA HIS 102 HA HIS 102 23.541 -0.997 21.422 791 HB2 HIS 102 HB2 HIS 102 23.197 0.761 19.680 792 HB3 HIS 102 HB1 HIS 102 22.726 1.884 20.950 793 HD1 HIS 102 HD1 HIS 102 24.571 3.466 21.387 794 HD2 HIS 102 HD2 HIS 102 25.981 -0.347 20.494 795 HE1 HIS 102 HE1 HIS 102 27.078 3.620 21.516 796 HE2 HIS 102 HE2 HIS 102 27.908 1.368 20.745 797 H ALA 103 HN ALA 103 23.653 -1.587 23.514 798 HA ALA 103 HA ALA 103 22.990 0.441 25.541 799 HB1 ALA 103 HB1 ALA 103 23.012 -2.560 25.845 800 HB2 ALA 103 HB2 ALA 103 21.574 -1.553 25.675 801 HB3 ALA 103 HB3 ALA 103 22.600 -1.392 27.100 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 0.841 2.986 0.571 2 H2 GLY 1 HT2 GLY 1 0.062 1.577 0.039 3 H3 GLY 1 HT3 GLY 1 0.104 2.953 -0.956 4 HA2 GLY 1 HA1 GLY 1 2.446 1.322 -0.142 5 HA3 GLY 1 HA2 GLY 1 1.693 1.326 -1.734 6 H SER 2 HN SER 2 4.261 2.457 -0.074 7 HA SER 2 HA SER 2 4.325 5.086 -1.337 8 HB2 SER 2 HB2 SER 2 6.430 5.361 -0.003 9 HB3 SER 2 HB1 SER 2 5.004 5.027 0.979 10 HG SER 2 HG SER 2 5.834 3.167 1.564 11 H HIS 3 HN HIS 3 6.106 5.758 -2.642 12 HA HIS 3 HA HIS 3 7.868 3.677 -3.674 13 HB2 HIS 3 HB2 HIS 3 5.934 5.273 -5.327 14 HB3 HIS 3 HB1 HIS 3 7.462 4.748 -6.023 15 HD1 HIS 3 HD1 HIS 3 4.050 3.620 -5.404 16 HD2 HIS 3 HD2 HIS 3 7.766 1.822 -5.952 17 HE1 HIS 3 HE1 HIS 3 3.570 1.227 -5.996 18 HE2 HIS 3 HE2 HIS 3 5.817 0.179 -6.423 19 H MET 4 HN MET 4 9.849 4.403 -4.310 20 HA MET 4 HA MET 4 10.883 6.524 -2.876 21 HB2 MET 4 HB2 MET 4 12.102 5.339 -5.372 22 HB3 MET 4 HB1 MET 4 12.952 6.183 -4.087 23 HG2 MET 4 HG2 MET 4 13.390 3.921 -3.723 24 HG3 MET 4 HG1 MET 4 12.149 4.338 -2.543 25 HE1 MET 4 HE1 MET 4 11.354 1.965 -6.428 26 HE2 MET 4 HE2 MET 4 12.954 2.494 -5.908 27 HE3 MET 4 HE3 MET 4 11.756 3.683 -6.420 28 H ASN 5 HN ASN 5 10.011 6.432 -6.310 29 HA ASN 5 HA ASN 5 11.162 8.825 -7.117 30 HB2 ASN 5 HB2 ASN 5 10.147 7.068 -8.595 31 HB3 ASN 5 HB1 ASN 5 8.560 7.680 -8.154 32 HD21 ASN 5 HD21 ASN 5 9.788 7.509 -10.755 33 HD22 ASN 5 HD22 ASN 5 9.833 9.119 -11.390 34 H ARG 6 HN ARG 6 7.843 8.283 -5.920 35 HA ARG 6 HA ARG 6 7.175 11.054 -6.107 36 HB2 ARG 6 HB2 ARG 6 5.797 8.768 -4.694 37 HB3 ARG 6 HB1 ARG 6 5.145 10.398 -4.785 38 HG2 ARG 6 HG2 ARG 6 5.157 10.216 -7.254 39 HG3 ARG 6 HG1 ARG 6 5.687 8.541 -7.091 40 HD2 ARG 6 HD2 ARG 6 3.652 8.059 -5.782 41 HD3 ARG 6 HD1 ARG 6 3.117 9.719 -6.038 42 HE ARG 6 HE ARG 6 3.460 8.901 -8.554 43 HH11 ARG 6 HH11 ARG 6 1.799 7.446 -5.835 44 HH12 ARG 6 HH12 ARG 6 0.742 6.487 -6.828 45 HH21 ARG 6 HH21 ARG 6 2.048 7.681 -9.867 46 HH22 ARG 6 HH22 ARG 6 0.857 6.646 -9.129 47 H PHE 7 HN PHE 7 8.356 8.944 -3.560 48 HA PHE 7 HA PHE 7 7.926 10.669 -1.380 49 HB2 PHE 7 HB2 PHE 7 8.523 8.250 -1.202 50 HB3 PHE 7 HB1 PHE 7 10.159 8.649 -1.712 51 HD1 PHE 7 HD2 PHE 7 7.655 9.178 0.950 52 HD2 PHE 7 HD1 PHE 7 11.750 9.450 -0.171 53 HE1 PHE 7 HE2 PHE 7 8.262 9.617 3.294 54 HE2 PHE 7 HE1 PHE 7 12.366 9.888 2.170 55 HZ PHE 7 HZ PHE 7 10.621 9.973 3.907 56 H LEU 8 HN LEU 8 10.797 10.192 -3.431 57 HA LEU 8 HA LEU 8 12.412 12.142 -2.225 58 HB2 LEU 8 HB2 LEU 8 12.394 11.181 -5.086 59 HB3 LEU 8 HB1 LEU 8 13.672 12.137 -4.361 60 HG LEU 8 HG LEU 8 12.877 9.350 -3.511 61 HD11 LEU 8 HD11 LEU 8 15.283 10.338 -5.034 62 HD12 LEU 8 HD12 LEU 8 13.960 9.372 -5.688 63 HD13 LEU 8 HD13 LEU 8 15.031 8.689 -4.464 64 HD21 LEU 8 HD21 LEU 8 14.890 9.440 -2.122 65 HD22 LEU 8 HD22 LEU 8 13.726 10.678 -1.650 66 HD23 LEU 8 HD23 LEU 8 15.145 11.118 -2.599 67 H THR 9 HN THR 9 10.161 12.362 -4.947 68 HA THR 9 HA THR 9 10.605 15.054 -5.583 69 HB THR 9 HB THR 9 8.012 13.523 -5.873 70 HG1 THR 9 HG1 THR 9 9.448 12.321 -6.995 71 HG21 THR 9 HG21 THR 9 7.777 15.931 -6.252 72 HG22 THR 9 HG22 THR 9 7.608 15.036 -7.763 73 HG23 THR 9 HG23 THR 9 9.111 15.886 -7.406 74 H SER 10 HN SER 10 8.485 13.520 -3.211 75 HA SER 10 HA SER 10 7.103 15.850 -2.409 76 HB2 SER 10 HB2 SER 10 7.709 13.353 -0.801 77 HB3 SER 10 HB1 SER 10 6.486 14.563 -0.406 78 HG SER 10 HG SER 10 6.559 12.916 -2.729 79 H ILE 11 HN ILE 11 10.105 14.329 -1.315 80 HA ILE 11 HA ILE 11 10.660 16.069 0.826 81 HB ILE 11 HB ILE 11 12.611 14.633 -0.987 82 HG12 ILE 11 HG12 ILE 11 11.067 13.095 0.124 83 HG13 ILE 11 HG11 ILE 11 12.685 12.938 0.799 84 HG21 ILE 11 HG21 ILE 11 14.211 14.869 0.861 85 HG22 ILE 11 HG22 ILE 11 13.040 15.854 1.736 86 HG23 ILE 11 HG23 ILE 11 13.712 16.431 0.212 87 HD11 ILE 11 HD11 ILE 11 10.395 14.446 2.040 88 HD12 ILE 11 HD12 ILE 11 12.014 14.283 2.720 89 HD13 ILE 11 HD13 ILE 11 10.988 12.860 2.533 90 H VAL 12 HN VAL 12 11.730 16.179 -2.564 91 HA VAL 12 HA VAL 12 13.164 18.544 -2.540 92 HB VAL 12 HB VAL 12 11.401 17.493 -4.763 93 HG11 VAL 12 HG11 VAL 12 12.814 18.810 -6.267 94 HG12 VAL 12 HG12 VAL 12 13.667 19.480 -4.876 95 HG13 VAL 12 HG13 VAL 12 11.957 19.837 -5.118 96 HG21 VAL 12 HG21 VAL 12 14.345 17.104 -4.246 97 HG22 VAL 12 HG22 VAL 12 13.455 16.513 -5.649 98 HG23 VAL 12 HG23 VAL 12 13.086 15.886 -4.042 99 H ALA 13 HN ALA 13 9.694 18.115 -3.202 100 HA ALA 13 HA ALA 13 9.046 20.811 -3.564 101 HB1 ALA 13 HB1 ALA 13 7.302 18.615 -2.453 102 HB2 ALA 13 HB2 ALA 13 7.541 18.976 -4.163 103 HB3 ALA 13 HB3 ALA 13 6.743 20.149 -3.116 104 H TRP 14 HN TRP 14 8.975 18.812 -0.643 105 HA TRP 14 HA TRP 14 8.020 20.703 1.166 106 HB2 TRP 14 HB2 TRP 14 8.108 18.427 1.829 107 HB3 TRP 14 HB1 TRP 14 9.820 18.303 1.457 108 HD1 TRP 14 HD1 TRP 14 7.943 20.751 3.836 109 HE1 TRP 14 HE1 TRP 14 9.073 20.608 6.145 110 HE3 TRP 14 HE3 TRP 14 11.416 17.157 2.797 111 HZ2 TRP 14 HZ2 TRP 14 11.178 19.148 7.362 112 HZ3 TRP 14 HZ3 TRP 14 12.945 16.436 4.580 113 HH2 TRP 14 HH2 TRP 14 12.832 17.405 6.815 114 H LEU 15 HN LEU 15 11.384 19.884 0.353 115 HA LEU 15 HA LEU 15 12.637 21.658 2.100 116 HB2 LEU 15 HB2 LEU 15 13.598 20.736 -0.609 117 HB3 LEU 15 HB1 LEU 15 14.599 21.463 0.632 118 HG LEU 15 HG LEU 15 13.231 18.777 0.758 119 HD11 LEU 15 HD11 LEU 15 16.138 19.571 0.711 120 HD12 LEU 15 HD12 LEU 15 15.239 18.827 -0.611 121 HD13 LEU 15 HD13 LEU 15 15.519 17.928 0.881 122 HD21 LEU 15 HD21 LEU 15 13.151 19.863 2.945 123 HD22 LEU 15 HD22 LEU 15 14.884 20.188 2.856 124 HD23 LEU 15 HD23 LEU 15 14.302 18.525 2.945 125 H ARG 16 HN ARG 16 11.782 22.128 -1.331 126 HA ARG 16 HA ARG 16 12.849 24.767 -1.376 127 HB2 ARG 16 HB2 ARG 16 12.097 24.916 -3.607 128 HB3 ARG 16 HB1 ARG 16 12.593 23.250 -3.372 129 HG2 ARG 16 HG2 ARG 16 10.203 22.647 -3.044 130 HG3 ARG 16 HG1 ARG 16 9.780 24.310 -3.468 131 HD2 ARG 16 HD2 ARG 16 11.008 22.177 -5.179 132 HD3 ARG 16 HD1 ARG 16 9.565 23.145 -5.480 133 HE ARG 16 HE ARG 16 11.916 24.755 -5.329 134 HH11 ARG 16 HH11 ARG 16 10.012 22.726 -7.460 135 HH12 ARG 16 HH12 ARG 16 10.705 23.391 -8.910 136 HH21 ARG 16 HH21 ARG 16 12.839 25.617 -7.221 137 HH22 ARG 16 HH22 ARG 16 12.324 25.023 -8.779 138 H ALA 17 HN ALA 17 9.617 23.449 -0.841 139 HA ALA 17 HA ALA 17 8.244 25.928 -0.903 140 HB1 ALA 17 HB1 ALA 17 7.517 23.415 0.603 141 HB2 ALA 17 HB2 ALA 17 7.073 23.782 -1.063 142 HB3 ALA 17 HB3 ALA 17 6.440 24.768 0.256 143 H GLY 18 HN GLY 18 10.082 24.236 1.531 144 HA2 GLY 18 HA2 GLY 18 9.425 25.712 3.798 145 HA3 GLY 18 HA1 GLY 18 10.999 24.996 3.488 146 H TYR 19 HN TYR 19 11.508 26.550 1.084 147 HA TYR 19 HA TYR 19 11.617 29.279 2.118 148 HB2 TYR 19 HB2 TYR 19 14.004 27.565 1.520 149 HB3 TYR 19 HB1 TYR 19 14.092 29.309 1.288 150 HD1 TYR 19 HD2 TYR 19 13.980 30.823 3.173 151 HD2 TYR 19 HD1 TYR 19 13.825 26.612 3.756 152 HE1 TYR 19 HE2 TYR 19 14.402 31.148 5.568 153 HE2 TYR 19 HE1 TYR 19 14.227 26.922 6.163 154 HH TYR 19 HH TYR 19 15.440 29.003 7.603 155 HA PRO 20 HA PRO 20 10.589 29.351 -2.375 156 HB2 PRO 20 HB2 PRO 20 8.796 31.390 -2.114 157 HB3 PRO 20 HB1 PRO 20 8.356 29.688 -1.934 158 HG2 PRO 20 HG2 PRO 20 8.923 31.733 0.175 159 HG3 PRO 20 HG1 PRO 20 7.657 30.493 0.129 160 HD2 PRO 20 HD2 PRO 20 9.927 30.208 1.579 161 HD3 PRO 20 HD1 PRO 20 9.086 28.830 0.842 162 H GLU 21 HN GLU 21 11.696 31.504 0.028 163 HA GLU 21 HA GLU 21 12.402 33.705 -1.679 164 HB2 GLU 21 HB2 GLU 21 13.586 33.052 1.020 165 HB3 GLU 21 HB1 GLU 21 13.434 34.629 0.261 166 HG2 GLU 21 HG2 GLU 21 11.092 32.967 1.155 167 HG3 GLU 21 HG1 GLU 21 11.857 34.209 2.143 168 H GLY 22 HN GLY 22 13.586 30.622 -1.219 169 HA2 GLY 22 HA2 GLY 22 15.592 29.763 -2.201 170 HA3 GLY 22 HA1 GLY 22 16.322 31.358 -2.012 171 H ILE 23 HN ILE 23 17.476 28.914 -1.046 172 HA ILE 23 HA ILE 23 16.994 29.057 1.841 173 HB ILE 23 HB ILE 23 18.567 26.991 0.282 174 HG12 ILE 23 HG12 ILE 23 16.641 25.503 1.190 175 HG13 ILE 23 HG11 ILE 23 15.771 27.017 1.403 176 HG21 ILE 23 HG21 ILE 23 17.834 27.087 3.209 177 HG22 ILE 23 HG22 ILE 23 19.450 27.281 2.527 178 HG23 ILE 23 HG23 ILE 23 18.617 25.733 2.391 179 HD11 ILE 23 HD11 ILE 23 16.857 25.956 -1.197 180 HD12 ILE 23 HD12 ILE 23 15.985 27.474 -0.985 181 HD13 ILE 23 HD13 ILE 23 15.169 25.939 -0.684 182 HA PRO 24 HA PRO 24 20.698 31.643 1.821 183 HB2 PRO 24 HB2 PRO 24 20.511 32.190 4.527 184 HB3 PRO 24 HB1 PRO 24 19.741 33.132 3.250 185 HG2 PRO 24 HG2 PRO 24 18.574 31.083 5.061 186 HG3 PRO 24 HG1 PRO 24 17.837 32.546 4.390 187 HD2 PRO 24 HD2 PRO 24 17.317 30.044 3.458 188 HD3 PRO 24 HD1 PRO 24 17.233 31.499 2.447 189 HA PRO 25 HA PRO 25 23.743 28.788 3.204 190 HB2 PRO 25 HB2 PRO 25 25.429 31.067 4.004 191 HB3 PRO 25 HB1 PRO 25 25.692 29.860 2.743 192 HG2 PRO 25 HG2 PRO 25 25.071 32.388 2.136 193 HG3 PRO 25 HG1 PRO 25 24.455 31.028 1.180 194 HD2 PRO 25 HD2 PRO 25 23.068 32.637 3.295 195 HD3 PRO 25 HD1 PRO 25 22.459 32.086 1.718 196 H THR 26 HN THR 26 21.849 29.821 5.335 197 HA THR 26 HA THR 26 23.593 29.139 7.612 198 HB THR 26 HB THR 26 20.904 30.521 7.761 199 HG1 THR 26 HG1 THR 26 21.932 32.328 7.414 200 HG21 THR 26 HG21 THR 26 21.585 31.033 10.065 201 HG22 THR 26 HG22 THR 26 23.077 30.124 9.825 202 HG23 THR 26 HG23 THR 26 21.522 29.293 9.783 203 H ASP 27 HN ASP 27 20.247 28.950 6.510 204 HA ASP 27 HA ASP 27 19.471 26.818 8.168 205 HB2 ASP 27 HB2 ASP 27 18.202 27.602 5.544 206 HB3 ASP 27 HB1 ASP 27 17.423 26.851 6.933 207 H SER 28 HN SER 28 21.293 26.859 5.305 208 HA SER 28 HA SER 28 20.487 24.505 4.031 209 HB2 SER 28 HB2 SER 28 23.368 25.001 3.922 210 HB3 SER 28 HB1 SER 28 22.173 25.015 2.623 211 HG SER 28 HG SER 28 21.639 27.128 3.170 212 H PHE 29 HN PHE 29 22.766 25.070 6.671 213 HA PHE 29 HA PHE 29 23.648 22.327 6.714 214 HB2 PHE 29 HB2 PHE 29 24.116 24.559 8.706 215 HB3 PHE 29 HB1 PHE 29 24.921 22.994 8.722 216 HD1 PHE 29 HD1 PHE 29 24.849 23.299 5.434 217 HD2 PHE 29 HD2 PHE 29 26.505 25.412 8.734 218 HE1 PHE 29 HE1 PHE 29 26.602 24.204 3.969 219 HE2 PHE 29 HE2 PHE 29 28.259 26.327 7.272 220 HZ PHE 29 HZ PHE 29 28.309 25.725 4.885 221 H ALA 30 HN ALA 30 21.354 24.332 8.442 222 HA ALA 30 HA ALA 30 20.572 22.483 10.399 223 HB1 ALA 30 HB1 ALA 30 18.504 23.783 10.521 224 HB2 ALA 30 HB2 ALA 30 18.926 24.599 9.016 225 HB3 ALA 30 HB3 ALA 30 19.921 24.833 10.457 226 H VAL 31 HN VAL 31 19.239 23.127 7.147 227 HA VAL 31 HA VAL 31 17.356 21.079 7.038 228 HB VAL 31 HB VAL 31 19.079 22.165 4.794 229 HG11 VAL 31 HG11 VAL 31 18.205 19.976 4.185 230 HG12 VAL 31 HG12 VAL 31 17.396 21.247 3.268 231 HG13 VAL 31 HG13 VAL 31 16.578 20.487 4.633 232 HG21 VAL 31 HG21 VAL 31 17.671 23.847 5.842 233 HG22 VAL 31 HG22 VAL 31 16.257 22.815 5.632 234 HG23 VAL 31 HG23 VAL 31 17.087 23.470 4.222 235 H LEU 32 HN LEU 32 20.790 21.026 6.176 236 HA LEU 32 HA LEU 32 21.107 18.370 5.480 237 HB2 LEU 32 HB2 LEU 32 22.963 19.741 5.187 238 HB3 LEU 32 HB1 LEU 32 22.869 20.388 6.812 239 HG LEU 32 HG LEU 32 23.660 18.203 7.688 240 HD11 LEU 32 HD11 LEU 32 22.913 16.776 5.856 241 HD12 LEU 32 HD12 LEU 32 24.643 16.585 6.146 242 HD13 LEU 32 HD13 LEU 32 24.078 17.541 4.774 243 HD21 LEU 32 HD21 LEU 32 25.212 20.026 7.349 244 HD22 LEU 32 HD22 LEU 32 25.432 19.559 5.662 245 HD23 LEU 32 HD23 LEU 32 25.987 18.491 6.952 246 H ALA 33 HN ALA 33 21.250 19.811 8.726 247 HA ALA 33 HA ALA 33 21.878 17.450 10.104 248 HB1 ALA 33 HB1 ALA 33 21.212 18.642 12.115 249 HB2 ALA 33 HB2 ALA 33 20.422 19.879 11.135 250 HB3 ALA 33 HB3 ALA 33 22.174 19.677 11.059 251 H LEU 34 HN LEU 34 18.744 18.900 9.292 252 HA LEU 34 HA LEU 34 17.231 16.975 10.753 253 HB2 LEU 34 HB2 LEU 34 16.582 19.081 8.752 254 HB3 LEU 34 HB1 LEU 34 15.393 17.833 9.046 255 HG LEU 34 HG LEU 34 14.849 19.714 10.409 256 HD11 LEU 34 HD11 LEU 34 14.500 17.545 11.441 257 HD12 LEU 34 HD12 LEU 34 14.949 18.746 12.653 258 HD13 LEU 34 HD13 LEU 34 16.139 17.573 12.090 259 HD21 LEU 34 HD21 LEU 34 17.016 20.809 10.426 260 HD22 LEU 34 HD22 LEU 34 17.656 19.552 11.484 261 HD23 LEU 34 HD23 LEU 34 16.388 20.632 12.064 262 H LEU 35 HN LEU 35 18.062 17.304 7.310 263 HA LEU 35 HA LEU 35 16.551 15.094 6.435 264 HB2 LEU 35 HB2 LEU 35 18.947 16.467 5.244 265 HB3 LEU 35 HB1 LEU 35 18.111 15.154 4.441 266 HG LEU 35 HG LEU 35 16.939 17.841 5.157 267 HD11 LEU 35 HD11 LEU 35 16.821 18.142 2.736 268 HD12 LEU 35 HD12 LEU 35 17.610 16.582 2.500 269 HD13 LEU 35 HD13 LEU 35 18.484 17.905 3.273 270 HD21 LEU 35 HD21 LEU 35 15.270 16.075 5.366 271 HD22 LEU 35 HD22 LEU 35 15.682 15.480 3.757 272 HD23 LEU 35 HD23 LEU 35 14.954 17.075 3.949 273 H CYS 36 HN CYS 36 19.870 15.340 7.590 274 HA CYS 36 HA CYS 36 20.762 12.844 6.637 275 HB2 CYS 36 HB2 CYS 36 22.230 14.729 7.356 276 HB3 CYS 36 HB1 CYS 36 21.814 14.369 9.027 277 HG CYS 36 HG CYS 36 22.943 11.695 7.412 278 H ARG 37 HN ARG 37 18.643 13.562 9.203 279 HA ARG 37 HA ARG 37 19.310 11.175 10.727 280 HB2 ARG 37 HB2 ARG 37 17.029 13.109 11.171 281 HB3 ARG 37 HB1 ARG 37 17.650 11.921 12.314 282 HG2 ARG 37 HG2 ARG 37 19.778 13.112 12.397 283 HG3 ARG 37 HG1 ARG 37 19.157 14.299 11.252 284 HD2 ARG 37 HD2 ARG 37 17.285 14.669 12.974 285 HD3 ARG 37 HD1 ARG 37 18.351 13.826 14.100 286 HE ARG 37 HE ARG 37 19.019 16.332 12.701 287 HH11 ARG 37 HH11 ARG 37 19.465 14.126 15.392 288 HH12 ARG 37 HH12 ARG 37 20.486 15.229 16.278 289 HH21 ARG 37 HH21 ARG 37 20.358 17.767 13.861 290 HH22 ARG 37 HH22 ARG 37 21.002 17.295 15.402 291 H ARG 38 HN ARG 38 17.472 11.944 8.061 292 HA ARG 38 HA ARG 38 15.771 9.549 8.404 293 HB2 ARG 38 HB2 ARG 38 14.729 11.917 8.005 294 HB3 ARG 38 HB1 ARG 38 15.296 11.715 6.360 295 HG2 ARG 38 HG2 ARG 38 13.489 9.711 7.673 296 HG3 ARG 38 HG1 ARG 38 12.877 11.143 6.866 297 HD2 ARG 38 HD2 ARG 38 12.717 9.602 5.189 298 HD3 ARG 38 HD1 ARG 38 14.305 10.279 4.867 299 HE ARG 38 HE ARG 38 15.014 8.207 6.326 300 HH11 ARG 38 HH11 ARG 38 12.529 8.359 3.864 301 HH12 ARG 38 HH12 ARG 38 12.745 6.714 3.349 302 HH21 ARG 38 HH21 ARG 38 15.300 6.034 5.667 303 HH22 ARG 38 HH22 ARG 38 14.324 5.389 4.372 304 H LEU 39 HN LEU 39 17.500 11.519 6.061 305 HA LEU 39 HA LEU 39 17.821 9.186 4.311 306 HB2 LEU 39 HB2 LEU 39 18.007 12.140 3.697 307 HB3 LEU 39 HB1 LEU 39 18.118 10.838 2.527 308 HG LEU 39 HG LEU 39 15.640 11.293 4.209 309 HD11 LEU 39 HD11 LEU 39 14.696 12.437 2.262 310 HD12 LEU 39 HD12 LEU 39 16.251 12.339 1.435 311 HD13 LEU 39 HD13 LEU 39 16.090 13.311 2.899 312 HD21 LEU 39 HD21 LEU 39 14.584 9.981 2.428 313 HD22 LEU 39 HD22 LEU 39 15.884 9.078 3.206 314 HD23 LEU 39 HD23 LEU 39 16.143 9.808 1.622 315 H SER 40 HN SER 40 19.910 8.876 3.310 316 HA SER 40 HA SER 40 22.007 9.514 5.204 317 HB2 SER 40 HB2 SER 40 21.564 7.199 4.181 318 HB3 SER 40 HB1 SER 40 22.315 7.836 2.720 319 HG SER 40 HG SER 40 23.442 7.386 5.264 320 H HIS 41 HN HIS 41 24.281 9.749 3.958 321 HA HIS 41 HA HIS 41 24.233 12.408 3.066 322 HB2 HIS 41 HB2 HIS 41 26.641 12.147 2.605 323 HB3 HIS 41 HB1 HIS 41 26.191 11.544 4.193 324 HD1 HIS 41 HD1 HIS 41 26.489 9.028 4.633 325 HD2 HIS 41 HD2 HIS 41 27.518 10.194 0.773 326 HE1 HIS 41 HE1 HIS 41 27.753 7.089 3.647 327 HE2 HIS 41 HE2 HIS 41 28.186 7.742 1.252 328 H ASP 42 HN ASP 42 24.190 9.401 1.249 329 HA ASP 42 HA ASP 42 24.790 10.611 -1.263 330 HB2 ASP 42 HB2 ASP 42 25.051 8.204 -0.934 331 HB3 ASP 42 HB1 ASP 42 23.322 8.036 -0.648 332 H GLU 43 HN GLU 43 21.793 9.844 0.447 333 HA GLU 43 HA GLU 43 19.980 10.657 -1.526 334 HB2 GLU 43 HB2 GLU 43 19.823 10.500 1.465 335 HB3 GLU 43 HB1 GLU 43 18.502 11.204 0.548 336 HG2 GLU 43 HG2 GLU 43 17.999 8.920 1.017 337 HG3 GLU 43 HG1 GLU 43 18.294 9.096 -0.710 338 H VAL 44 HN VAL 44 21.370 12.509 1.194 339 HA VAL 44 HA VAL 44 20.039 14.915 0.476 340 HB VAL 44 HB VAL 44 21.509 16.058 2.061 341 HG11 VAL 44 HG11 VAL 44 19.565 14.899 2.917 342 HG12 VAL 44 HG12 VAL 44 20.895 14.787 4.072 343 HG13 VAL 44 HG13 VAL 44 20.490 13.403 3.056 344 HG21 VAL 44 HG21 VAL 44 23.604 14.918 1.604 345 HG22 VAL 44 HG22 VAL 44 22.954 13.419 2.267 346 HG23 VAL 44 HG23 VAL 44 23.211 14.812 3.320 347 H LYS 45 HN LYS 45 23.168 13.554 -0.349 348 HA LYS 45 HA LYS 45 24.266 15.804 -1.637 349 HB2 LYS 45 HB2 LYS 45 25.688 13.972 -1.096 350 HB3 LYS 45 HB1 LYS 45 24.685 12.834 -1.967 351 HG2 LYS 45 HG2 LYS 45 26.704 13.213 -3.186 352 HG3 LYS 45 HG1 LYS 45 25.356 13.911 -4.081 353 HD2 LYS 45 HD2 LYS 45 25.982 16.103 -3.525 354 HD3 LYS 45 HD1 LYS 45 27.043 15.559 -2.223 355 HE2 LYS 45 HE2 LYS 45 28.304 16.294 -4.197 356 HE3 LYS 45 HE1 LYS 45 28.574 14.593 -3.828 357 HZ1 LYS 45 HZ1 LYS 45 28.266 14.609 -6.101 358 HZ2 LYS 45 HZ2 LYS 45 27.053 15.787 -6.054 359 HZ3 LYS 45 HZ3 LYS 45 26.714 14.201 -5.547 360 H ALA 46 HN ALA 46 22.136 13.222 -2.770 361 HA ALA 46 HA ALA 46 22.141 14.036 -5.496 362 HB1 ALA 46 HB1 ALA 46 21.551 11.765 -4.807 363 HB2 ALA 46 HB2 ALA 46 20.268 12.506 -5.763 364 HB3 ALA 46 HB3 ALA 46 20.103 12.381 -4.011 365 H VAL 47 HN VAL 47 19.796 14.523 -2.845 366 HA VAL 47 HA VAL 47 17.930 15.916 -4.452 367 HB VAL 47 HB VAL 47 17.299 14.798 -2.350 368 HG11 VAL 47 HG11 VAL 47 19.191 15.385 -0.956 369 HG12 VAL 47 HG12 VAL 47 17.684 15.899 -0.197 370 HG13 VAL 47 HG13 VAL 47 18.718 17.083 -0.996 371 HG21 VAL 47 HG21 VAL 47 15.757 16.524 -1.536 372 HG22 VAL 47 HG22 VAL 47 15.813 16.454 -3.297 373 HG23 VAL 47 HG23 VAL 47 16.660 17.741 -2.439 374 H ALA 48 HN ALA 48 20.575 17.067 -2.382 375 HA ALA 48 HA ALA 48 19.914 19.816 -2.568 376 HB1 ALA 48 HB1 ALA 48 22.189 20.237 -1.797 377 HB2 ALA 48 HB2 ALA 48 22.619 18.555 -2.112 378 HB3 ALA 48 HB3 ALA 48 21.439 18.944 -0.860 379 H ASN 49 HN ASN 49 22.075 17.730 -4.432 380 HA ASN 49 HA ASN 49 23.083 19.682 -6.177 381 HB2 ASN 49 HB2 ASN 49 24.023 17.392 -5.920 382 HB3 ASN 49 HB1 ASN 49 22.612 16.746 -6.751 383 HD21 ASN 49 HD21 ASN 49 22.420 17.011 -8.963 384 HD22 ASN 49 HD22 ASN 49 23.732 17.553 -9.957 385 H GLU 50 HN GLU 50 20.342 17.451 -6.533 386 HA GLU 50 HA GLU 50 19.444 18.213 -9.046 387 HB2 GLU 50 HB2 GLU 50 18.516 16.297 -7.922 388 HB3 GLU 50 HB1 GLU 50 17.905 17.296 -6.612 389 HG2 GLU 50 HG2 GLU 50 16.052 16.752 -7.947 390 HG3 GLU 50 HG1 GLU 50 16.440 18.433 -8.309 391 H LEU 51 HN LEU 51 18.517 19.520 -5.879 392 HA LEU 51 HA LEU 51 16.578 21.309 -6.860 393 HB2 LEU 51 HB2 LEU 51 16.970 20.380 -4.498 394 HB3 LEU 51 HB1 LEU 51 18.124 21.687 -4.308 395 HG LEU 51 HG LEU 51 15.843 22.115 -3.340 396 HD11 LEU 51 HD11 LEU 51 15.670 24.409 -4.151 397 HD12 LEU 51 HD12 LEU 51 16.753 24.020 -5.487 398 HD13 LEU 51 HD13 LEU 51 17.345 23.963 -3.826 399 HD21 LEU 51 HD21 LEU 51 14.513 21.050 -5.071 400 HD22 LEU 51 HD22 LEU 51 15.046 22.257 -6.241 401 HD23 LEU 51 HD23 LEU 51 14.044 22.740 -4.872 402 H MET 52 HN MET 52 20.023 21.774 -6.074 403 HA MET 52 HA MET 52 20.037 24.562 -6.666 404 HB2 MET 52 HB2 MET 52 22.259 22.521 -6.544 405 HB3 MET 52 HB1 MET 52 22.540 24.225 -6.862 406 HG2 MET 52 HG2 MET 52 21.579 24.793 -4.687 407 HG3 MET 52 HG1 MET 52 21.296 23.077 -4.372 408 HE1 MET 52 HE1 MET 52 24.285 24.061 -1.989 409 HE2 MET 52 HE2 MET 52 22.644 23.419 -2.063 410 HE3 MET 52 HE3 MET 52 22.951 25.106 -2.479 411 H ARG 53 HN ARG 53 20.514 21.670 -8.548 412 HA ARG 53 HA ARG 53 21.649 22.928 -10.835 413 HB2 ARG 53 HB2 ARG 53 21.970 20.551 -10.226 414 HB3 ARG 53 HB1 ARG 53 20.279 20.250 -10.582 415 HG2 ARG 53 HG2 ARG 53 20.681 20.865 -12.928 416 HG3 ARG 53 HG1 ARG 53 22.392 21.104 -12.547 417 HD2 ARG 53 HD2 ARG 53 22.518 18.767 -11.783 418 HD3 ARG 53 HD1 ARG 53 20.833 18.543 -12.246 419 HE ARG 53 HE ARG 53 22.694 19.407 -14.321 420 HH11 ARG 53 HH11 ARG 53 20.793 16.852 -12.864 421 HH12 ARG 53 HH12 ARG 53 20.983 15.768 -14.217 422 HH21 ARG 53 HH21 ARG 53 22.936 17.999 -16.107 423 HH22 ARG 53 HH22 ARG 53 22.182 16.435 -16.071 424 H LEU 54 HN LEU 54 18.395 21.639 -10.149 425 HA LEU 54 HA LEU 54 17.483 22.765 -12.701 426 HB2 LEU 54 HB2 LEU 54 17.135 20.335 -12.088 427 HB3 LEU 54 HB1 LEU 54 16.002 20.885 -10.871 428 HG LEU 54 HG LEU 54 14.601 21.882 -12.648 429 HD11 LEU 54 HD11 LEU 54 16.344 22.314 -14.293 430 HD12 LEU 54 HD12 LEU 54 15.050 21.335 -14.984 431 HD13 LEU 54 HD13 LEU 54 16.574 20.580 -14.518 432 HD21 LEU 54 HD21 LEU 54 14.126 19.636 -11.851 433 HD22 LEU 54 HD22 LEU 54 15.256 18.963 -13.025 434 HD23 LEU 54 HD23 LEU 54 13.786 19.767 -13.577 435 H GLY 55 HN GLY 55 17.751 23.927 -9.730 436 HA2 GLY 55 HA2 GLY 55 15.456 25.698 -10.097 437 HA3 GLY 55 HA1 GLY 55 15.539 24.812 -8.580 438 H ASP 56 HN ASP 56 15.616 26.963 -7.592 439 HA ASP 56 HA ASP 56 18.333 28.096 -7.715 440 HB2 ASP 56 HB2 ASP 56 17.475 30.213 -7.013 441 HB3 ASP 56 HB1 ASP 56 16.445 29.660 -8.327 442 H PHE 57 HN PHE 57 19.381 28.604 -5.765 443 HA PHE 57 HA PHE 57 18.220 27.730 -3.256 444 HB2 PHE 57 HB2 PHE 57 19.182 25.688 -4.460 445 HB3 PHE 57 HB1 PHE 57 20.761 26.423 -4.245 446 HD1 PHE 57 HD1 PHE 57 21.395 27.018 -1.778 447 HD2 PHE 57 HD2 PHE 57 18.375 24.243 -2.892 448 HE1 PHE 57 HE1 PHE 57 21.588 25.933 0.424 449 HE2 PHE 57 HE2 PHE 57 18.562 23.150 -0.704 450 HZ PHE 57 HZ PHE 57 20.168 23.994 0.964 451 H ASP 58 HN ASP 58 21.613 27.751 -4.040 452 HA ASP 58 HA ASP 58 22.380 30.370 -3.792 453 HB2 ASP 58 HB2 ASP 58 21.368 30.046 -1.403 454 HB3 ASP 58 HB1 ASP 58 22.799 29.064 -1.097 455 H GLN 59 HN GLN 59 24.679 30.486 -3.960 456 HA GLN 59 HA GLN 59 25.834 27.875 -4.550 457 HB2 GLN 59 HB2 GLN 59 25.958 29.658 -6.258 458 HB3 GLN 59 HB1 GLN 59 26.930 30.621 -5.157 459 HG2 GLN 59 HG2 GLN 59 28.258 29.463 -6.880 460 HG3 GLN 59 HG1 GLN 59 28.714 29.021 -5.236 461 HE21 GLN 59 HE21 GLN 59 28.365 26.945 -4.520 462 HE22 GLN 59 HE22 GLN 59 27.914 25.654 -5.572 463 H ILE 60 HN ILE 60 26.400 27.016 -2.634 464 HA ILE 60 HA ILE 60 28.692 28.239 -1.281 465 HB ILE 60 HB ILE 60 27.732 27.440 0.923 466 HG12 ILE 60 HG12 ILE 60 25.170 27.404 -0.690 467 HG13 ILE 60 HG11 ILE 60 25.978 25.993 -0.016 468 HG21 ILE 60 HG21 ILE 60 26.332 29.696 -0.501 469 HG22 ILE 60 HG22 ILE 60 27.858 29.794 0.378 470 HG23 ILE 60 HG23 ILE 60 26.360 29.453 1.246 471 HD11 ILE 60 HD11 ILE 60 24.061 26.673 1.322 472 HD12 ILE 60 HD12 ILE 60 24.797 28.257 1.572 473 HD13 ILE 60 HD13 ILE 60 25.566 26.813 2.231 474 H ASP 61 HN ASP 61 29.619 26.554 0.345 475 HA ASP 61 HA ASP 61 30.002 24.101 -1.143 476 HB2 ASP 61 HB2 ASP 61 31.231 25.092 1.434 477 HB3 ASP 61 HB1 ASP 61 31.638 23.555 0.681 478 H ILE 62 HN ILE 62 28.091 22.980 -0.986 479 HA ILE 62 HA ILE 62 27.118 22.234 1.660 480 HB ILE 62 HB ILE 62 26.083 21.687 -1.119 481 HG12 ILE 62 HG12 ILE 62 25.655 23.920 -0.230 482 HG13 ILE 62 HG11 ILE 62 24.156 23.003 -0.338 483 HG21 ILE 62 HG21 ILE 62 24.966 20.646 1.484 484 HG22 ILE 62 HG22 ILE 62 25.680 19.682 0.190 485 HG23 ILE 62 HG23 ILE 62 24.167 20.547 -0.085 486 HD11 ILE 62 HD11 ILE 62 24.256 22.561 2.060 487 HD12 ILE 62 HD12 ILE 62 24.260 24.291 1.716 488 HD13 ILE 62 HD13 ILE 62 25.759 23.478 2.165 489 H GLY 63 HN GLY 63 28.499 20.757 -1.243 490 HA2 GLY 63 HA2 GLY 63 28.484 18.088 -0.435 491 HA3 GLY 63 HA1 GLY 63 29.647 18.794 -1.549 492 H VAL 64 HN VAL 64 30.757 20.653 0.319 493 HA VAL 64 HA VAL 64 32.763 19.065 1.482 494 HB VAL 64 HB VAL 64 32.022 21.940 2.055 495 HG11 VAL 64 HG11 VAL 64 34.549 20.440 2.737 496 HG12 VAL 64 HG12 VAL 64 33.336 21.008 3.884 497 HG13 VAL 64 HG13 VAL 64 34.284 22.170 2.957 498 HG21 VAL 64 HG21 VAL 64 32.623 21.546 -0.270 499 HG22 VAL 64 HG22 VAL 64 34.112 20.749 0.234 500 HG23 VAL 64 HG23 VAL 64 33.882 22.469 0.549 501 H VAL 65 HN VAL 65 29.989 20.753 2.942 502 HA VAL 65 HA VAL 65 30.751 20.031 5.597 503 HB VAL 65 HB VAL 65 28.104 21.115 4.620 504 HG11 VAL 65 HG11 VAL 65 27.903 20.144 6.831 505 HG12 VAL 65 HG12 VAL 65 27.838 21.904 6.941 506 HG13 VAL 65 HG13 VAL 65 29.315 21.045 7.382 507 HG21 VAL 65 HG21 VAL 65 29.926 22.595 4.011 508 HG22 VAL 65 HG22 VAL 65 30.542 22.551 5.663 509 HG23 VAL 65 HG23 VAL 65 28.983 23.301 5.326 510 H ILE 66 HN ILE 66 28.494 18.688 3.227 511 HA ILE 66 HA ILE 66 27.169 17.014 5.131 512 HB ILE 66 HB ILE 66 26.078 15.929 3.267 513 HG12 ILE 66 HG12 ILE 66 27.852 17.540 1.425 514 HG13 ILE 66 HG11 ILE 66 28.122 15.841 1.800 515 HG21 ILE 66 HG21 ILE 66 26.327 18.900 2.827 516 HG22 ILE 66 HG22 ILE 66 25.233 18.098 3.955 517 HG23 ILE 66 HG23 ILE 66 25.027 17.875 2.217 518 HD11 ILE 66 HD11 ILE 66 26.988 16.102 -0.324 519 HD12 ILE 66 HD12 ILE 66 25.683 16.987 0.465 520 HD13 ILE 66 HD13 ILE 66 25.950 15.285 0.845 521 H THR 67 HN THR 67 30.049 16.654 3.204 522 HA THR 67 HA THR 67 30.142 13.813 3.941 523 HB THR 67 HB THR 67 31.994 13.618 2.287 524 HG1 THR 67 HG1 THR 67 31.239 16.281 1.565 525 HG21 THR 67 HG21 THR 67 30.564 13.783 0.292 526 HG22 THR 67 HG22 THR 67 29.398 14.735 1.211 527 HG23 THR 67 HG23 THR 67 29.703 13.054 1.648 528 H HIS 68 HN HIS 68 31.233 16.777 4.926 529 HA HIS 68 HA HIS 68 33.094 15.529 6.764 530 HB2 HIS 68 HB2 HIS 68 34.584 16.239 4.967 531 HB3 HIS 68 HB1 HIS 68 33.898 17.859 5.003 532 HD1 HIS 68 HD1 HIS 68 35.577 19.386 5.989 533 HD2 HIS 68 HD2 HIS 68 35.496 15.707 7.933 534 HE1 HIS 68 HE1 HIS 68 37.209 19.584 7.887 535 HE2 HIS 68 HE2 HIS 68 37.016 17.417 9.147 536 H PHE 69 HN PHE 69 31.583 15.945 8.330 537 HA PHE 69 HA PHE 69 30.525 18.563 8.815 538 HB2 PHE 69 HB2 PHE 69 30.568 16.066 10.522 539 HB3 PHE 69 HB1 PHE 69 29.726 17.548 10.957 540 HD1 PHE 69 HD1 PHE 69 29.785 14.692 8.649 541 HD2 PHE 69 HD2 PHE 69 27.644 18.129 9.954 542 HE1 PHE 69 HE1 PHE 69 27.794 13.905 7.441 543 HE2 PHE 69 HE2 PHE 69 25.652 17.349 8.748 544 HZ PHE 69 HZ PHE 69 25.723 15.234 7.491 545 H THR 70 HN THR 70 30.762 19.341 11.221 546 HA THR 70 HA THR 70 33.508 19.027 12.167 547 HB THR 70 HB THR 70 33.252 21.158 10.784 548 HG1 THR 70 HG1 THR 70 33.952 22.055 13.318 549 HG21 THR 70 HG21 THR 70 32.217 23.082 11.903 550 HG22 THR 70 HG22 THR 70 31.642 22.022 13.190 551 HG23 THR 70 HG23 THR 70 31.032 21.825 11.548 552 H ASP 71 HN ASP 71 33.513 20.367 14.469 553 HA ASP 71 HA ASP 71 31.581 18.801 15.963 554 HB2 ASP 71 HB2 ASP 71 34.111 19.146 16.479 555 HB3 ASP 71 HB1 ASP 71 33.582 20.656 17.210 556 H GLU 72 HN GLU 72 32.338 22.182 15.393 557 HA GLU 72 HA GLU 72 30.628 23.207 17.427 558 HB2 GLU 72 HB2 GLU 72 31.436 24.834 15.046 559 HB3 GLU 72 HB1 GLU 72 31.281 25.326 16.724 560 HG2 GLU 72 HG2 GLU 72 33.551 25.343 16.461 561 HG3 GLU 72 HG1 GLU 72 33.301 23.716 17.087 562 H LEU 73 HN LEU 73 30.274 22.772 13.934 563 HA LEU 73 HA LEU 73 27.461 23.619 14.160 564 HB2 LEU 73 HB2 LEU 73 29.391 23.818 11.852 565 HB3 LEU 73 HB1 LEU 73 27.661 23.977 11.635 566 HG LEU 73 HG LEU 73 27.796 25.891 13.341 567 HD11 LEU 73 HD11 LEU 73 29.948 27.033 13.476 568 HD12 LEU 73 HD12 LEU 73 30.711 25.710 12.595 569 HD13 LEU 73 HD13 LEU 73 30.028 25.425 14.196 570 HD21 LEU 73 HD21 LEU 73 28.420 27.488 11.603 571 HD22 LEU 73 HD22 LEU 73 27.381 26.213 10.965 572 HD23 LEU 73 HD23 LEU 73 29.116 26.179 10.647 573 HA PRO 74 HA PRO 74 25.859 23.643 12.348 574 HB2 PRO 74 HB2 PRO 74 23.399 22.548 12.346 575 HB3 PRO 74 HB1 PRO 74 24.455 22.482 10.928 576 HG2 PRO 74 HG2 PRO 74 23.912 20.377 12.984 577 HG3 PRO 74 HG1 PRO 74 24.042 20.215 11.221 578 HD2 PRO 74 HD2 PRO 74 26.067 19.600 12.955 579 HD3 PRO 74 HD1 PRO 74 26.329 20.119 11.279 580 H SER 75 HN SER 75 24.110 24.681 13.659 581 HA SER 75 HA SER 75 24.634 24.085 16.475 582 HB2 SER 75 HB2 SER 75 23.440 26.554 15.190 583 HB3 SER 75 HB1 SER 75 23.885 26.382 16.888 584 HG SER 75 HG SER 75 26.044 26.139 16.254 585 HA PRO 76 HA PRO 76 20.591 22.461 17.297 586 HB2 PRO 76 HB2 PRO 76 20.225 23.606 19.802 587 HB3 PRO 76 HB1 PRO 76 21.064 22.085 19.486 588 HG2 PRO 76 HG2 PRO 76 22.184 24.815 19.934 589 HG3 PRO 76 HG1 PRO 76 22.799 23.245 20.482 590 HD2 PRO 76 HD2 PRO 76 23.907 24.534 18.411 591 HD3 PRO 76 HD1 PRO 76 23.758 22.765 18.424 592 H GLU 77 HN GLU 77 21.116 25.866 18.175 593 HA GLU 77 HA GLU 77 18.470 26.743 18.060 594 HB2 GLU 77 HB2 GLU 77 19.504 29.000 17.611 595 HB3 GLU 77 HB1 GLU 77 20.119 28.164 19.032 596 HG2 GLU 77 HG2 GLU 77 22.073 27.452 17.808 597 HG3 GLU 77 HG1 GLU 77 21.450 28.199 16.341 598 H ASP 78 HN ASP 78 20.921 26.476 15.571 599 HA ASP 78 HA ASP 78 19.485 27.645 13.440 600 HB2 ASP 78 HB2 ASP 78 21.835 27.485 13.234 601 HB3 ASP 78 HB1 ASP 78 21.846 25.783 13.658 602 H VAL 79 HN VAL 79 20.092 24.272 14.313 603 HA VAL 79 HA VAL 79 18.528 22.972 12.447 604 HB VAL 79 HB VAL 79 19.138 22.252 15.317 605 HG11 VAL 79 HG11 VAL 79 18.525 19.957 14.766 606 HG12 VAL 79 HG12 VAL 79 17.984 20.479 13.170 607 HG13 VAL 79 HG13 VAL 79 17.143 21.041 14.615 608 HG21 VAL 79 HG21 VAL 79 20.792 20.755 14.285 609 HG22 VAL 79 HG22 VAL 79 21.083 22.447 13.885 610 HG23 VAL 79 HG23 VAL 79 20.345 21.375 12.695 611 H GLU 80 HN GLU 80 17.546 24.220 15.638 612 HA GLU 80 HA GLU 80 14.878 23.273 15.430 613 HB2 GLU 80 HB2 GLU 80 15.979 23.772 17.582 614 HB3 GLU 80 HB1 GLU 80 15.968 25.483 17.177 615 HG2 GLU 80 HG2 GLU 80 13.660 25.647 17.392 616 HG3 GLU 80 HG1 GLU 80 13.429 23.905 17.254 617 H ARG 81 HN ARG 81 16.465 26.240 14.450 618 HA ARG 81 HA ARG 81 14.114 27.732 13.970 619 HB2 ARG 81 HB2 ARG 81 16.962 27.973 13.187 620 HB3 ARG 81 HB1 ARG 81 15.793 28.832 12.192 621 HG2 ARG 81 HG2 ARG 81 16.141 29.116 15.170 622 HG3 ARG 81 HG1 ARG 81 16.637 30.281 13.937 623 HD2 ARG 81 HD2 ARG 81 14.325 30.582 13.262 624 HD3 ARG 81 HD1 ARG 81 13.804 29.364 14.421 625 HE ARG 81 HE ARG 81 15.220 31.571 15.616 626 HH11 ARG 81 HH11 ARG 81 12.123 30.366 14.538 627 HH12 ARG 81 HH12 ARG 81 11.194 31.432 15.546 628 HH21 ARG 81 HH21 ARG 81 14.010 32.989 16.948 629 HH22 ARG 81 HH22 ARG 81 12.278 32.928 16.917 630 H VAL 82 HN VAL 82 16.164 25.823 11.739 631 HA VAL 82 HA VAL 82 14.431 26.168 9.532 632 HB VAL 82 HB VAL 82 16.871 25.170 9.643 633 HG11 VAL 82 HG11 VAL 82 15.192 22.665 9.646 634 HG12 VAL 82 HG12 VAL 82 16.310 23.170 10.913 635 HG13 VAL 82 HG13 VAL 82 16.922 22.748 9.313 636 HG21 VAL 82 HG21 VAL 82 15.698 25.779 7.614 637 HG22 VAL 82 HG22 VAL 82 14.800 24.262 7.654 638 HG23 VAL 82 HG23 VAL 82 16.546 24.248 7.402 639 H ARG 83 HN ARG 83 14.482 23.862 12.178 640 HA ARG 83 HA ARG 83 12.546 22.055 11.337 641 HB2 ARG 83 HB2 ARG 83 13.695 21.590 13.358 642 HB3 ARG 83 HB1 ARG 83 13.248 23.138 14.062 643 HG2 ARG 83 HG2 ARG 83 10.865 22.344 14.032 644 HG3 ARG 83 HG1 ARG 83 11.484 20.753 13.588 645 HD2 ARG 83 HD2 ARG 83 12.604 20.497 15.636 646 HD3 ARG 83 HD1 ARG 83 12.482 22.216 16.013 647 HE ARG 83 HE ARG 83 9.890 21.251 15.798 648 HH11 ARG 83 HH11 ARG 83 12.685 20.749 17.866 649 HH12 ARG 83 HH12 ARG 83 11.728 20.336 19.261 650 HH21 ARG 83 HH21 ARG 83 8.643 20.734 17.636 651 HH22 ARG 83 HH22 ARG 83 9.439 20.325 19.129 652 H ALA 84 HN ALA 84 12.060 25.028 13.236 653 HA ALA 84 HA ALA 84 9.268 24.916 13.331 654 HB1 ALA 84 HB1 ALA 84 10.613 26.348 14.788 655 HB2 ALA 84 HB2 ALA 84 9.361 27.269 13.955 656 HB3 ALA 84 HB3 ALA 84 11.034 27.359 13.406 657 H ARG 85 HN ARG 85 11.418 26.578 11.051 658 HA ARG 85 HA ARG 85 9.382 27.845 9.571 659 HB2 ARG 85 HB2 ARG 85 11.628 28.644 9.394 660 HB3 ARG 85 HB1 ARG 85 12.208 27.077 8.848 661 HG2 ARG 85 HG2 ARG 85 12.091 28.668 7.018 662 HG3 ARG 85 HG1 ARG 85 10.973 27.328 6.769 663 HD2 ARG 85 HD2 ARG 85 9.139 28.746 7.616 664 HD3 ARG 85 HD1 ARG 85 10.276 30.086 7.774 665 HE ARG 85 HE ARG 85 10.399 29.104 5.148 666 HH11 ARG 85 HH11 ARG 85 8.099 30.716 7.236 667 HH12 ARG 85 HH12 ARG 85 7.395 31.652 5.954 668 HH21 ARG 85 HH21 ARG 85 9.439 30.295 3.451 669 HH22 ARG 85 HH22 ARG 85 8.137 31.396 3.790 670 H LEU 86 HN LEU 86 11.144 24.811 8.923 671 HA LEU 86 HA LEU 86 9.804 24.323 6.470 672 HB2 LEU 86 HB2 LEU 86 11.642 22.801 8.234 673 HB3 LEU 86 HB1 LEU 86 10.690 21.881 7.085 674 HG LEU 86 HG LEU 86 13.018 22.540 6.331 675 HD11 LEU 86 HD11 LEU 86 12.300 23.073 4.057 676 HD12 LEU 86 HD12 LEU 86 10.682 23.442 4.654 677 HD13 LEU 86 HD13 LEU 86 11.311 21.799 4.767 678 HD21 LEU 86 HD21 LEU 86 11.734 25.258 6.118 679 HD22 LEU 86 HD22 LEU 86 13.301 24.803 5.452 680 HD23 LEU 86 HD23 LEU 86 13.055 24.812 7.197 681 H ALA 87 HN ALA 87 9.192 23.303 9.787 682 HA ALA 87 HA ALA 87 7.325 21.279 9.264 683 HB1 ALA 87 HB1 ALA 87 8.358 21.620 11.454 684 HB2 ALA 87 HB2 ALA 87 6.599 21.557 11.566 685 HB3 ALA 87 HB3 ALA 87 7.433 23.109 11.657 686 H ALA 88 HN ALA 88 7.010 24.721 9.107 687 HA ALA 88 HA ALA 88 4.194 24.894 9.406 688 HB1 ALA 88 HB1 ALA 88 6.063 26.757 7.946 689 HB2 ALA 88 HB2 ALA 88 5.677 26.828 9.665 690 HB3 ALA 88 HB3 ALA 88 4.419 27.128 8.464 691 H GLN 89 HN GLN 89 6.280 24.081 6.750 692 HA GLN 89 HA GLN 89 4.069 24.235 4.839 693 HB2 GLN 89 HB2 GLN 89 7.044 23.931 4.571 694 HB3 GLN 89 HB1 GLN 89 5.990 23.475 3.243 695 HG2 GLN 89 HG2 GLN 89 6.873 25.734 2.980 696 HG3 GLN 89 HG1 GLN 89 5.119 25.727 3.112 697 HE21 GLN 89 HE21 GLN 89 8.106 26.560 4.695 698 HE22 GLN 89 HE22 GLN 89 7.416 27.587 5.898 699 H GLY 90 HN GLY 90 5.638 22.032 6.857 700 HA2 GLY 90 HA2 GLY 90 4.073 19.903 6.745 701 HA3 GLY 90 HA1 GLY 90 4.976 19.690 5.250 702 H TRP 91 HN TRP 91 5.141 17.757 7.232 703 HA TRP 91 HA TRP 91 7.977 17.884 7.767 704 HB2 TRP 91 HB2 TRP 91 6.784 18.997 9.742 705 HB3 TRP 91 HB1 TRP 91 6.165 17.394 10.127 706 HD1 TRP 91 HD1 TRP 91 7.781 15.747 11.368 707 HE1 TRP 91 HE1 TRP 91 10.174 15.946 12.280 708 HE3 TRP 91 HE3 TRP 91 9.111 20.170 9.178 709 HZ2 TRP 91 HZ2 TRP 91 12.349 17.750 12.091 710 HZ3 TRP 91 HZ3 TRP 91 11.365 21.061 9.593 711 HH2 TRP 91 HH2 TRP 91 12.947 19.873 11.022 712 HA PRO 92 HA PRO 92 6.681 13.607 6.908 713 HB2 PRO 92 HB2 PRO 92 8.613 13.049 5.131 714 HB3 PRO 92 HB1 PRO 92 7.174 13.967 4.678 715 HG2 PRO 92 HG2 PRO 92 9.938 14.934 5.238 716 HG3 PRO 92 HG1 PRO 92 8.771 15.502 4.035 717 HD2 PRO 92 HD2 PRO 92 9.271 16.712 6.486 718 HD3 PRO 92 HD1 PRO 92 7.821 16.961 5.498 719 H LEU 93 HN LEU 93 9.157 15.065 8.539 720 HA LEU 93 HA LEU 93 10.805 12.707 8.905 721 HB2 LEU 93 HB2 LEU 93 10.946 15.382 10.302 722 HB3 LEU 93 HB1 LEU 93 12.140 14.103 10.406 723 HG LEU 93 HG LEU 93 11.466 15.746 7.968 724 HD11 LEU 93 HD11 LEU 93 12.834 16.903 9.617 725 HD12 LEU 93 HD12 LEU 93 13.773 16.517 8.175 726 HD13 LEU 93 HD13 LEU 93 13.967 15.551 9.638 727 HD21 LEU 93 HD21 LEU 93 13.247 14.509 6.847 728 HD22 LEU 93 HD22 LEU 93 11.927 13.443 7.327 729 HD23 LEU 93 HD23 LEU 93 13.422 13.472 8.262 730 H ASP 94 HN ASP 94 8.650 11.710 9.589 731 HA ASP 94 HA ASP 94 8.516 11.810 12.528 732 HB2 ASP 94 HB2 ASP 94 6.476 12.802 11.578 733 HB3 ASP 94 HB1 ASP 94 6.216 11.354 10.609 734 H ASP 95 HN ASP 95 9.175 9.947 13.374 735 HA ASP 95 HA ASP 95 9.593 7.734 11.536 736 HB2 ASP 95 HB2 ASP 95 11.423 8.650 13.024 737 HB3 ASP 95 HB1 ASP 95 10.565 7.919 14.374 738 H VAL 96 HN VAL 96 8.956 5.698 11.854 739 HA VAL 96 HA VAL 96 7.058 5.117 14.020 740 HB VAL 96 HB VAL 96 6.622 4.356 11.117 741 HG11 VAL 96 HG11 VAL 96 4.900 3.877 13.545 742 HG12 VAL 96 HG12 VAL 96 5.811 2.656 12.658 743 HG13 VAL 96 HG13 VAL 96 4.465 3.488 11.880 744 HG21 VAL 96 HG21 VAL 96 5.119 6.330 12.833 745 HG22 VAL 96 HG22 VAL 96 4.674 5.839 11.199 746 HG23 VAL 96 HG23 VAL 96 6.174 6.724 11.475 747 H ARG 97 HN ARG 97 7.478 3.199 14.981 748 HA ARG 97 HA ARG 97 9.688 1.641 13.867 749 HB2 ARG 97 HB2 ARG 97 10.050 0.788 16.031 750 HB3 ARG 97 HB1 ARG 97 9.646 2.480 16.275 751 HG2 ARG 97 HG2 ARG 97 7.375 1.866 16.895 752 HG3 ARG 97 HG1 ARG 97 7.751 0.164 16.611 753 HD2 ARG 97 HD2 ARG 97 9.662 0.556 18.307 754 HD3 ARG 97 HD1 ARG 97 8.742 1.987 18.768 755 HE ARG 97 HE ARG 97 6.857 0.148 18.964 756 HH11 ARG 97 HH11 ARG 97 10.183 0.099 20.024 757 HH12 ARG 97 HH12 ARG 97 9.907 -1.065 21.290 758 HH21 ARG 97 HH21 ARG 97 6.470 -1.384 20.643 759 HH22 ARG 97 HH22 ARG 97 7.790 -1.888 21.655 760 H ASP 98 HN ASP 98 9.571 -0.764 14.197 761 HA ASP 98 HA ASP 98 7.078 -1.730 13.053 762 HB2 ASP 98 HB2 ASP 98 9.650 -3.209 13.654 763 HB3 ASP 98 HB1 ASP 98 8.285 -3.852 12.749 764 H ARG 99 HN ARG 99 5.849 -3.429 13.931 765 HA ARG 99 HA ARG 99 6.461 -4.206 16.691 766 HB2 ARG 99 HB2 ARG 99 3.790 -3.342 15.590 767 HB3 ARG 99 HB1 ARG 99 3.932 -4.329 17.036 768 HG2 ARG 99 HG2 ARG 99 5.334 -2.519 18.035 769 HG3 ARG 99 HG1 ARG 99 4.941 -1.526 16.628 770 HD2 ARG 99 HD2 ARG 99 3.460 -1.064 18.540 771 HD3 ARG 99 HD1 ARG 99 2.578 -1.677 17.141 772 HE ARG 99 HE ARG 99 3.354 -3.744 18.984 773 HH11 ARG 99 HH11 ARG 99 0.914 -1.313 18.293 774 HH12 ARG 99 HH12 ARG 99 -0.338 -2.152 19.160 775 HH21 ARG 99 HH21 ARG 99 1.714 -4.834 20.125 776 HH22 ARG 99 HH22 ARG 99 0.115 -4.150 20.193 777 H GLU 100 HN GLU 100 7.444 -5.922 15.273 778 HA GLU 100 HA GLU 100 5.521 -7.707 14.074 779 HB2 GLU 100 HB2 GLU 100 7.787 -7.249 13.058 780 HB3 GLU 100 HB1 GLU 100 8.489 -8.166 14.384 781 HG2 GLU 100 HG2 GLU 100 7.493 -10.167 13.672 782 HG3 GLU 100 HG1 GLU 100 6.393 -9.325 12.581 783 H GLU 101 HN GLU 101 4.361 -8.140 15.951 784 HA GLU 101 HA GLU 101 5.624 -10.050 17.796 785 HB2 GLU 101 HB2 GLU 101 4.129 -9.040 19.572 786 HB3 GLU 101 HB1 GLU 101 5.438 -8.000 19.022 787 HG2 GLU 101 HG2 GLU 101 3.806 -6.897 17.486 788 HG3 GLU 101 HG1 GLU 101 2.532 -7.837 18.258 789 H HIS 102 HN HIS 102 3.993 -11.482 18.863 790 HA HIS 102 HA HIS 102 1.393 -11.636 17.634 791 HB2 HIS 102 HB2 HIS 102 1.624 -13.809 16.597 792 HB3 HIS 102 HB1 HIS 102 2.820 -12.717 15.913 793 HD1 HIS 102 HD1 HIS 102 2.459 -15.886 17.778 794 HD2 HIS 102 HD2 HIS 102 5.516 -13.302 16.655 795 HE1 HIS 102 HE1 HIS 102 4.591 -17.169 18.127 796 HE2 HIS 102 HE2 HIS 102 6.399 -15.674 17.213 797 H ALA 103 HN ALA 103 -0.034 -12.585 18.940 798 HA ALA 103 HA ALA 103 1.019 -14.091 21.236 799 HB1 ALA 103 HB1 ALA 103 -1.003 -13.433 22.440 800 HB2 ALA 103 HB2 ALA 103 -1.566 -12.545 21.024 801 HB3 ALA 103 HB3 ALA 103 -0.115 -12.017 21.877 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 7.109 4.599 0.597 2 H2 GLY 1 HT2 GLY 1 5.853 3.637 1.201 3 H3 GLY 1 HT3 GLY 1 6.296 5.056 2.015 4 HA2 GLY 1 HA1 GLY 1 4.296 5.501 0.832 5 HA3 GLY 1 HA2 GLY 1 5.616 6.352 0.041 6 H SER 2 HN SER 2 3.866 6.266 -1.683 7 HA SER 2 HA SER 2 3.107 3.905 -2.955 8 HB2 SER 2 HB2 SER 2 3.481 6.634 -4.210 9 HB3 SER 2 HB1 SER 2 2.485 5.322 -4.842 10 HG SER 2 HG SER 2 1.156 5.499 -3.030 11 H HIS 3 HN HIS 3 5.723 6.145 -3.917 12 HA HIS 3 HA HIS 3 7.267 3.925 -4.960 13 HB2 HIS 3 HB2 HIS 3 5.628 4.763 -6.775 14 HB3 HIS 3 HB1 HIS 3 6.632 6.206 -6.830 15 HD1 HIS 3 HD1 HIS 3 6.526 2.637 -7.857 16 HD2 HIS 3 HD2 HIS 3 9.200 5.823 -7.962 17 HE1 HIS 3 HE1 HIS 3 8.334 1.959 -9.470 18 HE2 HIS 3 HE2 HIS 3 9.780 4.008 -9.713 19 H MET 4 HN MET 4 9.465 4.392 -5.039 20 HA MET 4 HA MET 4 10.373 6.299 -3.217 21 HB2 MET 4 HB2 MET 4 12.645 5.746 -3.996 22 HB3 MET 4 HB1 MET 4 11.670 4.315 -3.709 23 HG2 MET 4 HG2 MET 4 11.317 4.032 -6.078 24 HG3 MET 4 HG1 MET 4 12.175 5.533 -6.414 25 HE1 MET 4 HE1 MET 4 13.136 2.799 -3.735 26 HE2 MET 4 HE2 MET 4 14.195 1.755 -4.684 27 HE3 MET 4 HE3 MET 4 12.477 1.857 -5.072 28 H ASN 5 HN ASN 5 10.323 6.466 -6.760 29 HA ASN 5 HA ASN 5 11.757 8.852 -7.050 30 HB2 ASN 5 HB2 ASN 5 9.529 7.746 -8.772 31 HB3 ASN 5 HB1 ASN 5 10.565 9.089 -9.231 32 HD21 ASN 5 HD21 ASN 5 11.386 8.083 -11.008 33 HD22 ASN 5 HD22 ASN 5 12.464 6.729 -10.922 34 H ARG 6 HN ARG 6 8.310 8.261 -6.581 35 HA ARG 6 HA ARG 6 7.514 10.968 -6.815 36 HB2 ARG 6 HB2 ARG 6 6.081 8.826 -6.973 37 HB3 ARG 6 HB1 ARG 6 6.027 8.895 -5.217 38 HG2 ARG 6 HG2 ARG 6 4.055 9.918 -6.118 39 HG3 ARG 6 HG1 ARG 6 5.063 11.163 -5.373 40 HD2 ARG 6 HD2 ARG 6 5.969 11.708 -7.610 41 HD3 ARG 6 HD1 ARG 6 4.856 10.537 -8.318 42 HE ARG 6 HE ARG 6 3.566 12.536 -6.693 43 HH11 ARG 6 HH11 ARG 6 4.757 11.756 -9.909 44 HH12 ARG 6 HH12 ARG 6 3.718 12.901 -10.704 45 HH21 ARG 6 HH21 ARG 6 2.227 14.054 -7.739 46 HH22 ARG 6 HH22 ARG 6 2.283 14.219 -9.471 47 H PHE 7 HN PHE 7 8.433 8.916 -4.105 48 HA PHE 7 HA PHE 7 7.807 10.691 -2.019 49 HB2 PHE 7 HB2 PHE 7 8.340 8.291 -1.698 50 HB3 PHE 7 HB1 PHE 7 10.016 8.622 -2.118 51 HD1 PHE 7 HD2 PHE 7 7.369 9.353 0.360 52 HD2 PHE 7 HD1 PHE 7 11.537 9.387 -0.499 53 HE1 PHE 7 HE2 PHE 7 7.848 9.847 2.723 54 HE2 PHE 7 HE1 PHE 7 12.024 9.881 1.861 55 HZ PHE 7 HZ PHE 7 10.178 10.113 3.475 56 H LEU 8 HN LEU 8 10.841 10.165 -3.802 57 HA LEU 8 HA LEU 8 12.361 12.139 -2.529 58 HB2 LEU 8 HB2 LEU 8 12.515 11.107 -5.360 59 HB3 LEU 8 HB1 LEU 8 13.726 12.139 -4.624 60 HG LEU 8 HG LEU 8 12.990 9.362 -3.691 61 HD11 LEU 8 HD11 LEU 8 15.215 8.749 -4.505 62 HD12 LEU 8 HD12 LEU 8 15.433 10.382 -5.134 63 HD13 LEU 8 HD13 LEU 8 14.184 9.336 -5.810 64 HD21 LEU 8 HD21 LEU 8 13.691 10.794 -1.847 65 HD22 LEU 8 HD22 LEU 8 15.139 11.254 -2.742 66 HD23 LEU 8 HD23 LEU 8 14.924 9.586 -2.207 67 H THR 9 HN THR 9 10.236 12.330 -5.350 68 HA THR 9 HA THR 9 10.672 15.024 -5.990 69 HB THR 9 HB THR 9 8.082 13.486 -6.305 70 HG1 THR 9 HG1 THR 9 9.862 12.388 -7.273 71 HG21 THR 9 HG21 THR 9 7.703 14.997 -8.205 72 HG22 THR 9 HG22 THR 9 9.194 15.855 -7.817 73 HG23 THR 9 HG23 THR 9 7.839 15.887 -6.689 74 H SER 10 HN SER 10 8.487 13.489 -3.686 75 HA SER 10 HA SER 10 7.082 15.807 -2.908 76 HB2 SER 10 HB2 SER 10 7.649 13.328 -1.257 77 HB3 SER 10 HB1 SER 10 6.359 14.500 -0.982 78 HG SER 10 HG SER 10 6.642 12.912 -3.327 79 H ILE 11 HN ILE 11 10.071 14.304 -1.769 80 HA ILE 11 HA ILE 11 10.541 16.002 0.428 81 HB ILE 11 HB ILE 11 12.562 14.613 -1.344 82 HG12 ILE 11 HG12 ILE 11 10.998 13.043 -0.316 83 HG13 ILE 11 HG11 ILE 11 12.585 12.896 0.432 84 HG21 ILE 11 HG21 ILE 11 13.603 16.401 -0.072 85 HG22 ILE 11 HG22 ILE 11 14.094 14.832 0.564 86 HG23 ILE 11 HG23 ILE 11 12.882 15.789 1.416 87 HD11 ILE 11 HD11 ILE 11 10.235 14.381 1.586 88 HD12 ILE 11 HD12 ILE 11 11.817 14.186 2.343 89 HD13 ILE 11 HD13 ILE 11 10.788 12.778 2.073 90 H VAL 12 HN VAL 12 11.646 16.211 -2.950 91 HA VAL 12 HA VAL 12 13.053 18.590 -2.876 92 HB VAL 12 HB VAL 12 11.217 17.632 -5.086 93 HG11 VAL 12 HG11 VAL 12 11.780 19.987 -5.354 94 HG12 VAL 12 HG12 VAL 12 12.589 19.006 -6.577 95 HG13 VAL 12 HG13 VAL 12 13.494 19.606 -5.187 96 HG21 VAL 12 HG21 VAL 12 14.174 17.203 -4.687 97 HG22 VAL 12 HG22 VAL 12 13.233 16.676 -6.081 98 HG23 VAL 12 HG23 VAL 12 12.916 15.983 -4.489 99 H ALA 13 HN ALA 13 9.589 18.143 -3.522 100 HA ALA 13 HA ALA 13 8.845 20.814 -3.734 101 HB1 ALA 13 HB1 ALA 13 6.578 20.056 -3.223 102 HB2 ALA 13 HB2 ALA 13 7.219 18.517 -2.647 103 HB3 ALA 13 HB3 ALA 13 7.381 18.958 -4.346 104 H TRP 14 HN TRP 14 8.876 18.723 -0.865 105 HA TRP 14 HA TRP 14 7.931 20.577 0.993 106 HB2 TRP 14 HB2 TRP 14 8.066 18.234 1.557 107 HB3 TRP 14 HB1 TRP 14 9.810 18.229 1.323 108 HD1 TRP 14 HD1 TRP 14 7.622 20.578 3.499 109 HE1 TRP 14 HE1 TRP 14 8.539 20.528 5.903 110 HE3 TRP 14 HE3 TRP 14 11.340 17.149 2.847 111 HZ2 TRP 14 HZ2 TRP 14 10.585 19.206 7.329 112 HZ3 TRP 14 HZ3 TRP 14 12.742 16.546 4.780 113 HH2 TRP 14 HH2 TRP 14 12.371 17.555 6.974 114 H LEU 15 HN LEU 15 11.271 19.819 0.051 115 HA LEU 15 HA LEU 15 12.514 21.472 1.938 116 HB2 LEU 15 HB2 LEU 15 13.531 20.609 -0.769 117 HB3 LEU 15 HB1 LEU 15 14.514 21.313 0.500 118 HG LEU 15 HG LEU 15 13.158 18.624 0.502 119 HD11 LEU 15 HD11 LEU 15 16.045 19.450 0.760 120 HD12 LEU 15 HD12 LEU 15 15.289 18.756 -0.674 121 HD13 LEU 15 HD13 LEU 15 15.430 17.798 0.801 122 HD21 LEU 15 HD21 LEU 15 14.044 18.337 2.775 123 HD22 LEU 15 HD22 LEU 15 12.839 19.625 2.694 124 HD23 LEU 15 HD23 LEU 15 14.558 20.024 2.781 125 H ARG 16 HN ARG 16 11.660 22.135 -1.469 126 HA ARG 16 HA ARG 16 12.704 24.789 -1.338 127 HB2 ARG 16 HB2 ARG 16 11.588 25.169 -3.487 128 HB3 ARG 16 HB1 ARG 16 12.504 23.672 -3.489 129 HG2 ARG 16 HG2 ARG 16 10.415 22.422 -3.139 130 HG3 ARG 16 HG1 ARG 16 9.520 23.942 -3.211 131 HD2 ARG 16 HD2 ARG 16 10.326 24.323 -5.476 132 HD3 ARG 16 HD1 ARG 16 11.262 22.832 -5.407 133 HE ARG 16 HE ARG 16 8.429 22.508 -4.940 134 HH11 ARG 16 HH11 ARG 16 10.964 22.627 -7.355 135 HH12 ARG 16 HH12 ARG 16 10.092 21.643 -8.501 136 HH21 ARG 16 HH21 ARG 16 7.280 21.220 -6.438 137 HH22 ARG 16 HH22 ARG 16 7.998 20.852 -7.981 138 H ALA 17 HN ALA 17 9.529 23.383 -0.761 139 HA ALA 17 HA ALA 17 8.091 25.811 -0.583 140 HB1 ALA 17 HB1 ALA 17 7.522 23.188 0.793 141 HB2 ALA 17 HB2 ALA 17 6.985 23.639 -0.825 142 HB3 ALA 17 HB3 ALA 17 6.386 24.519 0.581 143 H GLY 18 HN GLY 18 10.124 24.065 1.650 144 HA2 GLY 18 HA2 GLY 18 9.396 25.491 3.996 145 HA3 GLY 18 HA1 GLY 18 10.879 24.581 3.756 146 H TYR 19 HN TYR 19 11.516 26.252 1.328 147 HA TYR 19 HA TYR 19 12.115 28.800 2.645 148 HB2 TYR 19 HB2 TYR 19 14.141 26.882 1.531 149 HB3 TYR 19 HB1 TYR 19 14.461 28.611 1.542 150 HD1 TYR 19 HD2 TYR 19 14.561 29.829 3.719 151 HD2 TYR 19 HD1 TYR 19 14.329 25.584 3.521 152 HE1 TYR 19 HE2 TYR 19 15.332 29.686 6.048 153 HE2 TYR 19 HE1 TYR 19 15.105 25.430 5.850 154 HH TYR 19 HH TYR 19 16.461 26.895 7.449 155 HA PRO 20 HA PRO 20 10.719 29.432 -1.712 156 HB2 PRO 20 HB2 PRO 20 8.900 31.354 -1.162 157 HB3 PRO 20 HB1 PRO 20 8.518 29.631 -1.047 158 HG2 PRO 20 HG2 PRO 20 9.193 31.573 1.124 159 HG3 PRO 20 HG1 PRO 20 7.968 30.292 1.106 160 HD2 PRO 20 HD2 PRO 20 10.403 30.043 2.326 161 HD3 PRO 20 HD1 PRO 20 9.483 28.670 1.682 162 H GLU 21 HN GLU 21 12.299 31.097 0.687 163 HA GLU 21 HA GLU 21 12.788 33.480 -0.953 164 HB2 GLU 21 HB2 GLU 21 13.765 34.419 1.120 165 HB3 GLU 21 HB1 GLU 21 12.092 33.923 1.338 166 HG2 GLU 21 HG2 GLU 21 12.941 31.788 2.322 167 HG3 GLU 21 HG1 GLU 21 14.561 32.479 2.266 168 H GLY 22 HN GLY 22 13.976 30.494 -0.670 169 HA2 GLY 22 HA2 GLY 22 16.020 29.824 -1.716 170 HA3 GLY 22 HA1 GLY 22 16.732 31.358 -1.229 171 H ILE 23 HN ILE 23 17.941 28.844 -0.759 172 HA ILE 23 HA ILE 23 17.506 28.363 2.096 173 HB ILE 23 HB ILE 23 19.123 26.766 0.101 174 HG12 ILE 23 HG12 ILE 23 17.314 25.013 0.748 175 HG13 ILE 23 HG11 ILE 23 16.384 26.402 1.297 176 HG21 ILE 23 HG21 ILE 23 19.307 25.095 1.909 177 HG22 ILE 23 HG22 ILE 23 18.559 26.248 3.016 178 HG23 ILE 23 HG23 ILE 23 20.123 26.613 2.287 179 HD11 ILE 23 HD11 ILE 23 16.434 27.343 -0.937 180 HD12 ILE 23 HD12 ILE 23 15.772 25.709 -0.964 181 HD13 ILE 23 HD13 ILE 23 17.430 26.000 -1.498 182 HA PRO 24 HA PRO 24 21.040 31.086 2.732 183 HB2 PRO 24 HB2 PRO 24 20.572 30.281 5.533 184 HB3 PRO 24 HB1 PRO 24 20.631 31.896 4.819 185 HG2 PRO 24 HG2 PRO 24 18.319 30.784 5.609 186 HG3 PRO 24 HG1 PRO 24 18.413 31.842 4.190 187 HD2 PRO 24 HD2 PRO 24 18.210 28.867 4.336 188 HD3 PRO 24 HD1 PRO 24 17.472 29.993 3.182 189 HA PRO 25 HA PRO 25 24.380 28.221 2.964 190 HB2 PRO 25 HB2 PRO 25 25.909 30.355 4.327 191 HB3 PRO 25 HB1 PRO 25 26.243 29.528 2.802 192 HG2 PRO 25 HG2 PRO 25 25.383 32.060 2.852 193 HG3 PRO 25 HG1 PRO 25 24.868 30.930 1.586 194 HD2 PRO 25 HD2 PRO 25 23.381 31.875 4.005 195 HD3 PRO 25 HD1 PRO 25 22.787 31.582 2.356 196 H THR 26 HN THR 26 23.887 30.204 5.877 197 HA THR 26 HA THR 26 25.252 28.466 7.636 198 HB THR 26 HB THR 26 23.075 30.462 8.295 199 HG1 THR 26 HG1 THR 26 25.804 31.038 8.617 200 HG21 THR 26 HG21 THR 26 25.285 29.304 10.004 201 HG22 THR 26 HG22 THR 26 23.570 28.916 10.136 202 HG23 THR 26 HG23 THR 26 24.137 30.545 10.503 203 H ASP 27 HN ASP 27 21.832 28.813 6.775 204 HA ASP 27 HA ASP 27 20.918 26.872 8.645 205 HB2 ASP 27 HB2 ASP 27 19.569 28.029 6.198 206 HB3 ASP 27 HB1 ASP 27 18.770 27.027 7.407 207 H SER 28 HN SER 28 22.446 26.628 5.628 208 HA SER 28 HA SER 28 21.405 24.225 4.640 209 HB2 SER 28 HB2 SER 28 22.971 25.680 3.383 210 HB3 SER 28 HB1 SER 28 24.264 25.222 4.489 211 HG SER 28 HG SER 28 23.114 23.801 2.413 212 H PHE 29 HN PHE 29 23.882 24.880 7.074 213 HA PHE 29 HA PHE 29 24.618 22.179 7.525 214 HB2 PHE 29 HB2 PHE 29 24.828 24.631 9.279 215 HB3 PHE 29 HB1 PHE 29 25.502 23.066 9.713 216 HD1 PHE 29 HD1 PHE 29 25.672 25.760 7.172 217 HD2 PHE 29 HD2 PHE 29 27.604 22.413 8.948 218 HE1 PHE 29 HE1 PHE 29 27.743 26.329 5.977 219 HE2 PHE 29 HE2 PHE 29 29.678 22.972 7.752 220 HZ PHE 29 HZ PHE 29 29.751 24.932 6.263 221 H ALA 30 HN ALA 30 22.141 24.280 8.853 222 HA ALA 30 HA ALA 30 21.227 22.573 10.902 223 HB1 ALA 30 HB1 ALA 30 19.196 23.921 10.859 224 HB2 ALA 30 HB2 ALA 30 19.686 24.626 9.319 225 HB3 ALA 30 HB3 ALA 30 20.630 24.944 10.774 226 H VAL 31 HN VAL 31 20.196 23.029 7.536 227 HA VAL 31 HA VAL 31 18.237 21.046 7.396 228 HB VAL 31 HB VAL 31 20.172 21.957 5.249 229 HG11 VAL 31 HG11 VAL 31 19.216 19.781 4.680 230 HG12 VAL 31 HG12 VAL 31 18.576 21.050 3.637 231 HG13 VAL 31 HG13 VAL 31 17.594 20.417 4.956 232 HG21 VAL 31 HG21 VAL 31 17.340 22.794 5.870 233 HG22 VAL 31 HG22 VAL 31 18.285 23.332 4.480 234 HG23 VAL 31 HG23 VAL 31 18.796 23.763 6.112 235 H LEU 32 HN LEU 32 21.733 20.853 6.863 236 HA LEU 32 HA LEU 32 22.000 18.174 6.219 237 HB2 LEU 32 HB2 LEU 32 23.945 19.396 6.033 238 HB3 LEU 32 HB1 LEU 32 23.706 20.214 7.563 239 HG LEU 32 HG LEU 32 24.284 18.028 8.696 240 HD11 LEU 32 HD11 LEU 32 25.193 17.314 5.917 241 HD12 LEU 32 HD12 LEU 32 23.901 16.533 6.827 242 HD13 LEU 32 HD13 LEU 32 25.571 16.416 7.387 243 HD21 LEU 32 HD21 LEU 32 26.684 18.359 8.408 244 HD22 LEU 32 HD22 LEU 32 25.836 19.899 8.554 245 HD23 LEU 32 HD23 LEU 32 26.382 19.337 6.973 246 H ALA 33 HN ALA 33 21.980 19.662 9.452 247 HA ALA 33 HA ALA 33 22.430 17.273 10.880 248 HB1 ALA 33 HB1 ALA 33 21.082 19.802 11.818 249 HB2 ALA 33 HB2 ALA 33 22.817 19.486 11.841 250 HB3 ALA 33 HB3 ALA 33 21.732 18.529 12.851 251 H LEU 34 HN LEU 34 19.483 18.944 9.929 252 HA LEU 34 HA LEU 34 17.704 17.241 11.348 253 HB2 LEU 34 HB2 LEU 34 17.144 19.530 10.607 254 HB3 LEU 34 HB1 LEU 34 17.199 18.986 8.940 255 HG LEU 34 HG LEU 34 15.314 17.430 9.456 256 HD11 LEU 34 HD11 LEU 34 15.629 17.245 11.855 257 HD12 LEU 34 HD12 LEU 34 14.012 17.854 11.494 258 HD13 LEU 34 HD13 LEU 34 15.267 18.960 12.054 259 HD21 LEU 34 HD21 LEU 34 13.608 19.184 9.452 260 HD22 LEU 34 HD22 LEU 34 14.942 19.580 8.367 261 HD23 LEU 34 HD23 LEU 34 14.822 20.367 9.940 262 H LEU 35 HN LEU 35 18.672 17.424 7.929 263 HA LEU 35 HA LEU 35 16.915 15.353 7.133 264 HB2 LEU 35 HB2 LEU 35 19.025 16.960 5.828 265 HB3 LEU 35 HB1 LEU 35 18.623 15.429 5.074 266 HG LEU 35 HG LEU 35 17.370 17.278 4.071 267 HD11 LEU 35 HD11 LEU 35 15.134 16.316 4.246 268 HD12 LEU 35 HD12 LEU 35 15.637 15.405 5.670 269 HD13 LEU 35 HD13 LEU 35 16.368 15.063 4.102 270 HD21 LEU 35 HD21 LEU 35 15.654 18.464 5.333 271 HD22 LEU 35 HD22 LEU 35 17.253 18.754 6.017 272 HD23 LEU 35 HD23 LEU 35 16.147 17.630 6.805 273 H CYS 36 HN CYS 36 20.271 15.342 8.209 274 HA CYS 36 HA CYS 36 20.999 12.766 7.401 275 HB2 CYS 36 HB2 CYS 36 21.717 14.377 9.839 276 HB3 CYS 36 HB1 CYS 36 22.380 12.770 9.571 277 HG CYS 36 HG CYS 36 22.901 15.604 7.758 278 H ARG 37 HN ARG 37 18.738 13.776 9.799 279 HA ARG 37 HA ARG 37 18.754 11.248 11.208 280 HB2 ARG 37 HB2 ARG 37 16.883 13.597 11.538 281 HB3 ARG 37 HB1 ARG 37 17.113 12.265 12.666 282 HG2 ARG 37 HG2 ARG 37 19.461 12.985 12.971 283 HG3 ARG 37 HG1 ARG 37 19.138 14.368 11.926 284 HD2 ARG 37 HD2 ARG 37 17.392 15.123 13.483 285 HD3 ARG 37 HD1 ARG 37 17.763 13.761 14.541 286 HE ARG 37 HE ARG 37 20.087 15.313 13.996 287 HH11 ARG 37 HH11 ARG 37 17.161 15.276 15.922 288 HH12 ARG 37 HH12 ARG 37 17.851 16.224 17.207 289 HH21 ARG 37 HH21 ARG 37 20.978 16.589 15.648 290 HH22 ARG 37 HH22 ARG 37 20.011 17.017 17.032 291 H ARG 38 HN ARG 38 17.518 12.202 8.336 292 HA ARG 38 HA ARG 38 15.264 10.322 8.578 293 HB2 ARG 38 HB2 ARG 38 14.578 12.739 8.306 294 HB3 ARG 38 HB1 ARG 38 15.329 12.701 6.717 295 HG2 ARG 38 HG2 ARG 38 12.851 12.377 6.727 296 HG3 ARG 38 HG1 ARG 38 13.761 11.094 5.924 297 HD2 ARG 38 HD2 ARG 38 13.490 9.625 7.743 298 HD3 ARG 38 HD1 ARG 38 12.935 10.916 8.807 299 HE ARG 38 HE ARG 38 10.979 10.953 7.053 300 HH11 ARG 38 HH11 ARG 38 12.634 8.148 8.341 301 HH12 ARG 38 HH12 ARG 38 11.221 7.136 8.293 302 HH21 ARG 38 HH21 ARG 38 9.105 9.613 7.019 303 HH22 ARG 38 HH22 ARG 38 9.227 7.964 7.559 304 H LEU 39 HN LEU 39 17.774 11.677 6.487 305 HA LEU 39 HA LEU 39 17.739 9.174 4.951 306 HB2 LEU 39 HB2 LEU 39 17.804 11.971 3.815 307 HB3 LEU 39 HB1 LEU 39 18.179 10.531 2.886 308 HG LEU 39 HG LEU 39 15.518 11.008 4.237 309 HD11 LEU 39 HD11 LEU 39 15.896 12.694 2.515 310 HD12 LEU 39 HD12 LEU 39 14.674 11.532 1.998 311 HD13 LEU 39 HD13 LEU 39 16.313 11.433 1.355 312 HD21 LEU 39 HD21 LEU 39 16.407 9.009 2.156 313 HD22 LEU 39 HD22 LEU 39 14.764 9.199 2.771 314 HD23 LEU 39 HD23 LEU 39 16.053 8.662 3.848 315 H SER 40 HN SER 40 19.809 9.157 3.464 316 HA SER 40 HA SER 40 22.030 9.732 5.268 317 HB2 SER 40 HB2 SER 40 21.761 7.435 4.383 318 HB3 SER 40 HB1 SER 40 21.962 8.056 2.746 319 HG SER 40 HG SER 40 23.993 7.616 3.139 320 H HIS 41 HN HIS 41 24.165 10.150 3.994 321 HA HIS 41 HA HIS 41 23.986 12.806 3.107 322 HB2 HIS 41 HB2 HIS 41 26.367 12.715 2.727 323 HB3 HIS 41 HB1 HIS 41 25.994 11.843 4.206 324 HD1 HIS 41 HD1 HIS 41 26.457 9.310 4.240 325 HD2 HIS 41 HD2 HIS 41 27.383 11.150 0.625 326 HE1 HIS 41 HE1 HIS 41 27.815 7.630 2.948 327 HE2 HIS 41 HE2 HIS 41 28.220 8.703 0.703 328 H ASP 42 HN ASP 42 23.924 9.804 1.335 329 HA ASP 42 HA ASP 42 24.530 10.997 -1.190 330 HB2 ASP 42 HB2 ASP 42 23.610 8.318 -0.295 331 HB3 ASP 42 HB1 ASP 42 23.299 8.768 -1.971 332 H GLU 43 HN GLU 43 21.516 9.947 0.379 333 HA GLU 43 HA GLU 43 19.767 10.765 -1.624 334 HB2 GLU 43 HB2 GLU 43 19.333 10.779 1.369 335 HB3 GLU 43 HB1 GLU 43 18.060 10.998 0.179 336 HG2 GLU 43 HG2 GLU 43 17.833 8.782 0.660 337 HG3 GLU 43 HG1 GLU 43 18.914 8.707 -0.731 338 H VAL 44 HN VAL 44 21.013 12.614 1.165 339 HA VAL 44 HA VAL 44 19.556 14.953 0.458 340 HB VAL 44 HB VAL 44 20.929 16.156 2.091 341 HG11 VAL 44 HG11 VAL 44 20.283 14.851 4.062 342 HG12 VAL 44 HG12 VAL 44 19.996 13.449 3.033 343 HG13 VAL 44 HG13 VAL 44 19.000 14.892 2.852 344 HG21 VAL 44 HG21 VAL 44 22.466 13.573 2.343 345 HG22 VAL 44 HG22 VAL 44 22.635 14.978 3.396 346 HG23 VAL 44 HG23 VAL 44 23.083 15.093 1.694 347 H LYS 45 HN LYS 45 22.843 13.858 -0.318 348 HA LYS 45 HA LYS 45 23.656 16.308 -1.496 349 HB2 LYS 45 HB2 LYS 45 25.275 14.555 -0.805 350 HB3 LYS 45 HB1 LYS 45 24.673 13.519 -2.098 351 HG2 LYS 45 HG2 LYS 45 25.476 15.050 -3.769 352 HG3 LYS 45 HG1 LYS 45 25.939 16.216 -2.529 353 HD2 LYS 45 HD2 LYS 45 27.573 14.620 -1.643 354 HD3 LYS 45 HD1 LYS 45 27.110 13.458 -2.888 355 HE2 LYS 45 HE2 LYS 45 27.845 15.000 -4.623 356 HE3 LYS 45 HE1 LYS 45 28.262 16.200 -3.400 357 HZ1 LYS 45 HZ1 LYS 45 29.507 13.507 -3.590 358 HZ2 LYS 45 HZ2 LYS 45 29.977 14.781 -2.567 359 HZ3 LYS 45 HZ3 LYS 45 30.180 14.922 -4.244 360 H ALA 46 HN ALA 46 22.063 13.423 -2.746 361 HA ALA 46 HA ALA 46 22.146 14.126 -5.477 362 HB1 ALA 46 HB1 ALA 46 21.669 11.854 -4.681 363 HB2 ALA 46 HB2 ALA 46 20.427 12.441 -5.788 364 HB3 ALA 46 HB3 ALA 46 20.118 12.411 -4.052 365 H VAL 47 HN VAL 47 19.580 14.539 -3.032 366 HA VAL 47 HA VAL 47 17.773 15.795 -4.796 367 HB VAL 47 HB VAL 47 17.046 14.738 -2.695 368 HG11 VAL 47 HG11 VAL 47 18.304 17.118 -1.344 369 HG12 VAL 47 HG12 VAL 47 18.828 15.439 -1.212 370 HG13 VAL 47 HG13 VAL 47 17.262 15.927 -0.565 371 HG21 VAL 47 HG21 VAL 47 16.326 17.650 -2.962 372 HG22 VAL 47 HG22 VAL 47 15.416 16.463 -2.028 373 HG23 VAL 47 HG23 VAL 47 15.555 16.288 -3.778 374 H ALA 48 HN ALA 48 20.225 17.113 -2.585 375 HA ALA 48 HA ALA 48 19.558 19.835 -3.026 376 HB1 ALA 48 HB1 ALA 48 22.219 18.642 -2.255 377 HB2 ALA 48 HB2 ALA 48 20.935 19.109 -1.138 378 HB3 ALA 48 HB3 ALA 48 21.758 20.337 -2.100 379 H ASN 49 HN ASN 49 21.719 17.574 -4.630 380 HA ASN 49 HA ASN 49 22.984 19.338 -6.389 381 HB2 ASN 49 HB2 ASN 49 23.990 17.263 -6.364 382 HB3 ASN 49 HB1 ASN 49 22.457 16.401 -6.353 383 HD21 ASN 49 HD21 ASN 49 21.516 15.824 -8.245 384 HD22 ASN 49 HD22 ASN 49 22.255 16.034 -9.797 385 H GLU 50 HN GLU 50 19.999 17.427 -6.849 386 HA GLU 50 HA GLU 50 19.645 18.464 -9.495 387 HB2 GLU 50 HB2 GLU 50 17.514 17.281 -9.496 388 HB3 GLU 50 HB1 GLU 50 18.809 16.249 -8.916 389 HG2 GLU 50 HG2 GLU 50 18.064 16.721 -6.597 390 HG3 GLU 50 HG1 GLU 50 16.695 17.607 -7.268 391 H LEU 51 HN LEU 51 18.507 19.360 -6.302 392 HA LEU 51 HA LEU 51 16.517 21.176 -7.121 393 HB2 LEU 51 HB2 LEU 51 17.080 20.289 -4.754 394 HB3 LEU 51 HB1 LEU 51 18.246 21.594 -4.695 395 HG LEU 51 HG LEU 51 16.055 22.073 -3.569 396 HD11 LEU 51 HD11 LEU 51 15.792 24.330 -4.502 397 HD12 LEU 51 HD12 LEU 51 16.823 23.872 -5.859 398 HD13 LEU 51 HD13 LEU 51 17.479 23.906 -4.221 399 HD21 LEU 51 HD21 LEU 51 15.026 22.072 -6.400 400 HD22 LEU 51 HD22 LEU 51 14.139 22.641 -4.985 401 HD23 LEU 51 HD23 LEU 51 14.583 20.940 -5.124 402 H MET 52 HN MET 52 19.971 21.639 -6.394 403 HA MET 52 HA MET 52 20.129 24.365 -7.048 404 HB2 MET 52 HB2 MET 52 22.156 22.143 -7.072 405 HB3 MET 52 HB1 MET 52 22.583 23.757 -7.611 406 HG2 MET 52 HG2 MET 52 21.942 24.633 -5.397 407 HG3 MET 52 HG1 MET 52 21.605 22.979 -4.876 408 HE1 MET 52 HE1 MET 52 25.022 24.195 -3.145 409 HE2 MET 52 HE2 MET 52 23.338 23.773 -2.834 410 HE3 MET 52 HE3 MET 52 23.731 25.270 -3.682 411 H ARG 53 HN ARG 53 20.331 21.476 -9.025 412 HA ARG 53 HA ARG 53 21.344 22.778 -11.342 413 HB2 ARG 53 HB2 ARG 53 21.613 20.351 -10.773 414 HB3 ARG 53 HB1 ARG 53 19.921 20.122 -11.192 415 HG2 ARG 53 HG2 ARG 53 20.368 20.815 -13.473 416 HG3 ARG 53 HG1 ARG 53 22.056 21.126 -13.065 417 HD2 ARG 53 HD2 ARG 53 20.629 18.473 -13.044 418 HD3 ARG 53 HD1 ARG 53 21.907 18.987 -14.144 419 HE ARG 53 HE ARG 53 22.614 18.967 -11.333 420 HH11 ARG 53 HH11 ARG 53 22.647 17.254 -14.378 421 HH12 ARG 53 HH12 ARG 53 23.868 16.126 -13.878 422 HH21 ARG 53 HH21 ARG 53 24.248 17.480 -10.675 423 HH22 ARG 53 HH22 ARG 53 24.774 16.258 -11.799 424 H LEU 54 HN LEU 54 18.094 21.679 -10.394 425 HA LEU 54 HA LEU 54 16.991 22.559 -12.924 426 HB2 LEU 54 HB2 LEU 54 15.894 21.150 -10.526 427 HB3 LEU 54 HB1 LEU 54 14.792 21.894 -11.666 428 HG LEU 54 HG LEU 54 15.788 20.491 -13.471 429 HD11 LEU 54 HD11 LEU 54 17.968 20.060 -12.491 430 HD12 LEU 54 HD12 LEU 54 17.134 18.547 -12.845 431 HD13 LEU 54 HD13 LEU 54 17.216 19.142 -11.187 432 HD21 LEU 54 HD21 LEU 54 13.726 19.837 -12.357 433 HD22 LEU 54 HD22 LEU 54 14.654 18.995 -11.115 434 HD23 LEU 54 HD23 LEU 54 14.690 18.422 -12.783 435 H GLY 55 HN GLY 55 17.146 23.751 -9.630 436 HA2 GLY 55 HA2 GLY 55 15.444 26.020 -10.468 437 HA3 GLY 55 HA1 GLY 55 15.397 25.342 -8.850 438 H ASP 56 HN ASP 56 15.900 27.295 -7.885 439 HA ASP 56 HA ASP 56 18.613 28.313 -8.376 440 HB2 ASP 56 HB2 ASP 56 16.125 29.641 -7.331 441 HB3 ASP 56 HB1 ASP 56 17.714 30.304 -6.969 442 H PHE 57 HN PHE 57 19.828 29.000 -6.482 443 HA PHE 57 HA PHE 57 19.099 28.039 -3.885 444 HB2 PHE 57 HB2 PHE 57 20.003 26.044 -5.443 445 HB3 PHE 57 HB1 PHE 57 21.552 26.699 -4.933 446 HD1 PHE 57 HD1 PHE 57 22.046 26.815 -2.453 447 HD2 PHE 57 HD2 PHE 57 18.751 24.661 -4.045 448 HE1 PHE 57 HE1 PHE 57 21.903 25.518 -0.370 449 HE2 PHE 57 HE2 PHE 57 18.593 23.358 -1.963 450 HZ PHE 57 HZ PHE 57 20.170 23.786 -0.121 451 H ASP 58 HN ASP 58 21.009 28.402 -2.359 452 HA ASP 58 HA ASP 58 22.237 30.918 -2.959 453 HB2 ASP 58 HB2 ASP 58 21.511 29.901 -0.639 454 HB3 ASP 58 HB1 ASP 58 23.120 29.186 -0.672 455 H GLN 59 HN GLN 59 24.606 31.250 -2.886 456 HA GLN 59 HA GLN 59 25.819 29.332 -4.674 457 HB2 GLN 59 HB2 GLN 59 25.949 31.842 -4.975 458 HB3 GLN 59 HB1 GLN 59 27.057 31.870 -3.611 459 HG2 GLN 59 HG2 GLN 59 28.349 31.902 -5.599 460 HG3 GLN 59 HG1 GLN 59 28.535 30.311 -4.864 461 HE21 GLN 59 HE21 GLN 59 28.946 31.141 -7.617 462 HE22 GLN 59 HE22 GLN 59 27.898 30.163 -8.588 463 H ILE 60 HN ILE 60 25.946 27.617 -3.122 464 HA ILE 60 HA ILE 60 28.486 27.669 -1.672 465 HB ILE 60 HB ILE 60 27.429 26.418 0.242 466 HG12 ILE 60 HG12 ILE 60 24.862 27.498 -0.944 467 HG13 ILE 60 HG11 ILE 60 25.342 25.805 -0.931 468 HG21 ILE 60 HG21 ILE 60 26.497 29.261 -0.141 469 HG22 ILE 60 HG22 ILE 60 28.081 28.761 0.454 470 HG23 ILE 60 HG23 ILE 60 26.634 28.410 1.400 471 HD11 ILE 60 HD11 ILE 60 25.273 25.808 1.508 472 HD12 ILE 60 HD12 ILE 60 23.722 26.272 0.808 473 HD13 ILE 60 HD13 ILE 60 24.787 27.503 1.490 474 H ASP 61 HN ASP 61 28.958 25.337 -0.861 475 HA ASP 61 HA ASP 61 28.019 23.413 -2.884 476 HB2 ASP 61 HB2 ASP 61 30.495 23.808 -2.813 477 HB3 ASP 61 HB1 ASP 61 30.501 23.217 -1.156 478 H ILE 62 HN ILE 62 26.823 21.719 -2.217 479 HA ILE 62 HA ILE 62 26.061 21.624 0.572 480 HB ILE 62 HB ILE 62 25.158 19.943 -1.774 481 HG12 ILE 62 HG12 ILE 62 24.485 22.285 -1.952 482 HG13 ILE 62 HG11 ILE 62 23.089 21.271 -1.611 483 HG21 ILE 62 HG21 ILE 62 24.902 18.686 0.281 484 HG22 ILE 62 HG22 ILE 62 23.322 19.211 -0.303 485 HG23 ILE 62 HG23 ILE 62 24.090 20.052 1.044 486 HD11 ILE 62 HD11 ILE 62 24.573 22.953 0.395 487 HD12 ILE 62 HD12 ILE 62 23.161 21.948 0.727 488 HD13 ILE 62 HD13 ILE 62 23.021 23.341 -0.345 489 H GLY 63 HN GLY 63 27.833 19.644 -1.730 490 HA2 GLY 63 HA2 GLY 63 28.070 17.285 -0.280 491 HA3 GLY 63 HA1 GLY 63 29.257 17.871 -1.435 492 H VAL 64 HN VAL 64 30.281 20.080 -0.264 493 HA VAL 64 HA VAL 64 32.131 19.033 1.547 494 HB VAL 64 HB VAL 64 32.486 21.073 0.148 495 HG11 VAL 64 HG11 VAL 64 30.817 22.436 2.251 496 HG12 VAL 64 HG12 VAL 64 30.401 22.233 0.550 497 HG13 VAL 64 HG13 VAL 64 31.768 23.248 1.009 498 HG21 VAL 64 HG21 VAL 64 33.034 21.377 3.097 499 HG22 VAL 64 HG22 VAL 64 33.846 22.266 1.808 500 HG23 VAL 64 HG23 VAL 64 34.035 20.515 1.927 501 H VAL 65 HN VAL 65 29.075 20.656 2.123 502 HA VAL 65 HA VAL 65 29.502 21.103 4.909 503 HB VAL 65 HB VAL 65 26.971 21.095 3.253 504 HG11 VAL 65 HG11 VAL 65 27.353 21.989 6.110 505 HG12 VAL 65 HG12 VAL 65 26.418 20.594 5.571 506 HG13 VAL 65 HG13 VAL 65 25.896 22.224 5.143 507 HG21 VAL 65 HG21 VAL 65 28.545 22.858 2.674 508 HG22 VAL 65 HG22 VAL 65 28.638 23.349 4.366 509 HG23 VAL 65 HG23 VAL 65 27.125 23.529 3.476 510 H ILE 66 HN ILE 66 27.689 18.674 3.053 511 HA ILE 66 HA ILE 66 26.662 17.474 5.458 512 HB ILE 66 HB ILE 66 25.526 15.901 3.971 513 HG12 ILE 66 HG12 ILE 66 27.010 17.336 1.755 514 HG13 ILE 66 HG11 ILE 66 27.307 15.681 2.277 515 HG21 ILE 66 HG21 ILE 66 25.371 18.772 3.069 516 HG22 ILE 66 HG22 ILE 66 24.502 18.052 4.425 517 HG23 ILE 66 HG23 ILE 66 24.143 17.541 2.776 518 HD11 ILE 66 HD11 ILE 66 24.771 16.720 1.049 519 HD12 ILE 66 HD12 ILE 66 25.055 15.062 1.579 520 HD13 ILE 66 HD13 ILE 66 25.996 15.738 0.248 521 H THR 67 HN THR 67 29.343 16.831 3.335 522 HA THR 67 HA THR 67 29.652 14.164 4.481 523 HB THR 67 HB THR 67 31.458 13.837 2.876 524 HG1 THR 67 HG1 THR 67 30.913 16.411 1.800 525 HG21 THR 67 HG21 THR 67 29.010 15.071 1.589 526 HG22 THR 67 HG22 THR 67 29.170 13.397 2.118 527 HG23 THR 67 HG23 THR 67 30.162 13.999 0.792 528 H HIS 68 HN HIS 68 30.765 17.364 4.897 529 HA HIS 68 HA HIS 68 32.840 16.397 6.741 530 HB2 HIS 68 HB2 HIS 68 33.776 17.313 4.555 531 HB3 HIS 68 HB1 HIS 68 33.165 18.884 5.060 532 HD1 HIS 68 HD1 HIS 68 34.651 20.246 6.557 533 HD2 HIS 68 HD2 HIS 68 35.802 16.248 6.343 534 HE1 HIS 68 HE1 HIS 68 36.857 20.103 7.759 535 HE2 HIS 68 HE2 HIS 68 37.581 17.696 7.540 536 H PHE 69 HN PHE 69 31.311 16.675 8.397 537 HA PHE 69 HA PHE 69 29.936 19.011 9.021 538 HB2 PHE 69 HB2 PHE 69 31.017 16.810 10.775 539 HB3 PHE 69 HB1 PHE 69 30.041 18.131 11.404 540 HD1 PHE 69 HD1 PHE 69 30.001 15.352 8.937 541 HD2 PHE 69 HD2 PHE 69 27.733 18.023 11.352 542 HE1 PHE 69 HE1 PHE 69 27.952 14.108 8.383 543 HE2 PHE 69 HE2 PHE 69 25.682 16.791 10.800 544 HZ PHE 69 HZ PHE 69 25.788 14.828 9.314 545 H THR 70 HN THR 70 30.355 20.738 10.354 546 HA THR 70 HA THR 70 33.188 21.336 10.839 547 HB THR 70 HB THR 70 30.917 23.318 11.012 548 HG1 THR 70 HG1 THR 70 32.058 22.125 8.744 549 HG21 THR 70 HG21 THR 70 33.036 24.147 11.804 550 HG22 THR 70 HG22 THR 70 32.713 24.876 10.230 551 HG23 THR 70 HG23 THR 70 33.859 23.544 10.367 552 H ASP 71 HN ASP 71 33.449 22.776 12.938 553 HA ASP 71 HA ASP 71 32.261 21.269 15.108 554 HB2 ASP 71 HB2 ASP 71 34.263 23.537 15.132 555 HB3 ASP 71 HB1 ASP 71 33.717 22.676 16.566 556 H GLU 72 HN GLU 72 32.422 24.686 14.144 557 HA GLU 72 HA GLU 72 30.621 25.553 16.167 558 HB2 GLU 72 HB2 GLU 72 31.130 27.050 13.608 559 HB3 GLU 72 HB1 GLU 72 30.771 27.700 15.200 560 HG2 GLU 72 HG2 GLU 72 32.990 28.148 15.112 561 HG3 GLU 72 HG1 GLU 72 33.060 26.528 15.804 562 H LEU 73 HN LEU 73 30.266 24.814 12.734 563 HA LEU 73 HA LEU 73 27.362 25.138 12.999 564 HB2 LEU 73 HB2 LEU 73 29.161 25.120 10.579 565 HB3 LEU 73 HB1 LEU 73 27.419 25.008 10.457 566 HG LEU 73 HG LEU 73 27.958 27.257 10.024 567 HD11 LEU 73 HD11 LEU 73 27.076 27.051 12.894 568 HD12 LEU 73 HD12 LEU 73 26.042 27.016 11.466 569 HD13 LEU 73 HD13 LEU 73 26.927 28.485 11.878 570 HD21 LEU 73 HD21 LEU 73 29.329 28.647 11.496 571 HD22 LEU 73 HD22 LEU 73 30.238 27.279 10.855 572 HD23 LEU 73 HD23 LEU 73 29.650 27.246 12.517 573 HA PRO 74 HA PRO 74 25.658 24.597 12.348 574 HB2 PRO 74 HB2 PRO 74 23.493 23.100 12.669 575 HB3 PRO 74 HB1 PRO 74 24.325 23.145 11.110 576 HG2 PRO 74 HG2 PRO 74 24.365 21.039 13.220 577 HG3 PRO 74 HG1 PRO 74 24.388 20.864 11.457 578 HD2 PRO 74 HD2 PRO 74 26.618 20.777 13.174 579 HD3 PRO 74 HD1 PRO 74 26.658 20.921 11.406 580 H SER 75 HN SER 75 24.149 25.327 14.008 581 HA SER 75 HA SER 75 24.767 24.265 16.676 582 HB2 SER 75 HB2 SER 75 23.430 26.888 15.956 583 HB3 SER 75 HB1 SER 75 24.012 26.399 17.547 584 HG SER 75 HG SER 75 25.398 27.376 15.361 585 HA PRO 76 HA PRO 76 20.667 22.593 17.203 586 HB2 PRO 76 HB2 PRO 76 20.178 23.507 19.782 587 HB3 PRO 76 HB1 PRO 76 21.022 22.011 19.373 588 HG2 PRO 76 HG2 PRO 76 22.139 24.670 20.139 589 HG3 PRO 76 HG1 PRO 76 22.717 23.045 20.551 590 HD2 PRO 76 HD2 PRO 76 23.922 24.540 18.675 591 HD3 PRO 76 HD1 PRO 76 23.789 22.775 18.517 592 H GLU 77 HN GLU 77 21.387 25.931 17.959 593 HA GLU 77 HA GLU 77 18.798 27.000 18.010 594 HB2 GLU 77 HB2 GLU 77 20.961 28.158 18.622 595 HB3 GLU 77 HB1 GLU 77 21.270 28.338 16.902 596 HG2 GLU 77 HG2 GLU 77 20.371 30.378 17.711 597 HG3 GLU 77 HG1 GLU 77 19.139 29.599 16.718 598 H ASP 78 HN ASP 78 21.094 26.543 15.346 599 HA ASP 78 HA ASP 78 19.462 27.591 13.298 600 HB2 ASP 78 HB2 ASP 78 21.581 25.448 12.997 601 HB3 ASP 78 HB1 ASP 78 20.977 26.517 11.738 602 H VAL 79 HN VAL 79 20.026 24.306 14.481 603 HA VAL 79 HA VAL 79 18.380 22.959 12.657 604 HB VAL 79 HB VAL 79 18.930 22.179 15.526 605 HG11 VAL 79 HG11 VAL 79 18.520 19.888 14.740 606 HG12 VAL 79 HG12 VAL 79 18.081 20.518 13.153 607 HG13 VAL 79 HG13 VAL 79 17.092 20.908 14.560 608 HG21 VAL 79 HG21 VAL 79 20.766 20.840 14.570 609 HG22 VAL 79 HG22 VAL 79 20.998 22.570 14.324 610 HG23 VAL 79 HG23 VAL 79 20.446 21.557 12.991 611 H GLU 80 HN GLU 80 17.580 24.445 15.782 612 HA GLU 80 HA GLU 80 14.879 23.615 15.841 613 HB2 GLU 80 HB2 GLU 80 16.087 24.474 17.812 614 HB3 GLU 80 HB1 GLU 80 16.152 26.067 17.075 615 HG2 GLU 80 HG2 GLU 80 13.803 26.341 17.257 616 HG3 GLU 80 HG1 GLU 80 13.577 24.652 17.707 617 H ARG 81 HN ARG 81 16.480 26.469 14.526 618 HA ARG 81 HA ARG 81 14.194 27.910 13.762 619 HB2 ARG 81 HB2 ARG 81 16.517 28.829 13.830 620 HB3 ARG 81 HB1 ARG 81 16.891 27.895 12.388 621 HG2 ARG 81 HG2 ARG 81 15.068 29.132 11.212 622 HG3 ARG 81 HG1 ARG 81 14.926 30.159 12.639 623 HD2 ARG 81 HD2 ARG 81 17.360 30.696 12.380 624 HD3 ARG 81 HD1 ARG 81 17.323 29.836 10.842 625 HE ARG 81 HE ARG 81 15.567 32.150 11.349 626 HH11 ARG 81 HH11 ARG 81 17.944 30.475 9.387 627 HH12 ARG 81 HH12 ARG 81 17.958 31.691 8.150 628 HH21 ARG 81 HH21 ARG 81 15.553 33.735 9.690 629 HH22 ARG 81 HH22 ARG 81 16.600 33.542 8.316 630 H VAL 82 HN VAL 82 16.271 25.729 11.840 631 HA VAL 82 HA VAL 82 14.699 25.901 9.503 632 HB VAL 82 HB VAL 82 17.085 25.097 9.605 633 HG11 VAL 82 HG11 VAL 82 16.875 23.512 11.439 634 HG12 VAL 82 HG12 VAL 82 17.501 22.728 9.989 635 HG13 VAL 82 HG13 VAL 82 15.815 22.501 10.454 636 HG21 VAL 82 HG21 VAL 82 16.827 23.503 7.763 637 HG22 VAL 82 HG22 VAL 82 15.767 24.900 7.579 638 HG23 VAL 82 HG23 VAL 82 15.109 23.360 8.134 639 H ARG 83 HN ARG 83 14.563 23.772 12.302 640 HA ARG 83 HA ARG 83 12.743 21.886 11.307 641 HB2 ARG 83 HB2 ARG 83 13.941 21.563 13.413 642 HB3 ARG 83 HB1 ARG 83 13.077 22.914 14.134 643 HG2 ARG 83 HG2 ARG 83 10.978 21.695 13.937 644 HG3 ARG 83 HG1 ARG 83 11.826 20.347 13.176 645 HD2 ARG 83 HD2 ARG 83 11.441 19.878 15.524 646 HD3 ARG 83 HD1 ARG 83 13.166 20.055 15.211 647 HE ARG 83 HE ARG 83 11.863 22.480 16.093 648 HH11 ARG 83 HH11 ARG 83 13.508 19.546 17.088 649 HH12 ARG 83 HH12 ARG 83 14.001 20.197 18.629 650 HH21 ARG 83 HH21 ARG 83 12.473 23.318 18.134 651 HH22 ARG 83 HH22 ARG 83 13.409 22.336 19.217 652 H ALA 84 HN ALA 84 12.156 24.885 13.143 653 HA ALA 84 HA ALA 84 9.335 24.713 13.036 654 HB1 ALA 84 HB1 ALA 84 11.053 27.170 13.347 655 HB2 ALA 84 HB2 ALA 84 10.528 26.111 14.655 656 HB3 ALA 84 HB3 ALA 84 9.340 27.040 13.741 657 H ARG 85 HN ARG 85 11.716 26.072 10.859 658 HA ARG 85 HA ARG 85 9.928 27.570 9.249 659 HB2 ARG 85 HB2 ARG 85 12.439 27.832 9.394 660 HB3 ARG 85 HB1 ARG 85 12.577 26.388 8.405 661 HG2 ARG 85 HG2 ARG 85 12.829 28.403 7.072 662 HG3 ARG 85 HG1 ARG 85 11.388 27.503 6.592 663 HD2 ARG 85 HD2 ARG 85 9.961 29.022 7.741 664 HD3 ARG 85 HD1 ARG 85 11.328 29.806 8.530 665 HE ARG 85 HE ARG 85 11.898 30.826 6.453 666 HH11 ARG 85 HH11 ARG 85 8.897 29.030 6.360 667 HH12 ARG 85 HH12 ARG 85 8.242 29.943 5.038 668 HH21 ARG 85 HH21 ARG 85 11.032 32.038 4.691 669 HH22 ARG 85 HH22 ARG 85 9.438 31.641 4.103 670 H LEU 86 HN LEU 86 11.228 24.284 9.002 671 HA LEU 86 HA LEU 86 9.934 23.794 6.478 672 HB2 LEU 86 HB2 LEU 86 11.681 22.247 8.316 673 HB3 LEU 86 HB1 LEU 86 10.673 21.342 7.205 674 HG LEU 86 HG LEU 86 12.979 21.720 6.370 675 HD11 LEU 86 HD11 LEU 86 10.776 23.029 4.784 676 HD12 LEU 86 HD12 LEU 86 11.194 21.315 4.790 677 HD13 LEU 86 HD13 LEU 86 12.324 22.498 4.129 678 HD21 LEU 86 HD21 LEU 86 12.145 24.615 6.293 679 HD22 LEU 86 HD22 LEU 86 13.609 23.945 5.573 680 HD23 LEU 86 HD23 LEU 86 13.392 23.914 7.323 681 H ALA 87 HN ALA 87 9.288 23.056 9.854 682 HA ALA 87 HA ALA 87 7.380 21.033 9.502 683 HB1 ALA 87 HB1 ALA 87 7.507 23.044 11.745 684 HB2 ALA 87 HB2 ALA 87 8.449 21.556 11.653 685 HB3 ALA 87 HB3 ALA 87 6.691 21.481 11.777 686 H ALA 88 HN ALA 88 7.107 24.476 9.170 687 HA ALA 88 HA ALA 88 4.333 24.768 9.500 688 HB1 ALA 88 HB1 ALA 88 4.587 26.872 8.306 689 HB2 ALA 88 HB2 ALA 88 6.186 26.380 7.752 690 HB3 ALA 88 HB3 ALA 88 5.894 26.653 9.469 691 H GLN 89 HN GLN 89 6.237 23.570 6.843 692 HA GLN 89 HA GLN 89 3.869 23.564 5.105 693 HB2 GLN 89 HB2 GLN 89 6.801 23.576 4.587 694 HB3 GLN 89 HB1 GLN 89 5.768 22.763 3.421 695 HG2 GLN 89 HG2 GLN 89 6.170 25.016 2.704 696 HG3 GLN 89 HG1 GLN 89 4.475 24.840 3.151 697 HE21 GLN 89 HE21 GLN 89 7.521 26.284 3.957 698 HE22 GLN 89 HE22 GLN 89 6.912 27.405 5.130 699 H GLY 90 HN GLY 90 5.113 21.608 7.326 700 HA2 GLY 90 HA2 GLY 90 3.857 19.413 7.311 701 HA3 GLY 90 HA1 GLY 90 4.616 19.162 5.747 702 H TRP 91 HN TRP 91 4.896 17.344 7.847 703 HA TRP 91 HA TRP 91 7.789 17.477 8.213 704 HB2 TRP 91 HB2 TRP 91 6.474 18.353 10.275 705 HB3 TRP 91 HB1 TRP 91 6.055 16.663 10.532 706 HD1 TRP 91 HD1 TRP 91 7.762 15.271 11.886 707 HE1 TRP 91 HE1 TRP 91 10.182 15.638 12.698 708 HE3 TRP 91 HE3 TRP 91 8.772 19.638 9.432 709 HZ2 TRP 91 HZ2 TRP 91 12.247 17.548 12.326 710 HZ3 TRP 91 HZ3 TRP 91 10.985 20.668 9.712 711 HH2 TRP 91 HH2 TRP 91 12.680 19.643 11.130 712 HA PRO 92 HA PRO 92 6.687 13.231 7.083 713 HB2 PRO 92 HB2 PRO 92 8.475 12.971 5.102 714 HB3 PRO 92 HB1 PRO 92 6.984 13.892 4.894 715 HG2 PRO 92 HG2 PRO 92 9.761 14.853 5.147 716 HG3 PRO 92 HG1 PRO 92 8.359 15.642 4.410 717 HD2 PRO 92 HD2 PRO 92 9.462 16.054 7.038 718 HD3 PRO 92 HD1 PRO 92 8.086 16.880 6.280 719 H LEU 93 HN LEU 93 8.568 14.026 9.284 720 HA LEU 93 HA LEU 93 10.750 12.117 8.875 721 HB2 LEU 93 HB2 LEU 93 10.342 14.389 10.764 722 HB3 LEU 93 HB1 LEU 93 11.430 13.092 11.216 723 HG LEU 93 HG LEU 93 12.656 13.513 9.036 724 HD11 LEU 93 HD11 LEU 93 10.917 14.740 7.871 725 HD12 LEU 93 HD12 LEU 93 12.377 15.719 8.023 726 HD13 LEU 93 HD13 LEU 93 10.996 16.026 9.075 727 HD21 LEU 93 HD21 LEU 93 13.891 15.410 9.937 728 HD22 LEU 93 HD22 LEU 93 13.509 14.239 11.200 729 HD23 LEU 93 HD23 LEU 93 12.580 15.733 11.072 730 H ASP 94 HN ASP 94 7.716 11.842 9.845 731 HA ASP 94 HA ASP 94 8.393 9.770 11.780 732 HB2 ASP 94 HB2 ASP 94 6.126 10.035 12.740 733 HB3 ASP 94 HB1 ASP 94 7.099 11.489 12.922 734 H ASP 95 HN ASP 95 7.267 7.870 11.572 735 HA ASP 95 HA ASP 95 6.629 7.326 8.769 736 HB2 ASP 95 HB2 ASP 95 7.534 5.458 10.967 737 HB3 ASP 95 HB1 ASP 95 7.235 4.988 9.296 738 H VAL 96 HN VAL 96 5.293 5.101 8.667 739 HA VAL 96 HA VAL 96 2.666 5.884 9.403 740 HB VAL 96 HB VAL 96 3.613 3.210 8.360 741 HG11 VAL 96 HG11 VAL 96 1.294 2.891 7.651 742 HG12 VAL 96 HG12 VAL 96 0.848 4.421 8.407 743 HG13 VAL 96 HG13 VAL 96 1.406 3.076 9.402 744 HG21 VAL 96 HG21 VAL 96 2.534 5.622 6.903 745 HG22 VAL 96 HG22 VAL 96 2.889 4.057 6.171 746 HG23 VAL 96 HG23 VAL 96 4.194 5.028 6.854 747 H ARG 97 HN ARG 97 2.098 5.914 11.457 748 HA ARG 97 HA ARG 97 2.472 3.476 13.069 749 HB2 ARG 97 HB2 ARG 97 2.099 6.354 13.938 750 HB3 ARG 97 HB1 ARG 97 2.107 4.984 15.040 751 HG2 ARG 97 HG2 ARG 97 4.415 5.596 13.219 752 HG3 ARG 97 HG1 ARG 97 4.259 6.296 14.832 753 HD2 ARG 97 HD2 ARG 97 4.188 3.333 14.300 754 HD3 ARG 97 HD1 ARG 97 5.671 4.211 14.669 755 HE ARG 97 HE ARG 97 4.362 4.912 16.774 756 HH11 ARG 97 HH11 ARG 97 4.057 1.796 15.176 757 HH12 ARG 97 HH12 ARG 97 3.681 0.946 16.653 758 HH21 ARG 97 HH21 ARG 97 3.872 3.779 18.701 759 HH22 ARG 97 HH22 ARG 97 3.570 2.067 18.636 760 H ASP 98 HN ASP 98 0.663 2.489 13.877 761 HA ASP 98 HA ASP 98 -1.817 3.086 12.632 762 HB2 ASP 98 HB2 ASP 98 -0.981 1.095 14.715 763 HB3 ASP 98 HB1 ASP 98 -2.684 1.324 14.339 764 H ARG 99 HN ARG 99 -3.616 4.026 13.342 765 HA ARG 99 HA ARG 99 -3.978 4.785 16.100 766 HB2 ARG 99 HB2 ARG 99 -2.741 6.732 15.448 767 HB3 ARG 99 HB1 ARG 99 -3.588 6.835 13.909 768 HG2 ARG 99 HG2 ARG 99 -5.700 7.229 15.267 769 HG3 ARG 99 HG1 ARG 99 -4.633 7.462 16.652 770 HD2 ARG 99 HD2 ARG 99 -4.125 8.983 14.138 771 HD3 ARG 99 HD1 ARG 99 -5.424 9.498 15.212 772 HE ARG 99 HE ARG 99 -3.263 9.221 16.849 773 HH11 ARG 99 HH11 ARG 99 -3.854 10.981 13.880 774 HH12 ARG 99 HH12 ARG 99 -2.883 12.353 14.347 775 HH21 ARG 99 HH21 ARG 99 -1.978 11.006 17.465 776 HH22 ARG 99 HH22 ARG 99 -1.805 12.360 16.388 777 H GLU 100 HN GLU 100 -5.975 3.958 16.327 778 HA GLU 100 HA GLU 100 -7.823 4.469 14.123 779 HB2 GLU 100 HB2 GLU 100 -9.160 2.542 14.970 780 HB3 GLU 100 HB1 GLU 100 -7.566 2.108 14.377 781 HG2 GLU 100 HG2 GLU 100 -6.738 1.841 16.600 782 HG3 GLU 100 HG1 GLU 100 -8.226 2.493 17.286 783 H GLU 101 HN GLU 101 -8.685 6.381 14.684 784 HA GLU 101 HA GLU 101 -10.144 6.456 17.240 785 HB2 GLU 101 HB2 GLU 101 -9.040 8.739 15.593 786 HB3 GLU 101 HB1 GLU 101 -10.109 8.950 16.973 787 HG2 GLU 101 HG2 GLU 101 -8.423 7.810 18.389 788 HG3 GLU 101 HG1 GLU 101 -7.343 7.762 16.996 789 H HIS 102 HN HIS 102 -12.024 5.545 16.603 790 HA HIS 102 HA HIS 102 -13.218 6.015 14.083 791 HB2 HIS 102 HB2 HIS 102 -15.242 4.901 15.068 792 HB3 HIS 102 HB1 HIS 102 -13.760 3.964 15.173 793 HD1 HIS 102 HD1 HIS 102 -13.184 3.054 17.426 794 HD2 HIS 102 HD2 HIS 102 -15.979 6.136 17.631 795 HE1 HIS 102 HE1 HIS 102 -13.944 3.132 19.823 796 HE2 HIS 102 HE2 HIS 102 -15.678 4.960 19.913 797 H ALA 103 HN ALA 103 -14.284 7.672 13.371 798 HA ALA 103 HA ALA 103 -15.832 9.330 15.216 799 HB1 ALA 103 HB1 ALA 103 -14.907 11.384 14.260 800 HB2 ALA 103 HB2 ALA 103 -13.797 10.428 13.276 801 HB3 ALA 103 HB3 ALA 103 -13.654 10.415 15.034 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 2.614 3.042 -10.669 2 H2 GLY 1 HT2 GLY 1 1.727 1.812 -9.911 3 H3 GLY 1 HT3 GLY 1 2.272 1.604 -11.503 4 HA2 GLY 1 HA1 GLY 1 3.624 0.349 -9.939 5 HA3 GLY 1 HA2 GLY 1 4.551 1.576 -10.792 6 H SER 2 HN SER 2 5.831 0.867 -8.727 7 HA SER 2 HA SER 2 5.200 2.828 -6.617 8 HB2 SER 2 HB2 SER 2 6.557 0.140 -6.268 9 HB3 SER 2 HB1 SER 2 6.198 1.300 -4.986 10 HG SER 2 HG SER 2 3.927 1.059 -5.811 11 H HIS 3 HN HIS 3 6.729 4.312 -6.253 12 HA HIS 3 HA HIS 3 9.485 3.775 -7.079 13 HB2 HIS 3 HB2 HIS 3 7.862 6.147 -8.038 14 HB3 HIS 3 HB1 HIS 3 9.608 6.009 -8.205 15 HD1 HIS 3 HD1 HIS 3 10.505 4.408 -10.024 16 HD2 HIS 3 HD2 HIS 3 6.352 4.566 -9.807 17 HE1 HIS 3 HE1 HIS 3 9.669 3.265 -12.109 18 HE2 HIS 3 HE2 HIS 3 7.153 3.470 -12.013 19 H MET 4 HN MET 4 10.810 4.352 -5.500 20 HA MET 4 HA MET 4 9.914 5.907 -3.265 21 HB2 MET 4 HB2 MET 4 12.185 5.589 -2.395 22 HB3 MET 4 HB1 MET 4 11.507 4.074 -2.971 23 HG2 MET 4 HG2 MET 4 12.788 4.331 -5.061 24 HG3 MET 4 HG1 MET 4 13.512 5.798 -4.408 25 HE1 MET 4 HE1 MET 4 15.091 5.827 -2.246 26 HE2 MET 4 HE2 MET 4 15.520 4.379 -1.337 27 HE3 MET 4 HE3 MET 4 13.859 4.970 -1.320 28 H ASN 5 HN ASN 5 11.168 6.678 -6.275 29 HA ASN 5 HA ASN 5 12.668 8.999 -5.704 30 HB2 ASN 5 HB2 ASN 5 12.767 7.842 -7.868 31 HB3 ASN 5 HB1 ASN 5 11.091 8.278 -8.185 32 HD21 ASN 5 HD21 ASN 5 10.597 10.346 -8.825 33 HD22 ASN 5 HD22 ASN 5 11.806 11.504 -9.284 34 H ARG 6 HN ARG 6 9.259 8.366 -5.965 35 HA ARG 6 HA ARG 6 8.275 10.956 -6.330 36 HB2 ARG 6 HB2 ARG 6 6.966 8.819 -6.473 37 HB3 ARG 6 HB1 ARG 6 7.007 8.726 -4.722 38 HG2 ARG 6 HG2 ARG 6 5.838 11.105 -6.122 39 HG3 ARG 6 HG1 ARG 6 4.897 9.637 -5.860 40 HD2 ARG 6 HD2 ARG 6 6.188 11.361 -3.749 41 HD3 ARG 6 HD1 ARG 6 4.464 11.229 -4.091 42 HE ARG 6 HE ARG 6 5.931 8.824 -3.264 43 HH11 ARG 6 HH11 ARG 6 3.562 11.307 -2.552 44 HH12 ARG 6 HH12 ARG 6 2.905 10.464 -1.179 45 HH21 ARG 6 HH21 ARG 6 5.054 7.703 -1.468 46 HH22 ARG 6 HH22 ARG 6 3.765 8.437 -0.560 47 H PHE 7 HN PHE 7 9.019 9.161 -3.364 48 HA PHE 7 HA PHE 7 8.306 11.123 -1.510 49 HB2 PHE 7 HB2 PHE 7 8.807 8.795 -0.894 50 HB3 PHE 7 HB1 PHE 7 10.499 9.045 -1.312 51 HD1 PHE 7 HD2 PHE 7 7.828 10.275 0.959 52 HD2 PHE 7 HD1 PHE 7 12.003 9.765 0.304 53 HE1 PHE 7 HE2 PHE 7 8.276 11.012 3.263 54 HE2 PHE 7 HE1 PHE 7 12.457 10.500 2.608 55 HZ PHE 7 HZ PHE 7 10.593 11.125 4.090 56 H LEU 8 HN LEU 8 11.433 10.486 -3.068 57 HA LEU 8 HA LEU 8 12.895 12.523 -1.822 58 HB2 LEU 8 HB2 LEU 8 13.246 11.396 -4.602 59 HB3 LEU 8 HB1 LEU 8 14.445 12.323 -3.721 60 HG LEU 8 HG LEU 8 13.388 9.613 -2.909 61 HD11 LEU 8 HD11 LEU 8 16.049 10.424 -4.064 62 HD12 LEU 8 HD12 LEU 8 14.796 9.497 -4.888 63 HD13 LEU 8 HD13 LEU 8 15.622 8.813 -3.489 64 HD21 LEU 8 HD21 LEU 8 14.010 10.984 -0.986 65 HD22 LEU 8 HD22 LEU 8 15.584 11.300 -1.714 66 HD23 LEU 8 HD23 LEU 8 15.153 9.663 -1.224 67 H THR 9 HN THR 9 11.029 12.534 -4.829 68 HA THR 9 HA THR 9 11.563 15.184 -5.594 69 HB THR 9 HB THR 9 9.025 13.619 -6.115 70 HG1 THR 9 HG1 THR 9 10.846 12.416 -6.786 71 HG21 THR 9 HG21 THR 9 8.856 15.984 -6.714 72 HG22 THR 9 HG22 THR 9 8.905 14.979 -8.163 73 HG23 THR 9 HG23 THR 9 10.342 15.864 -7.655 74 H SER 10 HN SER 10 9.118 13.778 -3.478 75 HA SER 10 HA SER 10 7.635 16.129 -3.009 76 HB2 SER 10 HB2 SER 10 8.022 13.761 -1.161 77 HB3 SER 10 HB1 SER 10 6.719 14.946 -1.079 78 HG SER 10 HG SER 10 7.228 13.115 -3.196 79 H ILE 11 HN ILE 11 10.485 14.729 -1.456 80 HA ILE 11 HA ILE 11 10.737 16.556 0.660 81 HB ILE 11 HB ILE 11 12.931 15.134 -0.864 82 HG12 ILE 11 HG12 ILE 11 11.333 13.573 0.117 83 HG13 ILE 11 HG11 ILE 11 12.857 13.512 0.995 84 HG21 ILE 11 HG21 ILE 11 14.302 15.498 1.139 85 HG22 ILE 11 HG22 ILE 11 13.002 16.459 1.846 86 HG23 ILE 11 HG23 ILE 11 13.819 17.017 0.385 87 HD11 ILE 11 HD11 ILE 11 11.894 14.892 2.761 88 HD12 ILE 11 HD12 ILE 11 10.959 13.418 2.502 89 HD13 ILE 11 HD13 ILE 11 10.370 14.959 1.876 90 H VAL 12 HN VAL 12 12.143 16.603 -2.608 91 HA VAL 12 HA VAL 12 13.469 19.026 -2.539 92 HB VAL 12 HB VAL 12 11.884 17.912 -4.864 93 HG11 VAL 12 HG11 VAL 12 12.441 20.258 -5.202 94 HG12 VAL 12 HG12 VAL 12 13.399 19.231 -6.269 95 HG13 VAL 12 HG13 VAL 12 14.130 19.924 -4.824 96 HG21 VAL 12 HG21 VAL 12 14.794 17.564 -4.162 97 HG22 VAL 12 HG22 VAL 12 13.989 16.931 -5.595 98 HG23 VAL 12 HG23 VAL 12 13.542 16.332 -3.997 99 H ALA 13 HN ALA 13 10.081 18.461 -3.488 100 HA ALA 13 HA ALA 13 9.384 21.151 -3.882 101 HB1 ALA 13 HB1 ALA 13 7.077 20.409 -3.736 102 HB2 ALA 13 HB2 ALA 13 7.590 18.888 -3.009 103 HB3 ALA 13 HB3 ALA 13 8.031 19.263 -4.676 104 H TRP 14 HN TRP 14 9.066 19.085 -1.029 105 HA TRP 14 HA TRP 14 7.840 20.882 0.709 106 HB2 TRP 14 HB2 TRP 14 7.960 18.592 1.289 107 HB3 TRP 14 HB1 TRP 14 9.703 18.548 1.103 108 HD1 TRP 14 HD1 TRP 14 7.489 20.799 3.404 109 HE1 TRP 14 HE1 TRP 14 8.354 20.499 5.817 110 HE3 TRP 14 HE3 TRP 14 11.159 17.363 2.512 111 HZ2 TRP 14 HZ2 TRP 14 10.349 18.981 7.155 112 HZ3 TRP 14 HZ3 TRP 14 12.492 16.529 4.398 113 HH2 TRP 14 HH2 TRP 14 12.097 17.310 6.669 114 H LEU 15 HN LEU 15 11.308 20.269 0.192 115 HA LEU 15 HA LEU 15 12.273 22.081 2.093 116 HB2 LEU 15 HB2 LEU 15 13.558 21.233 -0.502 117 HB3 LEU 15 HB1 LEU 15 14.382 22.039 0.817 118 HG LEU 15 HG LEU 15 13.218 19.257 0.831 119 HD11 LEU 15 HD11 LEU 15 16.040 20.283 1.099 120 HD12 LEU 15 HD12 LEU 15 15.354 19.470 -0.308 121 HD13 LEU 15 HD13 LEU 15 15.539 18.596 1.212 122 HD21 LEU 15 HD21 LEU 15 14.499 20.800 3.087 123 HD22 LEU 15 HD22 LEU 15 14.067 19.090 3.124 124 HD23 LEU 15 HD23 LEU 15 12.806 20.315 2.987 125 H ARG 16 HN ARG 16 11.760 22.552 -1.420 126 HA ARG 16 HA ARG 16 12.631 25.262 -1.277 127 HB2 ARG 16 HB2 ARG 16 12.003 25.470 -3.583 128 HB3 ARG 16 HB1 ARG 16 12.797 23.924 -3.343 129 HG2 ARG 16 HG2 ARG 16 10.668 22.780 -3.428 130 HG3 ARG 16 HG1 ARG 16 9.820 24.326 -3.560 131 HD2 ARG 16 HD2 ARG 16 11.128 24.772 -5.639 132 HD3 ARG 16 HD1 ARG 16 11.766 23.138 -5.527 133 HE ARG 16 HE ARG 16 9.592 22.296 -6.011 134 HH11 ARG 16 HH11 ARG 16 9.744 25.788 -6.106 135 HH12 ARG 16 HH12 ARG 16 8.477 25.948 -7.287 136 HH21 ARG 16 HH21 ARG 16 7.915 22.487 -7.566 137 HH22 ARG 16 HH22 ARG 16 7.434 24.068 -8.119 138 H ALA 17 HN ALA 17 9.468 23.716 -1.085 139 HA ALA 17 HA ALA 17 7.934 26.099 -1.258 140 HB1 ALA 17 HB1 ALA 17 6.119 24.800 -0.272 141 HB2 ALA 17 HB2 ALA 17 7.254 23.521 0.164 142 HB3 ALA 17 HB3 ALA 17 6.935 23.877 -1.534 143 H GLY 18 HN GLY 18 9.627 24.474 1.335 144 HA2 GLY 18 HA2 GLY 18 8.613 26.048 3.462 145 HA3 GLY 18 HA1 GLY 18 10.124 25.150 3.470 146 H TYR 19 HN TYR 19 10.986 26.704 1.003 147 HA TYR 19 HA TYR 19 11.459 29.314 2.228 148 HB2 TYR 19 HB2 TYR 19 13.572 27.290 1.590 149 HB3 TYR 19 HB1 TYR 19 13.942 29.003 1.444 150 HD1 TYR 19 HD2 TYR 19 13.946 30.446 3.406 151 HD2 TYR 19 HD1 TYR 19 13.257 26.264 3.765 152 HE1 TYR 19 HE2 TYR 19 14.366 30.593 5.819 153 HE2 TYR 19 HE1 TYR 19 13.661 26.396 6.192 154 HH TYR 19 HH TYR 19 15.085 28.187 7.748 155 HA PRO 20 HA PRO 20 10.610 29.692 -2.303 156 HB2 PRO 20 HB2 PRO 20 8.973 31.848 -2.043 157 HB3 PRO 20 HB1 PRO 20 8.395 30.182 -1.926 158 HG2 PRO 20 HG2 PRO 20 9.049 32.117 0.262 159 HG3 PRO 20 HG1 PRO 20 7.680 30.996 0.129 160 HD2 PRO 20 HD2 PRO 20 9.855 30.469 1.653 161 HD3 PRO 20 HD1 PRO 20 8.926 29.194 0.840 162 H GLU 21 HN GLU 21 11.752 31.715 0.224 163 HA GLU 21 HA GLU 21 12.651 33.915 -1.387 164 HB2 GLU 21 HB2 GLU 21 13.753 33.147 1.312 165 HB3 GLU 21 HB1 GLU 21 13.636 34.749 0.602 166 HG2 GLU 21 HG2 GLU 21 11.294 33.087 1.498 167 HG3 GLU 21 HG1 GLU 21 12.048 34.367 2.445 168 H GLY 22 HN GLY 22 13.690 30.762 -0.872 169 HA2 GLY 22 HA2 GLY 22 15.671 29.899 -1.985 170 HA3 GLY 22 HA1 GLY 22 16.480 31.411 -1.572 171 H ILE 23 HN ILE 23 17.533 28.888 -0.886 172 HA ILE 23 HA ILE 23 16.918 28.628 1.973 173 HB ILE 23 HB ILE 23 18.493 26.735 0.218 174 HG12 ILE 23 HG12 ILE 23 15.643 26.529 1.217 175 HG13 ILE 23 HG11 ILE 23 16.111 26.898 -0.439 176 HG21 ILE 23 HG21 ILE 23 17.411 26.424 3.017 177 HG22 ILE 23 HG22 ILE 23 19.109 26.600 2.568 178 HG23 ILE 23 HG23 ILE 23 18.210 25.162 2.079 179 HD11 ILE 23 HD11 ILE 23 15.453 24.572 -0.195 180 HD12 ILE 23 HD12 ILE 23 16.703 24.339 1.028 181 HD13 ILE 23 HD13 ILE 23 17.156 24.708 -0.637 182 HA PRO 24 HA PRO 24 20.715 31.039 2.304 183 HB2 PRO 24 HB2 PRO 24 20.439 31.559 4.975 184 HB3 PRO 24 HB1 PRO 24 19.632 32.484 3.706 185 HG2 PRO 24 HG2 PRO 24 18.547 30.315 5.449 186 HG3 PRO 24 HG1 PRO 24 17.769 31.806 4.890 187 HD2 PRO 24 HD2 PRO 24 17.285 29.373 3.784 188 HD3 PRO 24 HD1 PRO 24 17.176 30.892 2.877 189 HA PRO 25 HA PRO 25 23.748 28.146 3.639 190 HB2 PRO 25 HB2 PRO 25 25.008 30.423 5.088 191 HB3 PRO 25 HB1 PRO 25 25.704 29.320 3.897 192 HG2 PRO 25 HG2 PRO 25 25.065 31.817 3.229 193 HG3 PRO 25 HG1 PRO 25 24.808 30.472 2.102 194 HD2 PRO 25 HD2 PRO 25 22.823 31.971 3.747 195 HD3 PRO 25 HD1 PRO 25 22.652 31.278 2.122 196 H THR 26 HN THR 26 22.373 30.308 6.037 197 HA THR 26 HA THR 26 23.307 28.996 8.354 198 HB THR 26 HB THR 26 21.339 30.183 9.446 199 HG1 THR 26 HG1 THR 26 19.848 30.488 7.887 200 HG21 THR 26 HG21 THR 26 22.302 32.419 9.131 201 HG22 THR 26 HG22 THR 26 23.185 31.843 7.716 202 HG23 THR 26 HG23 THR 26 23.567 31.204 9.315 203 H ASP 27 HN ASP 27 20.478 28.586 6.323 204 HA ASP 27 HA ASP 27 19.333 26.682 8.220 205 HB2 ASP 27 HB2 ASP 27 18.166 28.202 5.897 206 HB3 ASP 27 HB1 ASP 27 17.295 26.910 6.716 207 H SER 28 HN SER 28 20.868 26.804 5.130 208 HA SER 28 HA SER 28 19.781 24.467 3.989 209 HB2 SER 28 HB2 SER 28 21.934 24.492 2.637 210 HB3 SER 28 HB1 SER 28 20.963 25.965 2.570 211 HG SER 28 HG SER 28 22.819 26.830 3.093 212 H PHE 29 HN PHE 29 22.765 24.968 5.861 213 HA PHE 29 HA PHE 29 23.479 22.235 5.962 214 HB2 PHE 29 HB2 PHE 29 24.207 24.516 7.815 215 HB3 PHE 29 HB1 PHE 29 24.949 22.922 7.864 216 HD1 PHE 29 HD2 PHE 29 24.515 23.121 4.560 217 HD2 PHE 29 HD1 PHE 29 26.683 25.163 7.597 218 HE1 PHE 29 HE2 PHE 29 26.166 23.844 2.887 219 HE2 PHE 29 HE1 PHE 29 28.341 25.884 5.930 220 HZ PHE 29 HZ PHE 29 28.084 25.229 3.572 221 H ALA 30 HN ALA 30 21.393 24.253 7.860 222 HA ALA 30 HA ALA 30 20.880 22.478 9.982 223 HB1 ALA 30 HB1 ALA 30 18.748 23.790 10.187 224 HB2 ALA 30 HB2 ALA 30 19.226 24.666 8.735 225 HB3 ALA 30 HB3 ALA 30 20.220 24.759 10.188 226 H VAL 31 HN VAL 31 19.372 22.934 6.805 227 HA VAL 31 HA VAL 31 17.377 20.979 7.037 228 HB VAL 31 HB VAL 31 18.822 21.964 4.566 229 HG11 VAL 31 HG11 VAL 31 16.965 21.027 3.278 230 HG12 VAL 31 HG12 VAL 31 16.299 20.318 4.750 231 HG13 VAL 31 HG13 VAL 31 17.856 19.769 4.132 232 HG21 VAL 31 HG21 VAL 31 17.568 23.690 5.731 233 HG22 VAL 31 HG22 VAL 31 16.129 22.672 5.729 234 HG23 VAL 31 HG23 VAL 31 16.784 23.277 4.207 235 H LEU 32 HN LEU 32 20.725 20.730 5.815 236 HA LEU 32 HA LEU 32 20.506 18.020 5.067 237 HB2 LEU 32 HB2 LEU 32 22.810 18.012 4.705 238 HB3 LEU 32 HB1 LEU 32 22.323 19.660 4.389 239 HG LEU 32 HG LEU 32 23.080 20.037 6.887 240 HD11 LEU 32 HD11 LEU 32 24.772 17.681 6.075 241 HD12 LEU 32 HD12 LEU 32 23.492 17.639 7.288 242 HD13 LEU 32 HD13 LEU 32 24.921 18.640 7.550 243 HD21 LEU 32 HD21 LEU 32 24.041 21.090 4.882 244 HD22 LEU 32 HD22 LEU 32 25.065 19.672 4.648 245 HD23 LEU 32 HD23 LEU 32 25.264 20.680 6.086 246 H ALA 33 HN ALA 33 21.493 19.540 8.114 247 HA ALA 33 HA ALA 33 22.167 17.138 9.449 248 HB1 ALA 33 HB1 ALA 33 22.837 19.338 10.277 249 HB2 ALA 33 HB2 ALA 33 21.962 18.429 11.507 250 HB3 ALA 33 HB3 ALA 33 21.152 19.724 10.625 251 H LEU 34 HN LEU 34 19.157 18.916 9.090 252 HA LEU 34 HA LEU 34 17.560 17.372 10.823 253 HB2 LEU 34 HB2 LEU 34 16.952 19.588 9.864 254 HB3 LEU 34 HB1 LEU 34 16.755 18.817 8.300 255 HG LEU 34 HG LEU 34 14.933 17.434 9.266 256 HD11 LEU 34 HD11 LEU 34 13.971 18.089 11.407 257 HD12 LEU 34 HD12 LEU 34 15.272 19.257 11.645 258 HD13 LEU 34 HD13 LEU 34 15.632 17.530 11.608 259 HD21 LEU 34 HD21 LEU 34 14.608 20.425 9.466 260 HD22 LEU 34 HD22 LEU 34 13.294 19.258 9.325 261 HD23 LEU 34 HD23 LEU 34 14.445 19.452 8.002 262 H LEU 35 HN LEU 35 18.038 17.222 7.308 263 HA LEU 35 HA LEU 35 16.332 15.014 6.918 264 HB2 LEU 35 HB2 LEU 35 18.529 16.152 5.202 265 HB3 LEU 35 HB1 LEU 35 17.485 14.841 4.686 266 HG LEU 35 HG LEU 35 16.600 17.646 5.371 267 HD11 LEU 35 HD11 LEU 35 16.072 17.792 2.991 268 HD12 LEU 35 HD12 LEU 35 16.738 16.178 2.742 269 HD13 LEU 35 HD13 LEU 35 17.790 17.498 3.253 270 HD21 LEU 35 HD21 LEU 35 14.401 16.922 4.575 271 HD22 LEU 35 HD22 LEU 35 14.909 16.007 5.996 272 HD23 LEU 35 HD23 LEU 35 15.009 15.276 4.393 273 H CYS 36 HN CYS 36 19.690 15.274 7.789 274 HA CYS 36 HA CYS 36 20.577 12.723 7.048 275 HB2 CYS 36 HB2 CYS 36 22.075 14.550 7.745 276 HB3 CYS 36 HB1 CYS 36 21.474 14.410 9.392 277 HG CYS 36 HG CYS 36 22.400 11.443 8.776 278 H ARG 37 HN ARG 37 18.328 13.598 9.461 279 HA ARG 37 HA ARG 37 18.799 11.196 11.040 280 HB2 ARG 37 HB2 ARG 37 16.707 13.357 11.328 281 HB3 ARG 37 HB1 ARG 37 16.945 12.023 12.448 282 HG2 ARG 37 HG2 ARG 37 19.452 13.201 12.209 283 HG3 ARG 37 HG1 ARG 37 18.317 14.551 12.276 284 HD2 ARG 37 HD2 ARG 37 19.015 13.974 14.513 285 HD3 ARG 37 HD1 ARG 37 17.314 13.560 14.303 286 HE ARG 37 HE ARG 37 19.504 11.579 14.185 287 HH11 ARG 37 HH11 ARG 37 16.259 12.524 15.119 288 HH12 ARG 37 HH12 ARG 37 15.886 10.987 15.849 289 HH21 ARG 37 HH21 ARG 37 19.032 9.574 15.118 290 HH22 ARG 37 HH22 ARG 37 17.465 9.286 15.820 291 H ARG 38 HN ARG 38 17.311 11.847 8.197 292 HA ARG 38 HA ARG 38 15.438 9.607 8.562 293 HB2 ARG 38 HB2 ARG 38 14.124 11.658 8.441 294 HB3 ARG 38 HB1 ARG 38 14.953 12.144 6.972 295 HG2 ARG 38 HG2 ARG 38 12.659 11.235 6.636 296 HG3 ARG 38 HG1 ARG 38 13.918 10.415 5.713 297 HD2 ARG 38 HD2 ARG 38 12.303 8.851 6.710 298 HD3 ARG 38 HD1 ARG 38 13.944 8.591 7.294 299 HE ARG 38 HE ARG 38 13.022 10.097 9.247 300 HH11 ARG 38 HH11 ARG 38 11.337 7.568 7.512 301 HH12 ARG 38 HH12 ARG 38 10.451 7.026 8.910 302 HH21 ARG 38 HH21 ARG 38 11.837 9.396 11.083 303 HH22 ARG 38 HH22 ARG 38 10.726 8.061 10.924 304 H LEU 39 HN LEU 39 17.587 11.382 6.443 305 HA LEU 39 HA LEU 39 17.820 8.991 4.740 306 HB2 LEU 39 HB2 LEU 39 17.981 11.873 3.833 307 HB3 LEU 39 HB1 LEU 39 18.189 10.458 2.823 308 HG LEU 39 HG LEU 39 15.616 11.145 4.233 309 HD11 LEU 39 HD11 LEU 39 16.160 12.847 2.578 310 HD12 LEU 39 HD12 LEU 39 14.808 11.853 2.039 311 HD13 LEU 39 HD13 LEU 39 16.416 11.598 1.361 312 HD21 LEU 39 HD21 LEU 39 15.875 8.774 3.753 313 HD22 LEU 39 HD22 LEU 39 16.268 9.142 2.072 314 HD23 LEU 39 HD23 LEU 39 14.656 9.490 2.699 315 H SER 40 HN SER 40 20.016 9.012 3.543 316 HA SER 40 HA SER 40 22.022 9.708 5.542 317 HB2 SER 40 HB2 SER 40 23.385 8.099 4.611 318 HB3 SER 40 HB1 SER 40 21.809 7.458 4.150 319 HG SER 40 HG SER 40 22.123 8.070 2.091 320 H HIS 41 HN HIS 41 24.250 10.322 4.425 321 HA HIS 41 HA HIS 41 23.895 12.946 3.491 322 HB2 HIS 41 HB2 HIS 41 26.321 13.073 3.260 323 HB3 HIS 41 HB1 HIS 41 25.857 12.372 4.797 324 HD1 HIS 41 HD1 HIS 41 28.571 11.759 4.431 325 HD2 HIS 41 HD2 HIS 41 25.736 9.540 2.350 326 HE1 HIS 41 HE1 HIS 41 29.740 9.646 3.737 327 HE2 HIS 41 HE2 HIS 41 28.079 8.461 2.258 328 H ASP 42 HN ASP 42 24.070 9.956 1.791 329 HA ASP 42 HA ASP 42 24.825 11.103 -0.727 330 HB2 ASP 42 HB2 ASP 42 23.803 8.440 0.160 331 HB3 ASP 42 HB1 ASP 42 23.720 8.857 -1.550 332 H GLU 43 HN GLU 43 21.769 10.132 0.783 333 HA GLU 43 HA GLU 43 20.107 10.922 -1.333 334 HB2 GLU 43 HB2 GLU 43 19.569 10.774 1.620 335 HB3 GLU 43 HB1 GLU 43 18.325 11.152 0.439 336 HG2 GLU 43 HG2 GLU 43 17.974 8.924 0.677 337 HG3 GLU 43 HG1 GLU 43 19.149 8.897 -0.640 338 H VAL 44 HN VAL 44 21.266 12.738 1.513 339 HA VAL 44 HA VAL 44 19.869 15.104 0.784 340 HB VAL 44 HB VAL 44 21.250 16.307 2.379 341 HG11 VAL 44 HG11 VAL 44 20.417 13.592 3.389 342 HG12 VAL 44 HG12 VAL 44 19.381 15.010 3.227 343 HG13 VAL 44 HG13 VAL 44 20.710 15.014 4.388 344 HG21 VAL 44 HG21 VAL 44 22.864 13.770 2.569 345 HG22 VAL 44 HG22 VAL 44 23.019 15.160 3.644 346 HG23 VAL 44 HG23 VAL 44 23.412 15.320 1.932 347 H LYS 45 HN LYS 45 23.071 13.850 -0.043 348 HA LYS 45 HA LYS 45 24.012 16.096 -1.442 349 HB2 LYS 45 HB2 LYS 45 25.466 14.180 -1.007 350 HB3 LYS 45 HB1 LYS 45 24.470 13.152 -2.023 351 HG2 LYS 45 HG2 LYS 45 25.034 14.776 -3.914 352 HG3 LYS 45 HG1 LYS 45 26.290 15.391 -2.840 353 HD2 LYS 45 HD2 LYS 45 26.012 12.512 -3.702 354 HD3 LYS 45 HD1 LYS 45 27.106 13.680 -4.439 355 HE2 LYS 45 HE2 LYS 45 28.194 13.966 -2.215 356 HE3 LYS 45 HE1 LYS 45 27.169 12.672 -1.596 357 HZ1 LYS 45 HZ1 LYS 45 28.159 11.145 -3.160 358 HZ2 LYS 45 HZ2 LYS 45 29.389 11.891 -2.264 359 HZ3 LYS 45 HZ3 LYS 45 29.080 12.387 -3.856 360 H ALA 46 HN ALA 46 21.929 13.423 -2.426 361 HA ALA 46 HA ALA 46 21.720 14.132 -5.150 362 HB1 ALA 46 HB1 ALA 46 21.185 11.900 -4.301 363 HB2 ALA 46 HB2 ALA 46 19.848 12.586 -5.227 364 HB3 ALA 46 HB3 ALA 46 19.780 12.559 -3.464 365 H VAL 47 HN VAL 47 19.543 14.768 -2.383 366 HA VAL 47 HA VAL 47 17.621 16.155 -3.921 367 HB VAL 47 HB VAL 47 17.134 15.201 -1.687 368 HG11 VAL 47 HG11 VAL 47 18.697 17.553 -0.630 369 HG12 VAL 47 HG12 VAL 47 19.150 15.853 -0.501 370 HG13 VAL 47 HG13 VAL 47 17.715 16.448 0.333 371 HG21 VAL 47 HG21 VAL 47 16.560 18.142 -1.991 372 HG22 VAL 47 HG22 VAL 47 15.716 17.050 -0.893 373 HG23 VAL 47 HG23 VAL 47 15.607 16.805 -2.633 374 H ALA 48 HN ALA 48 20.493 17.267 -2.166 375 HA ALA 48 HA ALA 48 20.015 20.036 -2.585 376 HB1 ALA 48 HB1 ALA 48 21.600 19.197 -0.899 377 HB2 ALA 48 HB2 ALA 48 22.352 20.354 -1.997 378 HB3 ALA 48 HB3 ALA 48 22.659 18.629 -2.190 379 H ASN 49 HN ASN 49 21.867 17.601 -4.398 380 HA ASN 49 HA ASN 49 22.849 19.313 -6.395 381 HB2 ASN 49 HB2 ASN 49 23.770 17.097 -6.170 382 HB3 ASN 49 HB1 ASN 49 22.201 16.360 -6.477 383 HD21 ASN 49 HD21 ASN 49 24.883 18.090 -7.888 384 HD22 ASN 49 HD22 ASN 49 24.535 17.666 -9.530 385 H GLU 50 HN GLU 50 19.879 17.411 -6.217 386 HA GLU 50 HA GLU 50 18.867 17.970 -8.770 387 HB2 GLU 50 HB2 GLU 50 17.936 16.237 -7.305 388 HB3 GLU 50 HB1 GLU 50 17.397 17.464 -6.170 389 HG2 GLU 50 HG2 GLU 50 15.486 16.845 -7.367 390 HG3 GLU 50 HG1 GLU 50 15.979 18.388 -8.052 391 H LEU 51 HN LEU 51 18.300 19.546 -5.660 392 HA LEU 51 HA LEU 51 16.487 21.443 -6.707 393 HB2 LEU 51 HB2 LEU 51 16.607 20.585 -4.350 394 HB3 LEU 51 HB1 LEU 51 18.027 21.585 -4.121 395 HG LEU 51 HG LEU 51 16.778 23.595 -4.327 396 HD11 LEU 51 HD11 LEU 51 14.425 21.881 -5.120 397 HD12 LEU 51 HD12 LEU 51 15.327 22.966 -6.180 398 HD13 LEU 51 HD13 LEU 51 14.379 23.623 -4.846 399 HD21 LEU 51 HD21 LEU 51 15.191 21.618 -2.697 400 HD22 LEU 51 HD22 LEU 51 15.139 23.373 -2.528 401 HD23 LEU 51 HD23 LEU 51 16.622 22.493 -2.159 402 H MET 52 HN MET 52 19.956 21.557 -5.970 403 HA MET 52 HA MET 52 20.268 24.332 -6.529 404 HB2 MET 52 HB2 MET 52 22.195 22.044 -6.309 405 HB3 MET 52 HB1 MET 52 22.737 23.605 -6.905 406 HG2 MET 52 HG2 MET 52 21.890 24.628 -4.799 407 HG3 MET 52 HG1 MET 52 21.551 23.000 -4.207 408 HE1 MET 52 HE1 MET 52 24.758 24.183 -2.202 409 HE2 MET 52 HE2 MET 52 23.066 23.702 -2.074 410 HE3 MET 52 HE3 MET 52 23.488 25.252 -2.803 411 H ARG 53 HN ARG 53 20.253 21.459 -8.504 412 HA ARG 53 HA ARG 53 21.560 22.453 -10.783 413 HB2 ARG 53 HB2 ARG 53 20.841 20.043 -10.243 414 HB3 ARG 53 HB1 ARG 53 19.270 20.498 -10.883 415 HG2 ARG 53 HG2 ARG 53 20.578 21.235 -12.978 416 HG3 ARG 53 HG1 ARG 53 21.886 20.255 -12.313 417 HD2 ARG 53 HD2 ARG 53 19.125 19.363 -13.118 418 HD3 ARG 53 HD1 ARG 53 20.667 18.866 -13.809 419 HE ARG 53 HE ARG 53 21.099 17.654 -11.741 420 HH11 ARG 53 HH11 ARG 53 17.829 18.713 -12.332 421 HH12 ARG 53 HH12 ARG 53 17.098 17.550 -11.263 422 HH21 ARG 53 HH21 ARG 53 20.153 16.070 -10.351 423 HH22 ARG 53 HH22 ARG 53 18.420 16.028 -10.159 424 H LEU 54 HN LEU 54 18.445 23.090 -9.481 425 HA LEU 54 HA LEU 54 17.230 23.984 -11.922 426 HB2 LEU 54 HB2 LEU 54 16.422 24.452 -9.051 427 HB3 LEU 54 HB1 LEU 54 15.438 24.819 -10.454 428 HG LEU 54 HG LEU 54 16.326 22.056 -9.613 429 HD11 LEU 54 HD11 LEU 54 13.628 23.394 -9.473 430 HD12 LEU 54 HD12 LEU 54 14.663 22.991 -8.103 431 HD13 LEU 54 HD13 LEU 54 13.964 21.707 -9.087 432 HD21 LEU 54 HD21 LEU 54 14.787 21.279 -11.356 433 HD22 LEU 54 HD22 LEU 54 16.106 22.238 -12.029 434 HD23 LEU 54 HD23 LEU 54 14.503 22.949 -11.845 435 H GLY 55 HN GLY 55 19.607 25.275 -10.001 436 HA2 GLY 55 HA2 GLY 55 20.729 27.255 -10.646 437 HA3 GLY 55 HA1 GLY 55 19.219 27.866 -11.303 438 H ASP 56 HN ASP 56 17.459 28.096 -9.513 439 HA ASP 56 HA ASP 56 18.544 30.052 -7.711 440 HB2 ASP 56 HB2 ASP 56 15.732 29.104 -8.251 441 HB3 ASP 56 HB1 ASP 56 16.108 30.311 -7.024 442 H PHE 57 HN PHE 57 19.593 29.330 -6.002 443 HA PHE 57 HA PHE 57 18.082 27.936 -3.956 444 HB2 PHE 57 HB2 PHE 57 19.226 26.148 -5.355 445 HB3 PHE 57 HB1 PHE 57 20.761 26.835 -4.846 446 HD1 PHE 57 HD1 PHE 57 21.008 27.042 -2.188 447 HD2 PHE 57 HD2 PHE 57 18.410 24.352 -4.209 448 HE1 PHE 57 HE1 PHE 57 21.007 25.575 -0.217 449 HE2 PHE 57 HE2 PHE 57 18.394 22.884 -2.235 450 HZ PHE 57 HZ PHE 57 19.694 23.496 -0.236 451 H ASP 58 HN ASP 58 21.538 28.044 -4.166 452 HA ASP 58 HA ASP 58 22.232 30.556 -3.335 453 HB2 ASP 58 HB2 ASP 58 20.849 29.836 -1.243 454 HB3 ASP 58 HB1 ASP 58 22.225 28.795 -0.883 455 H GLN 59 HN GLN 59 24.339 30.587 -3.839 456 HA GLN 59 HA GLN 59 25.610 28.090 -4.436 457 HB2 GLN 59 HB2 GLN 59 26.754 30.881 -4.587 458 HB3 GLN 59 HB1 GLN 59 27.426 29.438 -5.337 459 HG2 GLN 59 HG2 GLN 59 24.800 30.753 -5.996 460 HG3 GLN 59 HG1 GLN 59 26.262 30.761 -6.980 461 HE21 GLN 59 HE21 GLN 59 23.557 29.803 -7.570 462 HE22 GLN 59 HE22 GLN 59 23.735 28.146 -8.032 463 H ILE 60 HN ILE 60 25.987 27.008 -2.573 464 HA ILE 60 HA ILE 60 28.195 27.997 -0.925 465 HB ILE 60 HB ILE 60 27.014 26.971 1.085 466 HG12 ILE 60 HG12 ILE 60 24.660 27.238 -0.800 467 HG13 ILE 60 HG11 ILE 60 25.270 25.755 -0.074 468 HG21 ILE 60 HG21 ILE 60 25.878 29.476 -0.146 469 HG22 ILE 60 HG22 ILE 60 27.326 29.357 0.855 470 HG23 ILE 60 HG23 ILE 60 25.742 29.015 1.551 471 HD11 ILE 60 HD11 ILE 60 24.024 28.053 1.408 472 HD12 ILE 60 HD12 ILE 60 24.620 26.557 2.127 473 HD13 ILE 60 HD13 ILE 60 23.246 26.519 1.021 474 H ASP 61 HN ASP 61 29.070 26.180 0.474 475 HA ASP 61 HA ASP 61 29.289 23.813 -1.218 476 HB2 ASP 61 HB2 ASP 61 30.894 24.578 1.232 477 HB3 ASP 61 HB1 ASP 61 31.244 23.244 0.139 478 H ILE 62 HN ILE 62 27.298 22.815 -0.738 479 HA ILE 62 HA ILE 62 26.836 21.963 2.014 480 HB ILE 62 HB ILE 62 25.242 21.411 -0.501 481 HG12 ILE 62 HG12 ILE 62 24.816 23.325 1.798 482 HG13 ILE 62 HG11 ILE 62 25.097 23.738 0.112 483 HG21 ILE 62 HG21 ILE 62 23.493 20.581 1.021 484 HG22 ILE 62 HG22 ILE 62 24.611 20.750 2.375 485 HG23 ILE 62 HG23 ILE 62 24.955 19.598 1.083 486 HD11 ILE 62 HD11 ILE 62 22.773 24.042 0.701 487 HD12 ILE 62 HD12 ILE 62 22.662 22.363 1.223 488 HD13 ILE 62 HD13 ILE 62 22.942 22.740 -0.477 489 H GLY 63 HN GLY 63 27.811 20.699 -1.106 490 HA2 GLY 63 HA2 GLY 63 27.632 17.954 -0.565 491 HA3 GLY 63 HA1 GLY 63 28.699 18.686 -1.753 492 H VAL 64 HN VAL 64 30.004 20.275 0.434 493 HA VAL 64 HA VAL 64 32.012 18.312 1.063 494 HB VAL 64 HB VAL 64 31.872 21.207 1.917 495 HG11 VAL 64 HG11 VAL 64 34.299 21.002 2.191 496 HG12 VAL 64 HG12 VAL 64 34.193 19.290 1.784 497 HG13 VAL 64 HG13 VAL 64 33.424 19.897 3.251 498 HG21 VAL 64 HG21 VAL 64 33.339 21.676 0.021 499 HG22 VAL 64 HG22 VAL 64 31.794 21.014 -0.514 500 HG23 VAL 64 HG23 VAL 64 33.229 19.990 -0.484 501 H VAL 65 HN VAL 65 29.628 20.219 2.851 502 HA VAL 65 HA VAL 65 30.576 19.484 5.426 503 HB VAL 65 HB VAL 65 27.850 20.554 4.668 504 HG11 VAL 65 HG11 VAL 65 29.319 20.546 7.301 505 HG12 VAL 65 HG12 VAL 65 27.858 19.639 6.906 506 HG13 VAL 65 HG13 VAL 65 27.810 21.400 6.982 507 HG21 VAL 65 HG21 VAL 65 29.618 22.011 3.859 508 HG22 VAL 65 HG22 VAL 65 30.364 22.022 5.456 509 HG23 VAL 65 HG23 VAL 65 28.778 22.757 5.218 510 H ILE 66 HN ILE 66 28.272 18.075 3.202 511 HA ILE 66 HA ILE 66 27.133 16.311 5.175 512 HB ILE 66 HB ILE 66 25.966 15.253 3.290 513 HG12 ILE 66 HG12 ILE 66 27.557 17.216 1.618 514 HG13 ILE 66 HG11 ILE 66 27.694 15.461 1.578 515 HG21 ILE 66 HG21 ILE 66 24.623 17.202 2.657 516 HG22 ILE 66 HG22 ILE 66 25.886 18.265 3.276 517 HG23 ILE 66 HG23 ILE 66 25.009 17.205 4.378 518 HD11 ILE 66 HD11 ILE 66 25.432 15.291 0.714 519 HD12 ILE 66 HD12 ILE 66 26.430 16.317 -0.316 520 HD13 ILE 66 HD13 ILE 66 25.263 17.045 0.787 521 H THR 67 HN THR 67 29.836 16.227 3.028 522 HA THR 67 HA THR 67 30.104 13.336 3.346 523 HB THR 67 HB THR 67 32.104 13.635 1.823 524 HG1 THR 67 HG1 THR 67 31.061 16.113 1.037 525 HG21 THR 67 HG21 THR 67 29.932 12.871 0.984 526 HG22 THR 67 HG22 THR 67 30.732 13.907 -0.197 527 HG23 THR 67 HG23 THR 67 29.412 14.545 0.784 528 H HIS 68 HN HIS 68 31.250 16.295 4.590 529 HA HIS 68 HA HIS 68 32.758 14.854 6.600 530 HB2 HIS 68 HB2 HIS 68 34.487 15.442 4.942 531 HB3 HIS 68 HB1 HIS 68 33.992 17.131 5.021 532 HD1 HIS 68 HD1 HIS 68 35.164 18.549 6.727 533 HD2 HIS 68 HD2 HIS 68 35.585 14.474 7.482 534 HE1 HIS 68 HE1 HIS 68 36.722 18.374 8.696 535 HE2 HIS 68 HE2 HIS 68 36.921 15.907 9.175 536 H PHE 69 HN PHE 69 31.270 15.430 8.100 537 HA PHE 69 HA PHE 69 30.058 17.958 8.302 538 HB2 PHE 69 HB2 PHE 69 30.376 15.696 10.271 539 HB3 PHE 69 HB1 PHE 69 29.504 17.174 10.669 540 HD1 PHE 69 HD1 PHE 69 29.521 14.181 8.524 541 HD2 PHE 69 HD2 PHE 69 27.331 17.594 9.814 542 HE1 PHE 69 HE1 PHE 69 27.483 13.256 7.503 543 HE2 PHE 69 HE2 PHE 69 25.292 16.675 8.797 544 HZ PHE 69 HZ PHE 69 25.363 14.504 7.638 545 H THR 70 HN THR 70 30.676 19.798 9.185 546 HA THR 70 HA THR 70 33.289 20.147 10.245 547 HB THR 70 HB THR 70 32.257 22.476 10.848 548 HG1 THR 70 HG1 THR 70 30.054 21.573 10.493 549 HG21 THR 70 HG21 THR 70 32.495 21.529 7.989 550 HG22 THR 70 HG22 THR 70 33.816 22.103 9.005 551 HG23 THR 70 HG23 THR 70 32.532 23.211 8.520 552 H ASP 71 HN ASP 71 33.306 21.629 12.427 553 HA ASP 71 HA ASP 71 32.345 19.681 14.384 554 HB2 ASP 71 HB2 ASP 71 34.450 21.836 14.564 555 HB3 ASP 71 HB1 ASP 71 33.943 20.857 15.937 556 H GLU 72 HN GLU 72 32.352 23.211 13.910 557 HA GLU 72 HA GLU 72 30.489 23.463 16.154 558 HB2 GLU 72 HB2 GLU 72 32.517 24.956 15.927 559 HB3 GLU 72 HB1 GLU 72 31.734 25.684 14.530 560 HG2 GLU 72 HG2 GLU 72 31.427 27.022 16.547 561 HG3 GLU 72 HG1 GLU 72 29.890 26.425 15.920 562 H LEU 73 HN LEU 73 30.293 22.900 12.944 563 HA LEU 73 HA LEU 73 27.685 24.242 12.718 564 HB2 LEU 73 HB2 LEU 73 29.724 25.262 11.426 565 HB3 LEU 73 HB1 LEU 73 29.500 23.898 10.351 566 HG LEU 73 HG LEU 73 27.191 24.658 9.896 567 HD11 LEU 73 HD11 LEU 73 26.752 25.828 11.982 568 HD12 LEU 73 HD12 LEU 73 26.517 26.906 10.607 569 HD13 LEU 73 HD13 LEU 73 27.980 27.031 11.585 570 HD21 LEU 73 HD21 LEU 73 27.812 26.605 8.550 571 HD22 LEU 73 HD22 LEU 73 29.016 25.324 8.424 572 HD23 LEU 73 HD23 LEU 73 29.331 26.733 9.436 573 HA PRO 74 HA PRO 74 25.982 24.156 11.053 574 HB2 PRO 74 HB2 PRO 74 23.541 23.056 11.427 575 HB3 PRO 74 HB1 PRO 74 24.413 22.935 9.889 576 HG2 PRO 74 HG2 PRO 74 24.180 20.925 12.097 577 HG3 PRO 74 HG1 PRO 74 24.058 20.687 10.341 578 HD2 PRO 74 HD2 PRO 74 26.311 20.131 11.746 579 HD3 PRO 74 HD1 PRO 74 26.340 20.675 10.058 580 H SER 75 HN SER 75 24.328 25.251 12.437 581 HA SER 75 HA SER 75 25.197 24.953 15.204 582 HB2 SER 75 HB2 SER 75 23.922 27.287 15.252 583 HB3 SER 75 HB1 SER 75 25.573 27.140 14.653 584 HG SER 75 HG SER 75 23.442 28.020 13.351 585 HA PRO 76 HA PRO 76 21.542 23.039 16.683 586 HB2 PRO 76 HB2 PRO 76 21.985 24.785 19.055 587 HB3 PRO 76 HB1 PRO 76 21.764 23.034 18.971 588 HG2 PRO 76 HG2 PRO 76 24.173 24.065 19.377 589 HG3 PRO 76 HG1 PRO 76 23.959 22.658 18.317 590 HD2 PRO 76 HD2 PRO 76 24.435 25.520 17.604 591 HD3 PRO 76 HD1 PRO 76 25.046 24.047 16.826 592 H GLU 77 HN GLU 77 21.765 26.563 17.243 593 HA GLU 77 HA GLU 77 18.993 26.873 17.729 594 HB2 GLU 77 HB2 GLU 77 21.019 28.909 16.789 595 HB3 GLU 77 HB1 GLU 77 19.399 29.287 17.358 596 HG2 GLU 77 HG2 GLU 77 19.969 28.284 19.538 597 HG3 GLU 77 HG1 GLU 77 21.611 28.025 18.954 598 H ASP 78 HN ASP 78 20.946 26.994 14.813 599 HA ASP 78 HA ASP 78 18.847 27.985 13.153 600 HB2 ASP 78 HB2 ASP 78 21.475 26.669 12.461 601 HB3 ASP 78 HB1 ASP 78 20.366 27.347 11.270 602 H VAL 79 HN VAL 79 20.146 24.724 13.808 603 HA VAL 79 HA VAL 79 18.460 23.423 11.943 604 HB VAL 79 HB VAL 79 18.838 21.348 13.240 605 HG11 VAL 79 HG11 VAL 79 21.306 22.971 12.637 606 HG12 VAL 79 HG12 VAL 79 20.392 21.993 11.491 607 HG13 VAL 79 HG13 VAL 79 21.255 21.218 12.818 608 HG21 VAL 79 HG21 VAL 79 20.445 23.114 15.067 609 HG22 VAL 79 HG22 VAL 79 20.435 21.351 15.092 610 HG23 VAL 79 HG23 VAL 79 18.967 22.247 15.480 611 H GLU 80 HN GLU 80 18.060 24.125 15.373 612 HA GLU 80 HA GLU 80 15.512 23.067 15.760 613 HB2 GLU 80 HB2 GLU 80 16.942 24.032 17.545 614 HB3 GLU 80 HB1 GLU 80 16.627 25.637 16.904 615 HG2 GLU 80 HG2 GLU 80 14.235 25.337 17.386 616 HG3 GLU 80 HG1 GLU 80 14.596 23.759 18.087 617 H ARG 81 HN ARG 81 16.484 26.263 14.581 618 HA ARG 81 HA ARG 81 13.958 27.359 14.177 619 HB2 ARG 81 HB2 ARG 81 15.859 28.784 14.076 620 HB3 ARG 81 HB1 ARG 81 16.583 27.840 12.780 621 HG2 ARG 81 HG2 ARG 81 14.942 28.596 11.216 622 HG3 ARG 81 HG1 ARG 81 14.011 29.375 12.497 623 HD2 ARG 81 HD2 ARG 81 16.815 30.128 11.686 624 HD3 ARG 81 HD1 ARG 81 15.351 30.973 11.179 625 HE ARG 81 HE ARG 81 14.986 31.300 13.673 626 HH11 ARG 81 HH11 ARG 81 18.157 31.090 12.192 627 HH12 ARG 81 HH12 ARG 81 18.935 32.029 13.437 628 HH21 ARG 81 HH21 ARG 81 15.984 32.552 15.286 629 HH22 ARG 81 HH22 ARG 81 17.705 32.837 15.216 630 H VAL 82 HN VAL 82 16.041 25.701 11.775 631 HA VAL 82 HA VAL 82 14.192 25.929 9.671 632 HB VAL 82 HB VAL 82 16.688 25.285 9.560 633 HG11 VAL 82 HG11 VAL 82 16.631 23.319 10.970 634 HG12 VAL 82 HG12 VAL 82 17.140 22.886 9.338 635 HG13 VAL 82 HG13 VAL 82 15.494 22.536 9.872 636 HG21 VAL 82 HG21 VAL 82 16.368 24.149 7.413 637 HG22 VAL 82 HG22 VAL 82 15.290 25.531 7.603 638 HG23 VAL 82 HG23 VAL 82 14.670 23.893 7.811 639 H ARG 83 HN ARG 83 14.582 23.509 12.191 640 HA ARG 83 HA ARG 83 12.775 21.593 11.203 641 HB2 ARG 83 HB2 ARG 83 14.354 21.186 13.060 642 HB3 ARG 83 HB1 ARG 83 13.455 22.302 14.072 643 HG2 ARG 83 HG2 ARG 83 12.086 19.917 12.913 644 HG3 ARG 83 HG1 ARG 83 13.128 19.740 14.325 645 HD2 ARG 83 HD2 ARG 83 10.680 21.480 14.064 646 HD3 ARG 83 HD1 ARG 83 10.867 20.044 15.070 647 HE ARG 83 HE ARG 83 12.695 22.236 15.610 648 HH11 ARG 83 HH11 ARG 83 9.785 20.516 16.518 649 HH12 ARG 83 HH12 ARG 83 9.648 21.305 18.065 650 HH21 ARG 83 HH21 ARG 83 12.532 23.256 17.640 651 HH22 ARG 83 HH22 ARG 83 11.224 22.855 18.711 652 H ALA 84 HN ALA 84 12.299 24.388 13.358 653 HA ALA 84 HA ALA 84 9.485 24.067 13.592 654 HB1 ALA 84 HB1 ALA 84 9.483 26.354 14.441 655 HB2 ALA 84 HB2 ALA 84 11.138 26.574 13.878 656 HB3 ALA 84 HB3 ALA 84 10.791 25.417 15.161 657 H ARG 85 HN ARG 85 11.525 25.915 11.390 658 HA ARG 85 HA ARG 85 9.580 27.400 10.058 659 HB2 ARG 85 HB2 ARG 85 12.251 26.318 9.182 660 HB3 ARG 85 HB1 ARG 85 11.271 27.335 8.137 661 HG2 ARG 85 HG2 ARG 85 11.935 28.268 10.890 662 HG3 ARG 85 HG1 ARG 85 13.142 28.378 9.609 663 HD2 ARG 85 HD2 ARG 85 11.628 29.691 8.253 664 HD3 ARG 85 HD1 ARG 85 10.357 29.517 9.461 665 HE ARG 85 HE ARG 85 11.359 31.149 10.735 666 HH11 ARG 85 HH11 ARG 85 13.641 30.119 8.268 667 HH12 ARG 85 HH12 ARG 85 14.658 31.518 8.464 668 HH21 ARG 85 HH21 ARG 85 12.689 32.974 10.972 669 HH22 ARG 85 HH22 ARG 85 14.102 33.149 9.973 670 H LEU 86 HN LEU 86 10.980 24.263 9.108 671 HA LEU 86 HA LEU 86 9.340 24.018 6.796 672 HB2 LEU 86 HB2 LEU 86 11.227 22.234 8.257 673 HB3 LEU 86 HB1 LEU 86 10.137 21.518 7.089 674 HG LEU 86 HG LEU 86 12.394 22.029 6.181 675 HD11 LEU 86 HD11 LEU 86 10.477 21.839 4.692 676 HD12 LEU 86 HD12 LEU 86 11.600 23.069 4.111 677 HD13 LEU 86 HD13 LEU 86 10.111 23.547 4.925 678 HD21 LEU 86 HD21 LEU 86 12.845 24.080 7.416 679 HD22 LEU 86 HD22 LEU 86 11.549 24.899 6.546 680 HD23 LEU 86 HD23 LEU 86 12.979 24.344 5.677 681 H ALA 87 HN ALA 87 8.918 23.149 10.125 682 HA ALA 87 HA ALA 87 7.038 21.088 9.877 683 HB1 ALA 87 HB1 ALA 87 8.185 21.621 11.970 684 HB2 ALA 87 HB2 ALA 87 6.434 21.572 12.180 685 HB3 ALA 87 HB3 ALA 87 7.268 23.123 12.083 686 H ALA 88 HN ALA 88 6.702 24.508 9.443 687 HA ALA 88 HA ALA 88 3.881 24.652 9.838 688 HB1 ALA 88 HB1 ALA 88 5.322 26.627 10.013 689 HB2 ALA 88 HB2 ALA 88 4.044 26.862 8.821 690 HB3 ALA 88 HB3 ALA 88 5.689 26.509 8.291 691 H GLN 89 HN GLN 89 5.926 23.743 7.187 692 HA GLN 89 HA GLN 89 3.763 23.891 5.242 693 HB2 GLN 89 HB2 GLN 89 6.660 23.069 5.047 694 HB3 GLN 89 HB1 GLN 89 5.535 22.846 3.719 695 HG2 GLN 89 HG2 GLN 89 6.857 24.852 3.412 696 HG3 GLN 89 HG1 GLN 89 5.154 25.252 3.624 697 HE21 GLN 89 HE21 GLN 89 8.303 25.270 5.132 698 HE22 GLN 89 HE22 GLN 89 7.936 26.451 6.337 699 H GLY 90 HN GLY 90 5.491 21.576 7.178 700 HA2 GLY 90 HA2 GLY 90 3.730 19.645 7.547 701 HA3 GLY 90 HA1 GLY 90 4.185 19.316 5.879 702 H TRP 91 HN TRP 91 4.672 17.307 7.524 703 HA TRP 91 HA TRP 91 7.583 17.332 7.697 704 HB2 TRP 91 HB2 TRP 91 6.439 17.942 9.965 705 HB3 TRP 91 HB1 TRP 91 6.050 16.225 10.029 706 HD1 TRP 91 HD1 TRP 91 8.001 14.561 10.641 707 HE1 TRP 91 HE1 TRP 91 10.438 14.906 11.405 708 HE3 TRP 91 HE3 TRP 91 8.476 19.540 9.596 709 HZ2 TRP 91 HZ2 TRP 91 12.316 17.023 11.536 710 HZ3 TRP 91 HZ3 TRP 91 10.621 20.648 10.066 711 HH2 TRP 91 HH2 TRP 91 12.494 19.413 11.015 712 HA PRO 92 HA PRO 92 6.043 13.393 5.999 713 HB2 PRO 92 HB2 PRO 92 7.972 13.493 3.940 714 HB3 PRO 92 HB1 PRO 92 6.262 13.898 3.810 715 HG2 PRO 92 HG2 PRO 92 8.427 15.679 3.581 716 HG3 PRO 92 HG1 PRO 92 6.715 16.112 3.739 717 HD2 PRO 92 HD2 PRO 92 8.868 16.084 5.785 718 HD3 PRO 92 HD1 PRO 92 7.423 17.110 5.670 719 H LEU 93 HN LEU 93 8.620 14.252 7.726 720 HA LEU 93 HA LEU 93 10.315 11.954 7.148 721 HB2 LEU 93 HB2 LEU 93 10.614 14.068 9.284 722 HB3 LEU 93 HB1 LEU 93 11.821 12.885 8.821 723 HG LEU 93 HG LEU 93 10.838 15.213 7.173 724 HD11 LEU 93 HD11 LEU 93 13.523 14.571 8.381 725 HD12 LEU 93 HD12 LEU 93 12.400 15.815 8.930 726 HD13 LEU 93 HD13 LEU 93 13.164 15.955 7.348 727 HD21 LEU 93 HD21 LEU 93 12.839 13.084 6.426 728 HD22 LEU 93 HD22 LEU 93 12.440 14.517 5.478 729 HD23 LEU 93 HD23 LEU 93 11.225 13.265 5.737 730 H ASP 94 HN ASP 94 7.698 11.364 8.041 731 HA ASP 94 HA ASP 94 8.134 10.429 10.779 732 HB2 ASP 94 HB2 ASP 94 5.703 10.291 10.977 733 HB3 ASP 94 HB1 ASP 94 6.182 11.913 10.493 734 H ASP 95 HN ASP 95 6.414 8.453 10.994 735 HA ASP 95 HA ASP 95 7.170 6.488 8.940 736 HB2 ASP 95 HB2 ASP 95 7.242 5.993 11.928 737 HB3 ASP 95 HB1 ASP 95 7.650 4.834 10.669 738 H VAL 96 HN VAL 96 5.648 4.893 8.530 739 HA VAL 96 HA VAL 96 2.995 5.393 9.582 740 HB VAL 96 HB VAL 96 3.142 4.940 7.211 741 HG11 VAL 96 HG11 VAL 96 5.162 3.586 7.166 742 HG12 VAL 96 HG12 VAL 96 3.842 2.772 6.324 743 HG13 VAL 96 HG13 VAL 96 4.303 2.258 7.948 744 HG21 VAL 96 HG21 VAL 96 1.513 3.124 7.015 745 HG22 VAL 96 HG22 VAL 96 1.127 4.203 8.355 746 HG23 VAL 96 HG23 VAL 96 1.865 2.633 8.672 747 H ARG 97 HN ARG 97 2.161 4.404 11.260 748 HA ARG 97 HA ARG 97 3.635 2.237 12.518 749 HB2 ARG 97 HB2 ARG 97 1.201 3.790 13.406 750 HB3 ARG 97 HB1 ARG 97 1.975 2.535 14.358 751 HG2 ARG 97 HG2 ARG 97 3.282 5.101 13.484 752 HG3 ARG 97 HG1 ARG 97 2.589 4.796 15.077 753 HD2 ARG 97 HD2 ARG 97 4.194 2.788 15.160 754 HD3 ARG 97 HD1 ARG 97 5.018 3.567 13.808 755 HE ARG 97 HE ARG 97 4.581 4.961 16.374 756 HH11 ARG 97 HH11 ARG 97 6.740 3.856 13.841 757 HH12 ARG 97 HH12 ARG 97 8.092 4.780 14.426 758 HH21 ARG 97 HH21 ARG 97 6.340 6.123 17.160 759 HH22 ARG 97 HH22 ARG 97 7.874 6.054 16.337 760 H ASP 98 HN ASP 98 3.226 0.240 11.716 761 HA ASP 98 HA ASP 98 0.461 -0.551 11.234 762 HB2 ASP 98 HB2 ASP 98 2.221 -1.473 9.758 763 HB3 ASP 98 HB1 ASP 98 2.992 -2.217 11.154 764 H ARG 99 HN ARG 99 -0.684 -1.970 12.590 765 HA ARG 99 HA ARG 99 0.503 -2.324 15.241 766 HB2 ARG 99 HB2 ARG 99 -2.240 -1.182 14.658 767 HB3 ARG 99 HB1 ARG 99 -1.681 -1.670 16.252 768 HG2 ARG 99 HG2 ARG 99 0.198 0.007 15.952 769 HG3 ARG 99 HG1 ARG 99 -0.704 0.608 14.558 770 HD2 ARG 99 HD2 ARG 99 -1.205 1.914 16.560 771 HD3 ARG 99 HD1 ARG 99 -2.634 1.049 15.992 772 HE ARG 99 HE ARG 99 -1.245 -0.489 17.931 773 HH11 ARG 99 HH11 ARG 99 -3.306 2.330 17.641 774 HH12 ARG 99 HH12 ARG 99 -3.974 2.173 19.238 775 HH21 ARG 99 HH21 ARG 99 -2.145 -0.730 20.020 776 HH22 ARG 99 HH22 ARG 99 -3.342 0.412 20.583 777 H GLU 100 HN GLU 100 0.637 -4.447 15.342 778 HA GLU 100 HA GLU 100 -1.012 -6.106 13.755 779 HB2 GLU 100 HB2 GLU 100 0.769 -6.934 16.046 780 HB3 GLU 100 HB1 GLU 100 0.185 -7.965 14.749 781 HG2 GLU 100 HG2 GLU 100 1.474 -6.599 13.141 782 HG3 GLU 100 HG1 GLU 100 2.124 -5.680 14.499 783 H GLU 101 HN GLU 101 -1.036 -5.063 17.047 784 HA GLU 101 HA GLU 101 -3.339 -6.804 17.607 785 HB2 GLU 101 HB2 GLU 101 -1.333 -5.752 19.605 786 HB3 GLU 101 HB1 GLU 101 -2.584 -6.961 19.883 787 HG2 GLU 101 HG2 GLU 101 -0.318 -7.321 17.937 788 HG3 GLU 101 HG1 GLU 101 -0.265 -7.875 19.619 789 H HIS 102 HN HIS 102 -5.133 -5.861 18.480 790 HA HIS 102 HA HIS 102 -5.235 -2.979 18.144 791 HB2 HIS 102 HB2 HIS 102 -6.946 -4.503 17.144 792 HB3 HIS 102 HB1 HIS 102 -7.483 -4.898 18.772 793 HD1 HIS 102 HD1 HIS 102 -8.799 -3.048 20.070 794 HD2 HIS 102 HD2 HIS 102 -7.773 -2.050 16.163 795 HE1 HIS 102 HE1 HIS 102 -10.161 -1.009 19.509 796 HE2 HIS 102 HE2 HIS 102 -9.690 -0.572 17.070 797 H ALA 103 HN ALA 103 -4.613 -1.824 19.845 798 HA ALA 103 HA ALA 103 -6.000 -2.335 22.380 799 HB1 ALA 103 HB1 ALA 103 -3.680 -3.061 22.645 800 HB2 ALA 103 HB2 ALA 103 -4.008 -1.628 23.621 801 HB3 ALA 103 HB3 ALA 103 -3.116 -1.479 22.106 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 4.110 0.291 -1.999 2 H2 GLY 1 HT2 GLY 1 4.578 -1.219 -2.616 3 H3 GLY 1 HT3 GLY 1 4.645 0.161 -3.604 4 HA2 GLY 1 HA1 GLY 1 6.290 -0.314 -1.180 5 HA3 GLY 1 HA2 GLY 1 6.850 -0.475 -2.838 6 H SER 2 HN SER 2 8.153 1.208 -1.115 7 HA SER 2 HA SER 2 7.174 3.904 -1.525 8 HB2 SER 2 HB2 SER 2 9.856 3.056 -0.412 9 HB3 SER 2 HB1 SER 2 9.037 4.601 -0.182 10 HG SER 2 HG SER 2 7.621 3.679 1.193 11 H HIS 3 HN HIS 3 7.213 4.254 -3.733 12 HA HIS 3 HA HIS 3 9.475 3.577 -5.345 13 HB2 HIS 3 HB2 HIS 3 7.060 3.790 -6.133 14 HB3 HIS 3 HB1 HIS 3 7.296 5.534 -6.080 15 HD1 HIS 3 HD1 HIS 3 9.057 2.545 -7.676 16 HD2 HIS 3 HD2 HIS 3 8.083 6.513 -8.475 17 HE1 HIS 3 HE1 HIS 3 9.864 2.987 -10.016 18 HE2 HIS 3 HE2 HIS 3 9.129 5.340 -10.537 19 H MET 4 HN MET 4 11.253 4.685 -5.700 20 HA MET 4 HA MET 4 12.089 6.671 -3.992 21 HB2 MET 4 HB2 MET 4 13.196 6.099 -6.745 22 HB3 MET 4 HB1 MET 4 14.036 6.940 -5.451 23 HG2 MET 4 HG2 MET 4 14.881 4.743 -5.491 24 HG3 MET 4 HG1 MET 4 13.824 4.849 -4.086 25 HE1 MET 4 HE1 MET 4 13.292 1.148 -5.175 26 HE2 MET 4 HE2 MET 4 13.685 2.241 -3.848 27 HE3 MET 4 HE3 MET 4 14.794 2.071 -5.208 28 H ASN 5 HN ASN 5 11.013 7.075 -7.356 29 HA ASN 5 HA ASN 5 11.684 9.731 -7.707 30 HB2 ASN 5 HB2 ASN 5 9.350 8.198 -8.862 31 HB3 ASN 5 HB1 ASN 5 9.848 9.791 -9.416 32 HD21 ASN 5 HD21 ASN 5 11.734 10.009 -10.593 33 HD22 ASN 5 HD22 ASN 5 12.541 8.651 -11.296 34 H ARG 6 HN ARG 6 8.623 8.425 -6.442 35 HA ARG 6 HA ARG 6 7.409 10.999 -6.332 36 HB2 ARG 6 HB2 ARG 6 6.518 8.516 -4.866 37 HB3 ARG 6 HB1 ARG 6 5.539 9.918 -5.280 38 HG2 ARG 6 HG2 ARG 6 6.151 9.317 -7.724 39 HG3 ARG 6 HG1 ARG 6 6.556 7.739 -7.047 40 HD2 ARG 6 HD2 ARG 6 4.315 7.572 -7.753 41 HD3 ARG 6 HD1 ARG 6 4.247 7.755 -6.001 42 HE ARG 6 HE ARG 6 4.027 10.302 -6.905 43 HH11 ARG 6 HH11 ARG 6 2.294 7.343 -7.614 44 HH12 ARG 6 HH12 ARG 6 0.809 8.159 -7.993 45 HH21 ARG 6 HH21 ARG 6 2.087 11.375 -7.438 46 HH22 ARG 6 HH22 ARG 6 0.695 10.443 -7.898 47 H PHE 7 HN PHE 7 9.034 8.931 -3.989 48 HA PHE 7 HA PHE 7 8.405 10.485 -1.708 49 HB2 PHE 7 HB2 PHE 7 9.179 8.153 -1.550 50 HB3 PHE 7 HB1 PHE 7 10.753 8.631 -2.178 51 HD1 PHE 7 HD2 PHE 7 8.416 9.197 0.650 52 HD2 PHE 7 HD1 PHE 7 12.439 9.329 -0.733 53 HE1 PHE 7 HE2 PHE 7 9.185 9.651 2.943 54 HE2 PHE 7 HE1 PHE 7 13.215 9.784 1.557 55 HZ PHE 7 HZ PHE 7 11.588 9.945 3.399 56 H LEU 8 HN LEU 8 11.295 10.365 -3.783 57 HA LEU 8 HA LEU 8 12.734 12.340 -2.392 58 HB2 LEU 8 HB2 LEU 8 12.930 11.468 -5.273 59 HB3 LEU 8 HB1 LEU 8 14.092 12.505 -4.469 60 HG LEU 8 HG LEU 8 13.475 9.649 -3.710 61 HD11 LEU 8 HD11 LEU 8 15.883 10.859 -5.059 62 HD12 LEU 8 HD12 LEU 8 14.684 9.809 -5.815 63 HD13 LEU 8 HD13 LEU 8 15.727 9.182 -4.538 64 HD21 LEU 8 HD21 LEU 8 15.387 9.869 -2.197 65 HD22 LEU 8 HD22 LEU 8 14.096 10.992 -1.774 66 HD23 LEU 8 HD23 LEU 8 15.528 11.575 -2.624 67 H THR 9 HN THR 9 10.605 12.574 -5.236 68 HA THR 9 HA THR 9 11.000 15.340 -5.640 69 HB THR 9 HB THR 9 8.650 13.602 -6.420 70 HG1 THR 9 HG1 THR 9 11.202 13.886 -7.349 71 HG21 THR 9 HG21 THR 9 9.465 16.326 -7.447 72 HG22 THR 9 HG22 THR 9 8.043 15.978 -6.464 73 HG23 THR 9 HG23 THR 9 8.168 15.325 -8.097 74 H SER 10 HN SER 10 8.751 13.534 -3.605 75 HA SER 10 HA SER 10 7.154 15.707 -2.791 76 HB2 SER 10 HB2 SER 10 6.563 13.334 -2.367 77 HB3 SER 10 HB1 SER 10 7.890 13.222 -1.213 78 HG SER 10 HG SER 10 5.439 14.590 -1.007 79 H ILE 11 HN ILE 11 10.136 14.317 -1.453 80 HA ILE 11 HA ILE 11 10.457 16.091 0.696 81 HB ILE 11 HB ILE 11 12.595 14.717 -0.946 82 HG12 ILE 11 HG12 ILE 11 11.033 13.138 0.068 83 HG13 ILE 11 HG11 ILE 11 12.594 13.054 0.878 84 HG21 ILE 11 HG21 ILE 11 12.780 15.978 1.787 85 HG22 ILE 11 HG22 ILE 11 13.533 16.576 0.309 86 HG23 ILE 11 HG23 ILE 11 14.049 15.038 1.002 87 HD11 ILE 11 HD11 ILE 11 10.148 14.486 1.897 88 HD12 ILE 11 HD12 ILE 11 11.712 14.408 2.708 89 HD13 ILE 11 HD13 ILE 11 10.768 12.937 2.470 90 H VAL 12 HN VAL 12 11.679 16.273 -2.638 91 HA VAL 12 HA VAL 12 13.040 18.685 -2.514 92 HB VAL 12 HB VAL 12 11.441 17.534 -4.809 93 HG11 VAL 12 HG11 VAL 12 12.754 19.002 -6.269 94 HG12 VAL 12 HG12 VAL 12 13.472 19.765 -4.850 95 HG13 VAL 12 HG13 VAL 12 11.743 19.924 -5.156 96 HG21 VAL 12 HG21 VAL 12 13.637 16.817 -5.639 97 HG22 VAL 12 HG22 VAL 12 13.264 16.109 -4.069 98 HG23 VAL 12 HG23 VAL 12 14.390 17.462 -4.181 99 H ALA 13 HN ALA 13 9.592 18.144 -3.218 100 HA ALA 13 HA ALA 13 8.888 20.839 -3.595 101 HB1 ALA 13 HB1 ALA 13 6.590 20.110 -3.237 102 HB2 ALA 13 HB2 ALA 13 7.168 18.583 -2.567 103 HB3 ALA 13 HB3 ALA 13 7.457 18.968 -4.263 104 H TRP 14 HN TRP 14 8.901 18.810 -0.707 105 HA TRP 14 HA TRP 14 7.856 20.685 1.103 106 HB2 TRP 14 HB2 TRP 14 7.918 18.408 1.753 107 HB3 TRP 14 HB1 TRP 14 9.631 18.267 1.396 108 HD1 TRP 14 HD1 TRP 14 7.703 20.650 3.803 109 HE1 TRP 14 HE1 TRP 14 8.835 20.503 6.111 110 HE3 TRP 14 HE3 TRP 14 11.280 17.187 2.702 111 HZ2 TRP 14 HZ2 TRP 14 10.988 19.092 7.299 112 HZ3 TRP 14 HZ3 TRP 14 12.837 16.487 4.470 113 HH2 TRP 14 HH2 TRP 14 12.694 17.415 6.720 114 H LEU 15 HN LEU 15 11.221 19.896 0.258 115 HA LEU 15 HA LEU 15 12.453 21.665 2.047 116 HB2 LEU 15 HB2 LEU 15 13.447 20.696 -0.631 117 HB3 LEU 15 HB1 LEU 15 14.435 21.476 0.589 118 HG LEU 15 HG LEU 15 13.102 18.778 0.786 119 HD11 LEU 15 HD11 LEU 15 15.134 18.808 -0.541 120 HD12 LEU 15 HD12 LEU 15 15.407 17.976 0.990 121 HD13 LEU 15 HD13 LEU 15 15.996 19.623 0.764 122 HD21 LEU 15 HD21 LEU 15 12.939 19.896 2.933 123 HD22 LEU 15 HD22 LEU 15 14.653 20.314 2.870 124 HD23 LEU 15 HD23 LEU 15 14.161 18.625 3.003 125 H ARG 16 HN ARG 16 11.520 22.135 -1.358 126 HA ARG 16 HA ARG 16 12.572 24.768 -1.485 127 HB2 ARG 16 HB2 ARG 16 11.501 24.972 -3.608 128 HB3 ARG 16 HB1 ARG 16 12.111 23.330 -3.481 129 HG2 ARG 16 HG2 ARG 16 9.865 22.537 -2.949 130 HG3 ARG 16 HG1 ARG 16 9.254 24.189 -3.068 131 HD2 ARG 16 HD2 ARG 16 10.501 22.561 -5.278 132 HD3 ARG 16 HD1 ARG 16 8.798 22.986 -5.118 133 HE ARG 16 HE ARG 16 10.893 25.041 -5.485 134 HH11 ARG 16 HH11 ARG 16 7.772 23.656 -6.280 135 HH12 ARG 16 HH12 ARG 16 7.424 24.820 -7.525 136 HH21 ARG 16 HH21 ARG 16 10.429 26.595 -7.106 137 HH22 ARG 16 HH22 ARG 16 8.942 26.485 -7.997 138 H ALA 17 HN ALA 17 9.393 23.460 -0.667 139 HA ALA 17 HA ALA 17 8.030 25.934 -0.511 140 HB1 ALA 17 HB1 ALA 17 6.382 24.735 0.832 141 HB2 ALA 17 HB2 ALA 17 7.504 23.389 1.025 142 HB3 ALA 17 HB3 ALA 17 6.862 23.780 -0.571 143 H GLY 18 HN GLY 18 10.108 24.182 1.685 144 HA2 GLY 18 HA2 GLY 18 9.692 25.757 3.988 145 HA3 GLY 18 HA1 GLY 18 11.136 24.821 3.630 146 H TYR 19 HN TYR 19 11.647 26.300 1.112 147 HA TYR 19 HA TYR 19 12.220 28.991 2.061 148 HB2 TYR 19 HB2 TYR 19 14.359 26.952 1.494 149 HB3 TYR 19 HB1 TYR 19 14.668 28.669 1.258 150 HD1 TYR 19 HD2 TYR 19 14.568 30.212 3.188 151 HD2 TYR 19 HD1 TYR 19 14.295 25.998 3.694 152 HE1 TYR 19 HE2 TYR 19 15.082 30.477 5.574 153 HE2 TYR 19 HE1 TYR 19 14.792 26.247 6.092 154 HH TYR 19 HH TYR 19 16.117 28.189 7.527 155 HA PRO 20 HA PRO 20 11.046 28.696 -2.392 156 HB2 PRO 20 HB2 PRO 20 9.431 30.878 -2.374 157 HB3 PRO 20 HB1 PRO 20 8.880 29.270 -1.891 158 HG2 PRO 20 HG2 PRO 20 9.741 31.572 -0.182 159 HG3 PRO 20 HG1 PRO 20 8.372 30.467 0.036 160 HD2 PRO 20 HD2 PRO 20 10.695 30.202 1.402 161 HD3 PRO 20 HD1 PRO 20 9.691 28.812 0.946 162 H GLU 21 HN GLU 21 12.461 31.157 -0.425 163 HA GLU 21 HA GLU 21 13.204 32.763 -2.725 164 HB2 GLU 21 HB2 GLU 21 13.902 34.436 -1.262 165 HB3 GLU 21 HB1 GLU 21 12.312 33.872 -0.770 166 HG2 GLU 21 HG2 GLU 21 14.791 32.788 0.456 167 HG3 GLU 21 HG1 GLU 21 14.070 34.297 0.933 168 H GLY 22 HN GLY 22 14.320 30.064 -1.439 169 HA2 GLY 22 HA2 GLY 22 16.352 29.111 -2.277 170 HA3 GLY 22 HA1 GLY 22 17.076 30.712 -2.237 171 H ILE 23 HN ILE 23 17.526 27.909 -0.919 172 HA ILE 23 HA ILE 23 17.431 28.452 1.888 173 HB ILE 23 HB ILE 23 18.996 26.320 0.422 174 HG12 ILE 23 HG12 ILE 23 16.275 26.155 1.740 175 HG13 ILE 23 HG11 ILE 23 16.546 26.243 0.003 176 HG21 ILE 23 HG21 ILE 23 19.830 26.703 2.676 177 HG22 ILE 23 HG22 ILE 23 18.994 25.153 2.583 178 HG23 ILE 23 HG23 ILE 23 18.198 26.541 3.324 179 HD11 ILE 23 HD11 ILE 23 17.472 24.035 1.824 180 HD12 ILE 23 HD12 ILE 23 17.744 24.121 0.083 181 HD13 ILE 23 HD13 ILE 23 16.102 23.967 0.715 182 HA PRO 24 HA PRO 24 21.127 30.974 1.783 183 HB2 PRO 24 HB2 PRO 24 21.129 31.455 4.498 184 HB3 PRO 24 HB1 PRO 24 20.231 32.394 3.306 185 HG2 PRO 24 HG2 PRO 24 19.268 30.335 5.200 186 HG3 PRO 24 HG1 PRO 24 18.422 31.731 4.522 187 HD2 PRO 24 HD2 PRO 24 18.062 29.118 3.722 188 HD3 PRO 24 HD1 PRO 24 17.660 30.544 2.749 189 HA PRO 25 HA PRO 25 24.551 28.409 2.638 190 HB2 PRO 25 HB2 PRO 25 25.629 30.668 4.264 191 HB3 PRO 25 HB1 PRO 25 26.401 29.744 2.968 192 HG2 PRO 25 HG2 PRO 25 25.461 32.183 2.499 193 HG3 PRO 25 HG1 PRO 25 25.268 30.893 1.297 194 HD2 PRO 25 HD2 PRO 25 23.255 32.079 3.145 195 HD3 PRO 25 HD1 PRO 25 23.048 31.453 1.497 196 H THR 26 HN THR 26 23.349 30.164 5.486 197 HA THR 26 HA THR 26 24.672 28.560 7.400 198 HB THR 26 HB THR 26 22.810 29.491 8.935 199 HG1 THR 26 HG1 THR 26 21.250 30.141 7.518 200 HG21 THR 26 HG21 THR 26 23.893 31.697 8.997 201 HG22 THR 26 HG22 THR 26 24.658 31.358 7.444 202 HG23 THR 26 HG23 THR 26 25.074 30.394 8.861 203 H ASP 27 HN ASP 27 21.379 28.504 6.116 204 HA ASP 27 HA ASP 27 20.422 26.606 7.975 205 HB2 ASP 27 HB2 ASP 27 19.296 27.590 5.353 206 HB3 ASP 27 HB1 ASP 27 18.429 26.518 6.449 207 H SER 28 HN SER 28 22.264 26.212 5.143 208 HA SER 28 HA SER 28 21.302 23.767 4.174 209 HB2 SER 28 HB2 SER 28 23.542 23.478 3.188 210 HB3 SER 28 HB1 SER 28 22.948 25.121 2.956 211 HG SER 28 HG SER 28 24.387 25.871 4.396 212 H PHE 29 HN PHE 29 23.624 24.506 6.717 213 HA PHE 29 HA PHE 29 24.409 21.880 7.335 214 HB2 PHE 29 HB2 PHE 29 24.269 24.365 9.059 215 HB3 PHE 29 HB1 PHE 29 25.012 22.860 9.578 216 HD1 PHE 29 HD1 PHE 29 25.199 25.218 6.672 217 HD2 PHE 29 HD2 PHE 29 27.285 22.716 9.405 218 HE1 PHE 29 HE1 PHE 29 27.332 25.964 5.715 219 HE2 PHE 29 HE2 PHE 29 29.426 23.451 8.443 220 HZ PHE 29 HZ PHE 29 29.451 25.077 6.596 221 H ALA 30 HN ALA 30 21.815 23.927 8.578 222 HA ALA 30 HA ALA 30 20.865 22.100 10.516 223 HB1 ALA 30 HB1 ALA 30 20.386 24.493 10.593 224 HB2 ALA 30 HB2 ALA 30 18.905 23.537 10.619 225 HB3 ALA 30 HB3 ALA 30 19.407 24.344 9.134 226 H VAL 31 HN VAL 31 19.911 22.771 7.164 227 HA VAL 31 HA VAL 31 17.724 21.042 6.999 228 HB VAL 31 HB VAL 31 19.701 21.815 4.843 229 HG11 VAL 31 HG11 VAL 31 17.010 20.484 4.549 230 HG12 VAL 31 HG12 VAL 31 18.575 19.727 4.250 231 HG13 VAL 31 HG13 VAL 31 18.030 21.060 3.229 232 HG21 VAL 31 HG21 VAL 31 16.941 22.843 5.497 233 HG22 VAL 31 HG22 VAL 31 17.923 23.346 4.121 234 HG23 VAL 31 HG23 VAL 31 18.461 23.696 5.764 235 H LEU 32 HN LEU 32 21.168 20.403 6.340 236 HA LEU 32 HA LEU 32 20.763 17.697 5.617 237 HB2 LEU 32 HB2 LEU 32 23.064 17.495 5.493 238 HB3 LEU 32 HB1 LEU 32 22.796 19.192 5.161 239 HG LEU 32 HG LEU 32 23.224 19.359 7.797 240 HD11 LEU 32 HD11 LEU 32 24.897 17.010 6.926 241 HD12 LEU 32 HD12 LEU 32 23.519 16.928 8.021 242 HD13 LEU 32 HD13 LEU 32 24.964 17.829 8.487 243 HD21 LEU 32 HD21 LEU 32 25.385 19.147 5.710 244 HD22 LEU 32 HD22 LEU 32 25.517 19.962 7.268 245 HD23 LEU 32 HD23 LEU 32 24.408 20.576 6.043 246 H ALA 33 HN ALA 33 21.487 19.284 8.698 247 HA ALA 33 HA ALA 33 21.855 16.970 10.244 248 HB1 ALA 33 HB1 ALA 33 22.365 19.230 11.046 249 HB2 ALA 33 HB2 ALA 33 21.320 18.361 12.168 250 HB3 ALA 33 HB3 ALA 33 20.641 19.594 11.106 251 H LEU 34 HN LEU 34 18.933 18.676 9.272 252 HA LEU 34 HA LEU 34 17.139 17.058 10.777 253 HB2 LEU 34 HB2 LEU 34 16.656 19.348 9.881 254 HB3 LEU 34 HB1 LEU 34 16.561 18.643 8.276 255 HG LEU 34 HG LEU 34 14.663 17.253 9.017 256 HD11 LEU 34 HD11 LEU 34 13.602 17.714 11.169 257 HD12 LEU 34 HD12 LEU 34 14.920 18.811 11.585 258 HD13 LEU 34 HD13 LEU 34 15.238 17.088 11.379 259 HD21 LEU 34 HD21 LEU 34 13.033 19.070 9.172 260 HD22 LEU 34 HD22 LEU 34 14.257 19.405 7.949 261 HD23 LEU 34 HD23 LEU 34 14.335 20.209 9.517 262 H LEU 35 HN LEU 35 18.096 17.087 7.351 263 HA LEU 35 HA LEU 35 16.407 14.950 6.592 264 HB2 LEU 35 HB2 LEU 35 18.847 16.124 5.275 265 HB3 LEU 35 HB1 LEU 35 17.858 14.879 4.538 266 HG LEU 35 HG LEU 35 16.947 17.664 5.269 267 HD11 LEU 35 HD11 LEU 35 16.756 17.959 2.846 268 HD12 LEU 35 HD12 LEU 35 17.430 16.348 2.599 269 HD13 LEU 35 HD13 LEU 35 18.417 17.614 3.330 270 HD21 LEU 35 HD21 LEU 35 15.152 16.033 5.547 271 HD22 LEU 35 HD22 LEU 35 15.456 15.410 3.925 272 HD23 LEU 35 HD23 LEU 35 14.864 17.057 4.140 273 H CYS 36 HN CYS 36 19.636 15.027 7.900 274 HA CYS 36 HA CYS 36 20.528 12.491 7.090 275 HB2 CYS 36 HB2 CYS 36 21.985 14.230 8.079 276 HB3 CYS 36 HB1 CYS 36 21.211 13.974 9.638 277 HG CYS 36 HG CYS 36 22.041 11.083 9.291 278 H ARG 37 HN ARG 37 18.051 13.322 9.237 279 HA ARG 37 HA ARG 37 18.238 10.890 10.821 280 HB2 ARG 37 HB2 ARG 37 16.054 12.979 10.844 281 HB3 ARG 37 HB1 ARG 37 16.414 11.794 12.097 282 HG2 ARG 37 HG2 ARG 37 18.489 12.878 12.611 283 HG3 ARG 37 HG1 ARG 37 18.299 13.982 11.251 284 HD2 ARG 37 HD2 ARG 37 16.167 14.769 12.384 285 HD3 ARG 37 HD1 ARG 37 16.721 13.880 13.805 286 HE ARG 37 HE ARG 37 18.527 15.845 12.606 287 HH11 ARG 37 HH11 ARG 37 16.429 14.917 15.251 288 HH12 ARG 37 HH12 ARG 37 16.985 16.180 16.309 289 HH21 ARG 37 HH21 ARG 37 19.277 17.498 14.010 290 HH22 ARG 37 HH22 ARG 37 18.629 17.628 15.618 291 H ARG 38 HN ARG 38 17.214 11.615 7.813 292 HA ARG 38 HA ARG 38 15.256 9.417 7.821 293 HB2 ARG 38 HB2 ARG 38 13.980 11.414 7.444 294 HB3 ARG 38 HB1 ARG 38 15.144 12.011 6.271 295 HG2 ARG 38 HG2 ARG 38 13.120 11.196 5.191 296 HG3 ARG 38 HG1 ARG 38 14.525 10.236 4.726 297 HD2 ARG 38 HD2 ARG 38 12.755 8.709 5.114 298 HD3 ARG 38 HD1 ARG 38 13.844 8.579 6.491 299 HE ARG 38 HE ARG 38 12.110 10.262 7.502 300 HH11 ARG 38 HH11 ARG 38 11.536 7.397 5.566 301 HH12 ARG 38 HH12 ARG 38 9.935 7.132 6.197 302 HH21 ARG 38 HH21 ARG 38 10.001 9.905 8.348 303 HH22 ARG 38 HH22 ARG 38 9.054 8.570 7.762 304 H LEU 39 HN LEU 39 17.718 11.201 6.031 305 HA LEU 39 HA LEU 39 18.291 8.766 4.486 306 HB2 LEU 39 HB2 LEU 39 18.161 11.585 3.399 307 HB3 LEU 39 HB1 LEU 39 18.772 10.200 2.516 308 HG LEU 39 HG LEU 39 15.933 10.466 3.508 309 HD11 LEU 39 HD11 LEU 39 15.359 10.867 1.163 310 HD12 LEU 39 HD12 LEU 39 17.072 10.880 0.747 311 HD13 LEU 39 HD13 LEU 39 16.412 12.132 1.798 312 HD21 LEU 39 HD21 LEU 39 17.226 8.486 1.633 313 HD22 LEU 39 HD22 LEU 39 15.508 8.566 2.025 314 HD23 LEU 39 HD23 LEU 39 16.680 8.154 3.277 315 H SER 40 HN SER 40 20.535 8.835 3.542 316 HA SER 40 HA SER 40 22.311 10.013 5.526 317 HB2 SER 40 HB2 SER 40 23.946 8.520 3.935 318 HB3 SER 40 HB1 SER 40 23.114 7.912 5.366 319 HG SER 40 HG SER 40 22.078 7.818 2.704 320 H HIS 41 HN HIS 41 24.614 10.491 4.459 321 HA HIS 41 HA HIS 41 24.285 13.009 3.337 322 HB2 HIS 41 HB2 HIS 41 26.746 13.008 2.972 323 HB3 HIS 41 HB1 HIS 41 26.266 12.540 4.596 324 HD1 HIS 41 HD1 HIS 41 27.441 10.567 5.483 325 HD2 HIS 41 HD2 HIS 41 27.368 10.573 1.322 326 HE1 HIS 41 HE1 HIS 41 28.769 8.550 4.774 327 HE2 HIS 41 HE2 HIS 41 28.563 8.481 2.264 328 H ASP 42 HN ASP 42 24.561 9.956 1.676 329 HA ASP 42 HA ASP 42 25.402 11.063 -0.820 330 HB2 ASP 42 HB2 ASP 42 25.662 8.645 -0.228 331 HB3 ASP 42 HB1 ASP 42 23.914 8.466 -0.356 332 H GLU 43 HN GLU 43 22.302 9.971 0.474 333 HA GLU 43 HA GLU 43 20.742 10.667 -1.749 334 HB2 GLU 43 HB2 GLU 43 20.014 10.369 1.164 335 HB3 GLU 43 HB1 GLU 43 18.832 10.596 -0.115 336 HG2 GLU 43 HG2 GLU 43 18.941 8.275 0.441 337 HG3 GLU 43 HG1 GLU 43 19.625 8.504 -1.166 338 H VAL 44 HN VAL 44 21.545 12.476 1.215 339 HA VAL 44 HA VAL 44 19.914 14.703 0.508 340 HB VAL 44 HB VAL 44 21.027 15.948 2.277 341 HG11 VAL 44 HG11 VAL 44 19.259 14.410 2.899 342 HG12 VAL 44 HG12 VAL 44 20.491 14.470 4.160 343 HG13 VAL 44 HG13 VAL 44 20.427 13.098 3.054 344 HG21 VAL 44 HG21 VAL 44 22.815 14.917 3.613 345 HG22 VAL 44 HG22 VAL 44 23.314 15.229 1.951 346 HG23 VAL 44 HG23 VAL 44 22.896 13.590 2.453 347 H LYS 45 HN LYS 45 23.297 13.883 -0.072 348 HA LYS 45 HA LYS 45 24.149 16.294 -1.212 349 HB2 LYS 45 HB2 LYS 45 25.719 14.478 -0.716 350 HB3 LYS 45 HB1 LYS 45 24.919 13.445 -1.899 351 HG2 LYS 45 HG2 LYS 45 25.606 15.041 -3.675 352 HG3 LYS 45 HG1 LYS 45 26.522 15.931 -2.454 353 HD2 LYS 45 HD2 LYS 45 27.823 13.901 -1.974 354 HD3 LYS 45 HD1 LYS 45 26.921 13.040 -3.223 355 HE2 LYS 45 HE2 LYS 45 27.751 14.658 -4.891 356 HE3 LYS 45 HE1 LYS 45 28.710 15.432 -3.629 357 HZ1 LYS 45 HZ1 LYS 45 30.085 13.928 -4.854 358 HZ2 LYS 45 HZ2 LYS 45 28.999 12.649 -4.623 359 HZ3 LYS 45 HZ3 LYS 45 29.852 13.284 -3.299 360 H ALA 46 HN ALA 46 22.513 13.495 -2.621 361 HA ALA 46 HA ALA 46 22.476 14.474 -5.279 362 HB1 ALA 46 HB1 ALA 46 22.239 12.104 -4.721 363 HB2 ALA 46 HB2 ALA 46 20.900 12.679 -5.716 364 HB3 ALA 46 HB3 ALA 46 20.672 12.439 -3.984 365 H VAL 47 HN VAL 47 19.955 14.435 -2.737 366 HA VAL 47 HA VAL 47 17.961 15.584 -4.369 367 HB VAL 47 HB VAL 47 17.446 14.352 -2.288 368 HG11 VAL 47 HG11 VAL 47 18.416 16.833 -0.885 369 HG12 VAL 47 HG12 VAL 47 19.170 15.239 -0.831 370 HG13 VAL 47 HG13 VAL 47 17.571 15.484 -0.126 371 HG21 VAL 47 HG21 VAL 47 16.347 17.155 -2.402 372 HG22 VAL 47 HG22 VAL 47 15.615 15.801 -1.541 373 HG23 VAL 47 HG23 VAL 47 15.751 15.758 -3.299 374 H ALA 48 HN ALA 48 20.359 17.066 -2.214 375 HA ALA 48 HA ALA 48 19.346 19.707 -2.478 376 HB1 ALA 48 HB1 ALA 48 22.163 18.817 -1.870 377 HB2 ALA 48 HB2 ALA 48 20.884 19.068 -0.683 378 HB3 ALA 48 HB3 ALA 48 21.505 20.433 -1.612 379 H ASN 49 HN ASN 49 21.675 17.798 -4.291 380 HA ASN 49 HA ASN 49 22.667 19.838 -5.948 381 HB2 ASN 49 HB2 ASN 49 23.752 17.640 -5.705 382 HB3 ASN 49 HB1 ASN 49 22.400 16.882 -6.540 383 HD21 ASN 49 HD21 ASN 49 25.208 18.899 -6.870 384 HD22 ASN 49 HD22 ASN 49 25.312 18.816 -8.593 385 H GLU 50 HN GLU 50 20.015 17.503 -6.471 386 HA GLU 50 HA GLU 50 19.345 18.616 -9.015 387 HB2 GLU 50 HB2 GLU 50 17.378 17.180 -8.947 388 HB3 GLU 50 HB1 GLU 50 18.816 16.287 -8.480 389 HG2 GLU 50 HG2 GLU 50 18.173 16.521 -6.123 390 HG3 GLU 50 HG1 GLU 50 16.713 17.372 -6.622 391 H LEU 51 HN LEU 51 18.350 19.221 -5.721 392 HA LEU 51 HA LEU 51 16.072 20.774 -6.241 393 HB2 LEU 51 HB2 LEU 51 16.688 19.954 -4.007 394 HB3 LEU 51 HB1 LEU 51 18.074 21.027 -3.994 395 HG LEU 51 HG LEU 51 16.579 22.978 -4.008 396 HD11 LEU 51 HD11 LEU 51 14.360 20.942 -3.842 397 HD12 LEU 51 HD12 LEU 51 14.696 22.002 -5.210 398 HD13 LEU 51 HD13 LEU 51 14.177 22.687 -3.670 399 HD21 LEU 51 HD21 LEU 51 17.336 22.073 -1.882 400 HD22 LEU 51 HD22 LEU 51 15.959 20.970 -1.845 401 HD23 LEU 51 HD23 LEU 51 15.698 22.711 -1.740 402 H MET 52 HN MET 52 19.504 21.625 -6.036 403 HA MET 52 HA MET 52 19.259 24.392 -6.440 404 HB2 MET 52 HB2 MET 52 21.474 22.488 -7.218 405 HB3 MET 52 HB1 MET 52 21.599 24.235 -7.363 406 HG2 MET 52 HG2 MET 52 21.260 24.440 -4.939 407 HG3 MET 52 HG1 MET 52 21.197 22.682 -4.819 408 HE1 MET 52 HE1 MET 52 23.109 22.956 -2.919 409 HE2 MET 52 HE2 MET 52 23.185 24.694 -3.203 410 HE3 MET 52 HE3 MET 52 24.664 23.733 -3.221 411 H ARG 53 HN ARG 53 19.348 21.712 -8.705 412 HA ARG 53 HA ARG 53 19.566 23.329 -11.044 413 HB2 ARG 53 HB2 ARG 53 18.680 20.455 -10.739 414 HB3 ARG 53 HB1 ARG 53 19.085 21.240 -12.260 415 HG2 ARG 53 HG2 ARG 53 20.974 20.814 -9.954 416 HG3 ARG 53 HG1 ARG 53 20.917 19.853 -11.432 417 HD2 ARG 53 HD2 ARG 53 21.445 22.819 -11.342 418 HD3 ARG 53 HD1 ARG 53 22.701 21.584 -11.422 419 HE ARG 53 HE ARG 53 21.471 20.896 -13.564 420 HH11 ARG 53 HH11 ARG 53 21.687 24.208 -12.404 421 HH12 ARG 53 HH12 ARG 53 21.621 24.898 -14.003 422 HH21 ARG 53 HH21 ARG 53 21.410 21.803 -15.647 423 HH22 ARG 53 HH22 ARG 53 21.465 23.529 -15.847 424 H LEU 54 HN LEU 54 16.852 21.606 -9.513 425 HA LEU 54 HA LEU 54 15.001 22.320 -11.552 426 HB2 LEU 54 HB2 LEU 54 14.849 20.966 -8.914 427 HB3 LEU 54 HB1 LEU 54 13.362 21.620 -9.571 428 HG LEU 54 HG LEU 54 13.625 19.244 -10.102 429 HD11 LEU 54 HD11 LEU 54 13.221 19.393 -12.506 430 HD12 LEU 54 HD12 LEU 54 13.845 21.043 -12.508 431 HD13 LEU 54 HD13 LEU 54 12.369 20.659 -11.623 432 HD21 LEU 54 HD21 LEU 54 16.066 20.103 -11.650 433 HD22 LEU 54 HD22 LEU 54 15.347 18.492 -11.659 434 HD23 LEU 54 HD23 LEU 54 16.061 19.131 -10.178 435 H GLY 55 HN GLY 55 15.893 23.808 -8.500 436 HA2 GLY 55 HA2 GLY 55 13.923 25.926 -9.098 437 HA3 GLY 55 HA1 GLY 55 14.178 25.342 -7.459 438 H ASP 56 HN ASP 56 14.724 27.441 -6.775 439 HA ASP 56 HA ASP 56 17.372 28.337 -7.685 440 HB2 ASP 56 HB2 ASP 56 15.699 30.069 -7.985 441 HB3 ASP 56 HB1 ASP 56 15.183 29.907 -6.309 442 H PHE 57 HN PHE 57 18.780 27.354 -6.461 443 HA PHE 57 HA PHE 57 18.543 27.621 -3.538 444 HB2 PHE 57 HB2 PHE 57 18.315 25.259 -4.511 445 HB3 PHE 57 HB1 PHE 57 19.990 25.404 -5.010 446 HD1 PHE 57 HD1 PHE 57 20.724 26.960 -2.337 447 HD2 PHE 57 HD2 PHE 57 18.774 23.292 -3.229 448 HE1 PHE 57 HE1 PHE 57 21.455 26.053 -0.173 449 HE2 PHE 57 HE2 PHE 57 19.495 22.377 -1.063 450 HZ PHE 57 HZ PHE 57 20.839 23.758 0.468 451 H ASP 58 HN ASP 58 20.189 28.759 -2.662 452 HA ASP 58 HA ASP 58 22.009 30.167 -4.225 453 HB2 ASP 58 HB2 ASP 58 21.286 30.779 -1.905 454 HB3 ASP 58 HB1 ASP 58 22.327 29.500 -1.289 455 H GLN 59 HN GLN 59 24.132 29.855 -4.790 456 HA GLN 59 HA GLN 59 24.896 27.097 -5.014 457 HB2 GLN 59 HB2 GLN 59 25.207 28.943 -6.773 458 HB3 GLN 59 HB1 GLN 59 26.592 29.450 -5.819 459 HG2 GLN 59 HG2 GLN 59 27.266 28.031 -7.672 460 HG3 GLN 59 HG1 GLN 59 27.622 27.266 -6.123 461 HE21 GLN 59 HE21 GLN 59 26.617 25.375 -5.582 462 HE22 GLN 59 HE22 GLN 59 25.562 24.515 -6.656 463 H ILE 60 HN ILE 60 25.152 26.602 -2.814 464 HA ILE 60 HA ILE 60 27.614 27.650 -1.587 465 HB ILE 60 HB ILE 60 26.619 26.960 0.590 466 HG12 ILE 60 HG12 ILE 60 24.110 26.594 -1.067 467 HG13 ILE 60 HG11 ILE 60 25.027 25.298 -0.305 468 HG21 ILE 60 HG21 ILE 60 26.539 29.273 -0.144 469 HG22 ILE 60 HG22 ILE 60 25.076 28.858 0.749 470 HG23 ILE 60 HG23 ILE 60 25.036 28.963 -1.010 471 HD11 ILE 60 HD11 ILE 60 24.506 26.220 1.886 472 HD12 ILE 60 HD12 ILE 60 23.043 25.854 0.971 473 HD13 ILE 60 HD13 ILE 60 23.595 27.523 1.125 474 H ASP 61 HN ASP 61 28.579 26.065 -0.010 475 HA ASP 61 HA ASP 61 29.048 23.596 -1.412 476 HB2 ASP 61 HB2 ASP 61 30.984 24.631 -0.505 477 HB3 ASP 61 HB1 ASP 61 30.229 24.833 1.072 478 H ILE 62 HN ILE 62 27.493 22.127 -1.235 479 HA ILE 62 HA ILE 62 26.389 21.482 1.400 480 HB ILE 62 HB ILE 62 25.671 20.434 -1.348 481 HG12 ILE 62 HG12 ILE 62 25.019 22.778 -0.980 482 HG13 ILE 62 HG11 ILE 62 23.612 21.726 -1.091 483 HG21 ILE 62 HG21 ILE 62 23.744 19.379 -0.257 484 HG22 ILE 62 HG22 ILE 62 24.361 19.892 1.313 485 HG23 ILE 62 HG23 ILE 62 25.274 18.737 0.342 486 HD11 ILE 62 HD11 ILE 62 24.811 22.815 1.443 487 HD12 ILE 62 HD12 ILE 62 23.407 21.752 1.340 488 HD13 ILE 62 HD13 ILE 62 23.336 23.378 0.658 489 H GLY 63 HN GLY 63 28.242 20.146 -1.260 490 HA2 GLY 63 HA2 GLY 63 28.294 17.466 -0.525 491 HA3 GLY 63 HA1 GLY 63 29.513 18.265 -1.500 492 H VAL 64 HN VAL 64 30.723 19.978 0.264 493 HA VAL 64 HA VAL 64 32.342 18.080 1.666 494 HB VAL 64 HB VAL 64 32.471 21.101 1.754 495 HG11 VAL 64 HG11 VAL 64 33.623 20.077 3.645 496 HG12 VAL 64 HG12 VAL 64 34.784 20.759 2.506 497 HG13 VAL 64 HG13 VAL 64 34.509 19.018 2.548 498 HG21 VAL 64 HG21 VAL 64 33.979 19.124 0.043 499 HG22 VAL 64 HG22 VAL 64 34.272 20.863 0.108 500 HG23 VAL 64 HG23 VAL 64 32.738 20.250 -0.510 501 H VAL 65 HN VAL 65 29.869 20.404 2.610 502 HA VAL 65 HA VAL 65 30.371 20.367 5.384 503 HB VAL 65 HB VAL 65 27.780 20.887 3.916 504 HG11 VAL 65 HG11 VAL 65 27.320 20.236 6.212 505 HG12 VAL 65 HG12 VAL 65 27.030 21.962 5.993 506 HG13 VAL 65 HG13 VAL 65 28.499 21.409 6.798 507 HG21 VAL 65 HG21 VAL 65 29.489 22.496 3.353 508 HG22 VAL 65 HG22 VAL 65 29.865 22.740 5.061 509 HG23 VAL 65 HG23 VAL 65 28.302 23.253 4.421 510 H ILE 66 HN ILE 66 28.179 18.385 3.400 511 HA ILE 66 HA ILE 66 27.054 17.059 5.679 512 HB ILE 66 HB ILE 66 25.899 15.633 4.067 513 HG12 ILE 66 HG12 ILE 66 27.604 17.065 2.017 514 HG13 ILE 66 HG11 ILE 66 27.690 15.357 2.428 515 HG21 ILE 66 HG21 ILE 66 25.939 18.548 3.309 516 HG22 ILE 66 HG22 ILE 66 24.967 17.807 4.581 517 HG23 ILE 66 HG23 ILE 66 24.664 17.403 2.891 518 HD11 ILE 66 HD11 ILE 66 25.432 15.040 1.570 519 HD12 ILE 66 HD12 ILE 66 26.515 15.698 0.344 520 HD13 ILE 66 HD13 ILE 66 25.355 16.752 1.153 521 H THR 67 HN THR 67 29.823 16.492 3.705 522 HA THR 67 HA THR 67 30.013 13.732 4.660 523 HB THR 67 HB THR 67 31.902 13.536 3.029 524 HG1 THR 67 HG1 THR 67 31.020 16.018 1.962 525 HG21 THR 67 HG21 THR 67 29.629 12.854 2.401 526 HG22 THR 67 HG22 THR 67 30.487 13.532 1.019 527 HG23 THR 67 HG23 THR 67 29.273 14.496 1.860 528 H HIS 68 HN HIS 68 31.213 16.867 5.205 529 HA HIS 68 HA HIS 68 33.121 15.832 7.174 530 HB2 HIS 68 HB2 HIS 68 34.504 16.502 5.295 531 HB3 HIS 68 HB1 HIS 68 33.675 18.050 5.183 532 HD1 HIS 68 HD1 HIS 68 34.844 19.943 6.286 533 HD2 HIS 68 HD2 HIS 68 35.953 16.270 7.907 534 HE1 HIS 68 HE1 HIS 68 36.647 20.451 7.959 535 HE2 HIS 68 HE2 HIS 68 37.187 18.244 9.040 536 H PHE 69 HN PHE 69 31.613 16.248 8.744 537 HA PHE 69 HA PHE 69 30.155 18.632 9.034 538 HB2 PHE 69 HB2 PHE 69 30.906 16.523 11.062 539 HB3 PHE 69 HB1 PHE 69 29.764 17.825 11.372 540 HD1 PHE 69 HD1 PHE 69 30.356 14.724 9.495 541 HD2 PHE 69 HD2 PHE 69 27.555 17.772 10.477 542 HE1 PHE 69 HE1 PHE 69 28.538 13.341 8.581 543 HE2 PHE 69 HE2 PHE 69 25.734 16.398 9.565 544 HZ PHE 69 HZ PHE 69 26.222 14.179 8.616 545 H THR 70 HN THR 70 30.456 20.432 10.265 546 HA THR 70 HA THR 70 33.160 21.059 11.083 547 HB THR 70 HB THR 70 31.963 23.275 11.757 548 HG1 THR 70 HG1 THR 70 29.833 22.120 11.432 549 HG21 THR 70 HG21 THR 70 32.145 22.412 8.868 550 HG22 THR 70 HG22 THR 70 33.464 23.061 9.844 551 HG23 THR 70 HG23 THR 70 32.079 24.078 9.445 552 H ASP 71 HN ASP 71 33.078 22.548 13.232 553 HA ASP 71 HA ASP 71 32.488 20.654 15.333 554 HB2 ASP 71 HB2 ASP 71 33.641 23.449 15.455 555 HB3 ASP 71 HB1 ASP 71 33.531 22.344 16.820 556 H GLU 72 HN GLU 72 31.655 24.072 14.817 557 HA GLU 72 HA GLU 72 29.690 23.911 16.933 558 HB2 GLU 72 HB2 GLU 72 30.459 26.247 15.176 559 HB3 GLU 72 HB1 GLU 72 29.464 26.327 16.625 560 HG2 GLU 72 HG2 GLU 72 32.372 25.566 16.474 561 HG3 GLU 72 HG1 GLU 72 31.695 27.054 17.137 562 H LEU 73 HN LEU 73 29.754 23.991 13.467 563 HA LEU 73 HA LEU 73 26.841 24.272 13.375 564 HB2 LEU 73 HB2 LEU 73 28.896 24.317 11.161 565 HB3 LEU 73 HB1 LEU 73 27.169 24.505 10.929 566 HG LEU 73 HG LEU 73 28.895 26.401 12.526 567 HD11 LEU 73 HD11 LEU 73 28.615 27.928 10.637 568 HD12 LEU 73 HD12 LEU 73 27.778 26.663 9.738 569 HD13 LEU 73 HD13 LEU 73 29.477 26.464 10.164 570 HD21 LEU 73 HD21 LEU 73 26.566 26.345 13.257 571 HD22 LEU 73 HD22 LEU 73 26.032 26.604 11.597 572 HD23 LEU 73 HD23 LEU 73 26.937 27.862 12.438 573 HA PRO 74 HA PRO 74 25.205 23.771 12.052 574 HB2 PRO 74 HB2 PRO 74 23.028 22.232 12.406 575 HB3 PRO 74 HB1 PRO 74 23.909 22.266 10.874 576 HG2 PRO 74 HG2 PRO 74 24.011 20.242 13.073 577 HG3 PRO 74 HG1 PRO 74 23.991 19.991 11.320 578 HD2 PRO 74 HD2 PRO 74 26.260 19.902 12.857 579 HD3 PRO 74 HD1 PRO 74 26.246 20.305 11.129 580 H SER 75 HN SER 75 24.703 25.086 13.680 581 HA SER 75 HA SER 75 24.864 24.208 16.409 582 HB2 SER 75 HB2 SER 75 24.015 26.899 15.309 583 HB3 SER 75 HB1 SER 75 24.539 26.553 16.958 584 HG SER 75 HG SER 75 26.510 25.689 15.659 585 HA PRO 76 HA PRO 76 20.665 23.179 17.371 586 HB2 PRO 76 HB2 PRO 76 21.000 25.090 19.643 587 HB3 PRO 76 HB1 PRO 76 20.412 23.422 19.652 588 HG2 PRO 76 HG2 PRO 76 22.872 23.984 20.481 589 HG3 PRO 76 HG1 PRO 76 22.551 22.529 19.519 590 HD2 PRO 76 HD2 PRO 76 23.824 25.100 18.705 591 HD3 PRO 76 HD1 PRO 76 24.170 23.446 18.162 592 H GLU 77 HN GLU 77 21.535 26.611 17.691 593 HA GLU 77 HA GLU 77 18.974 27.720 17.530 594 HB2 GLU 77 HB2 GLU 77 21.036 28.967 18.136 595 HB3 GLU 77 HB1 GLU 77 21.556 28.879 16.458 596 HG2 GLU 77 HG2 GLU 77 20.644 31.021 16.743 597 HG3 GLU 77 HG1 GLU 77 19.427 30.095 15.865 598 H ASP 78 HN ASP 78 21.262 26.831 15.002 599 HA ASP 78 HA ASP 78 19.769 27.913 12.835 600 HB2 ASP 78 HB2 ASP 78 22.314 27.146 13.074 601 HB3 ASP 78 HB1 ASP 78 21.669 25.644 12.423 602 H VAL 79 HN VAL 79 20.210 24.671 14.159 603 HA VAL 79 HA VAL 79 18.558 23.253 12.405 604 HB VAL 79 HB VAL 79 19.063 22.671 15.332 605 HG11 VAL 79 HG11 VAL 79 18.560 20.347 14.745 606 HG12 VAL 79 HG12 VAL 79 18.167 20.847 13.101 607 HG13 VAL 79 HG13 VAL 79 17.177 21.401 14.451 608 HG21 VAL 79 HG21 VAL 79 21.144 22.888 14.099 609 HG22 VAL 79 HG22 VAL 79 20.555 21.767 12.871 610 HG23 VAL 79 HG23 VAL 79 20.852 21.200 14.514 611 H GLU 80 HN GLU 80 17.801 24.881 15.470 612 HA GLU 80 HA GLU 80 15.091 24.180 15.590 613 HB2 GLU 80 HB2 GLU 80 16.799 26.265 16.809 614 HB3 GLU 80 HB1 GLU 80 15.068 26.589 16.794 615 HG2 GLU 80 HG2 GLU 80 16.329 24.087 17.893 616 HG3 GLU 80 HG1 GLU 80 15.857 25.487 18.858 617 H ARG 81 HN ARG 81 16.705 26.919 14.045 618 HA ARG 81 HA ARG 81 14.447 28.334 13.221 619 HB2 ARG 81 HB2 ARG 81 16.833 29.111 13.056 620 HB3 ARG 81 HB1 ARG 81 17.021 28.062 11.659 621 HG2 ARG 81 HG2 ARG 81 14.999 29.363 10.705 622 HG3 ARG 81 HG1 ARG 81 15.401 30.558 11.939 623 HD2 ARG 81 HD2 ARG 81 17.123 29.583 9.672 624 HD3 ARG 81 HD1 ARG 81 16.512 31.214 9.942 625 HE ARG 81 HE ARG 81 18.036 31.357 11.841 626 HH11 ARG 81 HH11 ARG 81 18.586 28.842 9.469 627 HH12 ARG 81 HH12 ARG 81 20.258 28.618 9.911 628 HH21 ARG 81 HH21 ARG 81 20.272 31.081 12.384 629 HH22 ARG 81 HH22 ARG 81 21.207 29.879 11.537 630 H VAL 82 HN VAL 82 16.359 25.918 11.400 631 HA VAL 82 HA VAL 82 14.595 25.925 9.174 632 HB VAL 82 HB VAL 82 17.030 25.071 9.280 633 HG11 VAL 82 HG11 VAL 82 15.590 22.542 10.071 634 HG12 VAL 82 HG12 VAL 82 16.761 23.431 11.048 635 HG13 VAL 82 HG13 VAL 82 17.274 22.647 9.554 636 HG21 VAL 82 HG21 VAL 82 15.694 25.043 7.263 637 HG22 VAL 82 HG22 VAL 82 14.926 23.537 7.767 638 HG23 VAL 82 HG23 VAL 82 16.647 23.563 7.382 639 H ARG 83 HN ARG 83 14.667 24.078 12.146 640 HA ARG 83 HA ARG 83 12.924 21.997 11.367 641 HB2 ARG 83 HB2 ARG 83 14.478 22.129 13.407 642 HB3 ARG 83 HB1 ARG 83 13.207 23.066 14.175 643 HG2 ARG 83 HG2 ARG 83 11.679 21.206 14.010 644 HG3 ARG 83 HG1 ARG 83 12.875 20.268 13.112 645 HD2 ARG 83 HD2 ARG 83 14.397 20.527 15.114 646 HD3 ARG 83 HD1 ARG 83 13.003 21.165 15.984 647 HE ARG 83 HE ARG 83 12.122 18.786 14.989 648 HH11 ARG 83 HH11 ARG 83 14.816 19.773 17.004 649 HH12 ARG 83 HH12 ARG 83 14.947 18.233 17.806 650 HH21 ARG 83 HH21 ARG 83 12.278 16.762 16.050 651 HH22 ARG 83 HH22 ARG 83 13.490 16.534 17.288 652 H ALA 84 HN ALA 84 12.373 25.138 12.904 653 HA ALA 84 HA ALA 84 9.542 24.752 13.148 654 HB1 ALA 84 HB1 ALA 84 11.155 27.299 13.288 655 HB2 ALA 84 HB2 ALA 84 10.771 26.247 14.651 656 HB3 ALA 84 HB3 ALA 84 9.480 27.097 13.804 657 H ARG 85 HN ARG 85 11.682 26.416 10.896 658 HA ARG 85 HA ARG 85 9.762 27.721 9.342 659 HB2 ARG 85 HB2 ARG 85 12.133 28.238 9.197 660 HB3 ARG 85 HB1 ARG 85 12.475 26.634 8.569 661 HG2 ARG 85 HG2 ARG 85 12.540 28.139 6.747 662 HG3 ARG 85 HG1 ARG 85 11.058 27.195 6.590 663 HD2 ARG 85 HD2 ARG 85 9.783 29.048 7.562 664 HD3 ARG 85 HD1 ARG 85 11.268 29.989 7.712 665 HE ARG 85 HE ARG 85 10.000 29.189 5.168 666 HH11 ARG 85 HH11 ARG 85 12.133 31.269 7.011 667 HH12 ARG 85 HH12 ARG 85 12.434 32.359 5.692 668 HH21 ARG 85 HH21 ARG 85 10.413 30.588 3.419 669 HH22 ARG 85 HH22 ARG 85 11.469 31.949 3.615 670 H LEU 86 HN LEU 86 11.216 24.507 8.937 671 HA LEU 86 HA LEU 86 9.797 23.984 6.508 672 HB2 LEU 86 HB2 LEU 86 11.651 22.463 8.268 673 HB3 LEU 86 HB1 LEU 86 10.652 21.557 7.150 674 HG LEU 86 HG LEU 86 12.959 22.092 6.314 675 HD11 LEU 86 HD11 LEU 86 11.148 21.517 4.788 676 HD12 LEU 86 HD12 LEU 86 12.218 22.724 4.073 677 HD13 LEU 86 HD13 LEU 86 10.653 23.209 4.726 678 HD21 LEU 86 HD21 LEU 86 11.874 24.900 6.193 679 HD22 LEU 86 HD22 LEU 86 13.385 24.346 5.475 680 HD23 LEU 86 HD23 LEU 86 13.185 24.335 7.228 681 H ALA 87 HN ALA 87 9.180 23.415 9.884 682 HA ALA 87 HA ALA 87 7.315 21.314 9.661 683 HB1 ALA 87 HB1 ALA 87 6.604 21.930 11.908 684 HB2 ALA 87 HB2 ALA 87 7.456 23.468 11.770 685 HB3 ALA 87 HB3 ALA 87 8.364 21.956 11.782 686 H ALA 88 HN ALA 88 7.053 24.698 9.033 687 HA ALA 88 HA ALA 88 4.250 24.975 9.329 688 HB1 ALA 88 HB1 ALA 88 6.140 26.593 7.626 689 HB2 ALA 88 HB2 ALA 88 5.781 26.885 9.328 690 HB3 ALA 88 HB3 ALA 88 4.512 27.065 8.116 691 H GLN 89 HN GLN 89 6.110 23.379 6.977 692 HA GLN 89 HA GLN 89 3.857 23.447 5.081 693 HB2 GLN 89 HB2 GLN 89 6.788 22.929 4.561 694 HB3 GLN 89 HB1 GLN 89 5.531 22.650 3.373 695 HG2 GLN 89 HG2 GLN 89 6.460 24.737 2.842 696 HG3 GLN 89 HG1 GLN 89 4.913 25.080 3.608 697 HE21 GLN 89 HE21 GLN 89 7.858 24.171 5.313 698 HE22 GLN 89 HE22 GLN 89 8.067 25.683 6.124 699 H GLY 90 HN GLY 90 4.691 21.689 7.523 700 HA2 GLY 90 HA2 GLY 90 3.576 19.551 7.807 701 HA3 GLY 90 HA1 GLY 90 4.060 19.146 6.166 702 H TRP 91 HN TRP 91 4.551 17.497 8.394 703 HA TRP 91 HA TRP 91 7.492 17.617 8.471 704 HB2 TRP 91 HB2 TRP 91 6.250 18.288 10.642 705 HB3 TRP 91 HB1 TRP 91 5.871 16.575 10.784 706 HD1 TRP 91 HD1 TRP 91 7.672 15.092 11.911 707 HE1 TRP 91 HE1 TRP 91 10.103 15.455 12.671 708 HE3 TRP 91 HE3 TRP 91 8.472 19.715 9.874 709 HZ2 TRP 91 HZ2 TRP 91 12.102 17.440 12.421 710 HZ3 TRP 91 HZ3 TRP 91 10.675 20.769 10.174 711 HH2 TRP 91 HH2 TRP 91 12.449 19.652 11.418 712 HA PRO 92 HA PRO 92 6.440 13.440 7.026 713 HB2 PRO 92 HB2 PRO 92 8.132 13.347 4.968 714 HB3 PRO 92 HB1 PRO 92 6.648 14.304 4.883 715 HG2 PRO 92 HG2 PRO 92 9.461 15.199 5.274 716 HG3 PRO 92 HG1 PRO 92 8.133 16.000 4.420 717 HD2 PRO 92 HD2 PRO 92 9.017 16.528 7.050 718 HD3 PRO 92 HD1 PRO 92 7.533 17.134 6.289 719 H LEU 93 HN LEU 93 8.675 14.423 9.017 720 HA LEU 93 HA LEU 93 10.815 12.571 8.469 721 HB2 LEU 93 HB2 LEU 93 10.258 14.463 10.733 722 HB3 LEU 93 HB1 LEU 93 11.548 13.282 10.834 723 HG LEU 93 HG LEU 93 12.490 15.384 10.185 724 HD11 LEU 93 HD11 LEU 93 12.334 13.540 7.808 725 HD12 LEU 93 HD12 LEU 93 13.477 13.427 9.147 726 HD13 LEU 93 HD13 LEU 93 13.537 14.807 8.050 727 HD21 LEU 93 HD21 LEU 93 11.824 16.553 8.144 728 HD22 LEU 93 HD22 LEU 93 10.495 16.451 9.300 729 HD23 LEU 93 HD23 LEU 93 10.530 15.381 7.898 730 H ASP 94 HN ASP 94 8.113 12.770 10.745 731 HA ASP 94 HA ASP 94 8.456 9.932 11.269 732 HB2 ASP 94 HB2 ASP 94 8.092 10.235 13.666 733 HB3 ASP 94 HB1 ASP 94 9.522 11.118 13.151 734 H ASP 95 HN ASP 95 6.540 8.944 12.066 735 HA ASP 95 HA ASP 95 4.190 10.127 10.809 736 HB2 ASP 95 HB2 ASP 95 4.704 7.321 11.817 737 HB3 ASP 95 HB1 ASP 95 3.191 7.852 11.093 738 H VAL 96 HN VAL 96 2.682 11.098 11.961 739 HA VAL 96 HA VAL 96 2.375 10.411 14.802 740 HB VAL 96 HB VAL 96 1.168 12.753 13.308 741 HG11 VAL 96 HG11 VAL 96 0.709 13.638 15.546 742 HG12 VAL 96 HG12 VAL 96 1.368 12.166 16.260 743 HG13 VAL 96 HG13 VAL 96 -0.096 12.092 15.282 744 HG21 VAL 96 HG21 VAL 96 3.597 12.674 15.095 745 HG22 VAL 96 HG22 VAL 96 2.858 14.131 14.431 746 HG23 VAL 96 HG23 VAL 96 3.594 12.945 13.352 747 H ARG 97 HN ARG 97 1.001 8.753 15.012 748 HA ARG 97 HA ARG 97 -1.345 8.681 13.230 749 HB2 ARG 97 HB2 ARG 97 0.301 6.408 14.334 750 HB3 ARG 97 HB1 ARG 97 -1.235 6.187 13.507 751 HG2 ARG 97 HG2 ARG 97 -0.331 7.103 11.477 752 HG3 ARG 97 HG1 ARG 97 1.183 7.505 12.290 753 HD2 ARG 97 HD2 ARG 97 1.291 5.436 10.910 754 HD3 ARG 97 HD1 ARG 97 1.705 5.188 12.606 755 HE ARG 97 HE ARG 97 -0.320 4.029 12.921 756 HH11 ARG 97 HH11 ARG 97 0.115 5.079 9.594 757 HH12 ARG 97 HH12 ARG 97 -1.096 3.992 8.969 758 HH21 ARG 97 HH21 ARG 97 -1.886 2.586 12.075 759 HH22 ARG 97 HH22 ARG 97 -2.214 2.578 10.373 760 H ASP 98 HN ASP 98 -0.505 9.215 16.362 761 HA ASP 98 HA ASP 98 -3.100 8.252 17.310 762 HB2 ASP 98 HB2 ASP 98 -1.369 6.549 17.889 763 HB3 ASP 98 HB1 ASP 98 -0.534 7.776 18.838 764 H ARG 99 HN ARG 99 -4.055 9.444 18.889 765 HA ARG 99 HA ARG 99 -2.582 11.471 20.325 766 HB2 ARG 99 HB2 ARG 99 -3.207 12.669 18.254 767 HB3 ARG 99 HB1 ARG 99 -4.894 12.247 18.524 768 HG2 ARG 99 HG2 ARG 99 -5.030 13.620 20.443 769 HG3 ARG 99 HG1 ARG 99 -3.281 13.834 20.499 770 HD2 ARG 99 HD2 ARG 99 -4.278 15.838 19.642 771 HD3 ARG 99 HD1 ARG 99 -3.406 15.037 18.340 772 HE ARG 99 HE ARG 99 -5.706 14.165 17.688 773 HH11 ARG 99 HH11 ARG 99 -5.199 17.214 19.318 774 HH12 ARG 99 HH12 ARG 99 -6.596 17.974 18.612 775 HH21 ARG 99 HH21 ARG 99 -7.549 15.155 16.754 776 HH22 ARG 99 HH22 ARG 99 -7.920 16.807 17.152 777 H GLU 100 HN GLU 100 -3.251 11.274 22.347 778 HA GLU 100 HA GLU 100 -5.496 9.618 22.927 779 HB2 GLU 100 HB2 GLU 100 -3.640 11.122 24.752 780 HB3 GLU 100 HB1 GLU 100 -4.869 9.989 25.298 781 HG2 GLU 100 HG2 GLU 100 -3.747 8.220 23.972 782 HG3 GLU 100 HG1 GLU 100 -2.467 9.373 23.597 783 H GLU 101 HN GLU 101 -4.838 13.017 23.058 784 HA GLU 101 HA GLU 101 -7.288 13.440 24.593 785 HB2 GLU 101 HB2 GLU 101 -5.016 15.331 24.002 786 HB3 GLU 101 HB1 GLU 101 -6.326 15.587 25.158 787 HG2 GLU 101 HG2 GLU 101 -4.511 13.206 25.325 788 HG3 GLU 101 HG1 GLU 101 -4.087 14.759 26.078 789 H HIS 102 HN HIS 102 -8.940 14.675 23.908 790 HA HIS 102 HA HIS 102 -9.139 14.843 21.009 791 HB2 HIS 102 HB2 HIS 102 -11.337 15.333 23.021 792 HB3 HIS 102 HB1 HIS 102 -11.509 14.929 21.318 793 HD1 HIS 102 HD1 HIS 102 -11.373 12.442 20.670 794 HD2 HIS 102 HD2 HIS 102 -10.775 13.171 24.722 795 HE1 HIS 102 HE1 HIS 102 -11.497 10.194 21.795 796 HE2 HIS 102 HE2 HIS 102 -11.361 10.696 24.265 797 H ALA 103 HN ALA 103 -9.690 16.865 23.854 798 HA ALA 103 HA ALA 103 -9.440 19.249 22.149 799 HB1 ALA 103 HB1 ALA 103 -11.124 20.371 23.520 800 HB2 ALA 103 HB2 ALA 103 -11.355 18.897 24.458 801 HB3 ALA 103 HB3 ALA 103 -11.793 18.933 22.750
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