NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
513540 | 2ldu | 17683 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 6.882 -31.462 -10.050 2 H2 MET 1 2H MET 1 6.010 -30.384 -9.086 3 H3 MET 1 3H MET 1 6.887 -31.632 -8.371 4 HA MET 1 HA MET 1 8.941 -30.703 -9.058 5 HB2 MET 1 2HB MET 1 7.230 -28.510 -10.311 6 HB3 MET 1 3HB MET 1 8.983 -28.464 -10.176 7 HG2 MET 1 2HG MET 1 7.416 -30.503 -11.780 8 HG3 MET 1 3HG MET 1 8.243 -29.091 -12.438 9 HE1 MET 1 3HE MET 1 8.936 -32.439 -10.287 10 HE2 MET 1 1HE MET 1 10.167 -33.111 -11.362 11 HE3 MET 1 2HE MET 1 8.539 -32.818 -11.965 12 H GLY 2 H GLY 2 8.982 -30.808 -6.827 13 HA2 GLY 2 2HA GLY 2 7.596 -28.988 -5.091 14 HA3 GLY 2 3HA GLY 2 8.817 -30.164 -4.639 15 H HIS 3 H HIS 3 8.254 -26.892 -5.686 16 HA HIS 3 HA HIS 3 10.999 -26.071 -5.020 17 HB2 HIS 3 2HB HIS 3 8.559 -24.509 -5.981 18 HB3 HIS 3 3HB HIS 3 10.078 -23.740 -5.529 19 HD1 HIS 3 HD1 HIS 3 11.541 -23.275 -7.460 20 HD2 HIS 3 HD2 HIS 3 9.091 -26.560 -8.166 21 HE1 HIS 3 HE1 HIS 3 12.035 -23.993 -9.813 22 HE2 HIS 3 HE2 HIS 3 10.653 -26.058 -10.164 23 H HIS 4 H HIS 4 7.692 -25.933 -3.811 24 HA HIS 4 HA HIS 4 8.203 -24.512 -1.395 25 HB2 HIS 4 2HB HIS 4 5.926 -24.629 -2.318 26 HB3 HIS 4 3HB HIS 4 5.929 -26.384 -2.195 27 HD1 HIS 4 HD1 HIS 4 5.600 -23.279 -0.107 28 HD2 HIS 4 HD2 HIS 4 5.276 -27.388 0.352 29 HE1 HIS 4 HE1 HIS 4 4.511 -23.619 2.124 30 HE2 HIS 4 HE2 HIS 4 4.556 -26.106 2.467 31 H HIS 5 H HIS 5 9.761 -25.337 -0.129 32 HA HIS 5 HA HIS 5 9.566 -28.143 0.815 33 HB2 HIS 5 2HB HIS 5 11.998 -26.368 0.363 34 HB3 HIS 5 3HB HIS 5 12.071 -27.762 1.439 35 HD1 HIS 5 HD1 HIS 5 12.458 -30.000 0.379 36 HD2 HIS 5 HD2 HIS 5 11.377 -27.113 -2.407 37 HE1 HIS 5 HE1 HIS 5 12.694 -31.100 -1.868 38 HE2 HIS 5 HE2 HIS 5 12.172 -29.297 -3.530 39 H HIS 6 H HIS 6 10.071 -28.502 3.026 40 HA HIS 6 HA HIS 6 8.736 -26.656 4.756 41 HB2 HIS 6 2HB HIS 6 10.210 -29.243 5.394 42 HB3 HIS 6 3HB HIS 6 9.255 -28.328 6.557 43 HD1 HIS 6 HD1 HIS 6 8.912 -31.274 4.846 44 HD2 HIS 6 HD2 HIS 6 6.480 -27.922 5.094 45 HE1 HIS 6 HE1 HIS 6 6.604 -32.078 4.300 46 HE2 HIS 6 HE2 HIS 6 5.176 -30.011 4.325 47 H HIS 7 H HIS 7 9.515 -25.501 6.459 48 HA HIS 7 HA HIS 7 10.841 -24.283 7.786 49 HB2 HIS 7 2HB HIS 7 11.746 -26.597 8.360 50 HB3 HIS 7 3HB HIS 7 13.060 -26.308 7.232 51 HD1 HIS 7 HD1 HIS 7 11.991 -25.716 10.696 52 HD2 HIS 7 HD2 HIS 7 14.913 -24.238 8.131 53 HE1 HIS 7 HE1 HIS 7 13.675 -24.589 12.172 54 HE2 HIS 7 HE2 HIS 7 15.490 -23.813 10.614 55 H HIS 8 H HIS 8 10.555 -22.785 5.902 56 HA HIS 8 HA HIS 8 13.012 -22.078 4.477 57 HB2 HIS 8 2HB HIS 8 11.690 -20.218 3.459 58 HB3 HIS 8 3HB HIS 8 10.962 -21.793 3.184 59 HD1 HIS 8 HD1 HIS 8 10.293 -18.462 4.632 60 HD2 HIS 8 HD2 HIS 8 8.493 -22.212 4.625 61 HE1 HIS 8 HE1 HIS 8 7.948 -18.088 5.441 62 HE2 HIS 8 HE2 HIS 8 6.878 -20.360 5.431 63 H SER 9 H SER 9 14.503 -21.367 5.862 64 HA SER 9 HA SER 9 13.931 -20.087 8.341 65 HB2 SER 9 2HB SER 9 16.457 -19.969 8.510 66 HB3 SER 9 3HB SER 9 15.832 -21.579 8.162 67 HG SER 9 HG SER 9 17.106 -21.544 6.498 68 H HIS 10 H HIS 10 16.049 -18.848 5.742 69 HA HIS 10 HA HIS 10 14.764 -16.189 5.857 70 HB2 HIS 10 2HB HIS 10 17.048 -15.117 5.696 71 HB3 HIS 10 3HB HIS 10 16.759 -15.923 7.232 72 HD1 HIS 10 HD1 HIS 10 19.222 -15.653 4.607 73 HD2 HIS 10 HD2 HIS 10 18.107 -18.592 7.329 74 HE1 HIS 10 HE1 HIS 10 21.193 -17.198 4.778 75 HE2 HIS 10 HE2 HIS 10 20.553 -18.867 6.542 76 H MET 11 H MET 11 14.456 -18.457 4.147 77 HA MET 11 HA MET 11 15.946 -18.161 1.692 78 HB2 MET 11 2HB MET 11 13.478 -19.848 2.332 79 HB3 MET 11 3HB MET 11 14.486 -20.013 0.900 80 HG2 MET 11 2HG MET 11 16.378 -20.728 2.304 81 HG3 MET 11 3HG MET 11 15.383 -20.518 3.744 82 HE1 MET 11 3HE MET 11 14.476 -23.742 0.534 83 HE2 MET 11 1HE MET 11 15.812 -22.602 0.388 84 HE3 MET 11 2HE MET 11 14.147 -22.031 0.269 85 H ALA 12 H ALA 12 14.869 -17.919 -0.384 86 HA ALA 12 HA ALA 12 12.165 -16.875 -0.568 87 HB1 ALA 12 3HB ALA 12 13.453 -14.793 -0.201 88 HB2 ALA 12 1HB ALA 12 12.804 -14.854 -1.839 89 HB3 ALA 12 2HB ALA 12 14.514 -15.192 -1.554 90 H GLY 13 H GLY 13 11.272 -17.452 -2.516 91 HA2 GLY 13 2HA GLY 13 12.482 -17.972 -4.958 92 HA3 GLY 13 3HA GLY 13 12.554 -19.488 -4.058 93 HA PRO 14 HA PRO 14 8.269 -20.137 -5.206 94 HB2 PRO 14 2HB PRO 14 7.465 -21.993 -3.423 95 HB3 PRO 14 3HB PRO 14 8.788 -22.345 -4.551 96 HG2 PRO 14 2HG PRO 14 8.943 -21.584 -1.660 97 HG3 PRO 14 3HG PRO 14 9.871 -22.810 -2.551 98 HD2 PRO 14 2HD PRO 14 10.794 -20.243 -1.985 99 HD3 PRO 14 3HD PRO 14 11.421 -21.275 -3.291 100 H SER 15 H SER 15 7.850 -17.811 -4.573 101 HA SER 15 HA SER 15 6.548 -16.191 -3.684 102 HB2 SER 15 2HB SER 15 4.165 -16.806 -3.423 103 HB3 SER 15 3HB SER 15 4.866 -17.576 -4.843 104 HG SER 15 HG SER 15 4.874 -18.956 -2.407 105 H ASN 16 H ASN 16 8.311 -16.571 -1.841 106 HA ASN 16 HA ASN 16 7.240 -17.219 0.782 107 HB2 ASN 16 2HB ASN 16 9.912 -16.070 -0.121 108 HB3 ASN 16 3HB ASN 16 9.512 -16.293 1.579 109 HD21 ASN 16 1HD2 ASN 16 8.682 -18.523 -1.076 110 HD22 ASN 16 2HD2 ASN 16 9.671 -19.810 -0.508 111 H VAL 17 H VAL 17 6.230 -14.863 -0.974 112 HA VAL 17 HA VAL 17 6.613 -12.462 0.478 113 HB VAL 17 HB VAL 17 4.232 -13.221 -1.285 114 HG11 VAL 17 1HG1 VAL 17 4.008 -10.786 -1.666 115 HG12 VAL 17 2HG1 VAL 17 5.340 -10.486 -0.546 116 HG13 VAL 17 3HG1 VAL 17 3.838 -11.200 0.040 117 HG21 VAL 17 3HG2 VAL 17 6.856 -11.954 -2.155 118 HG22 VAL 17 1HG2 VAL 17 5.446 -12.231 -3.184 119 HG23 VAL 17 2HG2 VAL 17 6.332 -13.601 -2.510 120 HA PRO 18 HA PRO 18 3.697 -13.494 3.902 121 HB2 PRO 18 2HB PRO 18 3.619 -10.962 5.031 122 HB3 PRO 18 3HB PRO 18 4.935 -12.115 5.327 123 HG2 PRO 18 2HG PRO 18 4.840 -9.813 3.416 124 HG3 PRO 18 3HG PRO 18 6.158 -10.330 4.493 125 HD2 PRO 18 2HD PRO 18 6.166 -10.916 1.847 126 HD3 PRO 18 3HD PRO 18 6.850 -12.031 3.054 127 H ALA 19 H ALA 19 1.492 -13.148 4.239 128 HA ALA 19 HA ALA 19 -0.071 -12.825 2.001 129 HB1 ALA 19 3HB ALA 19 -1.003 -12.576 4.878 130 HB2 ALA 19 1HB ALA 19 -0.769 -14.088 3.999 131 HB3 ALA 19 2HB ALA 19 -2.024 -12.955 3.488 132 H PHE 20 H PHE 20 0.628 -10.363 4.478 133 HA PHE 20 HA PHE 20 -1.046 -8.317 3.778 134 HB2 PHE 20 2HB PHE 20 0.507 -8.262 5.716 135 HB3 PHE 20 3HB PHE 20 1.877 -8.065 4.631 136 HD1 PHE 20 HD1 PHE 20 2.295 -5.886 3.529 137 HD2 PHE 20 HD2 PHE 20 -1.037 -6.393 6.154 138 HE1 PHE 20 HE1 PHE 20 1.994 -3.454 3.621 139 HE2 PHE 20 HE2 PHE 20 -1.328 -3.949 6.244 140 HZ PHE 20 HZ PHE 20 0.190 -2.481 4.977 141 H LEU 21 H LEU 21 2.142 -9.033 2.248 142 HA LEU 21 HA LEU 21 2.045 -6.611 0.623 143 HB2 LEU 21 2HB LEU 21 4.012 -8.937 0.652 144 HB3 LEU 21 3HB LEU 21 4.188 -7.519 -0.372 145 HG LEU 21 HG LEU 21 4.264 -7.496 2.672 146 HD11 LEU 21 1HD1 LEU 21 6.523 -7.245 0.651 147 HD12 LEU 21 2HD1 LEU 21 6.207 -8.634 1.695 148 HD13 LEU 21 3HD1 LEU 21 6.675 -7.092 2.404 149 HD21 LEU 21 3HD2 LEU 21 4.793 -5.238 0.698 150 HD22 LEU 21 1HD2 LEU 21 5.018 -5.157 2.448 151 HD23 LEU 21 2HD2 LEU 21 3.403 -5.370 1.778 152 H THR 22 H THR 22 1.485 -10.023 0.322 153 HA THR 22 HA THR 22 1.155 -10.392 -2.412 154 HB THR 22 HB THR 22 -0.414 -11.667 -0.119 155 HG1 THR 22 HG1 THR 22 2.125 -12.311 -1.243 156 HG21 THR 22 3HG2 THR 22 -1.326 -12.263 -2.316 157 HG22 THR 22 1HG2 THR 22 -0.527 -13.644 -1.564 158 HG23 THR 22 2HG2 THR 22 0.279 -12.755 -2.857 159 H LYS 23 H LYS 23 -1.285 -9.453 0.039 160 HA LYS 23 HA LYS 23 -3.432 -8.994 -1.800 161 HB2 LYS 23 2HB LYS 23 -2.986 -8.047 1.065 162 HB3 LYS 23 3HB LYS 23 -4.455 -7.702 0.168 163 HG2 LYS 23 2HG LYS 23 -3.546 -10.553 0.591 164 HG3 LYS 23 3HG LYS 23 -4.430 -9.686 1.838 165 HD2 LYS 23 2HD LYS 23 -6.091 -10.919 0.687 166 HD3 LYS 23 3HD LYS 23 -6.256 -9.277 0.076 167 HE2 LYS 23 2HE LYS 23 -6.473 -10.897 -1.743 168 HE3 LYS 23 3HE LYS 23 -5.017 -9.928 -1.964 169 HZ1 LYS 23 3HZ LYS 23 -3.692 -11.738 -1.150 170 HZ2 LYS 23 1HZ LYS 23 -4.680 -12.303 -2.400 171 HZ3 LYS 23 2HZ LYS 23 -5.063 -12.655 -0.791 172 H LEU 24 H LEU 24 -1.110 -6.849 -0.172 173 HA LEU 24 HA LEU 24 -2.102 -4.370 -0.877 174 HB2 LEU 24 2HB LEU 24 -0.428 -4.628 0.851 175 HB3 LEU 24 3HB LEU 24 0.738 -5.274 -0.293 176 HG LEU 24 HG LEU 24 0.850 -3.038 -1.414 177 HD11 LEU 24 1HD1 LEU 24 -0.099 -1.049 -0.318 178 HD12 LEU 24 2HD1 LEU 24 -0.953 -2.083 0.828 179 HD13 LEU 24 3HD1 LEU 24 -1.349 -2.151 -0.891 180 HD21 LEU 24 3HD2 LEU 24 2.178 -1.925 0.311 181 HD22 LEU 24 1HD2 LEU 24 2.504 -3.657 0.285 182 HD23 LEU 24 2HD2 LEU 24 1.483 -2.971 1.552 183 H TRP 25 H TRP 25 0.570 -6.100 -2.543 184 HA TRP 25 HA TRP 25 1.091 -4.250 -4.556 185 HB2 TRP 25 2HB TRP 25 2.567 -6.136 -4.030 186 HB3 TRP 25 3HB TRP 25 1.358 -7.286 -4.576 187 HD1 TRP 25 HD1 TRP 25 3.894 -4.716 -5.985 188 HE1 TRP 25 HE1 TRP 25 4.360 -5.328 -8.437 189 HE3 TRP 25 HE3 TRP 25 0.389 -8.404 -6.605 190 HZ2 TRP 25 HZ2 TRP 25 3.396 -7.137 -10.371 191 HZ3 TRP 25 HZ3 TRP 25 0.225 -9.524 -8.792 192 HH2 TRP 25 HH2 TRP 25 1.700 -8.896 -10.640 193 H THR 26 H THR 26 -1.138 -7.036 -4.608 194 HA THR 26 HA THR 26 -2.176 -6.630 -7.223 195 HB THR 26 HB THR 26 -3.529 -8.090 -4.904 196 HG1 THR 26 HG1 THR 26 -1.769 -9.283 -5.015 197 HG21 THR 26 3HG2 THR 26 -4.466 -9.532 -6.692 198 HG22 THR 26 1HG2 THR 26 -3.697 -8.522 -7.915 199 HG23 THR 26 2HG2 THR 26 -4.980 -7.857 -6.899 200 H LEU 27 H LEU 27 -2.996 -5.287 -4.084 201 HA LEU 27 HA LEU 27 -5.611 -4.304 -4.571 202 HB2 LEU 27 2HB LEU 27 -4.779 -4.642 -2.312 203 HB3 LEU 27 3HB LEU 27 -3.411 -3.585 -2.592 204 HG LEU 27 HG LEU 27 -4.945 -1.631 -2.665 205 HD11 LEU 27 1HD1 LEU 27 -7.260 -1.823 -2.043 206 HD12 LEU 27 2HD1 LEU 27 -7.123 -3.572 -1.881 207 HD13 LEU 27 3HD1 LEU 27 -6.952 -2.812 -3.465 208 HD21 LEU 27 3HD2 LEU 27 -5.179 -3.312 -0.143 209 HD22 LEU 27 1HD2 LEU 27 -5.445 -1.569 -0.252 210 HD23 LEU 27 2HD2 LEU 27 -3.843 -2.234 -0.559 211 H VAL 28 H VAL 28 -2.403 -2.788 -4.666 212 HA VAL 28 HA VAL 28 -3.143 -0.241 -5.604 213 HB VAL 28 HB VAL 28 -0.513 -1.681 -6.208 214 HG11 VAL 28 1HG1 VAL 28 -1.146 1.274 -5.931 215 HG12 VAL 28 2HG1 VAL 28 -0.845 0.411 -7.442 216 HG13 VAL 28 3HG1 VAL 28 0.444 0.579 -6.252 217 HG21 VAL 28 3HG2 VAL 28 -1.170 -0.074 -3.710 218 HG22 VAL 28 1HG2 VAL 28 0.400 -0.766 -4.122 219 HG23 VAL 28 2HG2 VAL 28 -0.968 -1.821 -3.781 220 H SER 29 H SER 29 -2.402 -3.262 -7.275 221 HA SER 29 HA SER 29 -2.372 -2.227 -9.955 222 HB2 SER 29 2HB SER 29 -2.665 -5.101 -8.955 223 HB3 SER 29 3HB SER 29 -2.262 -4.623 -10.607 224 HG SER 29 HG SER 29 -0.588 -5.100 -8.674 225 H ASP 30 H ASP 30 -4.899 -3.074 -7.766 226 HA ASP 30 HA ASP 30 -6.778 -4.226 -9.609 227 HB2 ASP 30 2HB ASP 30 -6.681 -4.784 -7.153 228 HB3 ASP 30 3HB ASP 30 -7.226 -3.160 -6.779 229 HA PRO 31 HA PRO 31 -8.300 -0.287 -11.193 230 HB2 PRO 31 2HB PRO 31 -10.472 -1.138 -12.613 231 HB3 PRO 31 3HB PRO 31 -8.809 -1.499 -13.119 232 HG2 PRO 31 2HG PRO 31 -10.732 -3.248 -11.619 233 HG3 PRO 31 3HG PRO 31 -9.706 -3.652 -13.016 234 HD2 PRO 31 2HD PRO 31 -8.992 -4.291 -10.469 235 HD3 PRO 31 3HD PRO 31 -7.787 -3.880 -11.711 236 H ASP 32 H ASP 32 -10.481 -2.334 -9.271 237 HA ASP 32 HA ASP 32 -12.610 -0.427 -8.944 238 HB2 ASP 32 2HB ASP 32 -13.130 -2.760 -8.595 239 HB3 ASP 32 3HB ASP 32 -11.827 -2.956 -7.437 240 H THR 33 H THR 33 -9.689 -1.225 -7.135 241 HA THR 33 HA THR 33 -10.362 0.709 -4.999 242 HB THR 33 HB THR 33 -8.326 -0.365 -3.832 243 HG1 THR 33 HG1 THR 33 -7.384 -1.451 -5.540 244 HG21 THR 33 3HG2 THR 33 -10.619 -0.893 -3.101 245 HG22 THR 33 1HG2 THR 33 -9.609 -2.342 -3.058 246 HG23 THR 33 2HG2 THR 33 -10.759 -2.109 -4.374 247 H ASP 34 H ASP 34 -8.777 0.677 -7.892 248 HA ASP 34 HA ASP 34 -6.341 2.002 -7.580 249 HB2 ASP 34 2HB ASP 34 -7.080 1.064 -9.722 250 HB3 ASP 34 3HB ASP 34 -8.423 2.193 -9.807 251 H ALA 35 H ALA 35 -9.607 3.217 -7.411 252 HA ALA 35 HA ALA 35 -9.207 5.981 -7.656 253 HB1 ALA 35 3HB ALA 35 -11.407 6.214 -6.576 254 HB2 ALA 35 1HB ALA 35 -11.335 4.529 -6.045 255 HB3 ALA 35 2HB ALA 35 -11.422 4.909 -7.764 256 H LEU 36 H LEU 36 -8.813 3.848 -4.849 257 HA LEU 36 HA LEU 36 -8.150 6.165 -3.118 258 HB2 LEU 36 2HB LEU 36 -9.131 3.401 -2.294 259 HB3 LEU 36 3HB LEU 36 -8.713 4.701 -1.190 260 HG LEU 36 HG LEU 36 -11.048 4.708 -3.146 261 HD11 LEU 36 1HD1 LEU 36 -12.463 4.654 -1.143 262 HD12 LEU 36 2HD1 LEU 36 -11.032 4.590 -0.113 263 HD13 LEU 36 3HD1 LEU 36 -11.402 3.246 -1.196 264 HD21 LEU 36 3HD2 LEU 36 -11.706 6.861 -2.102 265 HD22 LEU 36 1HD2 LEU 36 -10.158 6.981 -2.940 266 HD23 LEU 36 2HD2 LEU 36 -10.201 6.868 -1.181 267 H ILE 37 H ILE 37 -6.719 3.575 -4.783 268 HA ILE 37 HA ILE 37 -4.179 4.203 -3.585 269 HB ILE 37 HB ILE 37 -4.939 2.522 -1.995 270 HG12 ILE 37 2HG1 ILE 37 -2.757 1.306 -3.753 271 HG13 ILE 37 3HG1 ILE 37 -2.498 2.615 -2.602 272 HG21 ILE 37 1HG2 ILE 37 -5.207 0.547 -4.288 273 HG22 ILE 37 2HG2 ILE 37 -6.538 1.281 -3.395 274 HG23 ILE 37 3HG2 ILE 37 -5.427 0.191 -2.571 275 HD11 ILE 37 3HD1 ILE 37 -3.171 1.123 -0.768 276 HD12 ILE 37 1HD1 ILE 37 -1.787 0.508 -1.672 277 HD13 ILE 37 2HD1 ILE 37 -3.383 -0.192 -1.930 278 H CYS 38 H CYS 38 -2.934 4.525 -5.294 279 HA CYS 38 HA CYS 38 -3.027 2.715 -7.628 280 HB2 CYS 38 2HB CYS 38 -3.074 4.720 -9.127 281 HB3 CYS 38 3HB CYS 38 -4.540 4.557 -8.163 282 HG CYS 38 HG CYS 38 -4.139 7.208 -8.174 283 H TRP 39 H TRP 39 -1.116 2.627 -8.796 284 HA TRP 39 HA TRP 39 1.291 3.139 -7.287 285 HB2 TRP 39 2HB TRP 39 2.398 2.060 -9.421 286 HB3 TRP 39 3HB TRP 39 1.402 1.058 -8.374 287 HD1 TRP 39 HD1 TRP 39 -0.887 0.121 -9.361 288 HE1 TRP 39 HE1 TRP 39 -1.848 -0.028 -11.735 289 HE3 TRP 39 HE3 TRP 39 2.336 3.302 -11.760 290 HZ2 TRP 39 HZ2 TRP 39 -1.308 1.019 -14.285 291 HZ3 TRP 39 HZ3 TRP 39 2.042 3.674 -14.175 292 HH2 TRP 39 HH2 TRP 39 0.252 2.554 -15.414 293 H SER 40 H SER 40 3.074 4.362 -7.886 294 HA SER 40 HA SER 40 2.649 6.807 -9.307 295 HB2 SER 40 2HB SER 40 5.260 5.561 -8.318 296 HB3 SER 40 3HB SER 40 4.974 7.267 -8.666 297 HG SER 40 HG SER 40 4.878 6.692 -6.399 298 HA PRO 41 HA PRO 41 3.529 5.897 -13.598 299 HB2 PRO 41 2HB PRO 41 5.897 7.501 -14.017 300 HB3 PRO 41 3HB PRO 41 4.215 7.956 -14.331 301 HG2 PRO 41 2HG PRO 41 5.890 8.520 -11.924 302 HG3 PRO 41 3HG PRO 41 4.640 9.525 -12.695 303 HD2 PRO 41 2HD PRO 41 4.093 8.280 -10.421 304 HD3 PRO 41 3HD PRO 41 2.873 8.295 -11.717 305 H SER 42 H SER 42 6.568 5.909 -11.678 306 HA SER 42 HA SER 42 8.028 4.130 -13.361 307 HB2 SER 42 2HB SER 42 8.462 4.691 -10.389 308 HB3 SER 42 3HB SER 42 9.637 3.996 -11.501 309 HG SER 42 HG SER 42 9.474 6.464 -10.962 310 H GLY 43 H GLY 43 6.004 3.642 -10.482 311 HA2 GLY 43 2HA GLY 43 4.724 1.718 -10.011 312 HA3 GLY 43 3HA GLY 43 5.762 0.767 -11.063 313 H ASN 44 H ASN 44 7.418 2.843 -8.925 314 HA ASN 44 HA ASN 44 8.517 0.566 -7.436 315 HB2 ASN 44 2HB ASN 44 10.364 2.053 -6.848 316 HB3 ASN 44 3HB ASN 44 10.082 2.154 -8.581 317 HD21 ASN 44 1HD2 ASN 44 11.335 4.041 -6.668 318 HD22 ASN 44 2HD2 ASN 44 10.511 5.543 -6.903 319 H SER 45 H SER 45 6.055 2.702 -7.011 320 HA SER 45 HA SER 45 5.935 2.462 -4.138 321 HB2 SER 45 2HB SER 45 5.689 5.017 -3.890 322 HB3 SER 45 3HB SER 45 7.323 4.434 -4.195 323 HG SER 45 HG SER 45 7.290 5.273 -6.165 324 H PHE 46 H PHE 46 3.869 3.604 -3.344 325 HA PHE 46 HA PHE 46 1.764 3.838 -5.393 326 HB2 PHE 46 2HB PHE 46 0.238 2.361 -4.148 327 HB3 PHE 46 3HB PHE 46 1.668 1.484 -4.662 328 HD1 PHE 46 HD2 PHE 46 3.378 0.778 -2.966 329 HD2 PHE 46 HD1 PHE 46 -0.297 2.609 -1.773 330 HE1 PHE 46 HE2 PHE 46 3.703 -0.045 -0.673 331 HE2 PHE 46 HE1 PHE 46 0.039 1.779 0.519 332 HZ PHE 46 HZ PHE 46 2.039 0.453 1.070 333 H HIS 47 H HIS 47 -0.039 5.038 -4.715 334 HA HIS 47 HA HIS 47 0.386 6.819 -2.387 335 HB2 HIS 47 2HB HIS 47 -1.223 7.310 -4.946 336 HB3 HIS 47 3HB HIS 47 -1.031 8.459 -3.623 337 HD1 HIS 47 HD1 HIS 47 0.891 10.015 -3.799 338 HD2 HIS 47 HD2 HIS 47 1.305 6.783 -6.357 339 HE1 HIS 47 HE1 HIS 47 2.923 10.502 -5.163 340 HE2 HIS 47 HE2 HIS 47 3.275 8.434 -6.534 341 H VAL 48 H VAL 48 -1.400 7.193 -1.035 342 HA VAL 48 HA VAL 48 -3.814 5.519 -1.429 343 HB VAL 48 HB VAL 48 -2.513 6.163 1.268 344 HG11 VAL 48 1HG1 VAL 48 -4.927 4.440 0.626 345 HG12 VAL 48 2HG1 VAL 48 -4.948 6.014 1.425 346 HG13 VAL 48 3HG1 VAL 48 -4.194 4.633 2.220 347 HG21 VAL 48 3HG2 VAL 48 -1.151 4.516 0.066 348 HG22 VAL 48 1HG2 VAL 48 -2.573 3.506 -0.210 349 HG23 VAL 48 2HG2 VAL 48 -1.970 3.755 1.431 350 H PHE 49 H PHE 49 -5.665 6.607 -1.277 351 HA PHE 49 HA PHE 49 -5.665 9.487 -0.536 352 HB2 PHE 49 2HB PHE 49 -7.302 8.096 -2.713 353 HB3 PHE 49 3HB PHE 49 -7.413 9.799 -2.284 354 HD1 PHE 49 HD2 PHE 49 -5.224 11.209 -2.505 355 HD2 PHE 49 HD1 PHE 49 -5.789 7.418 -4.408 356 HE1 PHE 49 HE2 PHE 49 -3.422 11.734 -4.096 357 HE2 PHE 49 HE1 PHE 49 -3.979 7.955 -5.985 358 HZ PHE 49 HZ PHE 49 -2.799 10.107 -5.835 359 H ASP 50 H ASP 50 -7.449 10.241 0.548 360 HA ASP 50 HA ASP 50 -9.005 10.229 2.174 361 HB2 ASP 50 2HB ASP 50 -10.266 8.171 0.303 362 HB3 ASP 50 3HB ASP 50 -11.084 8.804 1.725 363 H GLN 51 H GLN 51 -7.240 9.302 3.523 364 HA GLN 51 HA GLN 51 -6.702 6.722 4.188 365 HB2 GLN 51 2HB GLN 51 -6.897 8.959 6.252 366 HB3 GLN 51 3HB GLN 51 -5.945 7.490 6.404 367 HG2 GLN 51 2HG GLN 51 -5.467 9.740 4.438 368 HG3 GLN 51 3HG GLN 51 -4.527 9.397 5.886 369 HE21 GLN 51 1HE2 GLN 51 -3.140 7.601 5.893 370 HE22 GLN 51 2HE2 GLN 51 -2.623 6.848 4.431 371 H GLY 52 H GLY 52 -9.370 8.607 5.484 372 HA2 GLY 52 2HA GLY 52 -10.346 6.774 7.423 373 HA3 GLY 52 3HA GLY 52 -11.248 8.101 6.694 374 H GLN 53 H GLN 53 -11.292 7.365 3.996 375 HA GLN 53 HA GLN 53 -13.505 5.524 4.050 376 HB2 GLN 53 2HB GLN 53 -13.500 7.485 2.560 377 HB3 GLN 53 3HB GLN 53 -12.088 6.875 1.711 378 HG2 GLN 53 2HG GLN 53 -14.150 6.554 0.408 379 HG3 GLN 53 3HG GLN 53 -13.390 5.015 0.808 380 HE21 GLN 53 1HE2 GLN 53 -15.342 3.918 0.462 381 HE22 GLN 53 2HE2 GLN 53 -16.650 3.992 1.583 382 H PHE 54 H PHE 54 -10.270 5.465 2.598 383 HA PHE 54 HA PHE 54 -10.113 2.926 1.543 384 HB2 PHE 54 2HB PHE 54 -8.378 4.641 1.217 385 HB3 PHE 54 3HB PHE 54 -7.993 4.641 2.930 386 HD1 PHE 54 HD2 PHE 54 -7.570 2.838 -0.265 387 HD2 PHE 54 HD1 PHE 54 -6.575 2.879 3.893 388 HE1 PHE 54 HE2 PHE 54 -5.776 1.207 -0.661 389 HE2 PHE 54 HE1 PHE 54 -4.780 1.253 3.477 390 HZ PHE 54 HZ PHE 54 -4.379 0.414 1.197 391 H ALA 55 H ALA 55 -9.307 3.962 4.864 392 HA ALA 55 HA ALA 55 -8.712 1.410 5.865 393 HB1 ALA 55 3HB ALA 55 -8.039 3.520 6.960 394 HB2 ALA 55 1HB ALA 55 -8.862 2.442 8.083 395 HB3 ALA 55 2HB ALA 55 -9.719 3.827 7.404 396 H LYS 56 H LYS 56 -11.768 3.085 5.530 397 HA LYS 56 HA LYS 56 -13.362 1.493 7.270 398 HB2 LYS 56 2HB LYS 56 -14.134 3.663 6.898 399 HB3 LYS 56 3HB LYS 56 -13.874 3.602 5.167 400 HG2 LYS 56 2HG LYS 56 -16.015 1.831 6.292 401 HG3 LYS 56 3HG LYS 56 -16.326 3.567 6.277 402 HD2 LYS 56 2HD LYS 56 -15.922 3.628 3.836 403 HD3 LYS 56 3HD LYS 56 -15.569 1.899 3.838 404 HE2 LYS 56 2HE LYS 56 -17.831 2.261 3.036 405 HE3 LYS 56 3HE LYS 56 -17.918 1.475 4.611 406 HZ1 LYS 56 3HZ LYS 56 -19.518 3.265 4.425 407 HZ2 LYS 56 1HZ LYS 56 -18.288 4.377 4.094 408 HZ3 LYS 56 2HZ LYS 56 -18.369 3.636 5.609 409 H GLU 57 H GLU 57 -12.995 1.445 3.678 410 HA GLU 57 HA GLU 57 -14.596 -1.058 3.600 411 HB2 GLU 57 2HB GLU 57 -14.889 -0.591 1.153 412 HB3 GLU 57 3HB GLU 57 -15.578 0.633 2.212 413 HG2 GLU 57 2HG GLU 57 -14.020 2.255 1.609 414 HG3 GLU 57 3HG GLU 57 -12.801 1.075 1.141 415 H VAL 58 H VAL 58 -11.457 0.243 2.527 416 HA VAL 58 HA VAL 58 -10.997 -1.934 0.676 417 HB VAL 58 HB VAL 58 -9.175 0.345 1.590 418 HG11 VAL 58 1HG1 VAL 58 -7.802 -1.514 0.805 419 HG12 VAL 58 2HG1 VAL 58 -7.776 -0.220 -0.391 420 HG13 VAL 58 3HG1 VAL 58 -8.763 -1.655 -0.671 421 HG21 VAL 58 3HG2 VAL 58 -10.837 0.033 -0.950 422 HG22 VAL 58 1HG2 VAL 58 -9.690 1.342 -0.639 423 HG23 VAL 58 2HG2 VAL 58 -11.129 1.170 0.366 424 H LEU 59 H LEU 59 -9.622 -0.848 3.801 425 HA LEU 59 HA LEU 59 -7.649 -2.838 3.980 426 HB2 LEU 59 2HB LEU 59 -8.932 -1.139 6.137 427 HB3 LEU 59 3HB LEU 59 -7.698 -2.330 6.517 428 HG LEU 59 HG LEU 59 -7.362 0.168 4.801 429 HD11 LEU 59 1HD1 LEU 59 -7.335 0.557 7.213 430 HD12 LEU 59 2HD1 LEU 59 -5.738 0.813 6.519 431 HD13 LEU 59 3HD1 LEU 59 -6.078 -0.666 7.423 432 HD21 LEU 59 3HD2 LEU 59 -6.088 -1.619 3.734 433 HD22 LEU 59 1HD2 LEU 59 -5.340 -2.057 5.274 434 HD23 LEU 59 2HD2 LEU 59 -4.995 -0.494 4.529 435 HA PRO 60 HA PRO 60 -10.679 -5.682 6.536 436 HB2 PRO 60 2HB PRO 60 -13.385 -5.228 6.424 437 HB3 PRO 60 3HB PRO 60 -12.342 -4.484 7.650 438 HG2 PRO 60 2HG PRO 60 -13.336 -3.294 5.078 439 HG3 PRO 60 3HG PRO 60 -13.335 -2.591 6.705 440 HD2 PRO 60 2HD PRO 60 -11.439 -1.953 4.906 441 HD3 PRO 60 3HD PRO 60 -11.052 -2.100 6.637 442 H LYS 61 H LYS 61 -11.226 -4.488 3.357 443 HA LYS 61 HA LYS 61 -12.607 -6.788 2.300 444 HB2 LYS 61 2HB LYS 61 -12.791 -4.505 1.318 445 HB3 LYS 61 3HB LYS 61 -11.100 -4.574 0.844 446 HG2 LYS 61 2HG LYS 61 -11.564 -6.382 -0.724 447 HG3 LYS 61 3HG LYS 61 -13.243 -6.470 -0.184 448 HD2 LYS 61 2HD LYS 61 -13.609 -4.142 -1.019 449 HD3 LYS 61 3HD LYS 61 -11.939 -4.103 -1.592 450 HE2 LYS 61 2HE LYS 61 -12.403 -5.906 -3.181 451 HE3 LYS 61 3HE LYS 61 -14.047 -6.069 -2.556 452 HZ1 LYS 61 3HZ LYS 61 -14.009 -4.789 -4.599 453 HZ2 LYS 61 1HZ LYS 61 -12.954 -3.656 -3.920 454 HZ3 LYS 61 2HZ LYS 61 -14.525 -3.816 -3.318 455 H TYR 62 H TYR 62 -9.260 -5.556 1.982 456 HA TYR 62 HA TYR 62 -8.354 -8.107 0.820 457 HB2 TYR 62 2HB TYR 62 -7.088 -5.354 1.076 458 HB3 TYR 62 3HB TYR 62 -6.098 -6.761 0.691 459 HD1 TYR 62 HD2 TYR 62 -9.352 -5.218 -0.469 460 HD2 TYR 62 HD1 TYR 62 -5.715 -7.175 -1.576 461 HE1 TYR 62 HE2 TYR 62 -9.968 -5.022 -2.845 462 HE2 TYR 62 HE1 TYR 62 -6.336 -6.985 -3.942 463 HH TYR 62 HH TYR 62 -8.801 -4.976 -5.045 464 H PHE 63 H PHE 63 -7.629 -6.052 3.595 465 HA PHE 63 HA PHE 63 -6.067 -8.202 4.896 466 HB2 PHE 63 2HB PHE 63 -6.373 -5.284 5.790 467 HB3 PHE 63 3HB PHE 63 -5.156 -6.448 6.316 468 HD1 PHE 63 HD2 PHE 63 -3.389 -7.225 4.650 469 HD2 PHE 63 HD1 PHE 63 -6.014 -3.959 3.822 470 HE1 PHE 63 HE2 PHE 63 -1.916 -6.484 2.827 471 HE2 PHE 63 HE1 PHE 63 -4.539 -3.235 1.992 472 HZ PHE 63 HZ PHE 63 -2.485 -4.498 1.493 473 H LYS 64 H LYS 64 -6.576 -7.787 7.608 474 HA LYS 64 HA LYS 64 -9.472 -8.457 7.742 475 HB2 LYS 64 2HB LYS 64 -7.133 -9.613 9.336 476 HB3 LYS 64 3HB LYS 64 -8.827 -9.994 9.623 477 HG2 LYS 64 2HG LYS 64 -8.984 -10.939 7.316 478 HG3 LYS 64 3HG LYS 64 -7.266 -10.605 7.098 479 HD2 LYS 64 2HD LYS 64 -7.643 -12.975 7.659 480 HD3 LYS 64 3HD LYS 64 -6.701 -12.167 8.913 481 HE2 LYS 64 2HE LYS 64 -8.440 -13.693 9.833 482 HE3 LYS 64 3HE LYS 64 -8.653 -12.024 10.358 483 HZ1 LYS 64 3HZ LYS 64 -10.417 -11.752 8.777 484 HZ2 LYS 64 1HZ LYS 64 -10.738 -13.128 9.703 485 HZ3 LYS 64 2HZ LYS 64 -10.155 -13.287 8.123 486 H HIS 65 H HIS 65 -8.667 -5.762 8.069 487 HA HIS 65 HA HIS 65 -9.505 -5.156 10.765 488 HB2 HIS 65 2HB HIS 65 -7.476 -3.828 11.383 489 HB3 HIS 65 3HB HIS 65 -7.104 -5.540 11.200 490 HD1 HIS 65 HD1 HIS 65 -6.337 -2.182 9.737 491 HD2 HIS 65 HD2 HIS 65 -5.459 -6.172 8.957 492 HE1 HIS 65 HE1 HIS 65 -4.421 -2.151 8.126 493 HE2 HIS 65 HE2 HIS 65 -3.802 -4.567 7.801 494 H ASN 66 H ASN 66 -9.882 -2.803 11.067 495 HA ASN 66 HA ASN 66 -10.312 -1.397 8.471 496 HB2 ASN 66 2HB ASN 66 -11.682 -0.719 11.121 497 HB3 ASN 66 3HB ASN 66 -11.993 -0.004 9.543 498 HD21 ASN 66 1HD2 ASN 66 -13.414 -0.971 8.177 499 HD22 ASN 66 2HD2 ASN 66 -14.268 -2.430 8.543 500 H ASN 67 H ASN 67 -8.412 -1.364 11.305 501 HA ASN 67 HA ASN 67 -8.057 1.480 11.562 502 HB2 ASN 67 2HB ASN 67 -7.845 0.029 13.520 503 HB3 ASN 67 3HB ASN 67 -6.517 -0.852 12.775 504 HD21 ASN 67 1HD2 ASN 67 -7.458 2.213 14.224 505 HD22 ASN 67 2HD2 ASN 67 -5.852 2.766 14.543 506 H MET 68 H MET 68 -6.713 2.766 10.464 507 HA MET 68 HA MET 68 -5.124 1.772 8.280 508 HB2 MET 68 2HB MET 68 -6.447 3.871 8.117 509 HB3 MET 68 3HB MET 68 -5.410 4.628 9.321 510 HG2 MET 68 2HG MET 68 -4.859 5.351 7.058 511 HG3 MET 68 3HG MET 68 -3.513 4.441 7.760 512 HE1 MET 68 3HE MET 68 -4.059 5.120 4.630 513 HE2 MET 68 1HE MET 68 -3.525 3.612 3.888 514 HE3 MET 68 2HE MET 68 -2.594 4.322 5.207 515 H ALA 69 H ALA 69 -4.415 3.070 11.485 516 HA ALA 69 HA ALA 69 -1.668 3.573 11.256 517 HB1 ALA 69 3HB ALA 69 -1.587 3.391 13.713 518 HB2 ALA 69 1HB ALA 69 -3.177 2.620 13.717 519 HB3 ALA 69 2HB ALA 69 -3.008 4.294 13.190 520 H SER 70 H SER 70 -3.391 0.558 11.847 521 HA SER 70 HA SER 70 -1.251 -1.174 12.436 522 HB2 SER 70 2HB SER 70 -3.600 -1.758 12.860 523 HB3 SER 70 3HB SER 70 -3.962 -1.721 11.135 524 HG SER 70 HG SER 70 -1.952 -3.428 12.136 525 H PHE 71 H PHE 71 -2.801 -0.268 9.359 526 HA PHE 71 HA PHE 71 -1.451 -2.005 7.596 527 HB2 PHE 71 2HB PHE 71 -3.492 -0.909 6.894 528 HB3 PHE 71 3HB PHE 71 -2.841 0.688 7.218 529 HD1 PHE 71 HD1 PHE 71 -2.513 -2.256 4.926 530 HD2 PHE 71 HD2 PHE 71 -1.783 1.920 5.470 531 HE1 PHE 71 HE1 PHE 71 -1.875 -2.052 2.561 532 HE2 PHE 71 HE2 PHE 71 -1.142 2.115 3.100 533 HZ PHE 71 HZ PHE 71 -1.176 0.123 1.649 534 H VAL 72 H VAL 72 -0.861 1.410 8.387 535 HA VAL 72 HA VAL 72 1.487 1.825 6.908 536 HB VAL 72 HB VAL 72 0.551 3.225 9.458 537 HG11 VAL 72 1HG1 VAL 72 1.889 5.169 8.707 538 HG12 VAL 72 2HG1 VAL 72 2.526 4.216 7.366 539 HG13 VAL 72 3HG1 VAL 72 2.904 3.760 9.027 540 HG21 VAL 72 3HG2 VAL 72 -0.497 4.883 7.947 541 HG22 VAL 72 1HG2 VAL 72 -1.165 3.270 7.694 542 HG23 VAL 72 2HG2 VAL 72 -0.000 3.931 6.546 543 H ARG 73 H ARG 73 1.022 0.649 10.244 544 HA ARG 73 HA ARG 73 3.670 0.771 11.187 545 HB2 ARG 73 2HB ARG 73 1.687 0.412 12.619 546 HB3 ARG 73 3HB ARG 73 1.457 -1.189 11.929 547 HG2 ARG 73 2HG ARG 73 3.574 -1.944 12.936 548 HG3 ARG 73 3HG ARG 73 3.859 -0.326 13.588 549 HD2 ARG 73 2HD ARG 73 1.652 -2.269 14.339 550 HD3 ARG 73 3HD ARG 73 2.940 -1.646 15.378 551 HE ARG 73 HE ARG 73 1.860 0.579 15.185 552 HH11 ARG 73 1HH1 ARG 73 -0.113 -2.260 14.571 553 HH12 ARG 73 2HH1 ARG 73 -1.607 -1.464 14.937 554 HH21 ARG 73 1HH2 ARG 73 -0.097 1.659 15.547 555 HH22 ARG 73 2HH2 ARG 73 -1.596 0.786 15.493 556 H GLN 74 H GLN 74 1.931 -1.836 9.498 557 HA GLN 74 HA GLN 74 3.906 -3.839 9.561 558 HB2 GLN 74 2HB GLN 74 1.905 -3.282 7.325 559 HB3 GLN 74 3HB GLN 74 2.768 -4.793 7.569 560 HG2 GLN 74 2HG GLN 74 0.691 -3.615 9.428 561 HG3 GLN 74 3HG GLN 74 0.434 -4.939 8.299 562 HE21 GLN 74 1HE2 GLN 74 1.366 -6.971 8.764 563 HE22 GLN 74 2HE2 GLN 74 1.867 -7.395 10.361 564 H LEU 75 H LEU 75 3.263 -1.246 7.211 565 HA LEU 75 HA LEU 75 5.248 -1.843 5.330 566 HB2 LEU 75 2HB LEU 75 3.837 0.769 6.009 567 HB3 LEU 75 3HB LEU 75 4.871 0.571 4.600 568 HG LEU 75 HG LEU 75 2.402 -1.142 5.089 569 HD11 LEU 75 1HD1 LEU 75 2.609 1.326 3.349 570 HD12 LEU 75 2HD1 LEU 75 1.706 1.189 4.859 571 HD13 LEU 75 3HD1 LEU 75 1.224 0.238 3.457 572 HD21 LEU 75 3HD2 LEU 75 4.114 -0.733 2.614 573 HD22 LEU 75 1HD2 LEU 75 2.612 -1.660 2.680 574 HD23 LEU 75 2HD2 LEU 75 4.016 -2.193 3.605 575 H ASN 76 H ASN 76 5.369 0.316 8.191 576 HA ASN 76 HA ASN 76 7.991 1.267 7.872 577 HB2 ASN 76 2HB ASN 76 6.382 0.785 10.414 578 HB3 ASN 76 3HB ASN 76 7.991 1.487 10.452 579 HD21 ASN 76 1HD2 ASN 76 4.657 2.085 9.765 580 HD22 ASN 76 2HD2 ASN 76 4.812 3.770 9.430 581 H MET 77 H MET 77 6.867 -1.802 9.249 582 HA MET 77 HA MET 77 9.497 -2.746 10.007 583 HB2 MET 77 2HB MET 77 6.880 -4.272 9.649 584 HB3 MET 77 3HB MET 77 8.355 -4.968 10.303 585 HG2 MET 77 2HG MET 77 8.259 -3.267 12.146 586 HG3 MET 77 3HG MET 77 6.685 -2.771 11.528 587 HE1 MET 77 3HE MET 77 4.645 -6.166 11.984 588 HE2 MET 77 1HE MET 77 5.563 -5.702 10.550 589 HE3 MET 77 2HE MET 77 4.553 -4.516 11.383 590 H TYR 78 H TYR 78 7.607 -2.760 7.088 591 HA TYR 78 HA TYR 78 9.298 -4.686 5.692 592 HB2 TYR 78 2HB TYR 78 6.962 -2.953 4.791 593 HB3 TYR 78 3HB TYR 78 7.880 -3.955 3.676 594 HD1 TYR 78 HD1 TYR 78 8.222 -6.508 4.742 595 HD2 TYR 78 HD2 TYR 78 4.898 -3.904 5.376 596 HE1 TYR 78 HE1 TYR 78 6.788 -8.439 5.217 597 HE2 TYR 78 HE2 TYR 78 3.474 -5.840 5.865 598 HH TYR 78 HH TYR 78 3.401 -8.229 5.405 599 H GLY 79 H GLY 79 9.559 -1.424 6.499 600 HA2 GLY 79 2HA GLY 79 11.465 -0.138 6.150 601 HA3 GLY 79 3HA GLY 79 11.907 -1.147 4.786 602 H PHE 80 H PHE 80 8.641 -0.052 4.647 603 HA PHE 80 HA PHE 80 9.144 1.604 2.330 604 HB2 PHE 80 2HB PHE 80 6.603 0.930 3.892 605 HB3 PHE 80 3HB PHE 80 6.603 2.076 2.557 606 HD1 PHE 80 HD1 PHE 80 7.650 -1.470 3.292 607 HD2 PHE 80 HD2 PHE 80 6.062 1.275 0.424 608 HE1 PHE 80 HE1 PHE 80 7.252 -3.324 1.721 609 HE2 PHE 80 HE2 PHE 80 5.671 -0.587 -1.135 610 HZ PHE 80 HZ PHE 80 6.264 -2.886 -0.490 611 H ARG 81 H ARG 81 8.902 3.868 2.214 612 HA ARG 81 HA ARG 81 8.886 5.304 4.820 613 HB2 ARG 81 2HB ARG 81 11.018 5.498 3.451 614 HB3 ARG 81 3HB ARG 81 10.082 6.281 2.181 615 HG2 ARG 81 2HG ARG 81 9.418 8.044 3.906 616 HG3 ARG 81 3HG ARG 81 10.612 7.322 4.983 617 HD2 ARG 81 2HD ARG 81 12.349 7.756 3.200 618 HD3 ARG 81 3HD ARG 81 11.119 8.637 2.296 619 HE ARG 81 HE ARG 81 12.634 9.565 4.535 620 HH11 ARG 81 1HH1 ARG 81 9.465 9.975 3.036 621 HH12 ARG 81 2HH1 ARG 81 9.247 11.565 3.693 622 HH21 ARG 81 1HH2 ARG 81 12.339 11.654 5.332 623 HH22 ARG 81 2HH2 ARG 81 10.869 12.514 4.991 624 H LYS 82 H LYS 82 7.272 6.703 5.176 625 HA LYS 82 HA LYS 82 5.171 7.213 3.282 626 HB2 LYS 82 2HB LYS 82 4.527 7.029 5.585 627 HB3 LYS 82 3HB LYS 82 5.772 8.151 6.119 628 HG2 LYS 82 2HG LYS 82 3.483 9.095 6.260 629 HG3 LYS 82 3HG LYS 82 4.554 10.030 5.222 630 HD2 LYS 82 2HD LYS 82 3.509 8.926 3.222 631 HD3 LYS 82 3HD LYS 82 2.377 8.109 4.305 632 HE2 LYS 82 2HE LYS 82 2.663 11.119 4.033 633 HE3 LYS 82 3HE LYS 82 1.421 10.147 3.248 634 HZ1 LYS 82 3HZ LYS 82 0.592 9.512 5.412 635 HZ2 LYS 82 1HZ LYS 82 0.624 11.194 5.263 636 HZ3 LYS 82 2HZ LYS 82 1.804 10.408 6.174 637 H VAL 83 H VAL 83 5.071 8.809 1.856 638 HA VAL 83 HA VAL 83 6.582 11.324 2.151 639 HB VAL 83 HB VAL 83 6.240 9.737 -0.462 640 HG11 VAL 83 1HG1 VAL 83 7.643 11.484 -1.504 641 HG12 VAL 83 2HG1 VAL 83 7.660 12.390 0.011 642 HG13 VAL 83 3HG1 VAL 83 6.143 12.152 -0.860 643 HG21 VAL 83 3HG2 VAL 83 8.789 10.236 1.135 644 HG22 VAL 83 1HG2 VAL 83 8.702 9.460 -0.450 645 HG23 VAL 83 2HG2 VAL 83 7.955 8.693 0.950 646 H VAL 84 H VAL 84 5.083 12.965 2.165 647 HA VAL 84 HA VAL 84 2.392 12.426 1.040 648 HB VAL 84 HB VAL 84 2.287 12.831 3.442 649 HG11 VAL 84 1HG1 VAL 84 3.611 15.521 3.014 650 HG12 VAL 84 2HG1 VAL 84 4.339 14.118 3.798 651 HG13 VAL 84 3HG1 VAL 84 2.948 14.916 4.536 652 HG21 VAL 84 3HG2 VAL 84 0.642 14.676 3.483 653 HG22 VAL 84 1HG2 VAL 84 0.413 13.627 2.083 654 HG23 VAL 84 2HG2 VAL 84 1.190 15.200 1.890 655 H HIS 85 H HIS 85 2.039 13.415 -0.884 656 HA HIS 85 HA HIS 85 3.779 15.646 -1.722 657 HB2 HIS 85 2HB HIS 85 1.849 13.910 -3.302 658 HB3 HIS 85 3HB HIS 85 2.763 15.241 -4.005 659 HD1 HIS 85 HD1 HIS 85 5.144 14.784 -4.663 660 HD2 HIS 85 HD2 HIS 85 3.506 11.656 -2.474 661 HE1 HIS 85 HE1 HIS 85 6.827 12.934 -4.768 662 HE2 HIS 85 HE2 HIS 85 5.886 11.121 -3.315 663 H ILE 86 H ILE 86 0.623 15.270 -0.449 664 HA ILE 86 HA ILE 86 -0.234 17.933 -1.340 665 HB ILE 86 HB ILE 86 -1.544 15.923 0.560 666 HG12 ILE 86 2HG1 ILE 86 -1.699 15.311 -1.819 667 HG13 ILE 86 3HG1 ILE 86 -3.283 15.773 -1.215 668 HG21 ILE 86 1HG2 ILE 86 -3.515 17.442 0.628 669 HG22 ILE 86 2HG2 ILE 86 -2.593 18.679 -0.228 670 HG23 ILE 86 3HG2 ILE 86 -2.096 18.163 1.386 671 HD11 ILE 86 3HD1 ILE 86 -3.043 17.970 -2.293 672 HD12 ILE 86 1HD1 ILE 86 -2.907 16.642 -3.445 673 HD13 ILE 86 2HD1 ILE 86 -1.458 17.485 -2.904 674 H GLU 87 H GLU 87 0.652 19.635 -0.378 675 HA GLU 87 HA GLU 87 1.946 19.545 2.195 676 HB2 GLU 87 2HB GLU 87 1.349 21.938 0.390 677 HB3 GLU 87 3HB GLU 87 2.401 21.962 1.805 678 HG2 GLU 87 2HG GLU 87 3.845 20.231 0.685 679 HG3 GLU 87 3HG GLU 87 2.842 20.393 -0.752 680 H GLN 88 H GLN 88 0.454 19.017 3.699 681 HA GLN 88 HA GLN 88 -2.264 19.912 3.699 682 HB2 GLN 88 2HB GLN 88 -0.762 18.412 5.889 683 HB3 GLN 88 3HB GLN 88 -2.511 18.507 5.699 684 HG2 GLN 88 2HG GLN 88 -2.359 17.246 3.592 685 HG3 GLN 88 3HG GLN 88 -0.607 17.160 3.764 686 HE21 GLN 88 1HE2 GLN 88 -3.667 15.952 4.949 687 HE22 GLN 88 2HE2 GLN 88 -3.019 14.621 5.842 688 H GLY 89 H GLY 89 -2.795 21.919 4.258 689 HA2 GLY 89 2HA GLY 89 -2.553 22.896 6.899 690 HA3 GLY 89 3HA GLY 89 -1.388 23.723 5.868 691 H GLY 90 H GLY 90 -2.304 25.728 5.822 692 HA2 GLY 90 2HA GLY 90 -5.147 26.150 5.262 693 HA3 GLY 90 3HA GLY 90 -3.934 27.375 5.606 694 H LEU 91 H LEU 91 -4.464 24.874 3.099 695 HA LEU 91 HA LEU 91 -3.897 26.859 0.962 696 HB2 LEU 91 2HB LEU 91 -3.061 23.927 1.113 697 HB3 LEU 91 3HB LEU 91 -2.867 24.932 -0.314 698 HG LEU 91 HG LEU 91 -1.454 25.308 2.357 699 HD11 LEU 91 1HD1 LEU 91 0.598 24.762 1.143 700 HD12 LEU 91 2HD1 LEU 91 -0.320 24.511 -0.343 701 HD13 LEU 91 3HD1 LEU 91 -0.561 23.438 1.036 702 HD21 LEU 91 3HD2 LEU 91 -1.244 27.002 -0.152 703 HD22 LEU 91 1HD2 LEU 91 -0.199 27.144 1.266 704 HD23 LEU 91 2HD2 LEU 91 -1.918 27.499 1.401 705 H VAL 92 H VAL 92 -4.903 26.379 -1.088 706 HA VAL 92 HA VAL 92 -7.645 25.443 -0.817 707 HB VAL 92 HB VAL 92 -6.956 27.599 -1.988 708 HG11 VAL 92 1HG1 VAL 92 -6.197 27.531 -4.324 709 HG12 VAL 92 2HG1 VAL 92 -6.046 25.775 -4.232 710 HG13 VAL 92 3HG1 VAL 92 -5.018 26.802 -3.231 711 HG21 VAL 92 3HG2 VAL 92 -8.664 27.449 -3.781 712 HG22 VAL 92 1HG2 VAL 92 -9.215 26.729 -2.267 713 HG23 VAL 92 2HG2 VAL 92 -8.695 25.694 -3.597 714 H LYS 93 H LYS 93 -4.920 23.795 -1.234 715 HA LYS 93 HA LYS 93 -5.148 22.023 -3.365 716 HB2 LYS 93 2HB LYS 93 -3.954 21.761 -0.566 717 HB3 LYS 93 3HB LYS 93 -3.777 20.495 -1.774 718 HG2 LYS 93 2HG LYS 93 -2.786 23.350 -2.063 719 HG3 LYS 93 3HG LYS 93 -1.790 21.942 -1.675 720 HD2 LYS 93 2HD LYS 93 -2.340 20.928 -3.850 721 HD3 LYS 93 3HD LYS 93 -3.391 22.291 -4.239 722 HE2 LYS 93 2HE LYS 93 -1.481 23.801 -4.298 723 HE3 LYS 93 3HE LYS 93 -0.405 22.509 -3.756 724 HZ1 LYS 93 3HZ LYS 93 -0.200 22.780 -6.112 725 HZ2 LYS 93 1HZ LYS 93 -1.864 22.619 -6.344 726 HZ3 LYS 93 2HZ LYS 93 -0.952 21.299 -5.818 727 HA PRO 94 HA PRO 94 -8.602 19.343 -2.783 728 HB2 PRO 94 2HB PRO 94 -7.595 16.753 -3.066 729 HB3 PRO 94 3HB PRO 94 -7.903 17.861 -4.417 730 HG2 PRO 94 2HG PRO 94 -5.334 17.341 -2.972 731 HG3 PRO 94 3HG PRO 94 -5.634 17.434 -4.726 732 HD2 PRO 94 2HD PRO 94 -4.571 19.523 -3.469 733 HD3 PRO 94 3HD PRO 94 -5.836 19.794 -4.691 734 H GLU 95 H GLU 95 -9.701 17.880 -1.407 735 HA GLU 95 HA GLU 95 -8.932 18.361 1.349 736 HB2 GLU 95 2HB GLU 95 -11.281 17.691 1.848 737 HB3 GLU 95 3HB GLU 95 -11.182 18.957 0.635 738 HG2 GLU 95 2HG GLU 95 -11.686 17.415 -1.149 739 HG3 GLU 95 3HG GLU 95 -11.558 16.031 -0.069 740 H ARG 96 H ARG 96 -7.488 16.223 -0.100 741 HA ARG 96 HA ARG 96 -8.128 13.863 1.559 742 HB2 ARG 96 2HB ARG 96 -7.429 12.446 -0.353 743 HB3 ARG 96 3HB ARG 96 -8.814 13.449 -0.771 744 HG2 ARG 96 2HG ARG 96 -7.274 15.044 -1.931 745 HG3 ARG 96 3HG ARG 96 -5.927 13.953 -1.587 746 HD2 ARG 96 2HD ARG 96 -6.723 13.612 -3.865 747 HD3 ARG 96 3HD ARG 96 -7.051 12.176 -2.892 748 HE ARG 96 HE ARG 96 -9.229 14.092 -3.076 749 HH11 ARG 96 1HH1 ARG 96 -7.847 11.154 -4.433 750 HH12 ARG 96 2HH1 ARG 96 -9.335 10.654 -5.168 751 HH21 ARG 96 1HH2 ARG 96 -11.154 13.443 -4.084 752 HH22 ARG 96 2HH2 ARG 96 -11.207 11.951 -4.973 753 H ASP 97 H ASP 97 -6.285 12.479 1.958 754 HA ASP 97 HA ASP 97 -3.694 13.844 2.164 755 HB2 ASP 97 2HB ASP 97 -4.687 11.113 3.111 756 HB3 ASP 97 3HB ASP 97 -2.996 11.587 3.219 757 H ASP 98 H ASP 98 -1.967 13.343 0.835 758 HA ASP 98 HA ASP 98 -2.252 11.101 -1.096 759 HB2 ASP 98 2HB ASP 98 -1.703 13.306 -2.145 760 HB3 ASP 98 3HB ASP 98 -0.266 13.426 -1.130 761 H THR 99 H THR 99 -1.510 9.321 -0.088 762 HA THR 99 HA THR 99 0.780 9.515 1.768 763 HB THR 99 HB THR 99 -1.530 7.531 1.663 764 HG1 THR 99 HG1 THR 99 -2.544 9.219 2.462 765 HG21 THR 99 3HG2 THR 99 0.502 8.050 3.845 766 HG22 THR 99 1HG2 THR 99 0.465 6.622 2.809 767 HG23 THR 99 2HG2 THR 99 -0.855 6.926 3.941 768 H GLU 100 H GLU 100 2.502 9.111 0.369 769 HA GLU 100 HA GLU 100 2.358 6.807 -1.470 770 HB2 GLU 100 2HB GLU 100 2.995 8.912 -2.574 771 HB3 GLU 100 3HB GLU 100 4.324 9.149 -1.439 772 HG2 GLU 100 2HG GLU 100 5.341 6.990 -2.305 773 HG3 GLU 100 3HG GLU 100 4.074 6.939 -3.523 774 H PHE 101 H PHE 101 3.126 4.982 -0.558 775 HA PHE 101 HA PHE 101 5.498 5.073 1.189 776 HB2 PHE 101 2HB PHE 101 3.583 2.805 0.513 777 HB3 PHE 101 3HB PHE 101 4.992 2.636 1.555 778 HD1 PHE 101 HD1 PHE 101 5.103 4.032 3.691 779 HD2 PHE 101 HD2 PHE 101 1.507 3.593 1.413 780 HE1 PHE 101 HE1 PHE 101 3.775 4.738 5.637 781 HE2 PHE 101 HE2 PHE 101 0.190 4.295 3.369 782 HZ PHE 101 HZ PHE 101 1.323 4.874 5.477 783 H GLN 102 H GLN 102 7.422 4.733 0.350 784 HA GLN 102 HA GLN 102 7.713 3.661 -2.401 785 HB2 GLN 102 2HB GLN 102 9.787 5.040 -2.510 786 HB3 GLN 102 3HB GLN 102 8.361 6.019 -2.191 787 HG2 GLN 102 2HG GLN 102 8.963 6.116 0.213 788 HG3 GLN 102 3HG GLN 102 10.392 5.138 -0.119 789 HE21 GLN 102 1HE2 GLN 102 11.795 6.728 0.640 790 HE22 GLN 102 2HE2 GLN 102 12.084 8.209 -0.202 791 H HIS 103 H HIS 103 9.268 2.087 -2.836 792 HA HIS 103 HA HIS 103 11.211 1.250 -0.863 793 HB2 HIS 103 2HB HIS 103 8.933 0.100 -0.239 794 HB3 HIS 103 3HB HIS 103 9.203 -0.908 -1.651 795 HD1 HIS 103 HD1 HIS 103 10.958 -2.789 -1.414 796 HD2 HIS 103 HD2 HIS 103 10.715 -0.283 1.883 797 HE1 HIS 103 HE1 HIS 103 12.349 -3.883 0.385 798 HE2 HIS 103 HE2 HIS 103 12.046 -2.428 2.406 799 HA PRO 104 HA PRO 104 13.198 0.393 -4.830 800 HB2 PRO 104 2HB PRO 104 15.470 -0.891 -3.932 801 HB3 PRO 104 3HB PRO 104 15.224 0.858 -3.781 802 HG2 PRO 104 2HG PRO 104 14.775 -1.280 -1.717 803 HG3 PRO 104 3HG PRO 104 15.607 0.287 -1.551 804 HD2 PRO 104 2HD PRO 104 13.062 -0.027 -0.722 805 HD3 PRO 104 3HD PRO 104 13.603 1.496 -1.467 806 H CYS 105 H CYS 105 12.453 -2.180 -2.563 807 HA CYS 105 HA CYS 105 12.803 -4.287 -4.593 808 HB2 CYS 105 2HB CYS 105 11.942 -4.664 -1.708 809 HB3 CYS 105 3HB CYS 105 12.611 -5.869 -2.800 810 HG CYS 105 HG CYS 105 14.998 -3.926 -2.841 811 H PHE 106 H PHE 106 10.468 -2.113 -4.091 812 HA PHE 106 HA PHE 106 8.234 -4.006 -4.589 813 HB2 PHE 106 2HB PHE 106 7.955 -2.503 -2.592 814 HB3 PHE 106 3HB PHE 106 8.159 -1.096 -3.622 815 HD1 PHE 106 HD1 PHE 106 5.885 -3.896 -2.754 816 HD2 PHE 106 HD2 PHE 106 6.299 -0.251 -4.956 817 HE1 PHE 106 HE1 PHE 106 3.449 -3.821 -3.092 818 HE2 PHE 106 HE2 PHE 106 3.862 -0.185 -5.289 819 HZ PHE 106 HZ PHE 106 2.436 -1.966 -4.357 820 H LEU 107 H LEU 107 8.488 -4.245 -6.839 821 HA LEU 107 HA LEU 107 8.036 -1.802 -8.464 822 HB2 LEU 107 2HB LEU 107 9.444 -4.383 -9.244 823 HB3 LEU 107 3HB LEU 107 9.047 -3.104 -10.374 824 HG LEU 107 HG LEU 107 11.004 -2.870 -8.054 825 HD11 LEU 107 1HD1 LEU 107 11.545 -3.008 -11.043 826 HD12 LEU 107 2HD1 LEU 107 11.872 -4.290 -9.874 827 HD13 LEU 107 3HD1 LEU 107 12.755 -2.767 -9.780 828 HD21 LEU 107 3HD2 LEU 107 9.923 -0.722 -8.471 829 HD22 LEU 107 1HD2 LEU 107 10.301 -0.835 -10.192 830 HD23 LEU 107 2HD2 LEU 107 11.600 -0.675 -9.007 831 H ARG 108 H ARG 108 6.685 -2.093 -10.326 832 HA ARG 108 HA ARG 108 4.203 -3.213 -9.499 833 HB2 ARG 108 2HB ARG 108 4.456 -1.017 -10.654 834 HB3 ARG 108 3HB ARG 108 4.927 -1.848 -12.128 835 HG2 ARG 108 2HG ARG 108 2.553 -1.029 -12.095 836 HG3 ARG 108 3HG ARG 108 2.713 -2.759 -12.411 837 HD2 ARG 108 2HD ARG 108 0.864 -2.084 -10.800 838 HD3 ARG 108 3HD ARG 108 1.975 -3.326 -10.214 839 HE ARG 108 HE ARG 108 2.647 -0.596 -9.489 840 HH11 ARG 108 1HH1 ARG 108 0.942 -3.506 -8.476 841 HH12 ARG 108 2HH1 ARG 108 0.977 -3.083 -6.796 842 HH21 ARG 108 1HH2 ARG 108 2.733 -0.073 -7.288 843 HH22 ARG 108 2HH2 ARG 108 2.000 -1.123 -6.122 844 H GLY 109 H GLY 109 6.704 -4.372 -11.625 845 HA2 GLY 109 2HA GLY 109 4.965 -6.639 -12.485 846 HA3 GLY 109 3HA GLY 109 6.249 -5.953 -13.474 847 H GLN 110 H GLN 110 6.652 -6.372 -10.003 848 HA GLN 110 HA GLN 110 8.426 -8.708 -10.410 849 HB2 GLN 110 2HB GLN 110 9.174 -6.145 -8.946 850 HB3 GLN 110 3HB GLN 110 10.135 -7.611 -8.932 851 HG2 GLN 110 2HG GLN 110 9.495 -6.086 -11.461 852 HG3 GLN 110 3HG GLN 110 10.923 -5.769 -10.478 853 HE21 GLN 110 1HE2 GLN 110 12.568 -7.321 -10.407 854 HE22 GLN 110 2HE2 GLN 110 12.708 -8.555 -11.604 855 H GLU 111 H GLU 111 6.483 -9.700 -9.494 856 HA GLU 111 HA GLU 111 5.677 -9.407 -6.814 857 HB2 GLU 111 2HB GLU 111 4.524 -11.516 -7.067 858 HB3 GLU 111 3HB GLU 111 4.375 -10.634 -8.573 859 HG2 GLU 111 2HG GLU 111 6.253 -12.955 -8.059 860 HG3 GLU 111 3HG GLU 111 4.728 -13.048 -8.922 861 H GLN 112 H GLN 112 8.393 -11.117 -8.233 862 HA GLN 112 HA GLN 112 8.948 -12.802 -5.968 863 HB2 GLN 112 2HB GLN 112 10.699 -13.730 -7.181 864 HB3 GLN 112 3HB GLN 112 9.617 -13.216 -8.460 865 HG2 GLN 112 2HG GLN 112 12.042 -11.620 -7.578 866 HG3 GLN 112 3HG GLN 112 12.088 -12.832 -8.851 867 HE21 GLN 112 1HE2 GLN 112 12.762 -11.317 -10.373 868 HE22 GLN 112 2HE2 GLN 112 11.707 -10.110 -11.015 869 H LEU 113 H LEU 113 9.501 -9.508 -6.517 870 HA LEU 113 HA LEU 113 11.837 -9.358 -4.748 871 HB2 LEU 113 2HB LEU 113 10.347 -7.242 -6.329 872 HB3 LEU 113 3HB LEU 113 11.606 -6.846 -5.171 873 HG LEU 113 HG LEU 113 11.976 -8.462 -7.727 874 HD11 LEU 113 1HD1 LEU 113 13.365 -6.566 -8.459 875 HD12 LEU 113 2HD1 LEU 113 12.997 -5.701 -6.966 876 HD13 LEU 113 3HD1 LEU 113 11.713 -6.051 -8.123 877 HD21 LEU 113 3HD2 LEU 113 14.029 -7.745 -5.600 878 HD22 LEU 113 1HD2 LEU 113 14.395 -8.477 -7.166 879 HD23 LEU 113 2HD2 LEU 113 13.438 -9.363 -5.982 880 H LEU 114 H LEU 114 8.438 -9.329 -4.500 881 HA LEU 114 HA LEU 114 8.108 -7.710 -2.172 882 HB2 LEU 114 2HB LEU 114 6.415 -10.065 -3.077 883 HB3 LEU 114 3HB LEU 114 5.932 -8.835 -1.923 884 HG LEU 114 HG LEU 114 6.461 -8.329 -4.874 885 HD11 LEU 114 1HD1 LEU 114 3.814 -8.562 -3.402 886 HD12 LEU 114 2HD1 LEU 114 4.482 -9.741 -4.535 887 HD13 LEU 114 3HD1 LEU 114 4.032 -8.137 -5.103 888 HD21 LEU 114 3HD2 LEU 114 6.913 -6.343 -3.507 889 HD22 LEU 114 1HD2 LEU 114 5.325 -6.481 -2.746 890 HD23 LEU 114 2HD2 LEU 114 5.454 -6.119 -4.469 891 H GLU 115 H GLU 115 9.079 -11.036 -2.708 892 HA GLU 115 HA GLU 115 9.205 -11.667 0.152 893 HB2 GLU 115 2HB GLU 115 10.014 -13.904 -0.602 894 HB3 GLU 115 3HB GLU 115 8.450 -13.436 -1.251 895 HG2 GLU 115 2HG GLU 115 9.818 -12.660 -3.344 896 HG3 GLU 115 3HG GLU 115 11.086 -13.680 -2.673 897 H ASN 116 H ASN 116 11.184 -10.007 -1.942 898 HA ASN 116 HA ASN 116 13.574 -10.412 -0.277 899 HB2 ASN 116 2HB ASN 116 12.965 -8.556 -2.617 900 HB3 ASN 116 3HB ASN 116 14.442 -8.430 -1.669 901 HD21 ASN 116 1HD2 ASN 116 12.596 -10.599 -3.749 902 HD22 ASN 116 2HD2 ASN 116 13.953 -11.516 -4.278 903 H ILE 117 H ILE 117 10.660 -8.592 -0.332 904 HA ILE 117 HA ILE 117 11.575 -6.528 1.545 905 HB ILE 117 HB ILE 117 8.674 -7.105 0.728 906 HG12 ILE 117 2HG1 ILE 117 10.538 -5.076 -0.574 907 HG13 ILE 117 3HG1 ILE 117 9.966 -6.562 -1.318 908 HG21 ILE 117 1HG2 ILE 117 8.964 -5.781 2.790 909 HG22 ILE 117 2HG2 ILE 117 8.239 -4.816 1.509 910 HG23 ILE 117 3HG2 ILE 117 9.944 -4.604 1.909 911 HD11 ILE 117 3HD1 ILE 117 7.662 -5.724 -1.190 912 HD12 ILE 117 1HD1 ILE 117 8.720 -4.682 -2.141 913 HD13 ILE 117 2HD1 ILE 117 8.267 -4.212 -0.504 914 H LYS 118 H LYS 118 11.914 -7.378 3.569 915 HA LYS 118 HA LYS 118 10.145 -9.540 4.562 916 HB2 LYS 118 2HB LYS 118 13.067 -9.017 5.264 917 HB3 LYS 118 3HB LYS 118 12.072 -10.277 5.970 918 HG2 LYS 118 2HG LYS 118 12.701 -10.175 3.006 919 HG3 LYS 118 3HG LYS 118 13.745 -10.972 4.175 920 HD2 LYS 118 2HD LYS 118 12.461 -12.742 3.312 921 HD3 LYS 118 3HD LYS 118 11.655 -12.362 4.827 922 HE2 LYS 118 2HE LYS 118 9.918 -11.123 3.604 923 HE3 LYS 118 3HE LYS 118 10.744 -11.446 2.080 924 HZ1 LYS 118 3HZ LYS 118 10.374 -13.820 2.444 925 HZ2 LYS 118 1HZ LYS 118 8.909 -12.978 2.426 926 HZ3 LYS 118 2HZ LYS 118 9.566 -13.493 3.891 927 H ARG 119 H ARG 119 9.717 -9.540 6.818 928 HA ARG 119 HA ARG 119 9.623 -6.834 8.034 929 HB2 ARG 119 2HB ARG 119 7.724 -8.034 9.471 930 HB3 ARG 119 3HB ARG 119 7.366 -7.381 7.879 931 HG2 ARG 119 2HG ARG 119 7.505 -9.580 6.883 932 HG3 ARG 119 3HG ARG 119 8.027 -10.290 8.410 933 HD2 ARG 119 2HD ARG 119 5.352 -8.903 8.061 934 HD3 ARG 119 3HD ARG 119 5.592 -10.634 7.798 935 HE ARG 119 HE ARG 119 6.367 -10.752 10.159 936 HH11 ARG 119 1HH1 ARG 119 4.215 -8.145 9.199 937 HH12 ARG 119 2HH1 ARG 119 3.582 -7.925 10.798 938 HH21 ARG 119 1HH2 ARG 119 5.521 -10.465 12.227 939 HH22 ARG 119 2HH2 ARG 119 4.325 -9.249 12.528 940 H LYS 120 H LYS 120 9.884 -10.323 8.926 941 HA LYS 120 HA LYS 120 12.257 -10.106 10.397 942 HB2 LYS 120 2HB LYS 120 11.433 -10.395 12.741 943 HB3 LYS 120 3HB LYS 120 11.019 -8.827 12.066 944 HG2 LYS 120 2HG LYS 120 8.689 -9.678 11.624 945 HG3 LYS 120 3HG LYS 120 9.139 -11.188 12.427 946 HD2 LYS 120 2HD LYS 120 7.924 -9.692 13.969 947 HD3 LYS 120 3HD LYS 120 9.579 -9.971 14.521 948 HE2 LYS 120 2HE LYS 120 10.262 -7.785 13.626 949 HE3 LYS 120 3HE LYS 120 8.630 -7.506 13.012 950 HZ1 LYS 120 3HZ LYS 120 9.053 -6.378 15.124 951 HZ2 LYS 120 1HZ LYS 120 9.329 -7.862 15.882 952 HZ3 LYS 120 2HZ LYS 120 7.798 -7.499 15.261 953 H VAL 121 H VAL 121 12.961 -12.118 11.216 954 HA VAL 121 HA VAL 121 11.574 -14.460 10.149 955 HB VAL 121 HB VAL 121 14.041 -14.126 9.807 956 HG11 VAL 121 1HG1 VAL 121 15.642 -14.577 11.623 957 HG12 VAL 121 2HG1 VAL 121 14.316 -14.672 12.783 958 HG13 VAL 121 3HG1 VAL 121 14.664 -13.149 11.962 959 HG21 VAL 121 3HG2 VAL 121 13.063 -16.357 9.581 960 HG22 VAL 121 1HG2 VAL 121 13.314 -16.669 11.300 961 HG23 VAL 121 2HG2 VAL 121 14.700 -16.464 10.226 962 H THR 122 H THR 122 11.878 -12.807 13.149 963 HA THR 122 HA THR 122 11.335 -15.005 14.927 964 HB THR 122 HB THR 122 10.914 -13.129 16.614 965 HG1 THR 122 HG1 THR 122 11.670 -11.022 15.811 966 HG21 THR 122 3HG2 THR 122 13.553 -13.010 15.095 967 HG22 THR 122 1HG2 THR 122 13.161 -14.147 16.389 968 HG23 THR 122 2HG2 THR 122 13.276 -12.421 16.734 969 H SER 123 H SER 123 9.378 -13.276 12.793 970 HA SER 123 HA SER 123 6.971 -14.638 13.844 971 HB2 SER 123 2HB SER 123 6.782 -12.158 14.270 972 HB3 SER 123 3HB SER 123 7.019 -11.856 12.551 973 HG SER 123 HG SER 123 4.851 -13.203 13.797 974 H VAL 124 H VAL 124 5.406 -13.969 11.406 975 HA VAL 124 HA VAL 124 6.437 -15.611 9.369 976 HB VAL 124 HB VAL 124 4.079 -15.026 9.310 977 HG11 VAL 124 1HG1 VAL 124 3.215 -12.780 8.807 978 HG12 VAL 124 2HG1 VAL 124 4.855 -12.133 8.838 979 HG13 VAL 124 3HG1 VAL 124 4.142 -12.796 10.308 980 HG21 VAL 124 3HG2 VAL 124 5.094 -15.544 7.124 981 HG22 VAL 124 1HG2 VAL 124 5.451 -13.837 6.859 982 HG23 VAL 124 2HG2 VAL 124 3.775 -14.389 6.927 983 H SER 125 H SER 125 7.878 -15.253 7.737 984 HA SER 125 HA SER 125 9.699 -13.045 8.061 985 HB2 SER 125 2HB SER 125 11.044 -14.250 6.263 986 HB3 SER 125 3HB SER 125 10.724 -15.187 7.720 987 HG SER 125 HG SER 125 8.884 -15.422 5.639 Start of MODEL 2 1 H1 MET 1 1H MET 1 -9.162 -32.638 1.452 2 H2 MET 1 2H MET 1 -10.574 -33.460 1.021 3 H3 MET 1 3H MET 1 -9.228 -34.322 1.572 4 HA MET 1 HA MET 1 -10.795 -32.375 3.149 5 HB2 MET 1 2HB MET 1 -11.659 -34.303 4.417 6 HB3 MET 1 3HB MET 1 -12.083 -34.438 2.718 7 HG2 MET 1 2HG MET 1 -9.831 -35.944 4.065 8 HG3 MET 1 3HG MET 1 -11.426 -36.598 3.692 9 HE1 MET 1 3HE MET 1 -9.002 -38.382 1.114 10 HE2 MET 1 1HE MET 1 -10.192 -38.646 2.387 11 HE3 MET 1 2HE MET 1 -8.630 -37.924 2.776 12 H GLY 2 H GLY 2 -10.016 -31.924 5.194 13 HA2 GLY 2 2HA GLY 2 -8.509 -32.774 7.047 14 HA3 GLY 2 3HA GLY 2 -7.259 -32.865 5.810 15 H HIS 3 H HIS 3 -9.735 -30.390 6.420 16 HA HIS 3 HA HIS 3 -7.914 -28.193 6.219 17 HB2 HIS 3 2HB HIS 3 -10.324 -28.031 5.594 18 HB3 HIS 3 3HB HIS 3 -10.781 -28.279 7.275 19 HD1 HIS 3 HD1 HIS 3 -10.783 -26.227 8.803 20 HD2 HIS 3 HD2 HIS 3 -9.141 -25.466 5.052 21 HE1 HIS 3 HE1 HIS 3 -10.459 -23.734 8.690 22 HE2 HIS 3 HE2 HIS 3 -9.380 -23.314 6.466 23 H HIS 4 H HIS 4 -6.929 -27.045 7.802 24 HA HIS 4 HA HIS 4 -6.192 -26.234 9.754 25 HB2 HIS 4 2HB HIS 4 -8.640 -25.841 10.235 26 HB3 HIS 4 3HB HIS 4 -8.680 -27.379 11.090 27 HD1 HIS 4 HD1 HIS 4 -7.742 -27.422 13.466 28 HD2 HIS 4 HD2 HIS 4 -7.138 -23.779 11.565 29 HE1 HIS 4 HE1 HIS 4 -6.976 -25.847 15.257 30 HE2 HIS 4 HE2 HIS 4 -6.782 -23.616 14.115 31 H HIS 5 H HIS 5 -4.560 -27.838 9.356 32 HA HIS 5 HA HIS 5 -3.989 -29.409 11.765 33 HB2 HIS 5 2HB HIS 5 -3.756 -30.532 8.923 34 HB3 HIS 5 3HB HIS 5 -3.039 -31.290 10.347 35 HD1 HIS 5 HD1 HIS 5 -6.065 -31.266 8.353 36 HD2 HIS 5 HD2 HIS 5 -5.113 -32.100 12.313 37 HE1 HIS 5 HE1 HIS 5 -8.051 -32.489 9.281 38 HE2 HIS 5 HE2 HIS 5 -7.447 -33.000 11.665 39 H HIS 6 H HIS 6 -1.476 -30.291 11.246 40 HA HIS 6 HA HIS 6 0.006 -27.948 10.188 41 HB2 HIS 6 2HB HIS 6 0.686 -29.817 12.478 42 HB3 HIS 6 3HB HIS 6 1.916 -28.828 11.694 43 HD1 HIS 6 HD1 HIS 6 0.828 -28.550 14.714 44 HD2 HIS 6 HD2 HIS 6 -0.122 -26.094 11.490 45 HE1 HIS 6 HE1 HIS 6 0.163 -26.339 15.709 46 HE2 HIS 6 HE2 HIS 6 -0.339 -24.859 13.747 47 H HIS 7 H HIS 7 -0.275 -28.816 8.129 48 HA HIS 7 HA HIS 7 1.642 -30.918 7.344 49 HB2 HIS 7 2HB HIS 7 -0.585 -31.039 6.288 50 HB3 HIS 7 3HB HIS 7 -0.483 -29.362 5.775 51 HD1 HIS 7 HD1 HIS 7 1.358 -28.849 3.884 52 HD2 HIS 7 HD2 HIS 7 0.420 -32.858 4.468 53 HE1 HIS 7 HE1 HIS 7 2.177 -30.039 1.844 54 HE2 HIS 7 HE2 HIS 7 1.429 -32.411 2.129 55 H HIS 8 H HIS 8 3.631 -30.262 6.528 56 HA HIS 8 HA HIS 8 4.513 -27.625 6.943 57 HB2 HIS 8 2HB HIS 8 6.662 -28.312 6.010 58 HB3 HIS 8 3HB HIS 8 6.034 -29.623 6.995 59 HD1 HIS 8 HD1 HIS 8 5.552 -31.856 5.816 60 HD2 HIS 8 HD2 HIS 8 6.819 -28.858 3.216 61 HE1 HIS 8 HE1 HIS 8 6.061 -33.004 3.645 62 HE2 HIS 8 HE2 HIS 8 6.671 -31.162 2.057 63 H SER 9 H SER 9 4.997 -25.935 5.529 64 HA SER 9 HA SER 9 3.343 -25.721 3.183 65 HB2 SER 9 2HB SER 9 3.742 -23.809 4.737 66 HB3 SER 9 3HB SER 9 5.439 -23.787 4.260 67 HG SER 9 HG SER 9 4.189 -22.259 3.103 68 H HIS 10 H HIS 10 4.242 -24.946 1.087 69 HA HIS 10 HA HIS 10 6.272 -26.750 0.110 70 HB2 HIS 10 2HB HIS 10 4.553 -24.633 -1.226 71 HB3 HIS 10 3HB HIS 10 5.801 -25.508 -2.106 72 HD1 HIS 10 HD1 HIS 10 4.584 -27.089 -3.561 73 HD2 HIS 10 HD2 HIS 10 2.978 -27.044 0.277 74 HE1 HIS 10 HE1 HIS 10 2.765 -28.820 -3.568 75 HE2 HIS 10 HE2 HIS 10 1.853 -28.818 -1.227 76 H MET 11 H MET 11 8.058 -25.970 -1.307 77 HA MET 11 HA MET 11 9.760 -24.220 0.269 78 HB2 MET 11 2HB MET 11 10.353 -25.822 -2.259 79 HB3 MET 11 3HB MET 11 11.554 -25.032 -1.247 80 HG2 MET 11 2HG MET 11 9.794 -27.348 -0.407 81 HG3 MET 11 3HG MET 11 11.484 -27.454 -0.877 82 HE1 MET 11 3HE MET 11 9.040 -25.777 1.819 83 HE2 MET 11 1HE MET 11 9.861 -26.378 3.259 84 HE3 MET 11 2HE MET 11 9.194 -27.514 2.087 85 H ALA 12 H ALA 12 11.501 -23.200 -1.697 86 HA ALA 12 HA ALA 12 10.229 -20.847 -2.663 87 HB1 ALA 12 3HB ALA 12 12.418 -20.319 -3.648 88 HB2 ALA 12 1HB ALA 12 12.958 -21.984 -3.398 89 HB3 ALA 12 2HB ALA 12 12.632 -20.943 -2.012 90 H GLY 13 H GLY 13 8.495 -21.728 -3.872 91 HA2 GLY 13 2HA GLY 13 9.067 -22.241 -6.704 92 HA3 GLY 13 3HA GLY 13 8.185 -23.501 -5.838 93 HA PRO 14 HA PRO 14 4.558 -20.599 -5.777 94 HB2 PRO 14 2HB PRO 14 4.114 -21.448 -2.933 95 HB3 PRO 14 3HB PRO 14 3.011 -21.576 -4.319 96 HG2 PRO 14 2HG PRO 14 4.158 -23.755 -3.265 97 HG3 PRO 14 3HG PRO 14 3.899 -23.614 -5.021 98 HD2 PRO 14 2HD PRO 14 6.434 -23.153 -3.443 99 HD3 PRO 14 3HD PRO 14 6.204 -24.040 -4.969 100 H SER 15 H SER 15 4.604 -18.434 -5.169 101 HA SER 15 HA SER 15 7.003 -17.427 -4.129 102 HB2 SER 15 2HB SER 15 4.369 -16.057 -4.736 103 HB3 SER 15 3HB SER 15 5.844 -15.188 -4.300 104 HG SER 15 HG SER 15 6.577 -16.884 -6.114 105 H ASN 16 H ASN 16 7.653 -16.780 -2.226 106 HA ASN 16 HA ASN 16 6.093 -17.444 0.165 107 HB2 ASN 16 2HB ASN 16 9.024 -16.692 -0.253 108 HB3 ASN 16 3HB ASN 16 8.330 -17.088 1.315 109 HD21 ASN 16 1HD2 ASN 16 7.839 -18.716 -1.882 110 HD22 ASN 16 2HD2 ASN 16 8.451 -20.243 -1.339 111 H VAL 17 H VAL 17 5.580 -15.009 -1.533 112 HA VAL 17 HA VAL 17 6.339 -12.636 -0.276 113 HB VAL 17 HB VAL 17 3.827 -13.249 -1.912 114 HG11 VAL 17 1HG1 VAL 17 5.025 -10.539 -1.215 115 HG12 VAL 17 2HG1 VAL 17 3.476 -11.177 -0.664 116 HG13 VAL 17 3HG1 VAL 17 3.715 -10.797 -2.371 117 HG21 VAL 17 3HG2 VAL 17 5.908 -13.720 -3.142 118 HG22 VAL 17 1HG2 VAL 17 6.515 -12.099 -2.779 119 HG23 VAL 17 2HG2 VAL 17 5.105 -12.307 -3.826 120 HA PRO 18 HA PRO 18 4.035 -12.822 3.664 121 HB2 PRO 18 2HB PRO 18 4.137 -9.810 3.263 122 HB3 PRO 18 3HB PRO 18 4.562 -10.770 4.700 123 HG2 PRO 18 2HG PRO 18 6.487 -9.767 3.185 124 HG3 PRO 18 3HG PRO 18 6.632 -11.418 3.836 125 HD2 PRO 18 2HD PRO 18 5.932 -10.547 1.043 126 HD3 PRO 18 3HD PRO 18 6.931 -11.915 1.590 127 H ALA 19 H ALA 19 1.794 -12.788 4.145 128 HA ALA 19 HA ALA 19 -0.112 -12.616 2.158 129 HB1 ALA 19 3HB ALA 19 -0.428 -13.796 4.288 130 HB2 ALA 19 1HB ALA 19 -1.773 -12.700 3.968 131 HB3 ALA 19 2HB ALA 19 -0.531 -12.257 5.143 132 H PHE 20 H PHE 20 0.738 -10.132 4.583 133 HA PHE 20 HA PHE 20 -0.884 -8.053 3.933 134 HB2 PHE 20 2HB PHE 20 0.750 -7.995 5.790 135 HB3 PHE 20 3HB PHE 20 2.084 -7.896 4.645 136 HD1 PHE 20 HD2 PHE 20 -0.954 -6.069 5.841 137 HD2 PHE 20 HD1 PHE 20 2.804 -5.744 3.830 138 HE1 PHE 20 HE2 PHE 20 -1.177 -3.620 5.807 139 HE2 PHE 20 HE1 PHE 20 2.569 -3.297 3.795 140 HZ PHE 20 HZ PHE 20 0.581 -2.233 4.781 141 H LEU 21 H LEU 21 2.143 -8.936 2.216 142 HA LEU 21 HA LEU 21 2.062 -6.523 0.578 143 HB2 LEU 21 2HB LEU 21 4.000 -8.867 0.652 144 HB3 LEU 21 3HB LEU 21 4.174 -7.502 -0.443 145 HG LEU 21 HG LEU 21 4.301 -7.338 2.601 146 HD11 LEU 21 1HD1 LEU 21 6.518 -7.059 0.546 147 HD12 LEU 21 2HD1 LEU 21 6.274 -8.426 1.634 148 HD13 LEU 21 3HD1 LEU 21 6.681 -6.844 2.291 149 HD21 LEU 21 3HD2 LEU 21 4.970 -4.988 2.275 150 HD22 LEU 21 1HD2 LEU 21 3.346 -5.287 1.653 151 HD23 LEU 21 2HD2 LEU 21 4.705 -5.144 0.536 152 H THR 22 H THR 22 1.270 -9.892 0.318 153 HA THR 22 HA THR 22 0.942 -10.181 -2.446 154 HB THR 22 HB THR 22 -0.579 -11.536 -0.160 155 HG1 THR 22 HG1 THR 22 1.833 -11.693 -0.273 156 HG21 THR 22 3HG2 THR 22 -0.929 -13.380 -1.727 157 HG22 THR 22 1HG2 THR 22 -0.122 -12.470 -3.002 158 HG23 THR 22 2HG2 THR 22 -1.659 -11.898 -2.346 159 H LYS 23 H LYS 23 -1.437 -9.387 0.104 160 HA LYS 23 HA LYS 23 -3.607 -8.916 -1.686 161 HB2 LYS 23 2HB LYS 23 -3.214 -8.174 1.234 162 HB3 LYS 23 3HB LYS 23 -4.713 -7.899 0.363 163 HG2 LYS 23 2HG LYS 23 -3.521 -10.674 0.647 164 HG3 LYS 23 3HG LYS 23 -4.567 -9.966 1.872 165 HD2 LYS 23 2HD LYS 23 -6.030 -11.285 0.581 166 HD3 LYS 23 3HD LYS 23 -6.303 -9.652 -0.012 167 HE2 LYS 23 2HE LYS 23 -6.249 -11.223 -1.870 168 HE3 LYS 23 3HE LYS 23 -4.856 -10.151 -1.967 169 HZ1 LYS 23 3HZ LYS 23 -4.848 -12.936 -0.938 170 HZ2 LYS 23 1HZ LYS 23 -3.502 -11.919 -0.986 171 HZ3 LYS 23 2HZ LYS 23 -4.232 -12.427 -2.424 172 H LEU 24 H LEU 24 -1.302 -6.774 -0.003 173 HA LEU 24 HA LEU 24 -2.292 -4.300 -0.802 174 HB2 LEU 24 2HB LEU 24 -0.579 -4.534 0.927 175 HB3 LEU 24 3HB LEU 24 0.571 -5.159 -0.245 176 HG LEU 24 HG LEU 24 0.645 -2.949 -1.374 177 HD11 LEU 24 1HD1 LEU 24 -1.249 -1.989 0.789 178 HD12 LEU 24 2HD1 LEU 24 -1.591 -2.126 -0.938 179 HD13 LEU 24 3HD1 LEU 24 -0.400 -0.962 -0.370 180 HD21 LEU 24 3HD2 LEU 24 1.875 -1.714 0.356 181 HD22 LEU 24 1HD2 LEU 24 2.288 -3.428 0.378 182 HD23 LEU 24 2HD2 LEU 24 1.206 -2.766 1.606 183 H TRP 25 H TRP 25 0.191 -6.334 -2.430 184 HA TRP 25 HA TRP 25 0.759 -4.654 -4.585 185 HB2 TRP 25 2HB TRP 25 2.049 -6.693 -3.919 186 HB3 TRP 25 3HB TRP 25 0.762 -7.700 -4.565 187 HD1 TRP 25 HD1 TRP 25 3.403 -5.122 -5.815 188 HE1 TRP 25 HE1 TRP 25 4.061 -5.768 -8.205 189 HE3 TRP 25 HE3 TRP 25 0.087 -8.959 -6.584 190 HZ2 TRP 25 HZ2 TRP 25 3.288 -7.635 -10.172 191 HZ3 TRP 25 HZ3 TRP 25 0.116 -10.124 -8.758 192 HH2 TRP 25 HH2 TRP 25 1.686 -9.473 -10.517 193 H THR 26 H THR 26 -1.624 -7.307 -4.382 194 HA THR 26 HA THR 26 -2.814 -7.119 -6.917 195 HB THR 26 HB THR 26 -4.068 -7.979 -4.263 196 HG1 THR 26 HG1 THR 26 -2.085 -9.083 -5.115 197 HG21 THR 26 3HG2 THR 26 -4.926 -8.683 -7.097 198 HG22 THR 26 1HG2 THR 26 -5.816 -7.641 -5.982 199 HG23 THR 26 2HG2 THR 26 -5.610 -9.355 -5.614 200 H LEU 27 H LEU 27 -3.497 -5.426 -3.890 201 HA LEU 27 HA LEU 27 -5.902 -4.121 -4.492 202 HB2 LEU 27 2HB LEU 27 -5.220 -4.436 -2.229 203 HB3 LEU 27 3HB LEU 27 -3.652 -3.709 -2.506 204 HG LEU 27 HG LEU 27 -4.684 -1.481 -2.643 205 HD11 LEU 27 1HD1 LEU 27 -7.302 -2.878 -2.070 206 HD12 LEU 27 2HD1 LEU 27 -6.838 -2.105 -3.586 207 HD13 LEU 27 3HD1 LEU 27 -7.039 -1.135 -2.134 208 HD21 LEU 27 3HD2 LEU 27 -3.898 -2.304 -0.460 209 HD22 LEU 27 1HD2 LEU 27 -5.491 -2.995 -0.131 210 HD23 LEU 27 2HD2 LEU 27 -5.294 -1.245 -0.273 211 H VAL 28 H VAL 28 -2.578 -2.880 -4.495 212 HA VAL 28 HA VAL 28 -3.046 -0.278 -5.430 213 HB VAL 28 HB VAL 28 -0.564 -2.053 -5.680 214 HG11 VAL 28 1HG1 VAL 28 -0.413 -0.155 -7.234 215 HG12 VAL 28 2HG1 VAL 28 0.747 0.005 -5.917 216 HG13 VAL 28 3HG1 VAL 28 -0.734 0.967 -5.910 217 HG21 VAL 28 3HG2 VAL 28 0.261 -0.932 -3.667 218 HG22 VAL 28 1HG2 VAL 28 -1.291 -1.702 -3.338 219 HG23 VAL 28 2HG2 VAL 28 -1.207 0.042 -3.574 220 H SER 29 H SER 29 -2.706 -3.332 -7.093 221 HA SER 29 HA SER 29 -2.371 -2.197 -9.765 222 HB2 SER 29 2HB SER 29 -2.443 -5.058 -8.722 223 HB3 SER 29 3HB SER 29 -2.145 -4.615 -10.407 224 HG SER 29 HG SER 29 -0.535 -4.113 -8.137 225 H ASP 30 H ASP 30 -5.010 -2.842 -7.793 226 HA ASP 30 HA ASP 30 -6.733 -4.101 -9.772 227 HB2 ASP 30 2HB ASP 30 -6.828 -4.771 -7.386 228 HB3 ASP 30 3HB ASP 30 -7.341 -3.153 -6.941 229 HA PRO 31 HA PRO 31 -8.108 -0.163 -11.533 230 HB2 PRO 31 2HB PRO 31 -10.351 -1.121 -12.890 231 HB3 PRO 31 3HB PRO 31 -8.684 -1.268 -13.479 232 HG2 PRO 31 2HG PRO 31 -10.347 -3.296 -12.022 233 HG3 PRO 31 3HG PRO 31 -9.288 -3.514 -13.436 234 HD2 PRO 31 2HD PRO 31 -8.462 -4.217 -10.977 235 HD3 PRO 31 3HD PRO 31 -7.333 -3.490 -12.145 236 H ASP 32 H ASP 32 -10.386 -2.171 -9.665 237 HA ASP 32 HA ASP 32 -12.454 -0.171 -9.465 238 HB2 ASP 32 2HB ASP 32 -13.090 -2.501 -9.261 239 HB3 ASP 32 3HB ASP 32 -11.951 -2.768 -7.951 240 H THR 33 H THR 33 -9.698 -1.145 -7.506 241 HA THR 33 HA THR 33 -10.407 0.768 -5.363 242 HB THR 33 HB THR 33 -8.566 -0.419 -4.060 243 HG1 THR 33 HG1 THR 33 -7.465 -1.409 -5.784 244 HG21 THR 33 3HG2 THR 33 -9.924 -2.407 -3.526 245 HG22 THR 33 1HG2 THR 33 -10.892 -2.151 -4.979 246 HG23 THR 33 2HG2 THR 33 -10.942 -0.974 -3.663 247 H ASP 34 H ASP 34 -8.660 0.716 -8.152 248 HA ASP 34 HA ASP 34 -6.276 2.063 -7.709 249 HB2 ASP 34 2HB ASP 34 -6.893 1.216 -9.903 250 HB3 ASP 34 3HB ASP 34 -8.296 2.263 -9.986 251 H ALA 35 H ALA 35 -9.570 3.229 -7.566 252 HA ALA 35 HA ALA 35 -9.229 5.986 -7.768 253 HB1 ALA 35 3HB ALA 35 -11.401 4.863 -7.926 254 HB2 ALA 35 1HB ALA 35 -11.447 6.142 -6.711 255 HB3 ALA 35 2HB ALA 35 -11.334 4.451 -6.214 256 H LEU 36 H LEU 36 -8.960 3.881 -4.881 257 HA LEU 36 HA LEU 36 -8.345 6.233 -3.192 258 HB2 LEU 36 2HB LEU 36 -9.263 3.434 -2.445 259 HB3 LEU 36 3HB LEU 36 -8.662 4.576 -1.255 260 HG LEU 36 HG LEU 36 -11.175 4.890 -2.944 261 HD11 LEU 36 1HD1 LEU 36 -12.382 4.760 -0.828 262 HD12 LEU 36 2HD1 LEU 36 -10.866 4.595 0.060 263 HD13 LEU 36 3HD1 LEU 36 -11.387 3.318 -1.043 264 HD21 LEU 36 3HD2 LEU 36 -10.111 7.076 -2.702 265 HD22 LEU 36 1HD2 LEU 36 -9.962 6.841 -0.958 266 HD23 LEU 36 2HD2 LEU 36 -11.558 7.003 -1.699 267 H ILE 37 H ILE 37 -6.812 3.590 -4.753 268 HA ILE 37 HA ILE 37 -4.262 4.425 -3.698 269 HB ILE 37 HB ILE 37 -4.903 2.898 -1.916 270 HG12 ILE 37 2HG1 ILE 37 -2.795 1.527 -3.657 271 HG13 ILE 37 3HG1 ILE 37 -2.495 2.926 -2.629 272 HG21 ILE 37 1HG2 ILE 37 -5.263 0.728 -4.005 273 HG22 ILE 37 2HG2 ILE 37 -6.559 1.553 -3.138 274 HG23 ILE 37 3HG2 ILE 37 -5.423 0.534 -2.255 275 HD11 ILE 37 3HD1 ILE 37 -1.725 0.892 -1.578 276 HD12 ILE 37 1HD1 ILE 37 -3.338 0.184 -1.679 277 HD13 ILE 37 2HD1 ILE 37 -3.048 1.593 -0.651 278 H CYS 38 H CYS 38 -2.870 4.391 -5.341 279 HA CYS 38 HA CYS 38 -3.203 2.490 -7.578 280 HB2 CYS 38 2HB CYS 38 -3.047 4.389 -9.181 281 HB3 CYS 38 3HB CYS 38 -4.478 4.505 -8.163 282 HG CYS 38 HG CYS 38 -4.027 6.870 -7.317 283 H TRP 39 H TRP 39 -1.348 2.092 -8.767 284 HA TRP 39 HA TRP 39 1.210 2.620 -7.520 285 HB2 TRP 39 2HB TRP 39 2.166 1.244 -9.389 286 HB3 TRP 39 3HB TRP 39 0.886 0.413 -8.518 287 HD1 TRP 39 HD1 TRP 39 -1.617 0.428 -9.856 288 HE1 TRP 39 HE1 TRP 39 -2.076 0.159 -12.365 289 HE3 TRP 39 HE3 TRP 39 3.025 1.576 -11.687 290 HZ2 TRP 39 HZ2 TRP 39 -0.687 0.383 -14.794 291 HZ3 TRP 39 HZ3 TRP 39 3.382 1.509 -14.120 292 HH2 TRP 39 HH2 TRP 39 1.562 0.921 -15.648 293 H SER 40 H SER 40 2.917 3.770 -8.407 294 HA SER 40 HA SER 40 2.263 6.013 -10.129 295 HB2 SER 40 2HB SER 40 4.906 5.146 -8.868 296 HB3 SER 40 3HB SER 40 4.576 6.715 -9.606 297 HG SER 40 HG SER 40 2.728 6.601 -7.899 298 HA PRO 41 HA PRO 41 3.152 4.063 -14.039 299 HB2 PRO 41 2HB PRO 41 4.696 6.064 -15.335 300 HB3 PRO 41 3HB PRO 41 2.928 5.970 -15.284 301 HG2 PRO 41 2HG PRO 41 4.770 7.583 -13.563 302 HG3 PRO 41 3HG PRO 41 3.188 8.024 -14.246 303 HD2 PRO 41 2HD PRO 41 3.407 7.361 -11.665 304 HD3 PRO 41 3HD PRO 41 2.000 6.825 -12.612 305 H SER 42 H SER 42 5.958 5.149 -12.212 306 HA SER 42 HA SER 42 7.901 3.669 -13.759 307 HB2 SER 42 2HB SER 42 8.101 4.927 -10.993 308 HB3 SER 42 3HB SER 42 9.460 4.302 -11.923 309 HG SER 42 HG SER 42 8.437 5.873 -13.602 310 H GLY 43 H GLY 43 6.156 3.140 -10.668 311 HA2 GLY 43 2HA GLY 43 5.056 1.057 -10.312 312 HA3 GLY 43 3HA GLY 43 6.329 0.232 -11.186 313 H ASN 44 H ASN 44 7.635 2.479 -8.997 314 HA ASN 44 HA ASN 44 8.377 0.296 -7.133 315 HB2 ASN 44 2HB ASN 44 10.454 1.642 -6.661 316 HB3 ASN 44 3HB ASN 44 10.335 1.096 -8.332 317 HD21 ASN 44 1HD2 ASN 44 9.927 2.614 -9.961 318 HD22 ASN 44 2HD2 ASN 44 10.162 4.310 -9.710 319 H SER 45 H SER 45 6.289 2.773 -7.251 320 HA SER 45 HA SER 45 6.181 3.066 -4.363 321 HB2 SER 45 2HB SER 45 6.005 5.549 -4.453 322 HB3 SER 45 3HB SER 45 7.584 5.010 -5.019 323 HG SER 45 HG SER 45 5.537 6.272 -6.394 324 H PHE 46 H PHE 46 4.086 3.865 -3.666 325 HA PHE 46 HA PHE 46 1.991 4.124 -5.712 326 HB2 PHE 46 2HB PHE 46 0.495 2.548 -4.557 327 HB3 PHE 46 3HB PHE 46 1.952 1.736 -5.104 328 HD1 PHE 46 HD2 PHE 46 3.682 1.011 -3.435 329 HD2 PHE 46 HD1 PHE 46 -0.069 2.644 -2.181 330 HE1 PHE 46 HE2 PHE 46 4.022 0.087 -1.184 331 HE2 PHE 46 HE1 PHE 46 0.287 1.714 0.070 332 HZ PHE 46 HZ PHE 46 2.330 0.434 0.569 333 H HIS 47 H HIS 47 0.079 5.151 -4.940 334 HA HIS 47 HA HIS 47 0.534 6.930 -2.614 335 HB2 HIS 47 2HB HIS 47 -1.029 7.334 -5.201 336 HB3 HIS 47 3HB HIS 47 -1.166 8.425 -3.826 337 HD1 HIS 47 HD1 HIS 47 0.059 10.483 -4.388 338 HD2 HIS 47 HD2 HIS 47 2.085 7.123 -5.762 339 HE1 HIS 47 HE1 HIS 47 2.169 11.345 -5.420 340 HE2 HIS 47 HE2 HIS 47 3.383 9.305 -6.228 341 H VAL 48 H VAL 48 -1.084 7.132 -1.114 342 HA VAL 48 HA VAL 48 -3.488 5.418 -1.353 343 HB VAL 48 HB VAL 48 -2.026 6.139 1.244 344 HG11 VAL 48 1HG1 VAL 48 -4.398 4.299 0.751 345 HG12 VAL 48 2HG1 VAL 48 -4.431 5.861 1.574 346 HG13 VAL 48 3HG1 VAL 48 -3.566 4.504 2.292 347 HG21 VAL 48 3HG2 VAL 48 -0.673 4.538 -0.050 348 HG22 VAL 48 1HG2 VAL 48 -2.059 3.453 -0.196 349 HG23 VAL 48 2HG2 VAL 48 -1.346 3.772 1.388 350 H PHE 49 H PHE 49 -5.386 6.436 -0.923 351 HA PHE 49 HA PHE 49 -5.351 9.354 -0.397 352 HB2 PHE 49 2HB PHE 49 -7.094 7.837 -2.394 353 HB3 PHE 49 3HB PHE 49 -7.211 9.562 -2.048 354 HD1 PHE 49 HD2 PHE 49 -5.411 11.101 -2.772 355 HD2 PHE 49 HD1 PHE 49 -5.364 6.962 -3.849 356 HE1 PHE 49 HE2 PHE 49 -3.722 11.558 -4.491 357 HE2 PHE 49 HE1 PHE 49 -3.668 7.435 -5.566 358 HZ PHE 49 HZ PHE 49 -2.847 9.731 -5.882 359 H ASP 50 H ASP 50 -7.026 10.172 0.765 360 HA ASP 50 HA ASP 50 -8.585 10.273 2.397 361 HB2 ASP 50 2HB ASP 50 -9.962 8.466 0.369 362 HB3 ASP 50 3HB ASP 50 -10.799 9.143 1.758 363 H GLN 51 H GLN 51 -6.913 9.073 3.674 364 HA GLN 51 HA GLN 51 -6.835 6.340 4.063 365 HB2 GLN 51 2HB GLN 51 -6.018 8.593 5.926 366 HB3 GLN 51 3HB GLN 51 -5.641 6.899 6.240 367 HG2 GLN 51 2HG GLN 51 -4.377 6.776 4.130 368 HG3 GLN 51 3HG GLN 51 -4.740 8.467 3.798 369 HE21 GLN 51 1HE2 GLN 51 -2.176 7.041 4.193 370 HE22 GLN 51 2HE2 GLN 51 -1.354 7.911 5.439 371 H GLY 52 H GLY 52 -8.992 8.642 5.620 372 HA2 GLY 52 2HA GLY 52 -10.102 6.994 7.633 373 HA3 GLY 52 3HA GLY 52 -10.913 8.338 6.840 374 H GLN 53 H GLN 53 -11.023 7.479 4.217 375 HA GLN 53 HA GLN 53 -13.286 5.709 4.266 376 HB2 GLN 53 2HB GLN 53 -13.020 7.688 2.707 377 HB3 GLN 53 3HB GLN 53 -11.762 6.800 1.854 378 HG2 GLN 53 2HG GLN 53 -13.842 6.632 0.616 379 HG3 GLN 53 3HG GLN 53 -13.432 5.044 1.271 380 HE21 GLN 53 1HE2 GLN 53 -15.586 4.333 1.188 381 HE22 GLN 53 2HE2 GLN 53 -16.788 4.897 2.275 382 H PHE 54 H PHE 54 -9.992 5.527 2.989 383 HA PHE 54 HA PHE 54 -9.913 3.063 1.764 384 HB2 PHE 54 2HB PHE 54 -8.147 4.736 1.508 385 HB3 PHE 54 3HB PHE 54 -7.761 4.673 3.219 386 HD1 PHE 54 HD2 PHE 54 -7.475 2.842 -0.008 387 HD2 PHE 54 HD1 PHE 54 -6.249 2.988 4.090 388 HE1 PHE 54 HE2 PHE 54 -5.734 1.162 -0.449 389 HE2 PHE 54 HE1 PHE 54 -4.509 1.313 3.625 390 HZ PHE 54 HZ PHE 54 -4.257 0.395 1.356 391 H ALA 55 H ALA 55 -8.996 3.861 5.140 392 HA ALA 55 HA ALA 55 -8.426 1.196 5.894 393 HB1 ALA 55 3HB ALA 55 -7.545 3.143 7.107 394 HB2 ALA 55 1HB ALA 55 -8.383 2.038 8.197 395 HB3 ALA 55 2HB ALA 55 -9.168 3.536 7.676 396 H LYS 56 H LYS 56 -11.391 2.964 5.706 397 HA LYS 56 HA LYS 56 -12.927 1.373 7.523 398 HB2 LYS 56 2HB LYS 56 -13.672 3.547 7.362 399 HB3 LYS 56 3HB LYS 56 -13.487 3.639 5.621 400 HG2 LYS 56 2HG LYS 56 -15.630 1.829 6.692 401 HG3 LYS 56 3HG LYS 56 -15.886 3.568 6.832 402 HD2 LYS 56 2HD LYS 56 -15.675 3.850 4.417 403 HD3 LYS 56 3HD LYS 56 -15.240 2.149 4.217 404 HE2 LYS 56 2HE LYS 56 -17.577 2.548 3.586 405 HE3 LYS 56 3HE LYS 56 -17.486 1.484 4.991 406 HZ1 LYS 56 3HZ LYS 56 -18.020 3.345 6.413 407 HZ2 LYS 56 1HZ LYS 56 -19.200 3.196 5.212 408 HZ3 LYS 56 2HZ LYS 56 -18.029 4.408 5.099 409 H GLU 57 H GLU 57 -12.767 1.486 3.917 410 HA GLU 57 HA GLU 57 -14.483 -0.936 3.850 411 HB2 GLU 57 2HB GLU 57 -14.909 -0.384 1.453 412 HB3 GLU 57 3HB GLU 57 -15.453 0.861 2.568 413 HG2 GLU 57 2HG GLU 57 -13.710 2.347 1.960 414 HG3 GLU 57 3HG GLU 57 -12.786 1.087 1.165 415 H VAL 58 H VAL 58 -11.357 0.276 2.683 416 HA VAL 58 HA VAL 58 -11.024 -1.844 0.749 417 HB VAL 58 HB VAL 58 -9.141 0.366 1.687 418 HG11 VAL 58 1HG1 VAL 58 -8.775 -1.583 -0.612 419 HG12 VAL 58 2HG1 VAL 58 -7.794 -1.477 0.853 420 HG13 VAL 58 3HG1 VAL 58 -7.778 -0.158 -0.317 421 HG21 VAL 58 3HG2 VAL 58 -9.662 1.411 -0.520 422 HG22 VAL 58 1HG2 VAL 58 -11.092 1.250 0.502 423 HG23 VAL 58 2HG2 VAL 58 -10.835 0.132 -0.838 424 H LEU 59 H LEU 59 -9.502 -0.983 3.881 425 HA LEU 59 HA LEU 59 -7.625 -3.071 3.915 426 HB2 LEU 59 2HB LEU 59 -8.832 -1.572 6.260 427 HB3 LEU 59 3HB LEU 59 -7.561 -2.768 6.444 428 HG LEU 59 HG LEU 59 -7.364 -0.078 5.041 429 HD11 LEU 59 1HD1 LEU 59 -5.902 -1.211 7.451 430 HD12 LEU 59 2HD1 LEU 59 -7.169 0.018 7.469 431 HD13 LEU 59 3HD1 LEU 59 -5.618 0.370 6.715 432 HD21 LEU 59 3HD2 LEU 59 -5.019 -0.644 4.508 433 HD22 LEU 59 1HD2 LEU 59 -6.167 -1.671 3.651 434 HD23 LEU 59 2HD2 LEU 59 -5.295 -2.301 5.051 435 HA PRO 60 HA PRO 60 -10.709 -5.920 6.429 436 HB2 PRO 60 2HB PRO 60 -13.427 -5.337 6.290 437 HB3 PRO 60 3HB PRO 60 -12.367 -4.825 7.617 438 HG2 PRO 60 2HG PRO 60 -13.326 -3.243 5.274 439 HG3 PRO 60 3HG PRO 60 -13.121 -2.744 6.956 440 HD2 PRO 60 2HD PRO 60 -11.339 -2.103 5.009 441 HD3 PRO 60 3HD PRO 60 -10.854 -2.357 6.701 442 H LYS 61 H LYS 61 -11.266 -4.598 3.324 443 HA LYS 61 HA LYS 61 -12.738 -6.772 2.151 444 HB2 LYS 61 2HB LYS 61 -12.872 -4.454 1.320 445 HB3 LYS 61 3HB LYS 61 -11.164 -4.480 0.901 446 HG2 LYS 61 2HG LYS 61 -11.584 -6.150 -0.833 447 HG3 LYS 61 3HG LYS 61 -13.291 -6.233 -0.373 448 HD2 LYS 61 2HD LYS 61 -13.581 -3.854 -1.011 449 HD3 LYS 61 3HD LYS 61 -11.870 -3.755 -1.438 450 HE2 LYS 61 2HE LYS 61 -12.224 -5.421 -3.227 451 HE3 LYS 61 3HE LYS 61 -13.934 -5.518 -2.799 452 HZ1 LYS 61 3HZ LYS 61 -13.506 -4.047 -4.697 453 HZ2 LYS 61 1HZ LYS 61 -12.562 -3.047 -3.721 454 HZ3 LYS 61 2HZ LYS 61 -14.211 -3.216 -3.406 455 H TYR 62 H TYR 62 -9.398 -5.587 1.557 456 HA TYR 62 HA TYR 62 -8.590 -8.089 0.316 457 HB2 TYR 62 2HB TYR 62 -7.131 -5.489 0.924 458 HB3 TYR 62 3HB TYR 62 -6.272 -6.899 0.303 459 HD1 TYR 62 HD2 TYR 62 -9.111 -4.585 -0.460 460 HD2 TYR 62 HD1 TYR 62 -6.268 -7.364 -2.030 461 HE1 TYR 62 HE2 TYR 62 -9.813 -4.016 -2.747 462 HE2 TYR 62 HE1 TYR 62 -6.972 -6.802 -4.309 463 HH TYR 62 HH TYR 62 -8.742 -4.108 -5.084 464 H PHE 63 H PHE 63 -7.663 -6.332 3.238 465 HA PHE 63 HA PHE 63 -6.350 -8.694 4.408 466 HB2 PHE 63 2HB PHE 63 -6.717 -5.921 5.654 467 HB3 PHE 63 3HB PHE 63 -5.535 -7.150 6.101 468 HD1 PHE 63 HD2 PHE 63 -3.555 -7.572 4.609 469 HD2 PHE 63 HD1 PHE 63 -6.309 -4.405 3.806 470 HE1 PHE 63 HE2 PHE 63 -1.960 -6.562 3.044 471 HE2 PHE 63 HE1 PHE 63 -4.703 -3.406 2.230 472 HZ PHE 63 HZ PHE 63 -2.524 -4.490 1.845 473 H LYS 64 H LYS 64 -7.174 -8.325 7.174 474 HA LYS 64 HA LYS 64 -10.117 -8.706 7.046 475 HB2 LYS 64 2HB LYS 64 -8.077 -10.585 8.303 476 HB3 LYS 64 3HB LYS 64 -9.770 -10.621 8.762 477 HG2 LYS 64 2HG LYS 64 -9.032 -10.938 5.850 478 HG3 LYS 64 3HG LYS 64 -8.823 -12.301 6.942 479 HD2 LYS 64 2HD LYS 64 -10.956 -12.576 5.880 480 HD3 LYS 64 3HD LYS 64 -11.281 -12.100 7.543 481 HE2 LYS 64 2HE LYS 64 -12.812 -10.967 6.017 482 HE3 LYS 64 3HE LYS 64 -11.737 -9.787 6.764 483 HZ1 LYS 64 3HZ LYS 64 -10.389 -9.855 4.713 484 HZ2 LYS 64 1HZ LYS 64 -11.965 -9.312 4.440 485 HZ3 LYS 64 2HZ LYS 64 -11.530 -10.886 4.010 486 H HIS 65 H HIS 65 -9.057 -6.358 7.741 487 HA HIS 65 HA HIS 65 -9.858 -5.890 10.443 488 HB2 HIS 65 2HB HIS 65 -7.740 -5.194 11.413 489 HB3 HIS 65 3HB HIS 65 -7.473 -6.803 10.747 490 HD1 HIS 65 HD1 HIS 65 -6.160 -3.410 10.683 491 HD2 HIS 65 HD2 HIS 65 -6.050 -6.685 8.133 492 HE1 HIS 65 HE1 HIS 65 -4.368 -2.899 9.014 493 HE2 HIS 65 HE2 HIS 65 -4.161 -4.990 7.634 494 H ASN 66 H ASN 66 -9.666 -3.513 10.939 495 HA ASN 66 HA ASN 66 -9.663 -1.817 8.482 496 HB2 ASN 66 2HB ASN 66 -11.030 -1.230 11.166 497 HB3 ASN 66 3HB ASN 66 -11.060 -0.225 9.729 498 HD21 ASN 66 1HD2 ASN 66 -12.652 -0.461 8.346 499 HD22 ASN 66 2HD2 ASN 66 -13.791 -1.759 8.330 500 H ASN 67 H ASN 67 -9.378 0.640 10.203 501 HA ASN 67 HA ASN 67 -7.974 1.876 11.448 502 HB2 ASN 67 2HB ASN 67 -8.156 0.107 13.155 503 HB3 ASN 67 3HB ASN 67 -6.827 -0.773 12.410 504 HD21 ASN 67 1HD2 ASN 67 -7.692 2.099 14.239 505 HD22 ASN 67 2HD2 ASN 67 -6.098 2.447 14.807 506 H MET 68 H MET 68 -6.705 3.061 10.211 507 HA MET 68 HA MET 68 -4.923 2.001 8.225 508 HB2 MET 68 2HB MET 68 -6.191 4.102 7.888 509 HB3 MET 68 3HB MET 68 -5.275 4.880 9.173 510 HG2 MET 68 2HG MET 68 -4.462 5.574 7.006 511 HG3 MET 68 3HG MET 68 -3.226 4.589 7.799 512 HE1 MET 68 3HE MET 68 -2.949 3.819 3.933 513 HE2 MET 68 1HE MET 68 -2.090 4.434 5.344 514 HE3 MET 68 2HE MET 68 -3.443 5.339 4.671 515 H ALA 69 H ALA 69 -4.548 3.204 11.494 516 HA ALA 69 HA ALA 69 -1.805 3.694 11.627 517 HB1 ALA 69 3HB ALA 69 -3.371 4.233 13.442 518 HB2 ALA 69 1HB ALA 69 -2.020 3.274 14.048 519 HB3 ALA 69 2HB ALA 69 -3.594 2.516 13.782 520 H SER 70 H SER 70 -3.594 0.646 11.907 521 HA SER 70 HA SER 70 -1.473 -1.106 12.524 522 HB2 SER 70 2HB SER 70 -3.858 -1.663 12.842 523 HB3 SER 70 3HB SER 70 -4.116 -1.642 11.097 524 HG SER 70 HG SER 70 -2.342 -3.390 12.475 525 H PHE 71 H PHE 71 -2.894 -0.067 9.444 526 HA PHE 71 HA PHE 71 -1.538 -1.852 7.706 527 HB2 PHE 71 2HB PHE 71 -3.597 -0.780 7.012 528 HB3 PHE 71 3HB PHE 71 -2.927 0.823 7.264 529 HD1 PHE 71 HD1 PHE 71 -2.551 -2.233 5.112 530 HD2 PHE 71 HD2 PHE 71 -1.968 1.983 5.438 531 HE1 PHE 71 HE1 PHE 71 -1.957 -2.121 2.726 532 HE2 PHE 71 HE2 PHE 71 -1.374 2.089 3.053 533 HZ PHE 71 HZ PHE 71 -1.371 0.037 1.696 534 H VAL 72 H VAL 72 -0.991 1.610 8.398 535 HA VAL 72 HA VAL 72 1.388 1.921 6.926 536 HB VAL 72 HB VAL 72 0.438 3.533 9.343 537 HG11 VAL 72 1HG1 VAL 72 1.808 5.381 8.467 538 HG12 VAL 72 2HG1 VAL 72 2.411 4.343 7.173 539 HG13 VAL 72 3HG1 VAL 72 2.808 3.979 8.851 540 HG21 VAL 72 3HG2 VAL 72 -0.567 5.089 7.722 541 HG22 VAL 72 1HG2 VAL 72 -1.258 3.476 7.550 542 HG23 VAL 72 2HG2 VAL 72 -0.064 4.052 6.384 543 H ARG 73 H ARG 73 0.809 0.863 10.289 544 HA ARG 73 HA ARG 73 3.392 0.977 11.343 545 HB2 ARG 73 2HB ARG 73 1.435 0.445 12.733 546 HB3 ARG 73 3HB ARG 73 1.204 -1.082 11.891 547 HG2 ARG 73 2HG ARG 73 3.276 -1.962 12.830 548 HG3 ARG 73 3HG ARG 73 3.642 -0.405 13.570 549 HD2 ARG 73 2HD ARG 73 1.642 -0.635 15.018 550 HD3 ARG 73 3HD ARG 73 1.306 -2.214 14.286 551 HE ARG 73 HE ARG 73 3.942 -2.245 15.223 552 HH11 ARG 73 1HH1 ARG 73 0.727 -2.070 16.634 553 HH12 ARG 73 2HH1 ARG 73 1.210 -2.841 18.114 554 HH21 ARG 73 1HH2 ARG 73 4.565 -3.267 17.143 555 HH22 ARG 73 2HH2 ARG 73 3.396 -3.520 18.406 556 H GLN 74 H GLN 74 1.860 -1.546 9.392 557 HA GLN 74 HA GLN 74 3.951 -3.442 9.464 558 HB2 GLN 74 2HB GLN 74 1.983 -3.025 7.180 559 HB3 GLN 74 3HB GLN 74 2.887 -4.490 7.537 560 HG2 GLN 74 2HG GLN 74 0.629 -3.305 9.164 561 HG3 GLN 74 3HG GLN 74 0.585 -4.778 8.197 562 HE21 GLN 74 1HE2 GLN 74 1.624 -6.643 8.990 563 HE22 GLN 74 2HE2 GLN 74 2.076 -6.801 10.648 564 H LEU 75 H LEU 75 3.181 -0.817 7.173 565 HA LEU 75 HA LEU 75 5.137 -1.314 5.247 566 HB2 LEU 75 2HB LEU 75 3.707 1.244 6.067 567 HB3 LEU 75 3HB LEU 75 4.683 1.107 4.612 568 HG LEU 75 HG LEU 75 2.233 -0.634 5.137 569 HD11 LEU 75 1HD1 LEU 75 1.540 1.710 5.019 570 HD12 LEU 75 2HD1 LEU 75 0.995 0.814 3.605 571 HD13 LEU 75 3HD1 LEU 75 2.381 1.901 3.480 572 HD21 LEU 75 3HD2 LEU 75 2.357 -1.094 2.717 573 HD22 LEU 75 1HD2 LEU 75 3.820 -1.611 3.556 574 HD23 LEU 75 2HD2 LEU 75 3.829 -0.125 2.603 575 H ASN 76 H ASN 76 5.227 0.918 8.070 576 HA ASN 76 HA ASN 76 7.776 1.973 7.773 577 HB2 ASN 76 2HB ASN 76 6.293 1.307 10.353 578 HB3 ASN 76 3HB ASN 76 7.815 2.184 10.328 579 HD21 ASN 76 1HD2 ASN 76 4.439 2.450 10.060 580 HD22 ASN 76 2HD2 ASN 76 4.374 4.124 9.652 581 H MET 77 H MET 77 6.825 -1.109 9.255 582 HA MET 77 HA MET 77 9.463 -1.871 10.080 583 HB2 MET 77 2HB MET 77 6.962 -3.570 9.677 584 HB3 MET 77 3HB MET 77 8.440 -4.128 10.446 585 HG2 MET 77 2HG MET 77 8.138 -2.385 12.208 586 HG3 MET 77 3HG MET 77 6.599 -1.953 11.465 587 HE1 MET 77 3HE MET 77 4.560 -5.325 11.970 588 HE2 MET 77 1HE MET 77 5.546 -4.917 10.564 589 HE3 MET 77 2HE MET 77 4.502 -3.697 11.299 590 H TYR 78 H TYR 78 7.544 -2.343 7.139 591 HA TYR 78 HA TYR 78 9.314 -4.335 5.984 592 HB2 TYR 78 2HB TYR 78 6.809 -2.923 5.023 593 HB3 TYR 78 3HB TYR 78 7.812 -3.783 3.870 594 HD1 TYR 78 HD1 TYR 78 8.370 -6.324 4.521 595 HD2 TYR 78 HD2 TYR 78 5.030 -4.135 6.052 596 HE1 TYR 78 HE1 TYR 78 7.198 -8.432 5.003 597 HE2 TYR 78 HE2 TYR 78 3.871 -6.249 6.541 598 HH TYR 78 HH TYR 78 5.457 -9.313 6.366 599 H GLY 79 H GLY 79 9.454 -0.990 6.333 600 HA2 GLY 79 2HA GLY 79 11.338 0.285 5.805 601 HA3 GLY 79 3HA GLY 79 11.763 -0.853 4.541 602 H PHE 80 H PHE 80 8.482 0.225 4.466 603 HA PHE 80 HA PHE 80 8.888 1.693 2.007 604 HB2 PHE 80 2HB PHE 80 6.397 1.134 3.678 605 HB3 PHE 80 3HB PHE 80 6.364 2.132 2.229 606 HD1 PHE 80 HD1 PHE 80 7.113 -1.321 3.455 607 HD2 PHE 80 HD2 PHE 80 6.197 1.131 0.070 608 HE1 PHE 80 HE1 PHE 80 6.795 -3.335 2.073 609 HE2 PHE 80 HE2 PHE 80 5.882 -0.891 -1.296 610 HZ PHE 80 HZ PHE 80 6.182 -3.120 -0.298 611 H ARG 81 H ARG 81 8.882 3.904 1.773 612 HA ARG 81 HA ARG 81 9.152 5.469 4.263 613 HB2 ARG 81 2HB ARG 81 11.035 5.493 2.573 614 HB3 ARG 81 3HB ARG 81 9.955 6.285 1.432 615 HG2 ARG 81 2HG ARG 81 9.676 8.133 3.188 616 HG3 ARG 81 3HG ARG 81 10.997 7.367 4.069 617 HD2 ARG 81 2HD ARG 81 11.103 8.617 1.309 618 HD3 ARG 81 3HD ARG 81 11.892 9.192 2.777 619 HE ARG 81 HE ARG 81 12.909 6.674 2.378 620 HH11 ARG 81 1HH1 ARG 81 12.834 9.627 0.445 621 HH12 ARG 81 2HH1 ARG 81 14.325 9.273 -0.382 622 HH21 ARG 81 1HH2 ARG 81 14.859 6.214 1.288 623 HH22 ARG 81 2HH2 ARG 81 15.479 7.320 0.101 624 H LYS 82 H LYS 82 7.494 6.719 4.844 625 HA LYS 82 HA LYS 82 5.232 7.349 3.211 626 HB2 LYS 82 2HB LYS 82 5.288 6.998 5.731 627 HB3 LYS 82 3HB LYS 82 6.133 8.526 5.891 628 HG2 LYS 82 2HG LYS 82 3.374 8.296 4.667 629 HG3 LYS 82 3HG LYS 82 3.631 8.497 6.397 630 HD2 LYS 82 2HD LYS 82 4.782 10.661 5.959 631 HD3 LYS 82 3HD LYS 82 4.488 10.458 4.229 632 HE2 LYS 82 2HE LYS 82 2.838 11.970 5.203 633 HE3 LYS 82 3HE LYS 82 2.047 10.498 4.648 634 HZ1 LYS 82 3HZ LYS 82 2.756 11.175 7.451 635 HZ2 LYS 82 1HZ LYS 82 2.088 9.701 6.961 636 HZ3 LYS 82 2HZ LYS 82 1.206 11.127 6.787 637 H VAL 83 H VAL 83 5.316 8.875 1.642 638 HA VAL 83 HA VAL 83 7.136 11.192 1.882 639 HB VAL 83 HB VAL 83 5.807 10.081 -0.638 640 HG11 VAL 83 1HG1 VAL 83 7.893 12.272 -0.333 641 HG12 VAL 83 2HG1 VAL 83 6.209 12.489 -0.813 642 HG13 VAL 83 3HG1 VAL 83 7.318 11.613 -1.868 643 HG21 VAL 83 3HG2 VAL 83 8.702 9.813 0.262 644 HG22 VAL 83 1HG2 VAL 83 8.053 9.280 -1.292 645 HG23 VAL 83 2HG2 VAL 83 7.508 8.514 0.200 646 H VAL 84 H VAL 84 6.219 13.035 2.363 647 HA VAL 84 HA VAL 84 3.345 13.396 2.525 648 HB VAL 84 HB VAL 84 5.615 15.340 3.177 649 HG11 VAL 84 1HG1 VAL 84 3.509 16.546 2.821 650 HG12 VAL 84 2HG1 VAL 84 3.957 16.585 4.525 651 HG13 VAL 84 3HG1 VAL 84 2.680 15.496 3.974 652 HG21 VAL 84 3HG2 VAL 84 5.289 14.708 5.540 653 HG22 VAL 84 1HG2 VAL 84 5.766 13.317 4.563 654 HG23 VAL 84 2HG2 VAL 84 4.085 13.508 5.064 655 H HIS 85 H HIS 85 2.199 14.113 0.837 656 HA HIS 85 HA HIS 85 3.399 16.005 -1.118 657 HB2 HIS 85 2HB HIS 85 1.113 14.026 -1.503 658 HB3 HIS 85 3HB HIS 85 1.591 15.236 -2.691 659 HD1 HIS 85 HD1 HIS 85 3.477 14.642 -4.237 660 HD2 HIS 85 HD2 HIS 85 3.130 11.941 -1.095 661 HE1 HIS 85 HE1 HIS 85 5.031 12.757 -4.793 662 HE2 HIS 85 HE2 HIS 85 4.975 11.266 -2.782 663 H ILE 86 H ILE 86 0.292 15.171 0.540 664 HA ILE 86 HA ILE 86 -0.679 17.894 0.330 665 HB ILE 86 HB ILE 86 -1.763 15.613 2.050 666 HG12 ILE 86 2HG1 ILE 86 -1.980 15.101 -0.335 667 HG13 ILE 86 3HG1 ILE 86 -3.562 15.442 0.342 668 HG21 ILE 86 1HG2 ILE 86 -3.021 18.325 1.448 669 HG22 ILE 86 2HG2 ILE 86 -2.414 17.776 3.012 670 HG23 ILE 86 3HG2 ILE 86 -3.819 16.991 2.289 671 HD11 ILE 86 3HD1 ILE 86 -3.488 17.691 -0.681 672 HD12 ILE 86 1HD1 ILE 86 -3.350 16.390 -1.865 673 HD13 ILE 86 2HD1 ILE 86 -1.916 17.296 -1.386 674 H GLU 87 H GLU 87 0.751 19.191 1.246 675 HA GLU 87 HA GLU 87 1.839 18.794 3.917 676 HB2 GLU 87 2HB GLU 87 2.207 21.056 1.917 677 HB3 GLU 87 3HB GLU 87 3.132 20.843 3.401 678 HG2 GLU 87 2HG GLU 87 4.169 18.829 2.547 679 HG3 GLU 87 3HG GLU 87 3.122 18.829 1.129 680 H GLN 88 H GLN 88 0.578 19.334 5.572 681 HA GLN 88 HA GLN 88 -1.590 21.226 5.449 682 HB2 GLN 88 2HB GLN 88 -0.363 19.879 7.894 683 HB3 GLN 88 3HB GLN 88 -1.919 20.703 7.827 684 HG2 GLN 88 2HG GLN 88 -2.724 18.991 6.211 685 HG3 GLN 88 3HG GLN 88 -1.186 18.144 6.374 686 HE21 GLN 88 1HE2 GLN 88 -3.880 17.195 6.981 687 HE22 GLN 88 2HE2 GLN 88 -3.875 16.751 8.650 688 H GLY 89 H GLY 89 -1.775 23.128 6.711 689 HA2 GLY 89 2HA GLY 89 -0.263 24.586 8.301 690 HA3 GLY 89 3HA GLY 89 0.689 24.712 6.819 691 H GLY 90 H GLY 90 0.287 26.539 5.747 692 HA2 GLY 90 2HA GLY 90 -2.360 27.825 5.881 693 HA3 GLY 90 3HA GLY 90 -0.871 28.561 5.311 694 H LEU 91 H LEU 91 -0.971 25.558 3.963 695 HA LEU 91 HA LEU 91 -1.460 26.625 1.340 696 HB2 LEU 91 2HB LEU 91 -0.989 23.727 2.130 697 HB3 LEU 91 3HB LEU 91 -0.833 24.401 0.518 698 HG LEU 91 HG LEU 91 0.959 25.015 2.901 699 HD11 LEU 91 1HD1 LEU 91 1.592 23.508 0.343 700 HD12 LEU 91 2HD1 LEU 91 1.384 22.801 1.947 701 HD13 LEU 91 3HD1 LEU 91 2.732 23.891 1.638 702 HD21 LEU 91 3HD2 LEU 91 0.736 27.029 1.551 703 HD22 LEU 91 1HD2 LEU 91 1.134 26.131 0.083 704 HD23 LEU 91 2HD2 LEU 91 2.344 26.343 1.351 705 H VAL 92 H VAL 92 -3.077 26.146 -0.076 706 HA VAL 92 HA VAL 92 -5.629 25.117 1.006 707 HB VAL 92 HB VAL 92 -6.716 26.292 -0.895 708 HG11 VAL 92 1HG1 VAL 92 -6.465 27.443 1.248 709 HG12 VAL 92 2HG1 VAL 92 -6.382 28.584 -0.093 710 HG13 VAL 92 3HG1 VAL 92 -4.905 28.096 0.738 711 HG21 VAL 92 3HG2 VAL 92 -5.436 27.851 -2.341 712 HG22 VAL 92 1HG2 VAL 92 -4.893 26.183 -2.550 713 HG23 VAL 92 2HG2 VAL 92 -3.929 27.310 -1.596 714 H LYS 93 H LYS 93 -3.175 23.663 -0.327 715 HA LYS 93 HA LYS 93 -4.187 22.292 -2.572 716 HB2 LYS 93 2HB LYS 93 -2.180 21.340 -0.475 717 HB3 LYS 93 3HB LYS 93 -2.513 20.512 -1.994 718 HG2 LYS 93 2HG LYS 93 -1.860 22.759 -3.128 719 HG3 LYS 93 3HG LYS 93 -1.143 23.172 -1.570 720 HD2 LYS 93 2HD LYS 93 -0.435 20.747 -3.268 721 HD3 LYS 93 3HD LYS 93 0.523 22.221 -3.132 722 HE2 LYS 93 2HE LYS 93 0.933 21.765 -0.754 723 HE3 LYS 93 3HE LYS 93 -0.092 20.327 -0.833 724 HZ1 LYS 93 3HZ LYS 93 1.436 19.340 -2.398 725 HZ2 LYS 93 1HZ LYS 93 2.283 19.788 -1.005 726 HZ3 LYS 93 2HZ LYS 93 2.398 20.726 -2.407 727 HA PRO 94 HA PRO 94 -7.718 20.260 -1.374 728 HB2 PRO 94 2HB PRO 94 -7.451 17.621 -2.340 729 HB3 PRO 94 3HB PRO 94 -7.894 19.032 -3.319 730 HG2 PRO 94 2HG PRO 94 -5.190 17.829 -2.884 731 HG3 PRO 94 3HG PRO 94 -5.945 18.340 -4.418 732 HD2 PRO 94 2HD PRO 94 -4.174 19.953 -3.305 733 HD3 PRO 94 3HD PRO 94 -5.700 20.677 -3.880 734 H GLU 95 H GLU 95 -8.750 19.056 0.140 735 HA GLU 95 HA GLU 95 -7.169 18.590 2.522 736 HB2 GLU 95 2HB GLU 95 -9.347 18.603 3.696 737 HB3 GLU 95 3HB GLU 95 -9.175 19.991 2.627 738 HG2 GLU 95 2HG GLU 95 -10.577 18.787 0.920 739 HG3 GLU 95 3HG GLU 95 -10.830 17.504 2.096 740 H ARG 96 H ARG 96 -7.740 16.585 0.113 741 HA ARG 96 HA ARG 96 -8.484 14.160 1.405 742 HB2 ARG 96 2HB ARG 96 -7.897 13.073 -0.641 743 HB3 ARG 96 3HB ARG 96 -8.568 14.628 -1.116 744 HG2 ARG 96 2HG ARG 96 -6.317 15.516 -1.532 745 HG3 ARG 96 3HG ARG 96 -5.596 14.021 -0.937 746 HD2 ARG 96 2HD ARG 96 -6.914 12.854 -2.834 747 HD3 ARG 96 3HD ARG 96 -7.129 14.475 -3.501 748 HE ARG 96 HE ARG 96 -4.456 13.313 -2.947 749 HH11 ARG 96 1HH1 ARG 96 -6.613 15.009 -5.158 750 HH12 ARG 96 2HH1 ARG 96 -5.386 15.225 -6.367 751 HH21 ARG 96 1HH2 ARG 96 -2.893 13.511 -4.566 752 HH22 ARG 96 2HH2 ARG 96 -3.274 14.376 -6.031 753 H ASP 97 H ASP 97 -6.955 12.309 1.588 754 HA ASP 97 HA ASP 97 -4.238 13.034 2.421 755 HB2 ASP 97 2HB ASP 97 -5.626 10.318 2.338 756 HB3 ASP 97 3HB ASP 97 -3.987 10.590 2.929 757 H ASP 98 H ASP 98 -2.547 12.950 1.054 758 HA ASP 98 HA ASP 98 -2.500 10.895 -1.078 759 HB2 ASP 98 2HB ASP 98 -2.703 13.210 -2.091 760 HB3 ASP 98 3HB ASP 98 -1.203 13.663 -1.293 761 H THR 99 H THR 99 -1.231 9.428 -0.149 762 HA THR 99 HA THR 99 1.228 10.244 1.286 763 HB THR 99 HB THR 99 -0.672 7.965 2.048 764 HG1 THR 99 HG1 THR 99 -1.419 10.212 2.423 765 HG21 THR 99 3HG2 THR 99 0.668 7.880 4.129 766 HG22 THR 99 1HG2 THR 99 1.753 9.114 3.486 767 HG23 THR 99 2HG2 THR 99 1.661 7.526 2.717 768 H GLU 100 H GLU 100 2.940 9.489 0.146 769 HA GLU 100 HA GLU 100 2.524 7.204 -1.699 770 HB2 GLU 100 2HB GLU 100 3.184 9.247 -2.816 771 HB3 GLU 100 3HB GLU 100 4.550 9.473 -1.729 772 HG2 GLU 100 2HG GLU 100 5.615 7.429 -2.663 773 HG3 GLU 100 3HG GLU 100 4.244 7.227 -3.755 774 H PHE 101 H PHE 101 3.152 5.336 -0.797 775 HA PHE 101 HA PHE 101 5.546 5.202 0.908 776 HB2 PHE 101 2HB PHE 101 3.426 3.105 0.266 777 HB3 PHE 101 3HB PHE 101 4.806 2.841 1.326 778 HD1 PHE 101 HD1 PHE 101 5.010 4.313 3.431 779 HD2 PHE 101 HD2 PHE 101 1.401 4.019 1.143 780 HE1 PHE 101 HE1 PHE 101 3.713 5.141 5.355 781 HE2 PHE 101 HE2 PHE 101 0.116 4.841 3.080 782 HZ PHE 101 HZ PHE 101 1.273 5.398 5.182 783 H GLN 102 H GLN 102 7.421 4.620 0.068 784 HA GLN 102 HA GLN 102 7.548 3.263 -2.575 785 HB2 GLN 102 2HB GLN 102 9.594 4.595 -3.052 786 HB3 GLN 102 3HB GLN 102 8.186 5.621 -2.810 787 HG2 GLN 102 2HG GLN 102 8.942 6.145 -0.522 788 HG3 GLN 102 3HG GLN 102 10.350 5.109 -0.743 789 HE21 GLN 102 1HE2 GLN 102 10.273 7.911 -0.089 790 HE22 GLN 102 2HE2 GLN 102 11.138 8.743 -1.327 791 H HIS 103 H HIS 103 9.095 1.671 -2.842 792 HA HIS 103 HA HIS 103 11.227 1.230 -0.936 793 HB2 HIS 103 2HB HIS 103 9.191 0.025 0.088 794 HB3 HIS 103 3HB HIS 103 9.214 -1.051 -1.305 795 HD1 HIS 103 HD1 HIS 103 10.756 -3.066 -1.106 796 HD2 HIS 103 HD2 HIS 103 11.617 -0.122 1.686 797 HE1 HIS 103 HE1 HIS 103 12.564 -4.014 0.364 798 HE2 HIS 103 HE2 HIS 103 13.171 -2.159 1.929 799 HA PRO 104 HA PRO 104 12.981 0.277 -4.951 800 HB2 PRO 104 2HB PRO 104 15.342 -0.941 -4.182 801 HB3 PRO 104 3HB PRO 104 15.062 0.807 -4.057 802 HG2 PRO 104 2HG PRO 104 14.779 -1.294 -1.914 803 HG3 PRO 104 3HG PRO 104 15.599 0.288 -1.836 804 HD2 PRO 104 2HD PRO 104 13.135 -0.016 -0.836 805 HD3 PRO 104 3HD PRO 104 13.580 1.477 -1.696 806 H CYS 105 H CYS 105 12.332 -2.264 -2.657 807 HA CYS 105 HA CYS 105 12.684 -4.415 -4.646 808 HB2 CYS 105 2HB CYS 105 11.999 -4.707 -1.699 809 HB3 CYS 105 3HB CYS 105 12.609 -5.954 -2.787 810 HG CYS 105 HG CYS 105 15.102 -5.540 -2.351 811 H PHE 106 H PHE 106 10.291 -2.315 -4.041 812 HA PHE 106 HA PHE 106 8.085 -4.269 -4.388 813 HB2 PHE 106 2HB PHE 106 7.828 -2.664 -2.455 814 HB3 PHE 106 3HB PHE 106 7.921 -1.315 -3.575 815 HD1 PHE 106 HD1 PHE 106 5.802 -4.065 -2.315 816 HD2 PHE 106 HD2 PHE 106 5.977 -0.763 -5.037 817 HE1 PHE 106 HE1 PHE 106 3.361 -4.176 -2.614 818 HE2 PHE 106 HE2 PHE 106 3.533 -0.885 -5.330 819 HZ PHE 106 HZ PHE 106 2.225 -2.590 -4.120 820 H LEU 107 H LEU 107 8.214 -4.617 -6.615 821 HA LEU 107 HA LEU 107 7.640 -2.278 -8.344 822 HB2 LEU 107 2HB LEU 107 9.178 -4.802 -9.028 823 HB3 LEU 107 3HB LEU 107 8.690 -3.607 -10.214 824 HG LEU 107 HG LEU 107 10.646 -3.110 -7.930 825 HD11 LEU 107 1HD1 LEU 107 12.391 -3.083 -9.645 826 HD12 LEU 107 2HD1 LEU 107 11.205 -3.478 -10.892 827 HD13 LEU 107 3HD1 LEU 107 11.572 -4.645 -9.620 828 HD21 LEU 107 3HD2 LEU 107 9.857 -1.318 -10.252 829 HD22 LEU 107 1HD2 LEU 107 11.122 -0.979 -9.065 830 HD23 LEU 107 2HD2 LEU 107 9.439 -1.074 -8.553 831 H ARG 108 H ARG 108 5.983 -2.550 -9.865 832 HA ARG 108 HA ARG 108 4.089 -4.697 -9.345 833 HB2 ARG 108 2HB ARG 108 3.329 -2.334 -9.729 834 HB3 ARG 108 3HB ARG 108 3.906 -2.447 -11.392 835 HG2 ARG 108 2HG ARG 108 2.320 -4.415 -11.698 836 HG3 ARG 108 3HG ARG 108 1.662 -4.038 -10.109 837 HD2 ARG 108 2HD ARG 108 0.975 -1.820 -10.920 838 HD3 ARG 108 3HD ARG 108 1.654 -2.186 -12.511 839 HE ARG 108 HE ARG 108 -0.543 -3.764 -11.308 840 HH11 ARG 108 1HH1 ARG 108 0.817 -2.117 -14.085 841 HH12 ARG 108 2HH1 ARG 108 -0.485 -2.557 -15.146 842 HH21 ARG 108 1HH2 ARG 108 -2.282 -4.295 -12.668 843 HH22 ARG 108 2HH2 ARG 108 -2.255 -3.798 -14.334 844 H GLY 109 H GLY 109 4.705 -6.605 -10.166 845 HA2 GLY 109 2HA GLY 109 4.520 -7.935 -12.268 846 HA3 GLY 109 3HA GLY 109 5.683 -6.812 -12.972 847 H GLN 110 H GLN 110 7.352 -6.495 -10.711 848 HA GLN 110 HA GLN 110 8.864 -9.003 -10.701 849 HB2 GLN 110 2HB GLN 110 9.801 -6.542 -11.007 850 HB3 GLN 110 3HB GLN 110 9.694 -6.468 -9.259 851 HG2 GLN 110 2HG GLN 110 11.929 -7.054 -9.703 852 HG3 GLN 110 3HG GLN 110 11.165 -8.567 -9.213 853 HE21 GLN 110 1HE2 GLN 110 12.441 -6.737 -11.891 854 HE22 GLN 110 2HE2 GLN 110 12.563 -8.043 -13.010 855 H GLU 111 H GLU 111 6.680 -9.622 -9.501 856 HA GLU 111 HA GLU 111 6.254 -9.033 -6.788 857 HB2 GLU 111 2HB GLU 111 4.771 -11.027 -6.792 858 HB3 GLU 111 3HB GLU 111 4.484 -9.973 -8.170 859 HG2 GLU 111 2HG GLU 111 5.798 -11.514 -9.611 860 HG3 GLU 111 3HG GLU 111 6.057 -12.573 -8.227 861 H GLN 112 H GLN 112 8.567 -11.112 -8.263 862 HA GLN 112 HA GLN 112 9.084 -12.940 -6.188 863 HB2 GLN 112 2HB GLN 112 11.212 -13.368 -7.331 864 HB3 GLN 112 3HB GLN 112 9.893 -13.255 -8.488 865 HG2 GLN 112 2HG GLN 112 10.606 -10.903 -8.999 866 HG3 GLN 112 3HG GLN 112 11.973 -11.129 -7.906 867 HE21 GLN 112 1HE2 GLN 112 13.525 -10.841 -9.517 868 HE22 GLN 112 2HE2 GLN 112 13.778 -11.986 -10.783 869 H LEU 113 H LEU 113 9.878 -9.561 -6.385 870 HA LEU 113 HA LEU 113 12.032 -9.731 -4.396 871 HB2 LEU 113 2HB LEU 113 10.894 -7.367 -5.933 872 HB3 LEU 113 3HB LEU 113 12.157 -7.221 -4.723 873 HG LEU 113 HG LEU 113 12.372 -8.649 -7.404 874 HD11 LEU 113 1HD1 LEU 113 13.788 -6.166 -6.359 875 HD12 LEU 113 2HD1 LEU 113 12.491 -6.196 -7.557 876 HD13 LEU 113 3HD1 LEU 113 14.049 -6.926 -7.933 877 HD21 LEU 113 3HD2 LEU 113 14.451 -8.473 -5.194 878 HD22 LEU 113 1HD2 LEU 113 14.730 -9.107 -6.819 879 HD23 LEU 113 2HD2 LEU 113 13.612 -9.931 -5.733 880 H LEU 114 H LEU 114 8.640 -9.423 -4.371 881 HA LEU 114 HA LEU 114 8.256 -7.644 -2.175 882 HB2 LEU 114 2HB LEU 114 6.467 -9.943 -3.037 883 HB3 LEU 114 3HB LEU 114 5.996 -8.592 -2.016 884 HG LEU 114 HG LEU 114 6.721 -8.431 -4.963 885 HD11 LEU 114 1HD1 LEU 114 4.351 -7.938 -5.314 886 HD12 LEU 114 2HD1 LEU 114 4.032 -8.134 -3.589 887 HD13 LEU 114 3HD1 LEU 114 4.562 -9.515 -4.554 888 HD21 LEU 114 3HD2 LEU 114 5.818 -6.216 -3.092 889 HD22 LEU 114 1HD2 LEU 114 6.014 -6.074 -4.842 890 HD23 LEU 114 2HD2 LEU 114 7.417 -6.385 -3.822 891 H GLU 115 H GLU 115 8.801 -11.101 -2.423 892 HA GLU 115 HA GLU 115 8.563 -11.643 0.400 893 HB2 GLU 115 2HB GLU 115 9.407 -13.897 -0.192 894 HB3 GLU 115 3HB GLU 115 8.044 -13.388 -1.177 895 HG2 GLU 115 2HG GLU 115 9.620 -12.808 -3.017 896 HG3 GLU 115 3HG GLU 115 10.948 -13.415 -2.027 897 H ASN 116 H ASN 116 10.927 -10.099 -1.369 898 HA ASN 116 HA ASN 116 13.089 -10.760 0.530 899 HB2 ASN 116 2HB ASN 116 13.141 -9.315 -2.157 900 HB3 ASN 116 3HB ASN 116 14.544 -9.491 -1.109 901 HD21 ASN 116 1HD2 ASN 116 12.342 -11.154 -3.246 902 HD22 ASN 116 2HD2 ASN 116 13.269 -12.596 -3.409 903 H ILE 117 H ILE 117 10.569 -8.607 0.129 904 HA ILE 117 HA ILE 117 11.775 -6.304 1.450 905 HB ILE 117 HB ILE 117 8.814 -6.991 1.084 906 HG12 ILE 117 2HG1 ILE 117 10.551 -5.119 -0.583 907 HG13 ILE 117 3HG1 ILE 117 9.919 -6.674 -1.107 908 HG21 ILE 117 1HG2 ILE 117 10.090 -4.352 1.884 909 HG22 ILE 117 2HG2 ILE 117 9.181 -5.428 2.946 910 HG23 ILE 117 3HG2 ILE 117 8.368 -4.619 1.606 911 HD11 ILE 117 3HD1 ILE 117 8.627 -4.895 -2.061 912 HD12 ILE 117 1HD1 ILE 117 8.306 -4.206 -0.470 913 HD13 ILE 117 2HD1 ILE 117 7.628 -5.779 -0.906 914 H LYS 118 H LYS 118 12.208 -6.369 3.617 915 HA LYS 118 HA LYS 118 11.078 -8.598 5.214 916 HB2 LYS 118 2HB LYS 118 13.680 -7.074 5.619 917 HB3 LYS 118 3HB LYS 118 13.125 -8.422 6.594 918 HG2 LYS 118 2HG LYS 118 13.814 -8.640 3.647 919 HG3 LYS 118 3HG LYS 118 14.957 -8.941 4.951 920 HD2 LYS 118 2HD LYS 118 14.262 -11.102 4.420 921 HD3 LYS 118 3HD LYS 118 13.205 -10.715 5.771 922 HE2 LYS 118 2HE LYS 118 11.341 -10.349 4.296 923 HE3 LYS 118 3HE LYS 118 12.377 -10.403 2.869 924 HZ1 LYS 118 3HZ LYS 118 11.121 -12.468 3.225 925 HZ2 LYS 118 1HZ LYS 118 11.910 -12.700 4.700 926 HZ3 LYS 118 2HZ LYS 118 12.788 -12.728 3.256 927 H ARG 119 H ARG 119 9.973 -8.130 7.048 928 HA ARG 119 HA ARG 119 9.639 -5.345 7.903 929 HB2 ARG 119 2HB ARG 119 7.917 -6.286 9.501 930 HB3 ARG 119 3HB ARG 119 7.553 -6.493 7.793 931 HG2 ARG 119 2HG ARG 119 8.274 -8.835 7.905 932 HG3 ARG 119 3HG ARG 119 8.668 -8.645 9.616 933 HD2 ARG 119 2HD ARG 119 6.364 -8.306 10.195 934 HD3 ARG 119 3HD ARG 119 5.889 -8.147 8.502 935 HE ARG 119 HE ARG 119 6.810 -10.621 8.468 936 HH11 ARG 119 1HH1 ARG 119 4.712 -9.130 10.895 937 HH12 ARG 119 2HH1 ARG 119 3.926 -10.627 11.293 938 HH21 ARG 119 1HH2 ARG 119 5.713 -12.528 8.941 939 HH22 ARG 119 2HH2 ARG 119 4.496 -12.550 10.183 940 H LYS 120 H LYS 120 11.370 -8.183 8.787 941 HA LYS 120 HA LYS 120 12.531 -6.807 11.130 942 HB2 LYS 120 2HB LYS 120 12.000 -9.819 10.940 943 HB3 LYS 120 3HB LYS 120 12.760 -8.986 12.294 944 HG2 LYS 120 2HG LYS 120 10.648 -7.791 12.752 945 HG3 LYS 120 3HG LYS 120 9.895 -8.602 11.375 946 HD2 LYS 120 2HD LYS 120 10.257 -10.800 12.508 947 HD3 LYS 120 3HD LYS 120 10.938 -9.945 13.897 948 HE2 LYS 120 2HE LYS 120 8.784 -8.782 14.230 949 HE3 LYS 120 3HE LYS 120 8.111 -9.636 12.841 950 HZ1 LYS 120 3HZ LYS 120 8.323 -11.699 13.992 951 HZ2 LYS 120 1HZ LYS 120 7.513 -10.618 14.998 952 HZ3 LYS 120 2HZ LYS 120 9.136 -10.979 15.281 953 H VAL 121 H VAL 121 14.777 -7.255 11.461 954 HA VAL 121 HA VAL 121 16.309 -7.540 9.060 955 HB VAL 121 HB VAL 121 16.974 -6.001 10.876 956 HG11 VAL 121 1HG1 VAL 121 17.605 -8.463 12.530 957 HG12 VAL 121 2HG1 VAL 121 16.298 -7.314 12.823 958 HG13 VAL 121 3HG1 VAL 121 17.976 -6.793 12.976 959 HG21 VAL 121 3HG2 VAL 121 19.403 -6.475 10.920 960 HG22 VAL 121 1HG2 VAL 121 18.714 -6.713 9.313 961 HG23 VAL 121 2HG2 VAL 121 19.095 -8.108 10.324 962 H THR 122 H THR 122 15.301 -9.714 11.560 963 HA THR 122 HA THR 122 17.039 -11.912 10.803 964 HB THR 122 HB THR 122 15.577 -13.232 12.377 965 HG1 THR 122 HG1 THR 122 14.363 -11.027 13.463 966 HG21 THR 122 3HG2 THR 122 17.593 -12.103 13.248 967 HG22 THR 122 1HG2 THR 122 16.297 -12.104 14.445 968 HG23 THR 122 2HG2 THR 122 16.654 -10.636 13.534 969 H SER 123 H SER 123 15.682 -14.105 10.473 970 HA SER 123 HA SER 123 14.568 -13.948 7.848 971 HB2 SER 123 2HB SER 123 15.951 -15.870 8.653 972 HB3 SER 123 3HB SER 123 14.666 -16.324 9.768 973 HG SER 123 HG SER 123 14.941 -17.204 7.392 974 H VAL 124 H VAL 124 12.476 -13.442 7.343 975 HA VAL 124 HA VAL 124 10.214 -14.285 8.947 976 HB VAL 124 HB VAL 124 11.068 -12.233 10.148 977 HG11 VAL 124 1HG1 VAL 124 11.977 -10.989 8.260 978 HG12 VAL 124 2HG1 VAL 124 10.813 -9.999 9.142 979 HG13 VAL 124 3HG1 VAL 124 10.357 -10.738 7.604 980 HG21 VAL 124 3HG2 VAL 124 8.887 -11.092 10.373 981 HG22 VAL 124 1HG2 VAL 124 8.704 -12.849 10.349 982 HG23 VAL 124 2HG2 VAL 124 8.308 -11.900 8.913 983 H SER 125 H SER 125 8.192 -13.959 7.858 984 HA SER 125 HA SER 125 8.237 -12.759 5.154 985 HB2 SER 125 2HB SER 125 6.595 -15.206 5.988 986 HB3 SER 125 3HB SER 125 6.615 -14.460 4.388 987 HG SER 125 HG SER 125 9.035 -14.943 4.617 Start of MODEL 3 1 H1 MET 1 1H MET 1 39.837 -9.635 7.440 2 H2 MET 1 2H MET 1 40.866 -9.796 8.769 3 H3 MET 1 3H MET 1 39.212 -9.529 9.009 4 HA MET 1 HA MET 1 40.415 -11.928 7.747 5 HB2 MET 1 2HB MET 1 39.157 -11.564 10.509 6 HB3 MET 1 3HB MET 1 39.602 -13.120 9.818 7 HG2 MET 1 2HG MET 1 41.965 -12.366 9.751 8 HG3 MET 1 3HG MET 1 41.475 -10.867 10.546 9 HE1 MET 1 3HE MET 1 43.357 -12.880 13.391 10 HE2 MET 1 1HE MET 1 43.294 -11.349 12.524 11 HE3 MET 1 2HE MET 1 43.762 -12.827 11.676 12 H GLY 2 H GLY 2 39.023 -13.197 6.642 13 HA2 GLY 2 2HA GLY 2 36.511 -13.963 6.834 14 HA3 GLY 2 3HA GLY 2 36.233 -12.306 6.304 15 H HIS 3 H HIS 3 36.684 -15.458 5.236 16 HA HIS 3 HA HIS 3 37.246 -14.551 2.463 17 HB2 HIS 3 2HB HIS 3 39.071 -16.003 3.548 18 HB3 HIS 3 3HB HIS 3 37.920 -17.331 3.541 19 HD1 HIS 3 HD1 HIS 3 37.610 -18.584 1.317 20 HD2 HIS 3 HD2 HIS 3 39.983 -15.193 0.938 21 HE1 HIS 3 HE1 HIS 3 38.587 -18.694 -0.993 22 HE2 HIS 3 HE2 HIS 3 39.948 -16.601 -1.223 23 H HIS 4 H HIS 4 34.816 -15.354 4.388 24 HA HIS 4 HA HIS 4 33.239 -16.827 2.338 25 HB2 HIS 4 2HB HIS 4 33.093 -17.074 5.387 26 HB3 HIS 4 3HB HIS 4 31.888 -17.743 4.294 27 HD1 HIS 4 HD1 HIS 4 32.300 -20.069 3.496 28 HD2 HIS 4 HD2 HIS 4 35.730 -18.321 5.063 29 HE1 HIS 4 HE1 HIS 4 34.012 -21.897 3.592 30 HE2 HIS 4 HE2 HIS 4 36.117 -20.784 4.381 31 H HIS 5 H HIS 5 30.856 -16.414 2.563 32 HA HIS 5 HA HIS 5 30.002 -14.135 4.146 33 HB2 HIS 5 2HB HIS 5 28.982 -12.874 2.311 34 HB3 HIS 5 3HB HIS 5 30.706 -13.028 2.028 35 HD1 HIS 5 HD1 HIS 5 27.759 -12.975 0.174 36 HD2 HIS 5 HD2 HIS 5 31.034 -15.526 0.162 37 HE1 HIS 5 HE1 HIS 5 27.746 -14.082 -2.075 38 HE2 HIS 5 HE2 HIS 5 29.857 -15.448 -2.122 39 H HIS 6 H HIS 6 28.227 -14.825 5.137 40 HA HIS 6 HA HIS 6 26.581 -16.994 4.113 41 HB2 HIS 6 2HB HIS 6 26.344 -15.338 6.669 42 HB3 HIS 6 3HB HIS 6 25.303 -16.705 6.264 43 HD1 HIS 6 HD1 HIS 6 26.065 -18.894 7.197 44 HD2 HIS 6 HD2 HIS 6 29.219 -16.214 6.795 45 HE1 HIS 6 HE1 HIS 6 28.073 -20.058 8.151 46 HE2 HIS 6 HE2 HIS 6 29.965 -18.429 7.873 47 H HIS 7 H HIS 7 24.381 -16.809 3.572 48 HA HIS 7 HA HIS 7 23.242 -14.192 3.005 49 HB2 HIS 7 2HB HIS 7 23.197 -14.598 0.514 50 HB3 HIS 7 3HB HIS 7 24.821 -14.347 1.149 51 HD1 HIS 7 HD1 HIS 7 22.664 -16.918 -0.500 52 HD2 HIS 7 HD2 HIS 7 26.514 -16.630 1.039 53 HE1 HIS 7 HE1 HIS 7 23.870 -18.973 -1.285 54 HE2 HIS 7 HE2 HIS 7 26.116 -18.864 -0.187 55 H HIS 8 H HIS 8 21.096 -14.327 2.201 56 HA HIS 8 HA HIS 8 19.599 -16.553 3.211 57 HB2 HIS 8 2HB HIS 8 18.636 -14.148 1.595 58 HB3 HIS 8 3HB HIS 8 17.611 -15.264 2.495 59 HD1 HIS 8 HD1 HIS 8 19.379 -12.106 2.852 60 HD2 HIS 8 HD2 HIS 8 18.177 -15.158 5.413 61 HE1 HIS 8 HE1 HIS 8 19.535 -11.153 5.174 62 HE2 HIS 8 HE2 HIS 8 18.954 -13.060 6.697 63 H SER 9 H SER 9 20.095 -18.372 2.058 64 HA SER 9 HA SER 9 19.902 -18.404 -0.871 65 HB2 SER 9 2HB SER 9 21.919 -19.398 0.168 66 HB3 SER 9 3HB SER 9 20.911 -20.537 1.062 67 HG SER 9 HG SER 9 21.906 -21.214 -1.046 68 H HIS 10 H HIS 10 17.929 -18.768 -1.638 69 HA HIS 10 HA HIS 10 16.573 -21.251 -1.060 70 HB2 HIS 10 2HB HIS 10 14.312 -20.118 -0.758 71 HB3 HIS 10 3HB HIS 10 15.406 -19.935 0.605 72 HD1 HIS 10 HD1 HIS 10 16.128 -17.590 1.234 73 HD2 HIS 10 HD2 HIS 10 13.767 -17.688 -2.188 74 HE1 HIS 10 HE1 HIS 10 15.506 -15.207 0.768 75 HE2 HIS 10 HE2 HIS 10 14.181 -15.279 -1.366 76 H MET 11 H MET 11 15.785 -22.051 -2.939 77 HA MET 11 HA MET 11 15.802 -20.443 -5.376 78 HB2 MET 11 2HB MET 11 15.213 -22.596 -6.497 79 HB3 MET 11 3HB MET 11 16.662 -22.716 -5.514 80 HG2 MET 11 2HG MET 11 15.498 -24.716 -5.097 81 HG3 MET 11 3HG MET 11 15.162 -23.714 -3.691 82 HE1 MET 11 3HE MET 11 12.144 -24.649 -7.056 83 HE2 MET 11 1HE MET 11 13.712 -25.438 -6.890 84 HE3 MET 11 2HE MET 11 13.624 -23.736 -7.349 85 H ALA 12 H ALA 12 13.775 -20.834 -6.885 86 HA ALA 12 HA ALA 12 11.582 -19.522 -5.503 87 HB1 ALA 12 3HB ALA 12 10.693 -19.054 -7.742 88 HB2 ALA 12 1HB ALA 12 11.900 -20.120 -8.466 89 HB3 ALA 12 2HB ALA 12 12.404 -18.634 -7.658 90 H GLY 13 H GLY 13 11.443 -21.875 -4.380 91 HA2 GLY 13 2HA GLY 13 9.374 -23.535 -5.624 92 HA3 GLY 13 3HA GLY 13 10.050 -23.716 -4.010 93 HA PRO 14 HA PRO 14 6.535 -21.077 -2.754 94 HB2 PRO 14 2HB PRO 14 6.751 -21.418 -0.042 95 HB3 PRO 14 3HB PRO 14 6.070 -22.667 -1.102 96 HG2 PRO 14 2HG PRO 14 8.640 -22.671 0.331 97 HG3 PRO 14 3HG PRO 14 7.742 -24.030 -0.373 98 HD2 PRO 14 2HD PRO 14 10.008 -22.573 -1.513 99 HD3 PRO 14 3HD PRO 14 9.210 -24.039 -2.127 100 H SER 15 H SER 15 7.270 -19.058 -3.358 101 HA SER 15 HA SER 15 9.563 -17.742 -2.437 102 HB2 SER 15 2HB SER 15 7.012 -16.681 -3.691 103 HB3 SER 15 3HB SER 15 8.406 -15.655 -3.335 104 HG SER 15 HG SER 15 9.665 -17.056 -4.625 105 H ASN 16 H ASN 16 9.865 -16.063 -0.991 106 HA ASN 16 HA ASN 16 8.472 -16.508 1.535 107 HB2 ASN 16 2HB ASN 16 10.981 -14.907 0.832 108 HB3 ASN 16 3HB ASN 16 10.405 -15.208 2.468 109 HD21 ASN 16 1HD2 ASN 16 11.621 -16.787 -0.460 110 HD22 ASN 16 2HD2 ASN 16 12.239 -18.181 0.359 111 H VAL 17 H VAL 17 7.353 -14.795 -0.755 112 HA VAL 17 HA VAL 17 7.043 -12.136 0.182 113 HB VAL 17 HB VAL 17 5.164 -13.772 -1.609 114 HG11 VAL 17 1HG1 VAL 17 4.068 -11.757 -0.703 115 HG12 VAL 17 2HG1 VAL 17 4.356 -11.583 -2.434 116 HG13 VAL 17 3HG1 VAL 17 5.405 -10.757 -1.282 117 HG21 VAL 17 3HG2 VAL 17 6.323 -12.717 -3.526 118 HG22 VAL 17 1HG2 VAL 17 7.440 -13.684 -2.559 119 HG23 VAL 17 2HG2 VAL 17 7.446 -11.923 -2.418 120 HA PRO 18 HA PRO 18 4.236 -13.296 3.668 121 HB2 PRO 18 2HB PRO 18 3.938 -10.293 3.791 122 HB3 PRO 18 3HB PRO 18 4.341 -11.437 5.091 123 HG2 PRO 18 2HG PRO 18 6.233 -9.874 4.084 124 HG3 PRO 18 3HG PRO 18 6.588 -11.575 4.471 125 HD2 PRO 18 2HD PRO 18 6.022 -10.346 1.766 126 HD3 PRO 18 3HD PRO 18 7.273 -11.527 2.228 127 H ALA 19 H ALA 19 1.980 -13.445 3.799 128 HA ALA 19 HA ALA 19 0.314 -13.202 1.617 129 HB1 ALA 19 3HB ALA 19 -0.224 -14.550 3.612 130 HB2 ALA 19 1HB ALA 19 -1.560 -13.471 3.200 131 HB3 ALA 19 2HB ALA 19 -0.489 -13.077 4.548 132 H PHE 20 H PHE 20 0.815 -10.852 4.253 133 HA PHE 20 HA PHE 20 -0.927 -8.847 3.608 134 HB2 PHE 20 2HB PHE 20 0.525 -8.908 5.639 135 HB3 PHE 20 3HB PHE 20 1.925 -8.516 4.655 136 HD1 PHE 20 HD1 PHE 20 2.124 -6.208 3.644 137 HD2 PHE 20 HD2 PHE 20 -1.023 -7.189 6.370 138 HE1 PHE 20 HE1 PHE 20 1.673 -3.822 3.991 139 HE2 PHE 20 HE2 PHE 20 -1.465 -4.790 6.707 140 HZ PHE 20 HZ PHE 20 -0.116 -3.109 5.517 141 H LEU 21 H LEU 21 2.331 -9.419 2.174 142 HA LEU 21 HA LEU 21 2.312 -6.920 0.719 143 HB2 LEU 21 2HB LEU 21 4.254 -9.254 0.727 144 HB3 LEU 21 3HB LEU 21 4.433 -7.907 -0.386 145 HG LEU 21 HG LEU 21 4.649 -7.808 2.644 146 HD11 LEU 21 1HD1 LEU 21 6.673 -7.217 0.459 147 HD12 LEU 21 2HD1 LEU 21 6.624 -8.666 1.465 148 HD13 LEU 21 3HD1 LEU 21 6.951 -7.099 2.200 149 HD21 LEU 21 3HD2 LEU 21 4.701 -5.468 0.700 150 HD22 LEU 21 1HD2 LEU 21 5.120 -5.393 2.414 151 HD23 LEU 21 2HD2 LEU 21 3.473 -5.786 1.928 152 H THR 22 H THR 22 1.745 -10.348 -0.130 153 HA THR 22 HA THR 22 1.680 -9.891 -2.944 154 HB THR 22 HB THR 22 2.096 -12.152 -1.976 155 HG1 THR 22 HG1 THR 22 0.289 -13.160 -3.421 156 HG21 THR 22 3HG2 THR 22 0.431 -12.159 -0.156 157 HG22 THR 22 1HG2 THR 22 0.240 -13.561 -1.208 158 HG23 THR 22 2HG2 THR 22 -0.873 -12.197 -1.345 159 H LYS 23 H LYS 23 -0.817 -9.882 -0.406 160 HA LYS 23 HA LYS 23 -3.043 -9.447 -2.185 161 HB2 LYS 23 2HB LYS 23 -2.819 -9.048 0.827 162 HB3 LYS 23 3HB LYS 23 -4.321 -8.961 -0.096 163 HG2 LYS 23 2HG LYS 23 -3.879 -11.364 -0.840 164 HG3 LYS 23 3HG LYS 23 -2.563 -11.395 0.336 165 HD2 LYS 23 2HD LYS 23 -4.488 -12.392 1.392 166 HD3 LYS 23 3HD LYS 23 -4.253 -10.805 2.129 167 HE2 LYS 23 2HE LYS 23 -6.025 -9.869 0.701 168 HE3 LYS 23 3HE LYS 23 -6.248 -11.439 -0.072 169 HZ1 LYS 23 3HZ LYS 23 -6.758 -10.776 2.785 170 HZ2 LYS 23 1HZ LYS 23 -6.874 -12.334 2.128 171 HZ3 LYS 23 2HZ LYS 23 -7.913 -11.113 1.601 172 H LEU 24 H LEU 24 -0.949 -7.350 -0.179 173 HA LEU 24 HA LEU 24 -2.084 -4.870 -0.742 174 HB2 LEU 24 2HB LEU 24 -0.329 -5.106 0.933 175 HB3 LEU 24 3HB LEU 24 0.826 -5.630 -0.282 176 HG LEU 24 HG LEU 24 0.763 -3.344 -1.308 177 HD11 LEU 24 1HD1 LEU 24 -0.276 -1.469 -0.104 178 HD12 LEU 24 2HD1 LEU 24 -1.032 -2.603 1.017 179 HD13 LEU 24 3HD1 LEU 24 -1.467 -2.627 -0.693 180 HD21 LEU 24 3HD2 LEU 24 1.479 -3.360 1.640 181 HD22 LEU 24 1HD2 LEU 24 2.043 -2.195 0.437 182 HD23 LEU 24 2HD2 LEU 24 2.512 -3.888 0.306 183 H TRP 25 H TRP 25 0.394 -6.677 -2.563 184 HA TRP 25 HA TRP 25 0.890 -4.845 -4.613 185 HB2 TRP 25 2HB TRP 25 2.265 -6.859 -4.100 186 HB3 TRP 25 3HB TRP 25 0.987 -7.896 -4.721 187 HD1 TRP 25 HD1 TRP 25 3.731 -5.453 -5.921 188 HE1 TRP 25 HE1 TRP 25 4.158 -5.888 -8.416 189 HE3 TRP 25 HE3 TRP 25 -0.092 -8.734 -6.867 190 HZ2 TRP 25 HZ2 TRP 25 3.046 -7.406 -10.500 191 HZ3 TRP 25 HZ3 TRP 25 -0.338 -9.629 -9.148 192 HH2 TRP 25 HH2 TRP 25 1.203 -8.973 -10.927 193 H THR 26 H THR 26 -1.434 -7.533 -4.450 194 HA THR 26 HA THR 26 -2.725 -7.270 -6.920 195 HB THR 26 HB THR 26 -3.850 -8.236 -4.248 196 HG1 THR 26 HG1 THR 26 -1.904 -9.295 -5.297 197 HG21 THR 26 3HG2 THR 26 -4.856 -8.822 -7.059 198 HG22 THR 26 1HG2 THR 26 -5.685 -7.829 -5.852 199 HG23 THR 26 2HG2 THR 26 -5.466 -9.555 -5.574 200 H LEU 27 H LEU 27 -3.280 -5.659 -3.813 201 HA LEU 27 HA LEU 27 -5.669 -4.266 -4.388 202 HB2 LEU 27 2HB LEU 27 -4.994 -4.742 -2.119 203 HB3 LEU 27 3HB LEU 27 -3.443 -3.957 -2.334 204 HG LEU 27 HG LEU 27 -4.526 -1.751 -2.370 205 HD11 LEU 27 1HD1 LEU 27 -7.144 -3.185 -1.914 206 HD12 LEU 27 2HD1 LEU 27 -6.644 -2.439 -3.431 207 HD13 LEU 27 3HD1 LEU 27 -6.878 -1.446 -2.001 208 HD21 LEU 27 3HD2 LEU 27 -5.257 -1.656 -0.025 209 HD22 LEU 27 1HD2 LEU 27 -3.824 -2.671 -0.196 210 HD23 LEU 27 2HD2 LEU 27 -5.413 -3.415 0.019 211 H VAL 28 H VAL 28 -2.279 -3.264 -4.413 212 HA VAL 28 HA VAL 28 -2.483 -0.621 -5.301 213 HB VAL 28 HB VAL 28 -0.283 -2.732 -5.404 214 HG11 VAL 28 1HG1 VAL 28 0.218 -1.192 -7.241 215 HG12 VAL 28 2HG1 VAL 28 1.370 -0.985 -5.919 216 HG13 VAL 28 3HG1 VAL 28 0.068 0.184 -6.147 217 HG21 VAL 28 3HG2 VAL 28 0.704 -1.433 -3.559 218 HG22 VAL 28 1HG2 VAL 28 -0.949 -1.918 -3.170 219 HG23 VAL 28 2HG2 VAL 28 -0.610 -0.259 -3.666 220 H SER 29 H SER 29 -2.405 -3.673 -7.032 221 HA SER 29 HA SER 29 -2.238 -2.458 -9.681 222 HB2 SER 29 2HB SER 29 -0.899 -4.464 -9.265 223 HB3 SER 29 3HB SER 29 -2.328 -5.367 -8.762 224 HG SER 29 HG SER 29 -3.063 -5.364 -10.840 225 H ASP 30 H ASP 30 -4.739 -2.974 -7.519 226 HA ASP 30 HA ASP 30 -6.705 -4.164 -9.288 227 HB2 ASP 30 2HB ASP 30 -6.698 -4.694 -6.871 228 HB3 ASP 30 3HB ASP 30 -6.996 -3.003 -6.486 229 HA PRO 31 HA PRO 31 -7.930 -0.070 -10.872 230 HB2 PRO 31 2HB PRO 31 -9.797 -0.927 -12.682 231 HB3 PRO 31 3HB PRO 31 -8.050 -1.072 -12.976 232 HG2 PRO 31 2HG PRO 31 -9.962 -3.169 -11.980 233 HG3 PRO 31 3HG PRO 31 -8.706 -3.301 -13.233 234 HD2 PRO 31 2HD PRO 31 -8.300 -4.175 -10.689 235 HD3 PRO 31 3HD PRO 31 -6.980 -3.497 -11.673 236 H ASP 32 H ASP 32 -10.019 -2.460 -9.329 237 HA ASP 32 HA ASP 32 -12.393 -0.897 -9.139 238 HB2 ASP 32 2HB ASP 32 -12.453 -3.323 -8.741 239 HB3 ASP 32 3HB ASP 32 -11.395 -3.164 -7.347 240 H THR 33 H THR 33 -9.471 -1.123 -7.184 241 HA THR 33 HA THR 33 -10.556 0.704 -5.117 242 HB THR 33 HB THR 33 -8.554 -0.032 -3.762 243 HG1 THR 33 HG1 THR 33 -7.137 -0.776 -5.282 244 HG21 THR 33 3HG2 THR 33 -10.365 -2.296 -4.682 245 HG22 THR 33 1HG2 THR 33 -10.732 -1.147 -3.392 246 HG23 THR 33 2HG2 THR 33 -9.402 -2.293 -3.204 247 H ASP 34 H ASP 34 -9.020 0.991 -7.949 248 HA ASP 34 HA ASP 34 -6.619 2.351 -7.680 249 HB2 ASP 34 2HB ASP 34 -7.393 1.525 -9.820 250 HB3 ASP 34 3HB ASP 34 -8.827 2.535 -9.772 251 H ALA 35 H ALA 35 -9.856 3.547 -7.201 252 HA ALA 35 HA ALA 35 -9.435 6.319 -7.389 253 HB1 ALA 35 3HB ALA 35 -11.646 5.264 -7.456 254 HB2 ALA 35 1HB ALA 35 -11.587 6.522 -6.219 255 HB3 ALA 35 2HB ALA 35 -11.499 4.819 -5.756 256 H LEU 36 H LEU 36 -8.941 4.099 -4.630 257 HA LEU 36 HA LEU 36 -8.088 6.394 -2.938 258 HB2 LEU 36 2HB LEU 36 -9.256 3.720 -2.066 259 HB3 LEU 36 3HB LEU 36 -8.633 4.943 -0.966 260 HG LEU 36 HG LEU 36 -11.058 5.237 -2.777 261 HD11 LEU 36 1HD1 LEU 36 -11.424 3.775 -0.832 262 HD12 LEU 36 2HD1 LEU 36 -12.363 5.261 -0.731 263 HD13 LEU 36 3HD1 LEU 36 -10.902 5.076 0.245 264 HD21 LEU 36 3HD2 LEU 36 -9.931 7.392 -2.591 265 HD22 LEU 36 1HD2 LEU 36 -9.879 7.250 -0.831 266 HD23 LEU 36 2HD2 LEU 36 -11.427 7.415 -1.665 267 H ILE 37 H ILE 37 -6.969 3.554 -4.497 268 HA ILE 37 HA ILE 37 -4.302 4.094 -3.568 269 HB ILE 37 HB ILE 37 -4.955 2.648 -1.729 270 HG12 ILE 37 2HG1 ILE 37 -3.144 1.080 -3.633 271 HG13 ILE 37 3HG1 ILE 37 -2.624 2.422 -2.624 272 HG21 ILE 37 1HG2 ILE 37 -5.720 0.529 -3.762 273 HG22 ILE 37 2HG2 ILE 37 -6.840 1.479 -2.786 274 HG23 ILE 37 3HG2 ILE 37 -5.741 0.344 -2.004 275 HD11 ILE 37 3HD1 ILE 37 -3.140 1.100 -0.617 276 HD12 ILE 37 1HD1 ILE 37 -1.956 0.318 -1.662 277 HD13 ILE 37 2HD1 ILE 37 -3.622 -0.256 -1.642 278 H CYS 38 H CYS 38 -2.946 3.753 -5.173 279 HA CYS 38 HA CYS 38 -3.277 1.622 -7.128 280 HB2 CYS 38 2HB CYS 38 -3.054 3.331 -9.026 281 HB3 CYS 38 3HB CYS 38 -4.611 3.320 -8.198 282 HG CYS 38 HG CYS 38 -4.569 5.732 -7.308 283 H TRP 39 H TRP 39 -1.395 1.480 -8.538 284 HA TRP 39 HA TRP 39 1.121 1.910 -7.283 285 HB2 TRP 39 2HB TRP 39 2.028 1.269 -9.650 286 HB3 TRP 39 3HB TRP 39 1.087 0.072 -8.771 287 HD1 TRP 39 HD1 TRP 39 -1.197 -0.717 -9.829 288 HE1 TRP 39 HE1 TRP 39 -2.333 -0.337 -12.094 289 HE3 TRP 39 HE3 TRP 39 1.731 3.097 -11.597 290 HZ2 TRP 39 HZ2 TRP 39 -2.044 1.340 -14.330 291 HZ3 TRP 39 HZ3 TRP 39 1.233 4.037 -13.815 292 HH2 TRP 39 HH2 TRP 39 -0.623 3.168 -15.156 293 H SER 40 H SER 40 2.739 3.409 -7.704 294 HA SER 40 HA SER 40 2.099 5.955 -8.829 295 HB2 SER 40 2HB SER 40 4.779 4.736 -8.006 296 HB3 SER 40 3HB SER 40 4.480 6.447 -8.308 297 HG SER 40 HG SER 40 4.383 5.991 -6.097 298 HA PRO 41 HA PRO 41 3.528 5.298 -13.140 299 HB2 PRO 41 2HB PRO 41 4.726 7.783 -13.593 300 HB3 PRO 41 3HB PRO 41 2.982 7.481 -13.707 301 HG2 PRO 41 2HG PRO 41 4.532 8.635 -11.406 302 HG3 PRO 41 3HG PRO 41 2.983 9.173 -12.097 303 HD2 PRO 41 2HD PRO 41 3.037 7.723 -9.840 304 HD3 PRO 41 3HD PRO 41 1.767 7.449 -11.059 305 H SER 42 H SER 42 5.641 6.529 -10.605 306 HA SER 42 HA SER 42 8.187 5.937 -11.565 307 HB2 SER 42 2HB SER 42 7.155 5.731 -8.698 308 HB3 SER 42 3HB SER 42 8.841 5.934 -9.179 309 HG SER 42 HG SER 42 8.221 7.947 -10.127 310 H GLY 43 H GLY 43 5.726 3.826 -10.240 311 HA2 GLY 43 2HA GLY 43 5.430 1.565 -10.401 312 HA3 GLY 43 3HA GLY 43 6.950 1.437 -11.262 313 H ASN 44 H ASN 44 7.974 2.943 -8.632 314 HA ASN 44 HA ASN 44 8.668 0.445 -7.207 315 HB2 ASN 44 2HB ASN 44 10.660 1.732 -6.366 316 HB3 ASN 44 3HB ASN 44 10.632 1.569 -8.120 317 HD21 ASN 44 1HD2 ASN 44 10.344 3.408 -9.380 318 HD22 ASN 44 2HD2 ASN 44 10.447 5.008 -8.732 319 H SER 45 H SER 45 6.226 2.152 -6.861 320 HA SER 45 HA SER 45 6.087 2.374 -4.037 321 HB2 SER 45 2HB SER 45 5.708 4.917 -4.050 322 HB3 SER 45 3HB SER 45 7.376 4.404 -4.288 323 HG SER 45 HG SER 45 6.632 6.069 -5.748 324 H PHE 46 H PHE 46 3.926 3.510 -3.434 325 HA PHE 46 HA PHE 46 1.922 3.552 -5.576 326 HB2 PHE 46 2HB PHE 46 0.362 2.072 -4.374 327 HB3 PHE 46 3HB PHE 46 1.838 1.224 -4.795 328 HD1 PHE 46 HD2 PHE 46 3.489 0.623 -2.995 329 HD2 PHE 46 HD1 PHE 46 -0.328 2.310 -2.046 330 HE1 PHE 46 HE2 PHE 46 3.697 -0.192 -0.683 331 HE2 PHE 46 HE1 PHE 46 -0.108 1.488 0.261 332 HZ PHE 46 HZ PHE 46 1.899 0.239 0.945 333 H HIS 47 H HIS 47 0.120 4.831 -5.127 334 HA HIS 47 HA HIS 47 0.421 6.724 -2.875 335 HB2 HIS 47 2HB HIS 47 -1.094 6.974 -5.515 336 HB3 HIS 47 3HB HIS 47 -1.109 8.198 -4.254 337 HD1 HIS 47 HD1 HIS 47 0.980 9.665 -3.991 338 HD2 HIS 47 HD2 HIS 47 1.265 6.885 -7.054 339 HE1 HIS 47 HE1 HIS 47 2.961 10.369 -5.350 340 HE2 HIS 47 HE2 HIS 47 3.259 8.525 -7.025 341 H VAL 48 H VAL 48 -1.344 7.228 -1.583 342 HA VAL 48 HA VAL 48 -3.831 5.643 -1.797 343 HB VAL 48 HB VAL 48 -2.289 6.244 0.779 344 HG11 VAL 48 1HG1 VAL 48 -4.024 4.986 1.984 345 HG12 VAL 48 2HG1 VAL 48 -4.932 4.797 0.484 346 HG13 VAL 48 3HG1 VAL 48 -4.706 6.403 1.178 347 HG21 VAL 48 3HG2 VAL 48 -2.841 3.560 -0.522 348 HG22 VAL 48 1HG2 VAL 48 -2.027 3.804 1.027 349 HG23 VAL 48 2HG2 VAL 48 -1.279 4.380 -0.466 350 H PHE 49 H PHE 49 -5.669 6.840 -1.352 351 HA PHE 49 HA PHE 49 -5.401 9.706 -0.607 352 HB2 PHE 49 2HB PHE 49 -7.292 8.459 -2.658 353 HB3 PHE 49 3HB PHE 49 -7.400 10.125 -2.092 354 HD1 PHE 49 HD1 PHE 49 -5.448 7.752 -4.137 355 HD2 PHE 49 HD2 PHE 49 -5.785 11.808 -2.816 356 HE1 PHE 49 HE1 PHE 49 -3.826 8.454 -5.851 357 HE2 PHE 49 HE2 PHE 49 -4.171 12.498 -4.535 358 HZ PHE 49 HZ PHE 49 -3.198 10.824 -6.047 359 H ASP 50 H ASP 50 -7.001 10.530 0.703 360 HA ASP 50 HA ASP 50 -8.348 10.534 2.514 361 HB2 ASP 50 2HB ASP 50 -9.982 8.909 0.519 362 HB3 ASP 50 3HB ASP 50 -10.649 9.451 2.054 363 H GLN 51 H GLN 51 -6.669 9.297 3.621 364 HA GLN 51 HA GLN 51 -6.422 6.575 3.908 365 HB2 GLN 51 2HB GLN 51 -5.873 8.716 5.999 366 HB3 GLN 51 3HB GLN 51 -5.292 7.054 6.092 367 HG2 GLN 51 2HG GLN 51 -3.995 7.400 4.002 368 HG3 GLN 51 3HG GLN 51 -4.533 9.077 3.951 369 HE21 GLN 51 1HE2 GLN 51 -2.488 6.772 5.593 370 HE22 GLN 51 2HE2 GLN 51 -1.547 7.918 6.464 371 H GLY 52 H GLY 52 -8.735 8.659 5.547 372 HA2 GLY 52 2HA GLY 52 -9.692 6.792 7.489 373 HA3 GLY 52 3HA GLY 52 -10.511 8.247 6.944 374 H GLN 53 H GLN 53 -10.864 7.733 4.229 375 HA GLN 53 HA GLN 53 -13.177 6.040 4.227 376 HB2 GLN 53 2HB GLN 53 -12.986 8.095 2.835 377 HB3 GLN 53 3HB GLN 53 -11.680 7.354 1.920 378 HG2 GLN 53 2HG GLN 53 -13.727 7.266 0.623 379 HG3 GLN 53 3HG GLN 53 -13.264 5.628 1.082 380 HE21 GLN 53 1HE2 GLN 53 -15.359 4.821 0.843 381 HE22 GLN 53 2HE2 GLN 53 -16.646 5.235 1.915 382 H PHE 54 H PHE 54 -9.962 5.825 2.807 383 HA PHE 54 HA PHE 54 -9.930 3.354 1.591 384 HB2 PHE 54 2HB PHE 54 -8.075 4.886 1.315 385 HB3 PHE 54 3HB PHE 54 -7.792 4.980 3.043 386 HD1 PHE 54 HD2 PHE 54 -7.255 2.928 0.002 387 HD2 PHE 54 HD1 PHE 54 -6.436 3.298 4.183 388 HE1 PHE 54 HE2 PHE 54 -5.498 1.213 -0.166 389 HE2 PHE 54 HE1 PHE 54 -4.679 1.594 3.987 390 HZ PHE 54 HZ PHE 54 -4.214 0.545 1.814 391 H ALA 55 H ALA 55 -9.177 4.154 4.984 392 HA ALA 55 HA ALA 55 -8.690 1.516 5.846 393 HB1 ALA 55 3HB ALA 55 -9.643 3.881 7.503 394 HB2 ALA 55 1HB ALA 55 -7.964 3.540 7.075 395 HB3 ALA 55 2HB ALA 55 -8.849 2.424 8.110 396 H LYS 56 H LYS 56 -11.642 3.372 5.554 397 HA LYS 56 HA LYS 56 -13.374 1.784 7.115 398 HB2 LYS 56 2HB LYS 56 -13.980 4.033 6.746 399 HB3 LYS 56 3HB LYS 56 -13.735 3.939 5.016 400 HG2 LYS 56 2HG LYS 56 -15.938 2.252 6.121 401 HG3 LYS 56 3HG LYS 56 -16.185 3.997 6.201 402 HD2 LYS 56 2HD LYS 56 -15.865 4.179 3.768 403 HD3 LYS 56 3HD LYS 56 -15.503 2.453 3.661 404 HE2 LYS 56 2HE LYS 56 -17.805 2.926 2.933 405 HE3 LYS 56 3HE LYS 56 -17.813 1.937 4.395 406 HZ1 LYS 56 3HZ LYS 56 -18.236 4.888 4.301 407 HZ2 LYS 56 1HZ LYS 56 -18.265 3.927 5.695 408 HZ3 LYS 56 2HZ LYS 56 -19.448 3.727 4.507 409 H GLU 57 H GLU 57 -12.781 1.778 3.554 410 HA GLU 57 HA GLU 57 -14.536 -0.625 3.332 411 HB2 GLU 57 2HB GLU 57 -14.828 0.027 0.925 412 HB3 GLU 57 3HB GLU 57 -15.456 1.195 2.079 413 HG2 GLU 57 2HG GLU 57 -13.561 2.655 1.719 414 HG3 GLU 57 3HG GLU 57 -12.773 1.457 0.699 415 H VAL 58 H VAL 58 -11.315 0.522 2.440 416 HA VAL 58 HA VAL 58 -10.853 -1.580 0.461 417 HB VAL 58 HB VAL 58 -8.993 0.572 1.586 418 HG11 VAL 58 1HG1 VAL 58 -7.618 0.154 -0.437 419 HG12 VAL 58 2HG1 VAL 58 -8.663 -1.205 -0.852 420 HG13 VAL 58 3HG1 VAL 58 -7.701 -1.253 0.627 421 HG21 VAL 58 3HG2 VAL 58 -9.456 1.822 -0.503 422 HG22 VAL 58 1HG2 VAL 58 -10.931 1.568 0.437 423 HG23 VAL 58 2HG2 VAL 58 -10.615 0.582 -0.992 424 H LEU 59 H LEU 59 -9.613 -0.704 3.710 425 HA LEU 59 HA LEU 59 -7.754 -2.827 3.894 426 HB2 LEU 59 2HB LEU 59 -8.972 -1.063 6.034 427 HB3 LEU 59 3HB LEU 59 -7.799 -2.313 6.416 428 HG LEU 59 HG LEU 59 -7.331 0.141 4.675 429 HD11 LEU 59 1HD1 LEU 59 -7.327 0.607 7.068 430 HD12 LEU 59 2HD1 LEU 59 -5.705 0.762 6.398 431 HD13 LEU 59 3HD1 LEU 59 -6.136 -0.670 7.337 432 HD21 LEU 59 3HD2 LEU 59 -5.431 -2.164 5.244 433 HD22 LEU 59 1HD2 LEU 59 -4.989 -0.640 4.469 434 HD23 LEU 59 2HD2 LEU 59 -6.125 -1.729 3.678 435 HA PRO 60 HA PRO 60 -11.205 -5.446 6.209 436 HB2 PRO 60 2HB PRO 60 -13.835 -4.808 5.520 437 HB3 PRO 60 3HB PRO 60 -13.039 -4.272 7.011 438 HG2 PRO 60 2HG PRO 60 -13.421 -2.773 4.452 439 HG3 PRO 60 3HG PRO 60 -13.612 -2.212 6.118 440 HD2 PRO 60 2HD PRO 60 -11.409 -1.619 4.696 441 HD3 PRO 60 3HD PRO 60 -11.313 -1.956 6.439 442 H LYS 61 H LYS 61 -11.270 -4.211 2.938 443 HA LYS 61 HA LYS 61 -12.510 -6.494 1.718 444 HB2 LYS 61 2HB LYS 61 -12.448 -4.285 0.597 445 HB3 LYS 61 3HB LYS 61 -10.694 -4.384 0.480 446 HG2 LYS 61 2HG LYS 61 -10.908 -6.365 -0.997 447 HG3 LYS 61 3HG LYS 61 -12.668 -6.240 -0.898 448 HD2 LYS 61 2HD LYS 61 -12.564 -4.003 -1.977 449 HD3 LYS 61 3HD LYS 61 -10.805 -4.125 -2.056 450 HE2 LYS 61 2HE LYS 61 -11.044 -6.122 -3.527 451 HE3 LYS 61 3HE LYS 61 -12.796 -5.913 -3.490 452 HZ1 LYS 61 3HZ LYS 61 -12.015 -4.920 -5.461 453 HZ2 LYS 61 1HZ LYS 61 -10.783 -4.073 -4.669 454 HZ3 LYS 61 2HZ LYS 61 -12.400 -3.643 -4.429 455 H TYR 62 H TYR 62 -9.076 -5.403 1.780 456 HA TYR 62 HA TYR 62 -8.209 -8.071 0.863 457 HB2 TYR 62 2HB TYR 62 -6.807 -5.387 1.046 458 HB3 TYR 62 3HB TYR 62 -5.873 -6.867 0.827 459 HD1 TYR 62 HD2 TYR 62 -8.517 -4.752 -0.695 460 HD2 TYR 62 HD1 TYR 62 -5.772 -7.960 -1.302 461 HE1 TYR 62 HE2 TYR 62 -8.998 -4.687 -3.095 462 HE2 TYR 62 HE1 TYR 62 -6.249 -7.914 -3.705 463 HH TYR 62 HH TYR 62 -7.946 -5.364 -5.212 464 H PHE 63 H PHE 63 -8.472 -6.436 3.821 465 HA PHE 63 HA PHE 63 -6.820 -8.494 5.170 466 HB2 PHE 63 2HB PHE 63 -6.880 -5.537 5.970 467 HB3 PHE 63 3HB PHE 63 -5.907 -6.806 6.702 468 HD1 PHE 63 HD2 PHE 63 -4.159 -8.001 5.127 469 HD2 PHE 63 HD1 PHE 63 -5.930 -4.199 4.255 470 HE1 PHE 63 HE2 PHE 63 -2.350 -7.512 3.529 471 HE2 PHE 63 HE1 PHE 63 -4.116 -3.728 2.655 472 HZ PHE 63 HZ PHE 63 -2.327 -5.383 2.292 473 H LYS 64 H LYS 64 -7.390 -7.909 7.791 474 HA LYS 64 HA LYS 64 -10.341 -8.172 7.945 475 HB2 LYS 64 2HB LYS 64 -8.231 -9.749 9.503 476 HB3 LYS 64 3HB LYS 64 -9.966 -9.838 9.787 477 HG2 LYS 64 2HG LYS 64 -10.270 -10.715 7.459 478 HG3 LYS 64 3HG LYS 64 -8.517 -10.702 7.259 479 HD2 LYS 64 2HD LYS 64 -9.265 -12.960 7.792 480 HD3 LYS 64 3HD LYS 64 -8.306 -12.328 9.133 481 HE2 LYS 64 2HE LYS 64 -10.310 -13.556 9.907 482 HE3 LYS 64 3HE LYS 64 -10.351 -11.865 10.404 483 HZ1 LYS 64 3HZ LYS 64 -11.879 -11.401 8.598 484 HZ2 LYS 64 1HZ LYS 64 -12.499 -12.631 9.575 485 HZ3 LYS 64 2HZ LYS 64 -11.815 -13.002 8.074 486 H HIS 65 H HIS 65 -9.267 -5.720 8.153 487 HA HIS 65 HA HIS 65 -9.934 -4.897 10.827 488 HB2 HIS 65 2HB HIS 65 -7.833 -3.697 11.344 489 HB3 HIS 65 3HB HIS 65 -7.514 -5.420 11.168 490 HD1 HIS 65 HD1 HIS 65 -6.610 -2.101 9.734 491 HD2 HIS 65 HD2 HIS 65 -6.045 -6.115 8.819 492 HE1 HIS 65 HE1 HIS 65 -4.770 -2.158 8.033 493 HE2 HIS 65 HE2 HIS 65 -4.322 -4.596 7.646 494 H ASN 66 H ASN 66 -10.018 -2.524 10.979 495 HA ASN 66 HA ASN 66 -10.314 -1.146 8.363 496 HB2 ASN 66 2HB ASN 66 -11.920 -0.520 10.888 497 HB3 ASN 66 3HB ASN 66 -12.125 0.184 9.283 498 HD21 ASN 66 1HD2 ASN 66 -13.381 -0.843 7.804 499 HD22 ASN 66 2HD2 ASN 66 -14.243 -2.306 8.124 500 H ASN 67 H ASN 67 -8.358 -1.363 10.963 501 HA ASN 67 HA ASN 67 -7.926 1.449 11.556 502 HB2 ASN 67 2HB ASN 67 -7.651 -0.227 13.335 503 HB3 ASN 67 3HB ASN 67 -6.410 -1.059 12.402 504 HD21 ASN 67 1HD2 ASN 67 -4.975 -0.824 14.180 505 HD22 ASN 67 2HD2 ASN 67 -4.210 0.687 14.535 506 H MET 68 H MET 68 -6.876 2.718 10.204 507 HA MET 68 HA MET 68 -5.183 1.901 8.063 508 HB2 MET 68 2HB MET 68 -6.451 4.014 7.959 509 HB3 MET 68 3HB MET 68 -5.523 4.673 9.302 510 HG2 MET 68 2HG MET 68 -4.798 5.547 7.113 511 HG3 MET 68 3HG MET 68 -3.502 4.640 7.906 512 HE1 MET 68 3HE MET 68 -3.758 5.417 4.744 513 HE2 MET 68 1HE MET 68 -3.147 3.943 3.993 514 HE3 MET 68 2HE MET 68 -2.332 4.615 5.406 515 H ALA 69 H ALA 69 -4.583 3.103 11.327 516 HA ALA 69 HA ALA 69 -1.836 3.650 11.138 517 HB1 ALA 69 3HB ALA 69 -3.263 4.477 12.948 518 HB2 ALA 69 1HB ALA 69 -1.875 3.606 13.600 519 HB3 ALA 69 2HB ALA 69 -3.465 2.836 13.568 520 H SER 70 H SER 70 -3.551 0.624 11.882 521 HA SER 70 HA SER 70 -1.352 -0.991 12.601 522 HB2 SER 70 2HB SER 70 -3.732 -1.589 13.016 523 HB3 SER 70 3HB SER 70 -3.980 -1.815 11.284 524 HG SER 70 HG SER 70 -2.239 -3.276 12.993 525 H PHE 71 H PHE 71 -2.920 -0.345 9.501 526 HA PHE 71 HA PHE 71 -1.546 -2.139 7.826 527 HB2 PHE 71 2HB PHE 71 -3.601 -1.114 7.075 528 HB3 PHE 71 3HB PHE 71 -2.973 0.504 7.325 529 HD1 PHE 71 HD1 PHE 71 -2.349 -2.563 5.238 530 HD2 PHE 71 HD2 PHE 71 -2.199 1.710 5.454 531 HE1 PHE 71 HE1 PHE 71 -1.745 -2.454 2.854 532 HE2 PHE 71 HE2 PHE 71 -1.589 1.805 3.071 533 HZ PHE 71 HZ PHE 71 -1.362 -0.276 1.772 534 H VAL 72 H VAL 72 -0.972 1.290 8.535 535 HA VAL 72 HA VAL 72 1.389 1.667 7.028 536 HB VAL 72 HB VAL 72 0.403 3.181 9.496 537 HG11 VAL 72 1HG1 VAL 72 1.758 5.080 8.687 538 HG12 VAL 72 2HG1 VAL 72 2.402 4.075 7.388 539 HG13 VAL 72 3HG1 VAL 72 2.768 3.683 9.070 540 HG21 VAL 72 3HG2 VAL 72 -1.276 3.167 7.691 541 HG22 VAL 72 1HG2 VAL 72 -0.082 3.788 6.552 542 HG23 VAL 72 2HG2 VAL 72 -0.608 4.785 7.912 543 H ARG 73 H ARG 73 0.825 0.563 10.373 544 HA ARG 73 HA ARG 73 3.430 0.752 11.408 545 HB2 ARG 73 2HB ARG 73 1.406 0.364 12.810 546 HB3 ARG 73 3HB ARG 73 1.256 -1.261 12.153 547 HG2 ARG 73 2HG ARG 73 3.421 -1.876 13.183 548 HG3 ARG 73 3HG ARG 73 3.584 -0.244 13.830 549 HD2 ARG 73 2HD ARG 73 1.359 -2.192 14.544 550 HD3 ARG 73 3HD ARG 73 2.794 -1.879 15.523 551 HE ARG 73 HE ARG 73 1.013 0.363 14.865 552 HH11 ARG 73 1HH1 ARG 73 2.193 -1.850 17.357 553 HH12 ARG 73 2HH1 ARG 73 1.565 -0.893 18.661 554 HH21 ARG 73 1HH2 ARG 73 0.253 1.624 16.589 555 HH22 ARG 73 2HH2 ARG 73 0.467 1.076 18.225 556 H GLN 74 H GLN 74 1.811 -1.884 9.654 557 HA GLN 74 HA GLN 74 3.881 -3.811 9.772 558 HB2 GLN 74 2HB GLN 74 1.743 -3.404 7.636 559 HB3 GLN 74 3HB GLN 74 2.743 -4.843 7.792 560 HG2 GLN 74 2HG GLN 74 0.641 -3.855 9.734 561 HG3 GLN 74 3HG GLN 74 0.571 -5.301 8.724 562 HE21 GLN 74 1HE2 GLN 74 1.941 -7.056 9.249 563 HE22 GLN 74 2HE2 GLN 74 2.547 -7.267 10.854 564 H LEU 75 H LEU 75 3.109 -1.286 7.390 565 HA LEU 75 HA LEU 75 5.048 -1.929 5.462 566 HB2 LEU 75 2HB LEU 75 3.628 0.693 6.070 567 HB3 LEU 75 3HB LEU 75 4.573 0.404 4.615 568 HG LEU 75 HG LEU 75 2.098 -1.195 5.397 569 HD11 LEU 75 1HD1 LEU 75 0.928 -0.002 3.621 570 HD12 LEU 75 2HD1 LEU 75 2.353 1.000 3.330 571 HD13 LEU 75 3HD1 LEU 75 1.493 1.107 4.869 572 HD21 LEU 75 3HD2 LEU 75 3.722 -1.210 2.833 573 HD22 LEU 75 1HD2 LEU 75 2.202 -2.069 3.095 574 HD23 LEU 75 2HD2 LEU 75 3.629 -2.506 4.031 575 H ASN 76 H ASN 76 5.193 0.318 8.243 576 HA ASN 76 HA ASN 76 7.804 1.281 7.819 577 HB2 ASN 76 2HB ASN 76 6.143 1.008 10.345 578 HB3 ASN 76 3HB ASN 76 7.785 1.629 10.409 579 HD21 ASN 76 1HD2 ASN 76 4.515 2.383 9.668 580 HD22 ASN 76 2HD2 ASN 76 4.776 4.030 9.217 581 H MET 77 H MET 77 6.710 -1.760 9.333 582 HA MET 77 HA MET 77 9.305 -2.611 10.219 583 HB2 MET 77 2HB MET 77 6.874 -4.306 9.511 584 HB3 MET 77 3HB MET 77 8.337 -4.934 10.247 585 HG2 MET 77 2HG MET 77 7.881 -3.342 12.182 586 HG3 MET 77 3HG MET 77 6.284 -3.097 11.472 587 HE1 MET 77 3HE MET 77 5.004 -6.920 11.527 588 HE2 MET 77 1HE MET 77 6.006 -6.248 10.243 589 HE3 MET 77 2HE MET 77 4.659 -5.312 10.894 590 H TYR 78 H TYR 78 7.561 -2.829 7.149 591 HA TYR 78 HA TYR 78 9.426 -4.634 5.857 592 HB2 TYR 78 2HB TYR 78 7.163 -2.896 4.794 593 HB3 TYR 78 3HB TYR 78 8.145 -3.913 3.757 594 HD1 TYR 78 HD1 TYR 78 8.304 -6.486 4.634 595 HD2 TYR 78 HD2 TYR 78 5.090 -3.789 5.437 596 HE1 TYR 78 HE1 TYR 78 6.782 -8.383 4.971 597 HE2 TYR 78 HE2 TYR 78 3.579 -5.689 5.789 598 HH TYR 78 HH TYR 78 3.441 -8.066 5.068 599 H GLY 79 H GLY 79 9.381 -1.270 6.523 600 HA2 GLY 79 2HA GLY 79 11.072 0.271 6.169 601 HA3 GLY 79 3HA GLY 79 11.800 -0.791 4.977 602 H PHE 80 H PHE 80 8.400 0.078 4.742 603 HA PHE 80 HA PHE 80 8.784 1.572 2.288 604 HB2 PHE 80 2HB PHE 80 6.314 0.872 3.940 605 HB3 PHE 80 3HB PHE 80 6.226 1.988 2.583 606 HD1 PHE 80 HD1 PHE 80 6.764 -1.538 3.551 607 HD2 PHE 80 HD2 PHE 80 6.361 1.196 0.289 608 HE1 PHE 80 HE1 PHE 80 6.449 -3.425 2.002 609 HE2 PHE 80 HE2 PHE 80 6.048 -0.695 -1.248 610 HZ PHE 80 HZ PHE 80 6.090 -3.003 -0.394 611 H ARG 81 H ARG 81 8.848 3.745 2.117 612 HA ARG 81 HA ARG 81 8.791 5.372 4.587 613 HB2 ARG 81 2HB ARG 81 10.894 5.402 3.297 614 HB3 ARG 81 3HB ARG 81 10.038 5.921 1.859 615 HG2 ARG 81 2HG ARG 81 11.277 7.766 2.913 616 HG3 ARG 81 3HG ARG 81 9.538 8.083 2.892 617 HD2 ARG 81 2HD ARG 81 10.676 8.697 5.044 618 HD3 ARG 81 3HD ARG 81 9.348 7.552 5.227 619 HE ARG 81 HE ARG 81 11.740 6.096 4.971 620 HH11 ARG 81 1HH1 ARG 81 10.241 8.256 7.350 621 HH12 ARG 81 2HH1 ARG 81 11.064 7.516 8.691 622 HH21 ARG 81 1HH2 ARG 81 12.764 5.132 6.745 623 HH22 ARG 81 2HH2 ARG 81 12.497 5.741 8.348 624 H LYS 82 H LYS 82 7.162 6.761 4.897 625 HA LYS 82 HA LYS 82 5.044 7.144 2.979 626 HB2 LYS 82 2HB LYS 82 4.817 6.990 5.557 627 HB3 LYS 82 3HB LYS 82 5.417 8.636 5.628 628 HG2 LYS 82 2HG LYS 82 2.931 7.839 4.083 629 HG3 LYS 82 3HG LYS 82 2.885 8.334 5.771 630 HD2 LYS 82 2HD LYS 82 3.682 10.565 5.187 631 HD3 LYS 82 3HD LYS 82 3.952 10.079 3.514 632 HE2 LYS 82 2HE LYS 82 1.923 11.352 3.602 633 HE3 LYS 82 3HE LYS 82 1.492 9.684 3.296 634 HZ1 LYS 82 3HZ LYS 82 1.301 11.091 5.903 635 HZ2 LYS 82 1HZ LYS 82 0.909 9.465 5.644 636 HZ3 LYS 82 2HZ LYS 82 0.008 10.684 4.890 637 H VAL 83 H VAL 83 4.987 8.700 1.496 638 HA VAL 83 HA VAL 83 6.585 11.173 1.702 639 HB VAL 83 HB VAL 83 6.167 9.451 -0.813 640 HG11 VAL 83 1HG1 VAL 83 7.609 11.081 -1.983 641 HG12 VAL 83 2HG1 VAL 83 7.667 12.079 -0.529 642 HG13 VAL 83 3HG1 VAL 83 6.137 11.842 -1.374 643 HG21 VAL 83 3HG2 VAL 83 8.612 9.123 -0.797 644 HG22 VAL 83 1HG2 VAL 83 7.869 8.482 0.671 645 HG23 VAL 83 2HG2 VAL 83 8.731 10.022 0.718 646 H VAL 84 H VAL 84 5.141 12.850 1.714 647 HA VAL 84 HA VAL 84 2.407 12.336 0.735 648 HB VAL 84 HB VAL 84 2.540 12.798 3.140 649 HG11 VAL 84 1HG1 VAL 84 3.148 14.976 4.073 650 HG12 VAL 84 2HG1 VAL 84 3.670 15.526 2.479 651 HG13 VAL 84 3HG1 VAL 84 4.524 14.204 3.278 652 HG21 VAL 84 3HG2 VAL 84 0.504 13.416 1.955 653 HG22 VAL 84 1HG2 VAL 84 1.163 15.013 1.594 654 HG23 VAL 84 2HG2 VAL 84 0.812 14.559 3.262 655 H HIS 85 H HIS 85 1.995 13.181 -1.176 656 HA HIS 85 HA HIS 85 3.572 15.406 -2.265 657 HB2 HIS 85 2HB HIS 85 1.457 13.625 -3.558 658 HB3 HIS 85 3HB HIS 85 2.345 14.893 -4.404 659 HD1 HIS 85 HD1 HIS 85 4.223 13.949 -5.728 660 HD2 HIS 85 HD2 HIS 85 3.586 11.751 -2.256 661 HE1 HIS 85 HE1 HIS 85 5.943 12.113 -5.755 662 HE2 HIS 85 HE2 HIS 85 5.579 10.854 -3.613 663 H ILE 86 H ILE 86 0.969 15.251 -0.311 664 HA ILE 86 HA ILE 86 -0.156 17.846 -1.195 665 HB ILE 86 HB ILE 86 -1.216 15.799 0.830 666 HG12 ILE 86 2HG1 ILE 86 -1.516 14.986 -1.457 667 HG13 ILE 86 3HG1 ILE 86 -3.079 15.447 -0.802 668 HG21 ILE 86 1HG2 ILE 86 -3.260 17.194 0.956 669 HG22 ILE 86 2HG2 ILE 86 -2.483 18.425 -0.038 670 HG23 ILE 86 3HG2 ILE 86 -1.838 18.043 1.562 671 HD11 ILE 86 3HD1 ILE 86 -2.905 16.103 -3.100 672 HD12 ILE 86 1HD1 ILE 86 -1.419 16.996 -2.783 673 HD13 ILE 86 2HD1 ILE 86 -2.948 17.551 -2.093 674 H GLU 87 H GLU 87 -0.175 19.579 0.382 675 HA GLU 87 HA GLU 87 1.133 19.065 2.973 676 HB2 GLU 87 2HB GLU 87 2.817 20.098 1.511 677 HB3 GLU 87 3HB GLU 87 1.729 21.437 1.171 678 HG2 GLU 87 2HG GLU 87 1.936 22.325 3.367 679 HG3 GLU 87 3HG GLU 87 2.614 20.824 3.997 680 H GLN 88 H GLN 88 0.126 19.909 4.647 681 HA GLN 88 HA GLN 88 -2.518 21.082 4.311 682 HB2 GLN 88 2HB GLN 88 -1.101 20.139 6.846 683 HB3 GLN 88 3HB GLN 88 -2.815 20.511 6.698 684 HG2 GLN 88 2HG GLN 88 -1.436 18.258 5.197 685 HG3 GLN 88 3HG GLN 88 -2.250 18.055 6.742 686 HE21 GLN 88 1HE2 GLN 88 -3.639 16.513 5.796 687 HE22 GLN 88 2HE2 GLN 88 -4.941 16.968 4.756 688 H GLY 89 H GLY 89 0.230 22.594 4.103 689 HA2 GLY 89 2HA GLY 89 0.122 24.666 6.093 690 HA3 GLY 89 3HA GLY 89 1.103 24.652 4.635 691 H GLY 90 H GLY 90 -1.904 24.072 3.502 692 HA2 GLY 90 2HA GLY 90 -3.765 25.363 2.920 693 HA3 GLY 90 3HA GLY 90 -2.978 26.798 3.558 694 H LEU 91 H LEU 91 -2.357 24.334 1.050 695 HA LEU 91 HA LEU 91 -1.389 26.427 -0.824 696 HB2 LEU 91 2HB LEU 91 -0.839 23.427 -0.741 697 HB3 LEU 91 3HB LEU 91 -0.203 24.530 -1.951 698 HG LEU 91 HG LEU 91 0.504 24.486 1.011 699 HD11 LEU 91 1HD1 LEU 91 2.747 23.876 0.228 700 HD12 LEU 91 2HD1 LEU 91 2.179 23.865 -1.445 701 HD13 LEU 91 3HD1 LEU 91 1.548 22.690 -0.287 702 HD21 LEU 91 3HD2 LEU 91 0.449 26.808 0.229 703 HD22 LEU 91 1HD2 LEU 91 1.492 26.395 -1.134 704 HD23 LEU 91 2HD2 LEU 91 2.108 26.290 0.518 705 H VAL 92 H VAL 92 -1.615 25.442 -3.196 706 HA VAL 92 HA VAL 92 -4.324 25.204 -3.974 707 HB VAL 92 HB VAL 92 -2.492 26.077 -5.434 708 HG11 VAL 92 1HG1 VAL 92 -1.577 23.195 -5.706 709 HG12 VAL 92 2HG1 VAL 92 -0.724 24.476 -4.845 710 HG13 VAL 92 3HG1 VAL 92 -0.933 24.583 -6.594 711 HG21 VAL 92 3HG2 VAL 92 -4.606 25.380 -6.486 712 HG22 VAL 92 1HG2 VAL 92 -3.981 23.742 -6.697 713 HG23 VAL 92 2HG2 VAL 92 -3.242 25.089 -7.569 714 H LYS 93 H LYS 93 -2.086 22.889 -2.775 715 HA LYS 93 HA LYS 93 -3.107 20.453 -3.780 716 HB2 LYS 93 2HB LYS 93 -1.684 21.051 -1.140 717 HB3 LYS 93 3HB LYS 93 -1.974 19.435 -1.777 718 HG2 LYS 93 2HG LYS 93 -0.255 21.572 -3.077 719 HG3 LYS 93 3HG LYS 93 0.331 20.149 -2.206 720 HD2 LYS 93 2HD LYS 93 -0.690 18.673 -3.895 721 HD3 LYS 93 3HD LYS 93 -1.349 20.075 -4.743 722 HE2 LYS 93 2HE LYS 93 0.631 19.265 -5.890 723 HE3 LYS 93 3HE LYS 93 0.957 20.856 -5.206 724 HZ1 LYS 93 3HZ LYS 93 1.858 18.229 -4.161 725 HZ2 LYS 93 1HZ LYS 93 2.037 19.683 -3.317 726 HZ3 LYS 93 2HZ LYS 93 2.812 19.465 -4.803 727 HA PRO 94 HA PRO 94 -7.118 20.418 -1.654 728 HB2 PRO 94 2HB PRO 94 -7.723 17.729 -1.968 729 HB3 PRO 94 3HB PRO 94 -7.864 18.922 -3.276 730 HG2 PRO 94 2HG PRO 94 -5.615 17.011 -2.716 731 HG3 PRO 94 3HG PRO 94 -6.404 17.395 -4.264 732 HD2 PRO 94 2HD PRO 94 -4.043 18.511 -3.612 733 HD3 PRO 94 3HD PRO 94 -5.270 19.439 -4.492 734 H GLU 95 H GLU 95 -8.211 19.343 0.188 735 HA GLU 95 HA GLU 95 -6.467 19.360 2.445 736 HB2 GLU 95 2HB GLU 95 -8.519 19.063 3.792 737 HB3 GLU 95 3HB GLU 95 -8.693 20.340 2.593 738 HG2 GLU 95 2HG GLU 95 -10.037 18.904 1.167 739 HG3 GLU 95 3HG GLU 95 -9.759 17.524 2.226 740 H ARG 96 H ARG 96 -7.752 16.782 0.521 741 HA ARG 96 HA ARG 96 -7.494 14.590 2.304 742 HB2 ARG 96 2HB ARG 96 -7.450 13.162 0.304 743 HB3 ARG 96 3HB ARG 96 -8.659 14.423 0.097 744 HG2 ARG 96 2HG ARG 96 -7.106 15.695 -1.341 745 HG3 ARG 96 3HG ARG 96 -5.875 14.450 -1.117 746 HD2 ARG 96 2HD ARG 96 -6.963 14.166 -3.271 747 HD3 ARG 96 3HD ARG 96 -7.355 12.801 -2.222 748 HE ARG 96 HE ARG 96 -9.399 14.671 -1.930 749 HH11 ARG 96 1HH1 ARG 96 -8.130 12.677 -4.550 750 HH12 ARG 96 2HH1 ARG 96 -9.658 12.564 -5.360 751 HH21 ARG 96 1HH2 ARG 96 -11.390 14.481 -2.979 752 HH22 ARG 96 2HH2 ARG 96 -11.513 13.590 -4.465 753 H ASP 97 H ASP 97 -5.748 12.942 2.283 754 HA ASP 97 HA ASP 97 -3.070 14.200 2.066 755 HB2 ASP 97 2HB ASP 97 -3.832 13.419 4.364 756 HB3 ASP 97 3HB ASP 97 -3.860 11.772 3.748 757 H ASP 98 H ASP 98 -1.815 13.478 0.437 758 HA ASP 98 HA ASP 98 -2.375 10.961 -0.944 759 HB2 ASP 98 2HB ASP 98 -1.830 12.898 -2.361 760 HB3 ASP 98 3HB ASP 98 -0.319 13.156 -1.495 761 H THR 99 H THR 99 -1.620 9.252 0.121 762 HA THR 99 HA THR 99 0.886 9.369 1.649 763 HB THR 99 HB THR 99 -1.262 7.209 1.722 764 HG1 THR 99 HG1 THR 99 -1.562 9.685 2.479 765 HG21 THR 99 3HG2 THR 99 0.891 7.979 3.701 766 HG22 THR 99 1HG2 THR 99 0.913 6.547 2.670 767 HG23 THR 99 2HG2 THR 99 -0.310 6.707 3.933 768 H GLU 100 H GLU 100 2.509 8.959 0.152 769 HA GLU 100 HA GLU 100 2.232 6.623 -1.644 770 HB2 GLU 100 2HB GLU 100 2.894 8.706 -2.810 771 HB3 GLU 100 3HB GLU 100 4.291 8.881 -1.743 772 HG2 GLU 100 2HG GLU 100 5.135 6.650 -2.617 773 HG3 GLU 100 3HG GLU 100 3.801 6.661 -3.766 774 H PHE 101 H PHE 101 2.972 4.805 -0.678 775 HA PHE 101 HA PHE 101 5.331 4.904 1.083 776 HB2 PHE 101 2HB PHE 101 3.373 2.663 0.434 777 HB3 PHE 101 3HB PHE 101 4.794 2.450 1.447 778 HD1 PHE 101 HD1 PHE 101 4.992 4.071 3.511 779 HD2 PHE 101 HD2 PHE 101 1.320 3.237 1.466 780 HE1 PHE 101 HE1 PHE 101 3.716 4.754 5.502 781 HE2 PHE 101 HE2 PHE 101 0.062 3.923 3.468 782 HZ PHE 101 HZ PHE 101 1.260 4.672 5.482 783 H GLN 102 H GLN 102 7.259 4.502 0.288 784 HA GLN 102 HA GLN 102 7.548 3.411 -2.449 785 HB2 GLN 102 2HB GLN 102 9.608 4.791 -2.609 786 HB3 GLN 102 3HB GLN 102 8.192 5.785 -2.284 787 HG2 GLN 102 2HG GLN 102 8.822 5.909 0.106 788 HG3 GLN 102 3HG GLN 102 10.231 4.906 -0.222 789 HE21 GLN 102 1HE2 GLN 102 11.518 6.559 0.671 790 HE22 GLN 102 2HE2 GLN 102 11.878 8.006 -0.188 791 H HIS 103 H HIS 103 9.101 1.882 -2.856 792 HA HIS 103 HA HIS 103 11.227 1.247 -1.049 793 HB2 HIS 103 2HB HIS 103 9.127 -0.029 -0.142 794 HB3 HIS 103 3HB HIS 103 9.284 -1.055 -1.561 795 HD1 HIS 103 HD1 HIS 103 11.133 -2.833 -1.504 796 HD2 HIS 103 HD2 HIS 103 11.215 -0.264 1.747 797 HE1 HIS 103 HE1 HIS 103 12.849 -3.783 0.079 798 HE2 HIS 103 HE2 HIS 103 12.931 -2.159 1.983 799 HA PRO 104 HA PRO 104 12.804 0.539 -5.221 800 HB2 PRO 104 2HB PRO 104 15.248 -0.611 -4.609 801 HB3 PRO 104 3HB PRO 104 14.912 1.121 -4.413 802 HG2 PRO 104 2HG PRO 104 14.819 -1.045 -2.326 803 HG3 PRO 104 3HG PRO 104 15.582 0.562 -2.239 804 HD2 PRO 104 2HD PRO 104 13.176 0.134 -1.125 805 HD3 PRO 104 3HD PRO 104 13.529 1.671 -1.952 806 H CYS 105 H CYS 105 12.441 -2.075 -2.923 807 HA CYS 105 HA CYS 105 12.660 -4.170 -4.983 808 HB2 CYS 105 2HB CYS 105 12.238 -4.471 -1.986 809 HB3 CYS 105 3HB CYS 105 12.601 -5.768 -3.123 810 HG CYS 105 HG CYS 105 15.109 -4.267 -3.773 811 H PHE 106 H PHE 106 10.283 -2.110 -4.066 812 HA PHE 106 HA PHE 106 8.093 -4.080 -4.417 813 HB2 PHE 106 2HB PHE 106 7.827 -2.503 -2.455 814 HB3 PHE 106 3HB PHE 106 7.889 -1.136 -3.556 815 HD1 PHE 106 HD1 PHE 106 5.816 -3.915 -2.303 816 HD2 PHE 106 HD2 PHE 106 5.934 -0.626 -5.042 817 HE1 PHE 106 HE1 PHE 106 3.383 -4.083 -2.617 818 HE2 PHE 106 HE2 PHE 106 3.496 -0.809 -5.352 819 HZ PHE 106 HZ PHE 106 2.223 -2.537 -4.143 820 H LEU 107 H LEU 107 8.189 -4.380 -6.647 821 HA LEU 107 HA LEU 107 7.708 -1.976 -8.303 822 HB2 LEU 107 2HB LEU 107 8.833 -4.679 -9.092 823 HB3 LEU 107 3HB LEU 107 8.426 -3.415 -10.237 824 HG LEU 107 HG LEU 107 10.621 -3.327 -8.135 825 HD11 LEU 107 1HD1 LEU 107 10.796 -3.292 -11.158 826 HD12 LEU 107 2HD1 LEU 107 11.194 -4.648 -10.101 827 HD13 LEU 107 3HD1 LEU 107 12.151 -3.171 -10.030 828 HD21 LEU 107 3HD2 LEU 107 11.211 -1.094 -9.028 829 HD22 LEU 107 1HD2 LEU 107 9.622 -1.108 -8.266 830 HD23 LEU 107 2HD2 LEU 107 9.753 -1.111 -10.026 831 H ARG 108 H ARG 108 5.869 -1.820 -9.421 832 HA ARG 108 HA ARG 108 3.578 -3.232 -8.591 833 HB2 ARG 108 2HB ARG 108 2.402 -1.847 -10.395 834 HB3 ARG 108 3HB ARG 108 3.301 -0.950 -9.183 835 HG2 ARG 108 2HG ARG 108 3.781 0.165 -11.198 836 HG3 ARG 108 3HG ARG 108 5.212 -0.811 -10.886 837 HD2 ARG 108 2HD ARG 108 4.298 -2.519 -12.510 838 HD3 ARG 108 3HD ARG 108 3.010 -1.380 -12.899 839 HE ARG 108 HE ARG 108 5.285 0.057 -13.317 840 HH11 ARG 108 1HH1 ARG 108 4.155 -3.050 -14.552 841 HH12 ARG 108 2HH1 ARG 108 5.015 -2.888 -16.049 842 HH21 ARG 108 1HH2 ARG 108 6.389 0.236 -15.284 843 HH22 ARG 108 2HH2 ARG 108 6.274 -1.036 -16.460 844 H GLY 109 H GLY 109 5.804 -3.941 -11.117 845 HA2 GLY 109 2HA GLY 109 4.001 -5.926 -12.373 846 HA3 GLY 109 3HA GLY 109 5.561 -5.398 -12.988 847 H GLN 110 H GLN 110 7.069 -5.643 -10.594 848 HA GLN 110 HA GLN 110 7.583 -8.523 -10.782 849 HB2 GLN 110 2HB GLN 110 9.279 -6.170 -9.906 850 HB3 GLN 110 3HB GLN 110 9.790 -7.827 -9.626 851 HG2 GLN 110 2HG GLN 110 10.867 -6.873 -11.605 852 HG3 GLN 110 3HG GLN 110 9.861 -8.254 -12.024 853 HE21 GLN 110 1HE2 GLN 110 10.245 -4.792 -12.311 854 HE22 GLN 110 2HE2 GLN 110 9.078 -4.566 -13.565 855 H GLU 111 H GLU 111 5.863 -9.171 -9.414 856 HA GLU 111 HA GLU 111 5.666 -8.525 -6.641 857 HB2 GLU 111 2HB GLU 111 3.979 -10.240 -6.487 858 HB3 GLU 111 3HB GLU 111 3.769 -9.420 -8.020 859 HG2 GLU 111 2HG GLU 111 4.990 -12.160 -7.605 860 HG3 GLU 111 3HG GLU 111 3.391 -11.808 -8.256 861 H GLN 112 H GLN 112 7.751 -10.735 -8.334 862 HA GLN 112 HA GLN 112 8.262 -12.488 -6.124 863 HB2 GLN 112 2HB GLN 112 9.881 -13.578 -7.422 864 HB3 GLN 112 3HB GLN 112 8.705 -13.033 -8.601 865 HG2 GLN 112 2HG GLN 112 11.369 -11.700 -8.042 866 HG3 GLN 112 3HG GLN 112 11.052 -12.813 -9.367 867 HE21 GLN 112 1HE2 GLN 112 12.024 -10.135 -9.554 868 HE22 GLN 112 2HE2 GLN 112 10.886 -9.261 -10.507 869 H LEU 113 H LEU 113 9.257 -9.285 -6.749 870 HA LEU 113 HA LEU 113 11.734 -9.435 -5.222 871 HB2 LEU 113 2HB LEU 113 10.243 -7.080 -6.431 872 HB3 LEU 113 3HB LEU 113 11.746 -6.919 -5.535 873 HG LEU 113 HG LEU 113 11.377 -8.373 -8.185 874 HD11 LEU 113 1HD1 LEU 113 11.399 -5.928 -8.391 875 HD12 LEU 113 2HD1 LEU 113 12.841 -6.643 -9.105 876 HD13 LEU 113 3HD1 LEU 113 12.938 -5.854 -7.527 877 HD21 LEU 113 3HD2 LEU 113 13.889 -8.111 -6.503 878 HD22 LEU 113 1HD2 LEU 113 13.817 -8.748 -8.149 879 HD23 LEU 113 2HD2 LEU 113 12.999 -9.597 -6.841 880 H LEU 114 H LEU 114 8.477 -9.284 -4.414 881 HA LEU 114 HA LEU 114 8.564 -7.618 -2.103 882 HB2 LEU 114 2HB LEU 114 6.614 -9.872 -2.662 883 HB3 LEU 114 3HB LEU 114 6.378 -8.533 -1.548 884 HG LEU 114 HG LEU 114 6.465 -8.368 -4.585 885 HD11 LEU 114 1HD1 LEU 114 4.399 -9.324 -3.724 886 HD12 LEU 114 2HD1 LEU 114 4.115 -7.727 -4.409 887 HD13 LEU 114 3HD1 LEU 114 4.171 -7.934 -2.655 888 HD21 LEU 114 3HD2 LEU 114 6.113 -6.100 -2.601 889 HD22 LEU 114 1HD2 LEU 114 5.911 -5.984 -4.353 890 HD23 LEU 114 2HD2 LEU 114 7.492 -6.355 -3.673 891 H GLU 115 H GLU 115 9.522 -10.925 -2.646 892 HA GLU 115 HA GLU 115 9.648 -11.639 0.168 893 HB2 GLU 115 2HB GLU 115 10.743 -13.696 -0.561 894 HB3 GLU 115 3HB GLU 115 9.303 -13.384 -1.516 895 HG2 GLU 115 2HG GLU 115 10.690 -12.577 -3.364 896 HG3 GLU 115 3HG GLU 115 12.146 -12.875 -2.409 897 H ASN 116 H ASN 116 11.530 -9.665 -1.778 898 HA ASN 116 HA ASN 116 13.978 -9.940 -0.167 899 HB2 ASN 116 2HB ASN 116 13.259 -8.014 -2.441 900 HB3 ASN 116 3HB ASN 116 14.815 -8.061 -1.616 901 HD21 ASN 116 1HD2 ASN 116 12.670 -9.827 -3.738 902 HD22 ASN 116 2HD2 ASN 116 13.861 -10.884 -4.398 903 H ILE 117 H ILE 117 10.959 -8.332 -0.200 904 HA ILE 117 HA ILE 117 11.781 -6.161 1.603 905 HB ILE 117 HB ILE 117 8.899 -6.776 0.801 906 HG12 ILE 117 2HG1 ILE 117 10.795 -4.923 -0.699 907 HG13 ILE 117 3HG1 ILE 117 10.153 -6.447 -1.301 908 HG21 ILE 117 1HG2 ILE 117 8.495 -4.413 1.375 909 HG22 ILE 117 2HG2 ILE 117 10.208 -4.193 1.737 910 HG23 ILE 117 3HG2 ILE 117 9.227 -5.269 2.736 911 HD11 ILE 117 3HD1 ILE 117 7.874 -5.503 -1.173 912 HD12 ILE 117 1HD1 ILE 117 8.944 -4.634 -2.268 913 HD13 ILE 117 2HD1 ILE 117 8.573 -3.954 -0.688 914 H LYS 118 H LYS 118 12.501 -8.102 3.045 915 HA LYS 118 HA LYS 118 10.506 -9.317 4.622 916 HB2 LYS 118 2HB LYS 118 12.444 -9.701 6.258 917 HB3 LYS 118 3HB LYS 118 12.547 -10.430 4.670 918 HG2 LYS 118 2HG LYS 118 14.665 -9.667 4.718 919 HG3 LYS 118 3HG LYS 118 13.950 -8.152 4.187 920 HD2 LYS 118 2HD LYS 118 14.307 -8.741 7.135 921 HD3 LYS 118 3HD LYS 118 15.663 -8.167 6.170 922 HE2 LYS 118 2HE LYS 118 14.243 -6.178 5.537 923 HE3 LYS 118 3HE LYS 118 13.056 -6.732 6.708 924 HZ1 LYS 118 3HZ LYS 118 15.852 -5.944 7.330 925 HZ2 LYS 118 1HZ LYS 118 14.720 -6.495 8.454 926 HZ3 LYS 118 2HZ LYS 118 14.466 -5.032 7.645 927 H ARG 119 H ARG 119 10.135 -8.925 6.866 928 HA ARG 119 HA ARG 119 10.143 -6.062 7.624 929 HB2 ARG 119 2HB ARG 119 8.250 -6.787 9.238 930 HB3 ARG 119 3HB ARG 119 7.863 -6.640 7.529 931 HG2 ARG 119 2HG ARG 119 8.080 -9.107 7.297 932 HG3 ARG 119 3HG ARG 119 8.362 -9.224 9.035 933 HD2 ARG 119 2HD ARG 119 6.149 -8.473 9.539 934 HD3 ARG 119 3HD ARG 119 5.860 -7.960 7.872 935 HE ARG 119 HE ARG 119 6.404 -10.778 8.121 936 HH11 ARG 119 1HH1 ARG 119 3.813 -8.389 8.382 937 HH12 ARG 119 2HH1 ARG 119 2.566 -9.543 8.061 938 HH21 ARG 119 1HH2 ARG 119 4.714 -12.248 7.638 939 HH22 ARG 119 2HH2 ARG 119 3.075 -11.693 7.644 940 H LYS 120 H LYS 120 10.308 -9.359 8.967 941 HA LYS 120 HA LYS 120 12.461 -8.617 10.794 942 HB2 LYS 120 2HB LYS 120 9.887 -9.939 11.807 943 HB3 LYS 120 3HB LYS 120 11.314 -9.556 12.765 944 HG2 LYS 120 2HG LYS 120 10.885 -7.118 12.338 945 HG3 LYS 120 3HG LYS 120 9.410 -7.577 11.488 946 HD2 LYS 120 2HD LYS 120 8.758 -6.927 13.689 947 HD3 LYS 120 3HD LYS 120 8.632 -8.684 13.623 948 HE2 LYS 120 2HE LYS 120 10.787 -8.890 14.795 949 HE3 LYS 120 3HE LYS 120 10.936 -7.131 14.829 950 HZ1 LYS 120 3HZ LYS 120 10.102 -8.009 16.929 951 HZ2 LYS 120 1HZ LYS 120 8.771 -8.688 16.147 952 HZ3 LYS 120 2HZ LYS 120 8.953 -7.010 16.193 953 H VAL 121 H VAL 121 13.380 -10.577 11.811 954 HA VAL 121 HA VAL 121 13.353 -12.905 10.007 955 HB VAL 121 HB VAL 121 15.281 -13.740 11.331 956 HG11 VAL 121 1HG1 VAL 121 16.936 -12.015 10.686 957 HG12 VAL 121 2HG1 VAL 121 15.630 -10.855 10.426 958 HG13 VAL 121 3HG1 VAL 121 15.748 -12.293 9.409 959 HG21 VAL 121 3HG2 VAL 121 14.709 -12.859 13.551 960 HG22 VAL 121 1HG2 VAL 121 14.976 -11.205 12.993 961 HG23 VAL 121 2HG2 VAL 121 16.329 -12.336 13.093 962 H THR 122 H THR 122 12.027 -11.881 12.984 963 HA THR 122 HA THR 122 11.469 -14.466 14.144 964 HB THR 122 HB THR 122 10.036 -13.058 15.732 965 HG1 THR 122 HG1 THR 122 10.582 -10.727 15.536 966 HG21 THR 122 3HG2 THR 122 12.373 -13.614 16.303 967 HG22 THR 122 1HG2 THR 122 11.951 -11.999 16.870 968 HG23 THR 122 2HG2 THR 122 12.938 -12.193 15.420 969 H SER 123 H SER 123 9.138 -14.956 14.734 970 HA SER 123 HA SER 123 7.753 -15.448 12.275 971 HB2 SER 123 2HB SER 123 6.834 -16.102 15.102 972 HB3 SER 123 3HB SER 123 6.348 -16.897 13.600 973 HG SER 123 HG SER 123 8.861 -17.180 13.521 974 H VAL 124 H VAL 124 6.979 -13.506 11.501 975 HA VAL 124 HA VAL 124 4.716 -12.266 12.971 976 HB VAL 124 HB VAL 124 6.488 -10.900 10.875 977 HG11 VAL 124 1HG1 VAL 124 5.359 -8.821 11.589 978 HG12 VAL 124 2HG1 VAL 124 4.335 -9.749 12.687 979 HG13 VAL 124 3HG1 VAL 124 4.206 -9.993 10.943 980 HG21 VAL 124 3HG2 VAL 124 6.528 -10.567 13.893 981 HG22 VAL 124 1HG2 VAL 124 7.443 -9.591 12.741 982 HG23 VAL 124 2HG2 VAL 124 7.791 -11.314 12.910 983 H SER 125 H SER 125 2.795 -12.203 11.877 984 HA SER 125 HA SER 125 2.656 -13.234 9.117 985 HB2 SER 125 2HB SER 125 0.600 -14.527 9.889 986 HB3 SER 125 3HB SER 125 2.132 -15.105 10.544 987 HG SER 125 HG SER 125 0.781 -13.199 12.055 Start of MODEL 4 1 H1 MET 1 1H MET 1 15.858 -27.217 -45.020 2 H2 MET 1 2H MET 1 16.028 -26.225 -43.662 3 H3 MET 1 3H MET 1 15.489 -25.570 -45.121 4 HA MET 1 HA MET 1 13.475 -26.859 -45.029 5 HB2 MET 1 2HB MET 1 14.463 -28.785 -43.749 6 HB3 MET 1 3HB MET 1 14.502 -27.790 -42.300 7 HG2 MET 1 2HG MET 1 11.957 -28.504 -43.781 8 HG3 MET 1 3HG MET 1 12.595 -29.422 -42.418 9 HE1 MET 1 3HE MET 1 9.447 -27.534 -40.947 10 HE2 MET 1 1HE MET 1 10.155 -29.105 -41.307 11 HE3 MET 1 2HE MET 1 9.604 -28.067 -42.622 12 H GLY 2 H GLY 2 14.768 -25.702 -41.891 13 HA2 GLY 2 2HA GLY 2 13.570 -23.124 -42.093 14 HA3 GLY 2 3HA GLY 2 12.603 -24.182 -41.066 15 H HIS 3 H HIS 3 14.696 -21.790 -40.794 16 HA HIS 3 HA HIS 3 16.083 -22.829 -38.397 17 HB2 HIS 3 2HB HIS 3 17.368 -21.526 -40.174 18 HB3 HIS 3 3HB HIS 3 16.386 -20.116 -39.794 19 HD1 HIS 3 HD1 HIS 3 17.301 -18.634 -37.979 20 HD2 HIS 3 HD2 HIS 3 19.028 -22.402 -37.909 21 HE1 HIS 3 HE1 HIS 3 19.143 -18.488 -36.285 22 HE2 HIS 3 HE2 HIS 3 20.178 -20.777 -36.270 23 H HIS 4 H HIS 4 13.147 -22.100 -38.920 24 HA HIS 4 HA HIS 4 12.365 -19.779 -37.530 25 HB2 HIS 4 2HB HIS 4 11.006 -21.082 -39.229 26 HB3 HIS 4 3HB HIS 4 10.734 -22.320 -38.014 27 HD1 HIS 4 HD1 HIS 4 9.226 -19.398 -39.426 28 HD2 HIS 4 HD2 HIS 4 9.225 -21.139 -35.650 29 HE1 HIS 4 HE1 HIS 4 7.222 -18.455 -38.250 30 HE2 HIS 4 HE2 HIS 4 7.160 -19.637 -36.037 31 H HIS 5 H HIS 5 12.156 -19.403 -35.409 32 HA HIS 5 HA HIS 5 12.047 -21.675 -33.498 33 HB2 HIS 5 2HB HIS 5 13.320 -18.933 -33.069 34 HB3 HIS 5 3HB HIS 5 13.198 -20.201 -31.852 35 HD1 HIS 5 HD1 HIS 5 15.710 -18.810 -33.744 36 HD2 HIS 5 HD2 HIS 5 14.464 -22.749 -33.309 37 HE1 HIS 5 HE1 HIS 5 17.679 -20.223 -34.403 38 HE2 HIS 5 HE2 HIS 5 16.958 -22.576 -33.924 39 H HIS 6 H HIS 6 10.716 -21.400 -31.697 40 HA HIS 6 HA HIS 6 8.978 -19.089 -31.446 41 HB2 HIS 6 2HB HIS 6 7.870 -20.608 -33.174 42 HB3 HIS 6 3HB HIS 6 7.721 -21.841 -31.930 43 HD1 HIS 6 HD1 HIS 6 5.801 -19.287 -33.475 44 HD2 HIS 6 HD2 HIS 6 6.123 -20.686 -29.577 45 HE1 HIS 6 HE1 HIS 6 3.736 -18.476 -32.297 46 HE2 HIS 6 HE2 HIS 6 4.105 -19.122 -29.903 47 H HIS 7 H HIS 7 9.517 -18.728 -29.418 48 HA HIS 7 HA HIS 7 8.830 -20.723 -27.364 49 HB2 HIS 7 2HB HIS 7 11.396 -19.088 -27.525 50 HB3 HIS 7 3HB HIS 7 10.801 -19.714 -25.993 51 HD1 HIS 7 HD1 HIS 7 13.155 -20.569 -28.488 52 HD2 HIS 7 HD2 HIS 7 10.364 -22.738 -26.299 53 HE1 HIS 7 HE1 HIS 7 13.943 -22.950 -28.555 54 HE2 HIS 7 HE2 HIS 7 12.242 -24.228 -27.230 55 H HIS 8 H HIS 8 7.863 -19.880 -25.579 56 HA HIS 8 HA HIS 8 7.759 -16.972 -25.186 57 HB2 HIS 8 2HB HIS 8 5.675 -17.670 -26.462 58 HB3 HIS 8 3HB HIS 8 5.232 -18.690 -25.100 59 HD1 HIS 8 HD1 HIS 8 5.346 -15.132 -26.220 60 HD2 HIS 8 HD2 HIS 8 4.295 -17.279 -22.812 61 HE1 HIS 8 HE1 HIS 8 4.062 -13.524 -24.773 62 HE2 HIS 8 HE2 HIS 8 3.642 -14.781 -22.647 63 H SER 9 H SER 9 9.292 -17.489 -23.588 64 HA SER 9 HA SER 9 8.894 -19.324 -21.483 65 HB2 SER 9 2HB SER 9 10.642 -16.816 -21.522 66 HB3 SER 9 3HB SER 9 10.775 -18.155 -20.377 67 HG SER 9 HG SER 9 11.418 -19.495 -22.018 68 H HIS 10 H HIS 10 7.355 -19.229 -19.968 69 HA HIS 10 HA HIS 10 6.868 -16.788 -18.448 70 HB2 HIS 10 2HB HIS 10 4.472 -16.766 -18.684 71 HB3 HIS 10 3HB HIS 10 5.112 -16.848 -20.320 72 HD1 HIS 10 HD1 HIS 10 2.627 -18.326 -18.234 73 HD2 HIS 10 HD2 HIS 10 5.068 -19.723 -21.296 74 HE1 HIS 10 HE1 HIS 10 1.562 -20.444 -19.028 75 HE2 HIS 10 HE2 HIS 10 3.151 -21.364 -20.735 76 H MET 11 H MET 11 6.343 -17.265 -16.284 77 HA MET 11 HA MET 11 5.610 -19.945 -15.475 78 HB2 MET 11 2HB MET 11 8.174 -19.978 -15.839 79 HB3 MET 11 3HB MET 11 8.295 -18.891 -14.461 80 HG2 MET 11 2HG MET 11 8.724 -21.169 -13.757 81 HG3 MET 11 3HG MET 11 7.199 -20.623 -13.046 82 HE1 MET 11 3HE MET 11 8.295 -23.771 -13.483 83 HE2 MET 11 1HE MET 11 6.760 -24.550 -13.866 84 HE3 MET 11 2HE MET 11 6.849 -23.375 -12.555 85 H ALA 12 H ALA 12 3.897 -19.080 -14.447 86 HA ALA 12 HA ALA 12 3.902 -16.905 -12.639 87 HB1 ALA 12 3HB ALA 12 1.839 -17.697 -13.684 88 HB2 ALA 12 1HB ALA 12 1.687 -17.783 -11.930 89 HB3 ALA 12 2HB ALA 12 1.976 -19.254 -12.867 90 H GLY 13 H GLY 13 5.640 -17.151 -11.248 91 HA2 GLY 13 2HA GLY 13 6.246 -19.582 -9.839 92 HA3 GLY 13 3HA GLY 13 7.023 -18.024 -9.646 93 HA PRO 14 HA PRO 14 3.577 -18.483 -6.279 94 HB2 PRO 14 2HB PRO 14 4.506 -21.026 -5.058 95 HB3 PRO 14 3HB PRO 14 2.870 -20.574 -5.580 96 HG2 PRO 14 2HG PRO 14 4.333 -22.464 -6.870 97 HG3 PRO 14 3HG PRO 14 3.157 -21.430 -7.715 98 HD2 PRO 14 2HD PRO 14 6.159 -21.141 -7.560 99 HD3 PRO 14 3HD PRO 14 5.077 -20.977 -8.966 100 H SER 15 H SER 15 5.228 -16.807 -6.040 101 HA SER 15 HA SER 15 7.755 -17.206 -4.897 102 HB2 SER 15 2HB SER 15 6.052 -14.705 -5.222 103 HB3 SER 15 3HB SER 15 7.730 -14.682 -4.670 104 HG SER 15 HG SER 15 8.371 -15.528 -6.614 105 H ASN 16 H ASN 16 8.520 -16.141 -2.905 106 HA ASN 16 HA ASN 16 7.037 -17.284 -0.650 107 HB2 ASN 16 2HB ASN 16 9.852 -16.090 -0.801 108 HB3 ASN 16 3HB ASN 16 9.192 -17.006 0.549 109 HD21 ASN 16 1HD2 ASN 16 10.268 -17.222 -2.808 110 HD22 ASN 16 2HD2 ASN 16 10.566 -18.926 -2.785 111 H VAL 17 H VAL 17 6.036 -14.811 -1.824 112 HA VAL 17 HA VAL 17 6.855 -12.493 -0.401 113 HB VAL 17 HB VAL 17 4.282 -12.943 -2.000 114 HG11 VAL 17 1HG1 VAL 17 4.152 -10.949 -0.577 115 HG12 VAL 17 2HG1 VAL 17 4.243 -10.490 -2.276 116 HG13 VAL 17 3HG1 VAL 17 5.671 -10.345 -1.244 117 HG21 VAL 17 3HG2 VAL 17 6.281 -13.429 -3.360 118 HG22 VAL 17 1HG2 VAL 17 6.951 -11.843 -2.968 119 HG23 VAL 17 2HG2 VAL 17 5.469 -11.969 -3.923 120 HA PRO 18 HA PRO 18 4.386 -13.199 3.406 121 HB2 PRO 18 2HB PRO 18 4.602 -10.177 3.554 122 HB3 PRO 18 3HB PRO 18 4.991 -11.398 4.789 123 HG2 PRO 18 2HG PRO 18 6.941 -10.152 3.486 124 HG3 PRO 18 3HG PRO 18 7.071 -11.890 3.851 125 HD2 PRO 18 2HD PRO 18 6.357 -10.558 1.236 126 HD3 PRO 18 3HD PRO 18 7.400 -11.972 1.546 127 H ALA 19 H ALA 19 2.151 -13.037 3.842 128 HA ALA 19 HA ALA 19 0.411 -12.727 1.729 129 HB1 ALA 19 3HB ALA 19 -0.047 -14.113 3.694 130 HB2 ALA 19 1HB ALA 19 -1.392 -13.022 3.356 131 HB3 ALA 19 2HB ALA 19 -0.275 -12.668 4.678 132 H PHE 20 H PHE 20 1.109 -10.356 4.340 133 HA PHE 20 HA PHE 20 -0.658 -8.358 3.772 134 HB2 PHE 20 2HB PHE 20 0.928 -8.203 5.635 135 HB3 PHE 20 3HB PHE 20 2.288 -8.063 4.526 136 HD1 PHE 20 HD2 PHE 20 -0.822 -6.330 5.671 137 HD2 PHE 20 HD1 PHE 20 2.950 -5.899 3.708 138 HE1 PHE 20 HE2 PHE 20 -1.102 -3.885 5.658 139 HE2 PHE 20 HE1 PHE 20 2.662 -3.456 3.694 140 HZ PHE 20 HZ PHE 20 0.637 -2.447 4.670 141 H LEU 21 H LEU 21 2.321 -9.089 1.978 142 HA LEU 21 HA LEU 21 2.164 -6.661 0.359 143 HB2 LEU 21 2HB LEU 21 4.123 -8.990 0.398 144 HB3 LEU 21 3HB LEU 21 4.271 -7.619 -0.693 145 HG LEU 21 HG LEU 21 4.378 -7.420 2.347 146 HD11 LEU 21 1HD1 LEU 21 6.649 -7.343 0.330 147 HD12 LEU 21 2HD1 LEU 21 6.306 -8.653 1.462 148 HD13 LEU 21 3HD1 LEU 21 6.788 -7.073 2.070 149 HD21 LEU 21 3HD2 LEU 21 3.551 -5.372 1.307 150 HD22 LEU 21 1HD2 LEU 21 4.925 -5.349 0.191 151 HD23 LEU 21 2HD2 LEU 21 5.181 -5.124 1.928 152 H THR 22 H THR 22 1.580 -10.083 0.120 153 HA THR 22 HA THR 22 1.135 -10.418 -2.612 154 HB THR 22 HB THR 22 -0.292 -11.800 -0.280 155 HG1 THR 22 HG1 THR 22 2.255 -12.234 -1.465 156 HG21 THR 22 3HG2 THR 22 0.305 -12.789 -3.079 157 HG22 THR 22 1HG2 THR 22 -1.287 -12.338 -2.465 158 HG23 THR 22 2HG2 THR 22 -0.441 -13.728 -1.785 159 H LYS 23 H LYS 23 -1.000 -9.323 0.010 160 HA LYS 23 HA LYS 23 -3.321 -8.987 -1.680 161 HB2 LYS 23 2HB LYS 23 -2.790 -8.034 1.167 162 HB3 LYS 23 3HB LYS 23 -4.344 -7.953 0.353 163 HG2 LYS 23 2HG LYS 23 -2.878 -10.523 1.013 164 HG3 LYS 23 3HG LYS 23 -4.130 -9.793 2.010 165 HD2 LYS 23 2HD LYS 23 -5.285 -11.458 0.843 166 HD3 LYS 23 3HD LYS 23 -5.664 -10.008 -0.080 167 HE2 LYS 23 2HE LYS 23 -3.970 -10.643 -1.750 168 HE3 LYS 23 3HE LYS 23 -3.564 -12.080 -0.809 169 HZ1 LYS 23 3HZ LYS 23 -5.882 -12.824 -1.128 170 HZ2 LYS 23 1HZ LYS 23 -5.045 -12.673 -2.586 171 HZ3 LYS 23 2HZ LYS 23 -6.169 -11.497 -2.128 172 H LEU 24 H LEU 24 -0.987 -6.828 -0.068 173 HA LEU 24 HA LEU 24 -2.061 -4.376 -0.711 174 HB2 LEU 24 2HB LEU 24 -0.281 -4.674 0.949 175 HB3 LEU 24 3HB LEU 24 0.857 -5.117 -0.313 176 HG LEU 24 HG LEU 24 0.717 -2.811 -1.246 177 HD11 LEU 24 1HD1 LEU 24 -1.068 -2.186 1.128 178 HD12 LEU 24 2HD1 LEU 24 -1.540 -2.194 -0.576 179 HD13 LEU 24 3HD1 LEU 24 -0.379 -1.007 0.007 180 HD21 LEU 24 3HD2 LEU 24 1.985 -1.682 0.522 181 HD22 LEU 24 1HD2 LEU 24 2.491 -3.362 0.355 182 HD23 LEU 24 2HD2 LEU 24 1.453 -2.882 1.700 183 H TRP 25 H TRP 25 0.488 -6.130 -2.542 184 HA TRP 25 HA TRP 25 0.853 -4.276 -4.595 185 HB2 TRP 25 2HB TRP 25 2.333 -6.244 -4.171 186 HB3 TRP 25 3HB TRP 25 1.087 -7.313 -4.801 187 HD1 TRP 25 HD1 TRP 25 3.781 -4.844 -5.948 188 HE1 TRP 25 HE1 TRP 25 4.088 -5.048 -8.486 189 HE3 TRP 25 HE3 TRP 25 -0.186 -7.917 -7.012 190 HZ2 TRP 25 HZ2 TRP 25 2.821 -6.337 -10.657 191 HZ3 TRP 25 HZ3 TRP 25 -0.569 -8.588 -9.350 192 HH2 TRP 25 HH2 TRP 25 0.908 -7.809 -11.140 193 H THR 26 H THR 26 -1.365 -7.069 -4.454 194 HA THR 26 HA THR 26 -2.561 -6.708 -7.018 195 HB THR 26 HB THR 26 -3.665 -8.194 -4.586 196 HG1 THR 26 HG1 THR 26 -1.786 -9.185 -4.943 197 HG21 THR 26 3HG2 THR 26 -5.352 -7.982 -6.387 198 HG22 THR 26 1HG2 THR 26 -4.784 -9.650 -6.262 199 HG23 THR 26 2HG2 THR 26 -4.192 -8.609 -7.559 200 H LEU 27 H LEU 27 -3.116 -5.253 -3.909 201 HA LEU 27 HA LEU 27 -5.749 -4.208 -4.346 202 HB2 LEU 27 2HB LEU 27 -4.957 -4.568 -2.092 203 HB3 LEU 27 3HB LEU 27 -3.508 -3.620 -2.376 204 HG LEU 27 HG LEU 27 -4.839 -1.549 -2.456 205 HD11 LEU 27 1HD1 LEU 27 -6.895 -2.567 -3.401 206 HD12 LEU 27 2HD1 LEU 27 -7.185 -1.494 -2.045 207 HD13 LEU 27 3HD1 LEU 27 -7.257 -3.238 -1.808 208 HD21 LEU 27 3HD2 LEU 27 -3.946 -2.294 -0.281 209 HD22 LEU 27 1HD2 LEU 27 -5.427 -3.205 0.031 210 HD23 LEU 27 2HD2 LEU 27 -5.475 -1.443 -0.080 211 H VAL 28 H VAL 28 -2.452 -2.872 -4.520 212 HA VAL 28 HA VAL 28 -3.037 -0.309 -5.517 213 HB VAL 28 HB VAL 28 -0.574 -2.058 -6.032 214 HG11 VAL 28 1HG1 VAL 28 -0.645 -0.157 -7.568 215 HG12 VAL 28 2HG1 VAL 28 0.645 0.045 -6.384 216 HG13 VAL 28 3HG1 VAL 28 -0.857 0.958 -6.212 217 HG21 VAL 28 3HG2 VAL 28 0.446 -0.941 -4.101 218 HG22 VAL 28 1HG2 VAL 28 -1.035 -1.771 -3.627 219 HG23 VAL 28 2HG2 VAL 28 -1.036 -0.020 -3.825 220 H SER 29 H SER 29 -2.791 -3.442 -7.032 221 HA SER 29 HA SER 29 -2.941 -2.479 -9.787 222 HB2 SER 29 2HB SER 29 -1.434 -4.365 -9.215 223 HB3 SER 29 3HB SER 29 -2.808 -5.307 -8.638 224 HG SER 29 HG SER 29 -3.595 -5.400 -10.735 225 H ASP 30 H ASP 30 -5.260 -2.884 -7.426 226 HA ASP 30 HA ASP 30 -7.288 -4.247 -8.960 227 HB2 ASP 30 2HB ASP 30 -7.200 -4.467 -6.517 228 HB3 ASP 30 3HB ASP 30 -7.468 -2.734 -6.332 229 HA PRO 31 HA PRO 31 -8.693 -0.414 -11.035 230 HB2 PRO 31 2HB PRO 31 -10.619 -1.550 -12.598 231 HB3 PRO 31 3HB PRO 31 -8.885 -1.746 -12.943 232 HG2 PRO 31 2HG PRO 31 -10.728 -3.637 -11.494 233 HG3 PRO 31 3HG PRO 31 -9.590 -3.982 -12.818 234 HD2 PRO 31 2HD PRO 31 -8.950 -4.466 -10.240 235 HD3 PRO 31 3HD PRO 31 -7.724 -3.902 -11.409 236 H ASP 32 H ASP 32 -10.441 -2.386 -8.796 237 HA ASP 32 HA ASP 32 -12.817 -0.690 -8.721 238 HB2 ASP 32 2HB ASP 32 -13.052 -3.071 -8.210 239 HB3 ASP 32 3HB ASP 32 -11.886 -2.960 -6.901 240 H THR 33 H THR 33 -9.772 -0.988 -6.969 241 HA THR 33 HA THR 33 -10.627 1.050 -4.993 242 HB THR 33 HB THR 33 -8.659 0.263 -3.620 243 HG1 THR 33 HG1 THR 33 -7.341 -0.791 -4.979 244 HG21 THR 33 3HG2 THR 33 -10.924 -0.592 -3.095 245 HG22 THR 33 1HG2 THR 33 -9.690 -1.823 -2.801 246 HG23 THR 33 2HG2 THR 33 -10.696 -1.908 -4.249 247 H ASP 34 H ASP 34 -9.312 1.063 -7.863 248 HA ASP 34 HA ASP 34 -6.704 2.066 -7.736 249 HB2 ASP 34 2HB ASP 34 -6.962 2.620 -10.053 250 HB3 ASP 34 3HB ASP 34 -7.921 1.172 -9.783 251 H ALA 35 H ALA 35 -9.798 3.680 -7.481 252 HA ALA 35 HA ALA 35 -8.947 6.362 -7.717 253 HB1 ALA 35 3HB ALA 35 -11.136 6.941 -6.761 254 HB2 ALA 35 1HB ALA 35 -11.372 5.256 -6.266 255 HB3 ALA 35 2HB ALA 35 -11.286 5.672 -7.977 256 H LEU 36 H LEU 36 -8.950 4.133 -4.974 257 HA LEU 36 HA LEU 36 -8.249 6.332 -3.117 258 HB2 LEU 36 2HB LEU 36 -9.193 3.503 -2.492 259 HB3 LEU 36 3HB LEU 36 -8.761 4.712 -1.291 260 HG LEU 36 HG LEU 36 -11.141 4.793 -3.189 261 HD11 LEU 36 1HD1 LEU 36 -11.029 4.671 -0.158 262 HD12 LEU 36 2HD1 LEU 36 -11.421 3.326 -1.231 263 HD13 LEU 36 3HD1 LEU 36 -12.491 4.722 -1.148 264 HD21 LEU 36 3HD2 LEU 36 -10.243 6.938 -1.239 265 HD22 LEU 36 1HD2 LEU 36 -11.772 6.928 -2.124 266 HD23 LEU 36 2HD2 LEU 36 -10.250 7.058 -3.001 267 H ILE 37 H ILE 37 -6.867 3.735 -4.865 268 HA ILE 37 HA ILE 37 -4.270 4.375 -3.806 269 HB ILE 37 HB ILE 37 -4.974 2.715 -2.160 270 HG12 ILE 37 2HG1 ILE 37 -2.881 1.475 -4.010 271 HG13 ILE 37 3HG1 ILE 37 -2.569 2.778 -2.866 272 HG21 ILE 37 1HG2 ILE 37 -6.639 1.480 -3.473 273 HG22 ILE 37 2HG2 ILE 37 -5.500 0.378 -2.705 274 HG23 ILE 37 3HG2 ILE 37 -5.359 0.732 -4.431 275 HD11 ILE 37 3HD1 ILE 37 -3.444 -0.027 -2.160 276 HD12 ILE 37 1HD1 ILE 37 -3.173 1.288 -1.008 277 HD13 ILE 37 2HD1 ILE 37 -1.834 0.664 -1.970 278 H CYS 38 H CYS 38 -2.926 4.456 -5.509 279 HA CYS 38 HA CYS 38 -3.216 2.566 -7.759 280 HB2 CYS 38 2HB CYS 38 -3.086 4.420 -9.399 281 HB3 CYS 38 3HB CYS 38 -4.520 4.576 -8.387 282 HG CYS 38 HG CYS 38 -1.777 6.560 -8.539 283 H TRP 39 H TRP 39 -1.320 2.247 -8.937 284 HA TRP 39 HA TRP 39 1.173 2.659 -7.566 285 HB2 TRP 39 2HB TRP 39 2.128 1.598 -9.769 286 HB3 TRP 39 3HB TRP 39 1.115 0.607 -8.728 287 HD1 TRP 39 HD1 TRP 39 -1.122 -0.330 -9.736 288 HE1 TRP 39 HE1 TRP 39 -2.217 -0.250 -12.053 289 HE3 TRP 39 HE3 TRP 39 1.881 3.179 -11.963 290 HZ2 TRP 39 HZ2 TRP 39 -1.872 1.097 -14.491 291 HZ3 TRP 39 HZ3 TRP 39 1.429 3.807 -14.299 292 HH2 TRP 39 HH2 TRP 39 -0.414 2.784 -15.541 293 H SER 40 H SER 40 2.995 3.825 -8.288 294 HA SER 40 HA SER 40 2.553 6.183 -9.885 295 HB2 SER 40 2HB SER 40 5.121 5.036 -8.695 296 HB3 SER 40 3HB SER 40 4.920 6.664 -9.350 297 HG SER 40 HG SER 40 4.747 6.538 -7.037 298 HA PRO 41 HA PRO 41 3.528 4.405 -13.935 299 HB2 PRO 41 2HB PRO 41 5.049 7.008 -14.251 300 HB3 PRO 41 3HB PRO 41 3.912 6.213 -15.368 301 HG2 PRO 41 2HG PRO 41 3.068 8.257 -13.933 302 HG3 PRO 41 3HG PRO 41 2.024 6.827 -14.112 303 HD2 PRO 41 2HD PRO 41 3.681 7.673 -11.746 304 HD3 PRO 41 3HD PRO 41 2.066 6.922 -11.791 305 H SER 42 H SER 42 6.115 5.569 -11.815 306 HA SER 42 HA SER 42 8.312 4.443 -13.259 307 HB2 SER 42 2HB SER 42 8.054 5.216 -10.325 308 HB3 SER 42 3HB SER 42 9.575 4.799 -11.122 309 HG SER 42 HG SER 42 9.642 6.856 -11.584 310 H GLY 43 H GLY 43 6.054 3.163 -10.903 311 HA2 GLY 43 2HA GLY 43 5.496 1.024 -10.370 312 HA3 GLY 43 3HA GLY 43 6.651 0.460 -11.564 313 H ASN 44 H ASN 44 6.489 1.874 -8.333 314 HA ASN 44 HA ASN 44 8.372 0.188 -7.112 315 HB2 ASN 44 2HB ASN 44 10.208 1.908 -6.711 316 HB3 ASN 44 3HB ASN 44 10.119 1.267 -8.346 317 HD21 ASN 44 1HD2 ASN 44 11.374 3.123 -8.904 318 HD22 ASN 44 2HD2 ASN 44 10.613 4.652 -9.175 319 H SER 45 H SER 45 6.237 2.846 -7.086 320 HA SER 45 HA SER 45 6.052 2.790 -4.176 321 HB2 SER 45 2HB SER 45 5.839 5.322 -4.221 322 HB3 SER 45 3HB SER 45 7.456 4.739 -4.606 323 HG SER 45 HG SER 45 6.541 6.431 -6.003 324 H PHE 46 H PHE 46 3.914 3.709 -3.478 325 HA PHE 46 HA PHE 46 1.886 3.885 -5.610 326 HB2 PHE 46 2HB PHE 46 0.354 2.360 -4.420 327 HB3 PHE 46 3HB PHE 46 1.826 1.536 -4.903 328 HD1 PHE 46 HD2 PHE 46 3.557 0.949 -3.163 329 HD2 PHE 46 HD1 PHE 46 -0.275 2.503 -2.081 330 HE1 PHE 46 HE2 PHE 46 3.866 0.134 -0.864 331 HE2 PHE 46 HE1 PHE 46 0.044 1.681 0.216 332 HZ PHE 46 HZ PHE 46 2.113 0.497 0.825 333 H HIS 47 H HIS 47 0.046 5.039 -5.056 334 HA HIS 47 HA HIS 47 0.417 6.977 -2.868 335 HB2 HIS 47 2HB HIS 47 -1.156 7.160 -5.480 336 HB3 HIS 47 3HB HIS 47 -1.107 8.419 -4.246 337 HD1 HIS 47 HD1 HIS 47 0.809 10.047 -4.365 338 HD2 HIS 47 HD2 HIS 47 1.376 6.763 -6.850 339 HE1 HIS 47 HE1 HIS 47 2.843 10.583 -5.735 340 HE2 HIS 47 HE2 HIS 47 3.289 8.490 -7.050 341 H VAL 48 H VAL 48 -1.265 7.343 -1.425 342 HA VAL 48 HA VAL 48 -3.685 5.634 -1.606 343 HB VAL 48 HB VAL 48 -2.173 6.365 0.964 344 HG11 VAL 48 1HG1 VAL 48 -4.579 6.138 1.334 345 HG12 VAL 48 2HG1 VAL 48 -3.717 4.792 2.071 346 HG13 VAL 48 3HG1 VAL 48 -4.586 4.553 0.552 347 HG21 VAL 48 3HG2 VAL 48 -0.891 4.729 -0.338 348 HG22 VAL 48 1HG2 VAL 48 -2.306 3.678 -0.469 349 HG23 VAL 48 2HG2 VAL 48 -1.562 3.976 1.107 350 H PHE 49 H PHE 49 -5.576 6.676 -1.249 351 HA PHE 49 HA PHE 49 -5.577 9.587 -0.665 352 HB2 PHE 49 2HB PHE 49 -7.237 8.063 -2.729 353 HB3 PHE 49 3HB PHE 49 -7.484 9.757 -2.314 354 HD1 PHE 49 HD1 PHE 49 -5.219 7.348 -3.997 355 HD2 PHE 49 HD2 PHE 49 -6.004 11.476 -3.178 356 HE1 PHE 49 HE1 PHE 49 -3.577 8.007 -5.713 357 HE2 PHE 49 HE2 PHE 49 -4.362 12.119 -4.897 358 HZ PHE 49 HZ PHE 49 -3.151 10.386 -6.157 359 H ASP 50 H ASP 50 -7.380 10.403 0.389 360 HA ASP 50 HA ASP 50 -9.069 10.503 1.904 361 HB2 ASP 50 2HB ASP 50 -10.206 8.194 0.239 362 HB3 ASP 50 3HB ASP 50 -11.109 9.143 1.417 363 H GLN 51 H GLN 51 -7.261 9.628 3.284 364 HA GLN 51 HA GLN 51 -6.702 7.072 3.964 365 HB2 GLN 51 2HB GLN 51 -6.668 9.451 5.862 366 HB3 GLN 51 3HB GLN 51 -5.774 7.950 6.088 367 HG2 GLN 51 2HG GLN 51 -5.360 9.827 3.735 368 HG3 GLN 51 3HG GLN 51 -4.396 9.849 5.212 369 HE21 GLN 51 1HE2 GLN 51 -2.504 9.389 4.048 370 HE22 GLN 51 2HE2 GLN 51 -2.174 7.831 3.389 371 H GLY 52 H GLY 52 -9.338 8.970 5.333 372 HA2 GLY 52 2HA GLY 52 -10.088 7.145 7.409 373 HA3 GLY 52 3HA GLY 52 -11.060 8.464 6.770 374 H GLN 53 H GLN 53 -11.306 7.719 4.083 375 HA GLN 53 HA GLN 53 -13.481 5.838 4.279 376 HB2 GLN 53 2HB GLN 53 -13.502 7.836 2.771 377 HB3 GLN 53 3HB GLN 53 -12.212 7.121 1.813 378 HG2 GLN 53 2HG GLN 53 -14.358 6.824 0.701 379 HG3 GLN 53 3HG GLN 53 -13.707 5.258 1.182 380 HE21 GLN 53 1HE2 GLN 53 -15.712 4.246 1.181 381 HE22 GLN 53 2HE2 GLN 53 -16.945 4.579 2.340 382 H PHE 54 H PHE 54 -10.274 5.836 2.778 383 HA PHE 54 HA PHE 54 -10.127 3.360 1.595 384 HB2 PHE 54 2HB PHE 54 -8.425 5.107 1.289 385 HB3 PHE 54 3HB PHE 54 -7.982 5.042 2.985 386 HD1 PHE 54 HD2 PHE 54 -7.630 3.390 -0.292 387 HD2 PHE 54 HD1 PHE 54 -6.537 3.233 3.839 388 HE1 PHE 54 HE2 PHE 54 -5.860 1.768 -0.807 389 HE2 PHE 54 HE1 PHE 54 -4.761 1.613 3.305 390 HZ PHE 54 HZ PHE 54 -4.427 0.873 0.978 391 H ALA 55 H ALA 55 -9.120 4.264 4.908 392 HA ALA 55 HA ALA 55 -8.407 1.701 5.744 393 HB1 ALA 55 3HB ALA 55 -7.739 3.745 6.929 394 HB2 ALA 55 1HB ALA 55 -8.506 2.600 8.030 395 HB3 ALA 55 2HB ALA 55 -9.406 4.004 7.445 396 H LYS 56 H LYS 56 -11.506 3.262 5.566 397 HA LYS 56 HA LYS 56 -12.992 1.568 7.334 398 HB2 LYS 56 2HB LYS 56 -13.818 3.764 7.023 399 HB3 LYS 56 3HB LYS 56 -13.699 3.690 5.279 400 HG2 LYS 56 2HG LYS 56 -15.645 1.798 6.526 401 HG3 LYS 56 3HG LYS 56 -16.047 3.515 6.653 402 HD2 LYS 56 2HD LYS 56 -15.918 3.745 4.207 403 HD3 LYS 56 3HD LYS 56 -15.414 2.061 4.053 404 HE2 LYS 56 2HE LYS 56 -17.774 2.285 3.496 405 HE3 LYS 56 3HE LYS 56 -17.604 1.339 4.975 406 HZ1 LYS 56 3HZ LYS 56 -19.383 2.933 5.180 407 HZ2 LYS 56 1HZ LYS 56 -18.345 4.214 4.817 408 HZ3 LYS 56 2HZ LYS 56 -18.143 3.343 6.244 409 H GLU 57 H GLU 57 -12.760 1.647 3.725 410 HA GLU 57 HA GLU 57 -14.384 -0.834 3.648 411 HB2 GLU 57 2HB GLU 57 -14.849 -0.306 1.267 412 HB3 GLU 57 3HB GLU 57 -15.390 0.956 2.366 413 HG2 GLU 57 2HG GLU 57 -13.619 2.416 1.734 414 HG3 GLU 57 3HG GLU 57 -12.769 1.146 0.874 415 H VAL 58 H VAL 58 -11.251 0.424 2.613 416 HA VAL 58 HA VAL 58 -10.808 -1.684 0.653 417 HB VAL 58 HB VAL 58 -9.026 0.614 1.613 418 HG11 VAL 58 1HG1 VAL 58 -7.622 -1.163 0.758 419 HG12 VAL 58 2HG1 VAL 58 -7.669 0.150 -0.413 420 HG13 VAL 58 3HG1 VAL 58 -8.615 -1.315 -0.697 421 HG21 VAL 58 3HG2 VAL 58 -9.611 1.662 -0.568 422 HG22 VAL 58 1HG2 VAL 58 -11.024 1.421 0.460 423 HG23 VAL 58 2HG2 VAL 58 -10.729 0.335 -0.900 424 H LEU 59 H LEU 59 -9.460 -0.747 3.840 425 HA LEU 59 HA LEU 59 -7.453 -2.738 3.911 426 HB2 LEU 59 2HB LEU 59 -8.764 -1.225 6.197 427 HB3 LEU 59 3HB LEU 59 -7.420 -2.335 6.423 428 HG LEU 59 HG LEU 59 -7.378 0.302 4.894 429 HD11 LEU 59 1HD1 LEU 59 -5.716 0.961 6.577 430 HD12 LEU 59 2HD1 LEU 59 -5.896 -0.595 7.390 431 HD13 LEU 59 3HD1 LEU 59 -7.254 0.532 7.324 432 HD21 LEU 59 3HD2 LEU 59 -5.157 -1.763 5.092 433 HD22 LEU 59 1HD2 LEU 59 -4.984 -0.124 4.457 434 HD23 LEU 59 2HD2 LEU 59 -6.023 -1.280 3.631 435 HA PRO 60 HA PRO 60 -10.504 -5.703 6.281 436 HB2 PRO 60 2HB PRO 60 -13.213 -5.239 6.181 437 HB3 PRO 60 3HB PRO 60 -12.174 -4.587 7.465 438 HG2 PRO 60 2HG PRO 60 -13.210 -3.223 5.000 439 HG3 PRO 60 3HG PRO 60 -13.121 -2.605 6.668 440 HD2 PRO 60 2HD PRO 60 -11.296 -1.938 4.764 441 HD3 PRO 60 3HD PRO 60 -10.869 -2.069 6.487 442 H LYS 61 H LYS 61 -10.987 -4.326 3.198 443 HA LYS 61 HA LYS 61 -12.363 -6.459 1.868 444 HB2 LYS 61 2HB LYS 61 -12.207 -4.056 1.098 445 HB3 LYS 61 3HB LYS 61 -10.517 -4.317 0.711 446 HG2 LYS 61 2HG LYS 61 -11.116 -5.865 -1.075 447 HG3 LYS 61 3HG LYS 61 -12.824 -5.778 -0.617 448 HD2 LYS 61 2HD LYS 61 -12.773 -3.303 -1.115 449 HD3 LYS 61 3HD LYS 61 -11.119 -3.491 -1.697 450 HE2 LYS 61 2HE LYS 61 -13.431 -5.033 -2.908 451 HE3 LYS 61 3HE LYS 61 -12.995 -3.415 -3.442 452 HZ1 LYS 61 3HZ LYS 61 -10.833 -4.206 -4.091 453 HZ2 LYS 61 1HZ LYS 61 -12.029 -5.148 -4.827 454 HZ3 LYS 61 2HZ LYS 61 -11.177 -5.759 -3.505 455 H TYR 62 H TYR 62 -8.911 -5.417 1.685 456 HA TYR 62 HA TYR 62 -8.146 -8.065 0.606 457 HB2 TYR 62 2HB TYR 62 -6.671 -5.413 0.833 458 HB3 TYR 62 3HB TYR 62 -5.797 -6.908 0.481 459 HD1 TYR 62 HD2 TYR 62 -8.757 -4.937 -0.673 460 HD2 TYR 62 HD1 TYR 62 -5.644 -7.649 -1.755 461 HE1 TYR 62 HE2 TYR 62 -9.485 -4.821 -2.999 462 HE2 TYR 62 HE1 TYR 62 -6.381 -7.562 -4.094 463 HH TYR 62 HH TYR 62 -8.670 -5.270 -5.214 464 H PHE 63 H PHE 63 -7.547 -6.137 3.478 465 HA PHE 63 HA PHE 63 -6.130 -8.407 4.757 466 HB2 PHE 63 2HB PHE 63 -6.407 -5.548 5.814 467 HB3 PHE 63 3HB PHE 63 -5.261 -6.783 6.332 468 HD1 PHE 63 HD2 PHE 63 -3.602 -7.649 4.432 469 HD2 PHE 63 HD1 PHE 63 -5.659 -3.903 4.296 470 HE1 PHE 63 HE2 PHE 63 -1.977 -6.805 2.795 471 HE2 PHE 63 HE1 PHE 63 -4.026 -3.070 2.646 472 HZ PHE 63 HZ PHE 63 -2.183 -4.524 1.898 473 H LYS 64 H LYS 64 -6.842 -7.838 7.450 474 HA LYS 64 HA LYS 64 -9.781 -7.748 7.507 475 HB2 LYS 64 2HB LYS 64 -8.091 -10.041 8.582 476 HB3 LYS 64 3HB LYS 64 -9.657 -9.667 9.296 477 HG2 LYS 64 2HG LYS 64 -9.197 -10.331 6.367 478 HG3 LYS 64 3HG LYS 64 -9.803 -11.468 7.577 479 HD2 LYS 64 2HD LYS 64 -11.861 -10.277 7.818 480 HD3 LYS 64 3HD LYS 64 -11.233 -8.843 7.002 481 HE2 LYS 64 2HE LYS 64 -11.707 -11.515 5.635 482 HE3 LYS 64 3HE LYS 64 -12.838 -10.163 5.621 483 HZ1 LYS 64 3HZ LYS 64 -11.509 -10.201 3.619 484 HZ2 LYS 64 1HZ LYS 64 -10.081 -10.125 4.517 485 HZ3 LYS 64 2HZ LYS 64 -11.146 -8.816 4.517 486 H HIS 65 H HIS 65 -8.880 -5.605 8.012 487 HA HIS 65 HA HIS 65 -9.590 -5.031 10.702 488 HB2 HIS 65 2HB HIS 65 -7.523 -3.809 11.368 489 HB3 HIS 65 3HB HIS 65 -7.163 -5.512 11.108 490 HD1 HIS 65 HD1 HIS 65 -6.339 -2.111 9.819 491 HD2 HIS 65 HD2 HIS 65 -5.597 -6.062 8.777 492 HE1 HIS 65 HE1 HIS 65 -4.495 -2.027 8.131 493 HE2 HIS 65 HE2 HIS 65 -3.948 -4.430 7.643 494 H ASN 66 H ASN 66 -9.793 -2.635 10.951 495 HA ASN 66 HA ASN 66 -9.869 -1.200 8.356 496 HB2 ASN 66 2HB ASN 66 -11.799 0.131 9.288 497 HB3 ASN 66 3HB ASN 66 -12.158 -1.563 8.984 498 HD21 ASN 66 1HD2 ASN 66 -13.908 -1.523 10.385 499 HD22 ASN 66 2HD2 ASN 66 -13.724 -1.479 12.102 500 H ASN 67 H ASN 67 -8.439 -1.404 11.333 501 HA ASN 67 HA ASN 67 -7.931 1.324 11.955 502 HB2 ASN 67 2HB ASN 67 -7.743 -0.491 13.630 503 HB3 ASN 67 3HB ASN 67 -6.414 -1.208 12.727 504 HD21 ASN 67 1HD2 ASN 67 -4.988 -1.031 14.471 505 HD22 ASN 67 2HD2 ASN 67 -4.372 0.489 15.021 506 H MET 68 H MET 68 -6.739 2.675 10.749 507 HA MET 68 HA MET 68 -4.886 1.814 8.726 508 HB2 MET 68 2HB MET 68 -5.983 3.854 8.260 509 HB3 MET 68 3HB MET 68 -5.617 4.539 9.833 510 HG2 MET 68 2HG MET 68 -3.468 5.162 9.205 511 HG3 MET 68 3HG MET 68 -3.334 3.895 7.989 512 HE1 MET 68 3HE MET 68 -3.985 4.120 5.527 513 HE2 MET 68 1HE MET 68 -5.108 5.330 4.906 514 HE3 MET 68 2HE MET 68 -5.678 4.105 6.041 515 H ALA 69 H ALA 69 -4.557 2.816 12.090 516 HA ALA 69 HA ALA 69 -1.798 3.267 12.232 517 HB1 ALA 69 3HB ALA 69 -3.326 3.739 14.095 518 HB2 ALA 69 1HB ALA 69 -1.975 2.738 14.623 519 HB3 ALA 69 2HB ALA 69 -3.562 2.010 14.358 520 H SER 70 H SER 70 -3.615 0.233 12.340 521 HA SER 70 HA SER 70 -1.518 -1.597 12.703 522 HB2 SER 70 2HB SER 70 -3.893 -2.196 12.926 523 HB3 SER 70 3HB SER 70 -4.153 -1.932 11.202 524 HG SER 70 HG SER 70 -2.525 -3.907 12.436 525 H PHE 71 H PHE 71 -2.928 -0.224 9.719 526 HA PHE 71 HA PHE 71 -1.541 -1.830 7.842 527 HB2 PHE 71 2HB PHE 71 -3.592 -0.652 7.243 528 HB3 PHE 71 3HB PHE 71 -2.865 0.906 7.608 529 HD1 PHE 71 HD1 PHE 71 -2.169 -2.069 5.387 530 HD2 PHE 71 HD2 PHE 71 -2.283 2.194 5.746 531 HE1 PHE 71 HE1 PHE 71 -1.586 -1.845 3.008 532 HE2 PHE 71 HE2 PHE 71 -1.696 2.407 3.363 533 HZ PHE 71 HZ PHE 71 -1.351 0.387 1.991 534 H VAL 72 H VAL 72 -0.996 1.539 8.855 535 HA VAL 72 HA VAL 72 1.402 2.054 7.535 536 HB VAL 72 HB VAL 72 0.344 3.239 10.148 537 HG11 VAL 72 1HG1 VAL 72 2.477 4.364 8.291 538 HG12 VAL 72 2HG1 VAL 72 2.745 3.717 9.912 539 HG13 VAL 72 3HG1 VAL 72 1.789 5.183 9.697 540 HG21 VAL 72 3HG2 VAL 72 -1.214 3.507 8.241 541 HG22 VAL 72 1HG2 VAL 72 0.069 4.250 7.279 542 HG23 VAL 72 2HG2 VAL 72 -0.537 5.061 8.727 543 H ARG 73 H ARG 73 0.832 0.648 10.793 544 HA ARG 73 HA ARG 73 3.459 0.513 11.737 545 HB2 ARG 73 2HB ARG 73 1.530 -0.023 13.178 546 HB3 ARG 73 3HB ARG 73 1.168 -1.451 12.216 547 HG2 ARG 73 2HG ARG 73 3.390 -2.407 12.917 548 HG3 ARG 73 3HG ARG 73 3.609 -1.010 13.969 549 HD2 ARG 73 2HD ARG 73 1.687 -1.655 15.310 550 HD3 ARG 73 3HD ARG 73 1.292 -2.966 14.191 551 HE ARG 73 HE ARG 73 3.672 -2.861 15.958 552 HH11 ARG 73 1HH1 ARG 73 1.350 -4.768 14.111 553 HH12 ARG 73 2HH1 ARG 73 1.980 -6.285 14.679 554 HH21 ARG 73 1HH2 ARG 73 4.515 -4.867 16.643 555 HH22 ARG 73 2HH2 ARG 73 3.765 -6.340 16.107 556 H GLN 74 H GLN 74 1.654 -1.809 9.720 557 HA GLN 74 HA GLN 74 3.581 -3.841 9.530 558 HB2 GLN 74 2HB GLN 74 1.525 -2.958 7.463 559 HB3 GLN 74 3HB GLN 74 2.417 -4.469 7.399 560 HG2 GLN 74 2HG GLN 74 0.411 -3.685 9.526 561 HG3 GLN 74 3HG GLN 74 0.112 -4.776 8.178 562 HE21 GLN 74 1HE2 GLN 74 1.164 -6.852 8.188 563 HE22 GLN 74 2HE2 GLN 74 1.743 -7.543 9.662 564 H LEU 75 H LEU 75 2.967 -1.005 7.441 565 HA LEU 75 HA LEU 75 4.870 -1.451 5.468 566 HB2 LEU 75 2HB LEU 75 3.692 1.151 6.517 567 HB3 LEU 75 3HB LEU 75 4.586 1.019 5.010 568 HG LEU 75 HG LEU 75 2.006 -0.515 5.549 569 HD11 LEU 75 1HD1 LEU 75 2.317 2.100 4.045 570 HD12 LEU 75 2HD1 LEU 75 1.554 1.897 5.623 571 HD13 LEU 75 3HD1 LEU 75 0.839 1.149 4.200 572 HD21 LEU 75 3HD2 LEU 75 3.406 -1.514 3.813 573 HD22 LEU 75 1HD2 LEU 75 3.499 0.033 2.963 574 HD23 LEU 75 2HD2 LEU 75 1.952 -0.810 3.109 575 H ASN 76 H ASN 76 5.170 0.490 8.470 576 HA ASN 76 HA ASN 76 7.798 1.388 8.212 577 HB2 ASN 76 2HB ASN 76 6.123 0.744 10.669 578 HB3 ASN 76 3HB ASN 76 7.777 1.291 10.854 579 HD21 ASN 76 1HD2 ASN 76 4.553 2.257 10.093 580 HD22 ASN 76 2HD2 ASN 76 4.857 3.947 9.951 581 H MET 77 H MET 77 6.624 -1.724 9.452 582 HA MET 77 HA MET 77 9.210 -2.768 10.156 583 HB2 MET 77 2HB MET 77 6.539 -4.171 9.698 584 HB3 MET 77 3HB MET 77 7.985 -4.981 10.291 585 HG2 MET 77 2HG MET 77 7.989 -3.417 12.246 586 HG3 MET 77 3HG MET 77 6.455 -2.767 11.671 587 HE1 MET 77 3HE MET 77 4.053 -5.868 12.138 588 HE2 MET 77 1HE MET 77 4.924 -5.485 10.651 589 HE3 MET 77 2HE MET 77 4.175 -4.195 11.598 590 H TYR 78 H TYR 78 7.223 -2.808 7.240 591 HA TYR 78 HA TYR 78 8.967 -4.693 5.843 592 HB2 TYR 78 2HB TYR 78 6.394 -3.282 5.064 593 HB3 TYR 78 3HB TYR 78 7.357 -4.146 3.876 594 HD1 TYR 78 HD1 TYR 78 7.850 -6.657 4.324 595 HD2 TYR 78 HD2 TYR 78 4.779 -4.492 6.351 596 HE1 TYR 78 HE1 TYR 78 6.721 -8.765 4.882 597 HE2 TYR 78 HE2 TYR 78 3.656 -6.602 6.915 598 HH TYR 78 HH TYR 78 5.141 -9.627 6.555 599 H GLY 79 H GLY 79 9.208 -1.499 6.598 600 HA2 GLY 79 2HA GLY 79 11.007 -0.147 6.094 601 HA3 GLY 79 3HA GLY 79 11.453 -1.243 4.798 602 H PHE 80 H PHE 80 8.191 -0.121 4.695 603 HA PHE 80 HA PHE 80 8.633 1.361 2.283 604 HB2 PHE 80 2HB PHE 80 6.160 0.861 3.983 605 HB3 PHE 80 3HB PHE 80 6.126 1.924 2.578 606 HD1 PHE 80 HD1 PHE 80 6.550 -1.575 3.694 607 HD2 PHE 80 HD2 PHE 80 6.227 1.041 0.328 608 HE1 PHE 80 HE1 PHE 80 6.227 -3.511 2.215 609 HE2 PHE 80 HE2 PHE 80 5.899 -0.903 -1.140 610 HZ PHE 80 HZ PHE 80 5.902 -3.177 -0.199 611 H ARG 81 H ARG 81 8.897 3.451 2.052 612 HA ARG 81 HA ARG 81 9.178 5.141 4.437 613 HB2 ARG 81 2HB ARG 81 11.171 4.916 3.116 614 HB3 ARG 81 3HB ARG 81 10.305 5.209 1.612 615 HG2 ARG 81 2HG ARG 81 9.983 7.551 2.217 616 HG3 ARG 81 3HG ARG 81 10.780 7.288 3.773 617 HD2 ARG 81 2HD ARG 81 12.888 6.843 2.716 618 HD3 ARG 81 3HD ARG 81 12.144 6.734 1.114 619 HE ARG 81 HE ARG 81 11.782 9.308 2.344 620 HH11 ARG 81 1HH1 ARG 81 14.096 7.339 0.547 621 HH12 ARG 81 2HH1 ARG 81 14.921 8.716 -0.121 622 HH21 ARG 81 1HH2 ARG 81 12.828 11.095 1.404 623 HH22 ARG 81 2HH2 ARG 81 14.200 10.849 0.369 624 H LYS 82 H LYS 82 7.705 6.625 4.825 625 HA LYS 82 HA LYS 82 5.445 7.080 3.078 626 HB2 LYS 82 2HB LYS 82 5.257 6.656 5.533 627 HB3 LYS 82 3HB LYS 82 6.145 8.131 5.870 628 HG2 LYS 82 2HG LYS 82 3.546 8.223 4.339 629 HG3 LYS 82 3HG LYS 82 3.544 8.089 6.096 630 HD2 LYS 82 2HD LYS 82 4.847 10.214 6.237 631 HD3 LYS 82 3HD LYS 82 4.803 10.340 4.476 632 HE2 LYS 82 2HE LYS 82 3.088 11.771 5.416 633 HE3 LYS 82 3HE LYS 82 2.312 10.432 4.574 634 HZ1 LYS 82 3HZ LYS 82 1.984 9.347 6.726 635 HZ2 LYS 82 1HZ LYS 82 1.240 10.866 6.675 636 HZ3 LYS 82 2HZ LYS 82 2.695 10.663 7.513 637 H VAL 83 H VAL 83 5.284 8.762 1.696 638 HA VAL 83 HA VAL 83 6.742 11.290 2.191 639 HB VAL 83 HB VAL 83 6.293 9.961 -0.546 640 HG11 VAL 83 1HG1 VAL 83 7.693 12.588 0.108 641 HG12 VAL 83 2HG1 VAL 83 6.148 12.398 -0.728 642 HG13 VAL 83 3HG1 VAL 83 7.633 11.819 -1.479 643 HG21 VAL 83 3HG2 VAL 83 8.750 9.727 -0.659 644 HG22 VAL 83 1HG2 VAL 83 8.077 8.833 0.706 645 HG23 VAL 83 2HG2 VAL 83 8.898 10.372 0.980 646 H VAL 84 H VAL 84 5.284 12.936 2.397 647 HA VAL 84 HA VAL 84 2.497 12.486 1.496 648 HB VAL 84 HB VAL 84 2.687 12.911 3.910 649 HG11 VAL 84 1HG1 VAL 84 4.766 14.198 3.983 650 HG12 VAL 84 2HG1 VAL 84 3.475 15.026 4.854 651 HG13 VAL 84 3HG1 VAL 84 3.952 15.582 3.247 652 HG21 VAL 84 3HG2 VAL 84 1.067 14.755 4.106 653 HG22 VAL 84 1HG2 VAL 84 0.676 13.708 2.742 654 HG23 VAL 84 2HG2 VAL 84 1.438 15.277 2.460 655 H HIS 85 H HIS 85 1.763 13.660 -0.172 656 HA HIS 85 HA HIS 85 3.499 15.782 -1.309 657 HB2 HIS 85 2HB HIS 85 1.340 14.071 -2.626 658 HB3 HIS 85 3HB HIS 85 2.257 15.342 -3.443 659 HD1 HIS 85 HD1 HIS 85 4.455 14.642 -4.464 660 HD2 HIS 85 HD2 HIS 85 3.064 11.834 -1.725 661 HE1 HIS 85 HE1 HIS 85 6.053 12.706 -4.595 662 HE2 HIS 85 HE2 HIS 85 5.152 10.997 -3.002 663 H ILE 86 H ILE 86 0.380 15.202 0.101 664 HA ILE 86 HA ILE 86 -0.598 17.879 -0.636 665 HB ILE 86 HB ILE 86 -2.013 15.692 0.962 666 HG12 ILE 86 2HG1 ILE 86 -1.753 14.889 -1.273 667 HG13 ILE 86 3HG1 ILE 86 -3.405 15.474 -1.163 668 HG21 ILE 86 1HG2 ILE 86 -3.110 18.300 -0.166 669 HG22 ILE 86 2HG2 ILE 86 -2.862 17.922 1.541 670 HG23 ILE 86 3HG2 ILE 86 -4.065 17.032 0.608 671 HD11 ILE 86 3HD1 ILE 86 -2.417 16.065 -3.279 672 HD12 ILE 86 1HD1 ILE 86 -1.085 16.892 -2.476 673 HD13 ILE 86 2HD1 ILE 86 -2.729 17.526 -2.346 674 H GLU 87 H GLU 87 0.528 19.288 0.519 675 HA GLU 87 HA GLU 87 0.925 19.253 3.342 676 HB2 GLU 87 2HB GLU 87 0.665 21.671 1.507 677 HB3 GLU 87 3HB GLU 87 1.439 21.627 3.092 678 HG2 GLU 87 2HG GLU 87 3.177 20.126 2.201 679 HG3 GLU 87 3HG GLU 87 2.401 20.150 0.619 680 H GLN 88 H GLN 88 -0.618 19.489 4.858 681 HA GLN 88 HA GLN 88 -3.323 19.294 4.176 682 HB2 GLN 88 2HB GLN 88 -2.007 19.767 6.875 683 HB3 GLN 88 3HB GLN 88 -3.744 19.545 6.697 684 HG2 GLN 88 2HG GLN 88 -2.806 17.429 7.335 685 HG3 GLN 88 3HG GLN 88 -3.319 17.309 5.655 686 HE21 GLN 88 1HE2 GLN 88 -1.942 15.663 5.038 687 HE22 GLN 88 2HE2 GLN 88 -0.216 15.788 5.052 688 H GLY 89 H GLY 89 -4.423 20.797 3.259 689 HA2 GLY 89 2HA GLY 89 -5.611 22.925 4.442 690 HA3 GLY 89 3HA GLY 89 -4.151 23.620 3.733 691 H GLY 90 H GLY 90 -6.435 24.584 2.844 692 HA2 GLY 90 2HA GLY 90 -7.447 23.266 0.462 693 HA3 GLY 90 3HA GLY 90 -7.909 24.843 1.083 694 H LEU 91 H LEU 91 -4.925 23.335 -0.130 695 HA LEU 91 HA LEU 91 -4.055 25.795 -1.416 696 HB2 LEU 91 2HB LEU 91 -2.755 23.034 -1.303 697 HB3 LEU 91 3HB LEU 91 -1.987 24.498 -1.898 698 HG LEU 91 HG LEU 91 -2.795 23.913 0.978 699 HD11 LEU 91 1HD1 LEU 91 -0.376 23.995 1.430 700 HD12 LEU 91 2HD1 LEU 91 -0.054 24.243 -0.289 701 HD13 LEU 91 3HD1 LEU 91 -0.776 22.730 0.267 702 HD21 LEU 91 3HD2 LEU 91 -1.584 26.458 -0.155 703 HD22 LEU 91 1HD2 LEU 91 -1.751 26.085 1.564 704 HD23 LEU 91 2HD2 LEU 91 -3.186 26.276 0.562 705 H VAL 92 H VAL 92 -2.784 25.070 -3.668 706 HA VAL 92 HA VAL 92 -4.837 24.393 -5.613 707 HB VAL 92 HB VAL 92 -3.168 26.223 -5.945 708 HG11 VAL 92 1HG1 VAL 92 -1.204 25.191 -4.929 709 HG12 VAL 92 2HG1 VAL 92 -0.848 25.770 -6.556 710 HG13 VAL 92 3HG1 VAL 92 -1.087 24.044 -6.268 711 HG21 VAL 92 3HG2 VAL 92 -4.309 25.300 -7.903 712 HG22 VAL 92 1HG2 VAL 92 -3.042 24.086 -8.109 713 HG23 VAL 92 2HG2 VAL 92 -2.673 25.801 -8.325 714 H LYS 93 H LYS 93 -4.522 22.319 -3.973 715 HA LYS 93 HA LYS 93 -3.314 20.088 -5.436 716 HB2 LYS 93 2HB LYS 93 -3.149 20.599 -2.404 717 HB3 LYS 93 3HB LYS 93 -2.647 19.111 -3.203 718 HG2 LYS 93 2HG LYS 93 -0.844 20.313 -4.367 719 HG3 LYS 93 3HG LYS 93 -1.372 21.831 -3.628 720 HD2 LYS 93 2HD LYS 93 -0.849 20.957 -1.380 721 HD3 LYS 93 3HD LYS 93 -0.379 19.399 -2.071 722 HE2 LYS 93 2HE LYS 93 0.996 22.051 -2.619 723 HE3 LYS 93 3HE LYS 93 1.577 20.806 -1.514 724 HZ1 LYS 93 3HZ LYS 93 1.287 20.563 -4.467 725 HZ2 LYS 93 1HZ LYS 93 1.688 19.279 -3.440 726 HZ3 LYS 93 2HZ LYS 93 2.729 20.601 -3.586 727 HA PRO 94 HA PRO 94 -7.393 18.324 -4.151 728 HB2 PRO 94 2HB PRO 94 -6.859 15.665 -3.856 729 HB3 PRO 94 3HB PRO 94 -6.944 16.422 -5.464 730 HG2 PRO 94 2HG PRO 94 -4.514 15.841 -3.796 731 HG3 PRO 94 3HG PRO 94 -4.803 15.457 -5.511 732 HD2 PRO 94 2HD PRO 94 -3.367 17.634 -4.809 733 HD3 PRO 94 3HD PRO 94 -4.476 17.693 -6.200 734 H GLU 95 H GLU 95 -8.322 18.143 -2.162 735 HA GLU 95 HA GLU 95 -6.686 18.602 0.181 736 HB2 GLU 95 2HB GLU 95 -8.886 18.768 1.400 737 HB3 GLU 95 3HB GLU 95 -8.728 19.875 0.042 738 HG2 GLU 95 2HG GLU 95 -10.167 18.505 -1.339 739 HG3 GLU 95 3HG GLU 95 -10.175 17.221 -0.133 740 H ARG 96 H ARG 96 -8.042 15.850 -1.304 741 HA ARG 96 HA ARG 96 -8.162 14.128 0.977 742 HB2 ARG 96 2HB ARG 96 -8.435 12.298 -0.658 743 HB3 ARG 96 3HB ARG 96 -9.499 13.651 -1.018 744 HG2 ARG 96 2HG ARG 96 -7.814 14.378 -2.773 745 HG3 ARG 96 3HG ARG 96 -6.977 12.853 -2.483 746 HD2 ARG 96 2HD ARG 96 -8.343 12.456 -4.381 747 HD3 ARG 96 3HD ARG 96 -9.203 11.693 -3.046 748 HE ARG 96 HE ARG 96 -9.904 14.343 -4.192 749 HH11 ARG 96 1HH1 ARG 96 -10.948 11.324 -2.706 750 HH12 ARG 96 2HH1 ARG 96 -12.631 11.730 -2.821 751 HH21 ARG 96 1HH2 ARG 96 -12.112 14.825 -4.353 752 HH22 ARG 96 2HH2 ARG 96 -13.282 13.698 -3.744 753 H ASP 97 H ASP 97 -6.404 13.890 2.125 754 HA ASP 97 HA ASP 97 -3.787 14.277 1.647 755 HB2 ASP 97 2HB ASP 97 -4.939 12.138 3.470 756 HB3 ASP 97 3HB ASP 97 -3.274 12.707 3.533 757 H ASP 98 H ASP 98 -2.551 13.590 0.048 758 HA ASP 98 HA ASP 98 -2.674 10.844 -0.977 759 HB2 ASP 98 2HB ASP 98 -2.613 12.557 -2.724 760 HB3 ASP 98 3HB ASP 98 -1.223 13.337 -1.981 761 H THR 99 H THR 99 -1.302 9.402 -0.237 762 HA THR 99 HA THR 99 1.253 10.230 1.012 763 HB THR 99 HB THR 99 -0.669 8.097 2.071 764 HG1 THR 99 HG1 THR 99 -1.165 10.450 2.361 765 HG21 THR 99 3HG2 THR 99 1.972 9.145 3.170 766 HG22 THR 99 1HG2 THR 99 1.679 7.527 2.533 767 HG23 THR 99 2HG2 THR 99 0.878 8.047 4.016 768 H GLU 100 H GLU 100 2.846 9.302 -0.009 769 HA GLU 100 HA GLU 100 2.413 6.984 -1.765 770 HB2 GLU 100 2HB GLU 100 3.068 9.009 -2.976 771 HB3 GLU 100 3HB GLU 100 4.459 9.251 -1.920 772 HG2 GLU 100 2HG GLU 100 5.456 7.145 -2.771 773 HG3 GLU 100 3HG GLU 100 4.064 6.917 -3.831 774 H PHE 101 H PHE 101 3.062 5.192 -0.742 775 HA PHE 101 HA PHE 101 5.425 5.214 1.018 776 HB2 PHE 101 2HB PHE 101 3.462 2.948 0.425 777 HB3 PHE 101 3HB PHE 101 4.747 2.913 1.624 778 HD1 PHE 101 HD1 PHE 101 4.586 4.482 3.636 779 HD2 PHE 101 HD2 PHE 101 1.308 3.812 0.972 780 HE1 PHE 101 HE1 PHE 101 3.017 5.322 5.340 781 HE2 PHE 101 HE2 PHE 101 -0.253 4.654 2.677 782 HZ PHE 101 HZ PHE 101 0.594 5.413 4.862 783 H GLN 102 H GLN 102 7.341 4.540 0.258 784 HA GLN 102 HA GLN 102 7.464 3.179 -2.384 785 HB2 GLN 102 2HB GLN 102 9.434 4.553 -2.939 786 HB3 GLN 102 3HB GLN 102 8.018 5.554 -2.647 787 HG2 GLN 102 2HG GLN 102 8.872 6.144 -0.417 788 HG3 GLN 102 3HG GLN 102 10.280 5.115 -0.670 789 HE21 GLN 102 1HE2 GLN 102 10.280 7.928 -0.080 790 HE22 GLN 102 2HE2 GLN 102 11.027 8.740 -1.410 791 H HIS 103 H HIS 103 9.056 1.652 -2.673 792 HA HIS 103 HA HIS 103 11.177 1.231 -0.738 793 HB2 HIS 103 2HB HIS 103 9.136 0.013 0.238 794 HB3 HIS 103 3HB HIS 103 9.167 -1.042 -1.172 795 HD1 HIS 103 HD1 HIS 103 10.662 -3.061 -0.992 796 HD2 HIS 103 HD2 HIS 103 11.577 -0.160 1.833 797 HE1 HIS 103 HE1 HIS 103 12.465 -4.051 0.457 798 HE2 HIS 103 HE2 HIS 103 12.915 -2.326 2.214 799 HA PRO 104 HA PRO 104 13.025 0.343 -4.723 800 HB2 PRO 104 2HB PRO 104 15.332 -0.974 -3.923 801 HB3 PRO 104 3HB PRO 104 15.107 0.782 -3.801 802 HG2 PRO 104 2HG PRO 104 14.731 -1.311 -1.668 803 HG3 PRO 104 3HG PRO 104 15.577 0.254 -1.574 804 HD2 PRO 104 2HD PRO 104 13.092 -0.009 -0.617 805 HD3 PRO 104 3HD PRO 104 13.575 1.480 -1.467 806 H CYS 105 H CYS 105 12.529 -2.309 -2.442 807 HA CYS 105 HA CYS 105 12.846 -4.368 -4.513 808 HB2 CYS 105 2HB CYS 105 12.177 -4.712 -1.567 809 HB3 CYS 105 3HB CYS 105 12.603 -5.993 -2.700 810 HG CYS 105 HG CYS 105 15.181 -4.606 -3.160 811 H PHE 106 H PHE 106 10.389 -2.346 -3.592 812 HA PHE 106 HA PHE 106 8.243 -4.296 -4.227 813 HB2 PHE 106 2HB PHE 106 7.905 -2.888 -2.161 814 HB3 PHE 106 3HB PHE 106 8.002 -1.435 -3.143 815 HD1 PHE 106 HD1 PHE 106 5.909 -4.345 -2.246 816 HD2 PHE 106 HD2 PHE 106 6.102 -0.762 -4.575 817 HE1 PHE 106 HE1 PHE 106 3.474 -4.442 -2.601 818 HE2 PHE 106 HE2 PHE 106 3.666 -0.867 -4.925 819 HZ PHE 106 HZ PHE 106 2.353 -2.705 -3.939 820 H LEU 107 H LEU 107 8.412 -4.414 -6.466 821 HA LEU 107 HA LEU 107 8.183 -1.869 -7.979 822 HB2 LEU 107 2HB LEU 107 9.451 -4.479 -8.892 823 HB3 LEU 107 3HB LEU 107 9.354 -3.000 -9.832 824 HG LEU 107 HG LEU 107 10.997 -3.414 -7.302 825 HD11 LEU 107 1HD1 LEU 107 11.924 -4.573 -9.250 826 HD12 LEU 107 2HD1 LEU 107 12.949 -3.230 -8.754 827 HD13 LEU 107 3HD1 LEU 107 11.907 -3.064 -10.171 828 HD21 LEU 107 3HD2 LEU 107 11.947 -1.185 -7.733 829 HD22 LEU 107 1HD2 LEU 107 10.217 -1.110 -7.396 830 HD23 LEU 107 2HD2 LEU 107 10.799 -0.949 -9.054 831 H ARG 108 H ARG 108 7.089 -2.103 -10.093 832 HA ARG 108 HA ARG 108 4.571 -3.542 -9.841 833 HB2 ARG 108 2HB ARG 108 4.723 -1.193 -10.732 834 HB3 ARG 108 3HB ARG 108 5.627 -1.796 -12.116 835 HG2 ARG 108 2HG ARG 108 3.659 -3.155 -12.786 836 HG3 ARG 108 3HG ARG 108 2.760 -2.503 -11.414 837 HD2 ARG 108 2HD ARG 108 3.035 -0.214 -12.359 838 HD3 ARG 108 3HD ARG 108 3.871 -0.919 -13.753 839 HE ARG 108 HE ARG 108 1.151 -1.859 -13.152 840 HH11 ARG 108 1HH1 ARG 108 3.241 0.095 -15.215 841 HH12 ARG 108 2HH1 ARG 108 2.064 0.238 -16.486 842 HH21 ARG 108 1HH2 ARG 108 -0.399 -1.651 -14.816 843 HH22 ARG 108 2HH2 ARG 108 -0.004 -0.758 -16.256 844 H GLY 109 H GLY 109 4.211 -5.496 -10.646 845 HA2 GLY 109 2HA GLY 109 4.425 -7.490 -11.749 846 HA3 GLY 109 3HA GLY 109 5.147 -6.581 -13.073 847 H GLN 110 H GLN 110 6.020 -7.564 -9.746 848 HA GLN 110 HA GLN 110 8.518 -8.761 -10.601 849 HB2 GLN 110 2HB GLN 110 8.827 -6.181 -10.517 850 HB3 GLN 110 3HB GLN 110 8.679 -6.329 -8.773 851 HG2 GLN 110 2HG GLN 110 10.978 -6.233 -9.211 852 HG3 GLN 110 3HG GLN 110 10.662 -7.930 -8.872 853 HE21 GLN 110 1HE2 GLN 110 12.883 -6.699 -10.328 854 HE22 GLN 110 2HE2 GLN 110 12.898 -7.425 -11.895 855 H GLU 111 H GLU 111 6.842 -10.211 -9.583 856 HA GLU 111 HA GLU 111 6.115 -10.470 -6.950 857 HB2 GLU 111 2HB GLU 111 6.879 -12.741 -8.846 858 HB3 GLU 111 3HB GLU 111 5.946 -12.939 -7.366 859 HG2 GLU 111 2HG GLU 111 4.393 -13.026 -9.138 860 HG3 GLU 111 3HG GLU 111 4.187 -11.447 -8.399 861 H GLN 112 H GLN 112 9.053 -11.626 -8.520 862 HA GLN 112 HA GLN 112 10.061 -13.109 -6.359 863 HB2 GLN 112 2HB GLN 112 12.000 -13.520 -7.627 864 HB3 GLN 112 3HB GLN 112 10.714 -13.379 -8.810 865 HG2 GLN 112 2HG GLN 112 12.543 -11.049 -8.182 866 HG3 GLN 112 3HG GLN 112 13.002 -12.309 -9.320 867 HE21 GLN 112 1HE2 GLN 112 13.143 -10.767 -10.978 868 HE22 GLN 112 2HE2 GLN 112 11.738 -10.086 -11.726 869 H LEU 113 H LEU 113 10.158 -9.640 -6.854 870 HA LEU 113 HA LEU 113 12.378 -9.375 -4.928 871 HB2 LEU 113 2HB LEU 113 11.093 -7.323 -6.750 872 HB3 LEU 113 3HB LEU 113 12.175 -6.867 -5.443 873 HG LEU 113 HG LEU 113 12.874 -8.494 -7.923 874 HD11 LEU 113 1HD1 LEU 113 13.941 -5.829 -6.918 875 HD12 LEU 113 2HD1 LEU 113 12.823 -6.059 -8.263 876 HD13 LEU 113 3HD1 LEU 113 14.469 -6.675 -8.376 877 HD21 LEU 113 3HD2 LEU 113 14.625 -7.969 -5.503 878 HD22 LEU 113 1HD2 LEU 113 15.175 -8.661 -7.032 879 HD23 LEU 113 2HD2 LEU 113 14.010 -9.533 -6.040 880 H LEU 114 H LEU 114 8.936 -9.174 -5.109 881 HA LEU 114 HA LEU 114 8.411 -7.548 -2.843 882 HB2 LEU 114 2HB LEU 114 6.769 -9.886 -3.899 883 HB3 LEU 114 3HB LEU 114 6.191 -8.646 -2.797 884 HG LEU 114 HG LEU 114 7.014 -8.180 -5.691 885 HD11 LEU 114 1HD1 LEU 114 4.242 -8.234 -4.457 886 HD12 LEU 114 2HD1 LEU 114 4.933 -9.466 -5.516 887 HD13 LEU 114 3HD1 LEU 114 4.632 -7.845 -6.136 888 HD21 LEU 114 3HD2 LEU 114 5.830 -6.247 -3.668 889 HD22 LEU 114 1HD2 LEU 114 6.064 -5.917 -5.391 890 HD23 LEU 114 2HD2 LEU 114 7.458 -6.195 -4.352 891 H GLU 115 H GLU 115 9.216 -10.949 -3.210 892 HA GLU 115 HA GLU 115 8.975 -11.623 -0.405 893 HB2 GLU 115 2HB GLU 115 9.969 -13.774 -1.028 894 HB3 GLU 115 3HB GLU 115 8.671 -13.334 -2.132 895 HG2 GLU 115 2HG GLU 115 10.209 -12.780 -3.879 896 HG3 GLU 115 3HG GLU 115 11.585 -12.844 -2.780 897 H ASN 116 H ASN 116 11.290 -9.823 -2.046 898 HA ASN 116 HA ASN 116 13.492 -10.535 -0.227 899 HB2 ASN 116 2HB ASN 116 13.314 -8.654 -2.616 900 HB3 ASN 116 3HB ASN 116 14.667 -8.572 -1.494 901 HD21 ASN 116 1HD2 ASN 116 13.035 -10.622 -3.814 902 HD22 ASN 116 2HD2 ASN 116 14.362 -11.688 -4.083 903 H ILE 117 H ILE 117 10.734 -8.844 0.034 904 HA ILE 117 HA ILE 117 11.792 -6.708 1.756 905 HB ILE 117 HB ILE 117 8.871 -7.308 1.063 906 HG12 ILE 117 2HG1 ILE 117 10.725 -5.262 -0.238 907 HG13 ILE 117 3HG1 ILE 117 10.160 -6.750 -0.986 908 HG21 ILE 117 1HG2 ILE 117 10.144 -4.804 2.238 909 HG22 ILE 117 2HG2 ILE 117 9.173 -5.984 3.125 910 HG23 ILE 117 3HG2 ILE 117 8.436 -5.018 1.850 911 HD11 ILE 117 3HD1 ILE 117 7.853 -5.914 -0.884 912 HD12 ILE 117 1HD1 ILE 117 8.926 -4.868 -1.810 913 HD13 ILE 117 2HD1 ILE 117 8.446 -4.404 -0.180 914 H LYS 118 H LYS 118 11.846 -6.964 3.927 915 HA LYS 118 HA LYS 118 10.486 -9.297 5.174 916 HB2 LYS 118 2HB LYS 118 12.975 -7.783 6.081 917 HB3 LYS 118 3HB LYS 118 12.260 -9.144 6.930 918 HG2 LYS 118 2HG LYS 118 13.392 -9.352 4.121 919 HG3 LYS 118 3HG LYS 118 14.359 -9.599 5.570 920 HD2 LYS 118 2HD LYS 118 13.789 -11.781 4.938 921 HD3 LYS 118 3HD LYS 118 12.611 -11.417 6.196 922 HE2 LYS 118 2HE LYS 118 11.595 -12.579 4.265 923 HE3 LYS 118 3HE LYS 118 10.901 -10.982 4.494 924 HZ1 LYS 118 3HZ LYS 118 13.015 -11.652 2.515 925 HZ2 LYS 118 1HZ LYS 118 12.251 -10.159 2.689 926 HZ3 LYS 118 2HZ LYS 118 11.373 -11.500 2.158 927 H ARG 119 H ARG 119 9.373 -8.956 7.113 928 HA ARG 119 HA ARG 119 8.539 -6.277 7.886 929 HB2 ARG 119 2HB ARG 119 7.181 -7.532 9.600 930 HB3 ARG 119 3HB ARG 119 6.870 -8.029 7.940 931 HG2 ARG 119 2HG ARG 119 8.290 -10.008 8.235 932 HG3 ARG 119 3HG ARG 119 8.652 -9.529 9.890 933 HD2 ARG 119 2HD ARG 119 6.414 -9.972 10.603 934 HD3 ARG 119 3HD ARG 119 5.827 -10.076 8.938 935 HE ARG 119 HE ARG 119 7.425 -12.083 8.800 936 HH11 ARG 119 1HH1 ARG 119 5.669 -11.273 11.747 937 HH12 ARG 119 2HH1 ARG 119 5.611 -12.919 12.298 938 HH21 ARG 119 1HH2 ARG 119 7.253 -14.206 9.449 939 HH22 ARG 119 2HH2 ARG 119 6.521 -14.599 10.974 940 H LYS 120 H LYS 120 11.333 -6.750 8.145 941 HA LYS 120 HA LYS 120 11.816 -6.567 11.037 942 HB2 LYS 120 2HB LYS 120 13.587 -8.087 9.046 943 HB3 LYS 120 3HB LYS 120 13.932 -7.838 10.758 944 HG2 LYS 120 2HG LYS 120 11.893 -9.163 11.333 945 HG3 LYS 120 3HG LYS 120 11.637 -9.457 9.612 946 HD2 LYS 120 2HD LYS 120 14.032 -10.373 11.251 947 HD3 LYS 120 3HD LYS 120 12.721 -11.396 10.664 948 HE2 LYS 120 2HE LYS 120 13.413 -10.866 8.318 949 HE3 LYS 120 3HE LYS 120 14.770 -9.933 8.957 950 HZ1 LYS 120 3HZ LYS 120 15.611 -11.962 10.010 951 HZ2 LYS 120 1HZ LYS 120 15.450 -12.182 8.338 952 HZ3 LYS 120 2HZ LYS 120 14.310 -12.843 9.392 953 H VAL 121 H VAL 121 13.874 -5.425 11.504 954 HA VAL 121 HA VAL 121 13.880 -2.924 10.128 955 HB VAL 121 HB VAL 121 15.579 -2.236 11.807 956 HG11 VAL 121 1HG1 VAL 121 13.191 -2.130 12.388 957 HG12 VAL 121 2HG1 VAL 121 14.162 -2.494 13.811 958 HG13 VAL 121 3HG1 VAL 121 13.244 -3.781 13.018 959 HG21 VAL 121 3HG2 VAL 121 16.325 -3.817 13.560 960 HG22 VAL 121 1HG2 VAL 121 16.861 -4.330 11.960 961 HG23 VAL 121 2HG2 VAL 121 15.497 -5.140 12.733 962 H THR 122 H THR 122 15.536 -5.734 9.305 963 HA THR 122 HA THR 122 17.905 -4.688 8.139 964 HB THR 122 HB THR 122 17.569 -7.115 8.330 965 HG1 THR 122 HG1 THR 122 18.938 -6.266 6.622 966 HG21 THR 122 3HG2 THR 122 16.060 -8.341 6.822 967 HG22 THR 122 1HG2 THR 122 15.451 -6.811 6.177 968 HG23 THR 122 2HG2 THR 122 15.158 -7.240 7.864 969 H SER 123 H SER 123 14.555 -4.767 7.076 970 HA SER 123 HA SER 123 15.111 -3.073 4.740 971 HB2 SER 123 2HB SER 123 13.550 -5.014 4.512 972 HB3 SER 123 3HB SER 123 12.503 -4.322 5.750 973 HG SER 123 HG SER 123 11.690 -3.034 4.294 974 H VAL 124 H VAL 124 15.576 -1.056 5.546 975 HA VAL 124 HA VAL 124 14.318 -0.023 7.964 976 HB VAL 124 HB VAL 124 15.927 1.834 7.813 977 HG11 VAL 124 1HG1 VAL 124 18.025 0.558 8.058 978 HG12 VAL 124 2HG1 VAL 124 17.265 -0.854 7.316 979 HG13 VAL 124 3HG1 VAL 124 16.681 -0.249 8.867 980 HG21 VAL 124 3HG2 VAL 124 16.826 0.615 5.168 981 HG22 VAL 124 1HG2 VAL 124 17.619 1.954 6.008 982 HG23 VAL 124 2HG2 VAL 124 15.985 2.152 5.375 983 H SER 125 H SER 125 13.413 2.084 8.099 984 HA SER 125 HA SER 125 12.664 3.551 5.698 985 HB2 SER 125 2HB SER 125 10.249 3.750 6.671 986 HB3 SER 125 3HB SER 125 10.679 2.265 5.826 987 HG SER 125 HG SER 125 10.444 1.181 7.622 Start of MODEL 5 1 H1 MET 1 1H MET 1 7.371 -56.713 12.548 2 H2 MET 1 2H MET 1 8.310 -58.092 12.285 3 H3 MET 1 3H MET 1 7.553 -57.314 10.982 4 HA MET 1 HA MET 1 9.679 -56.134 12.683 5 HB2 MET 1 2HB MET 1 9.800 -57.136 9.795 6 HB3 MET 1 3HB MET 1 11.108 -56.312 10.635 7 HG2 MET 1 2HG MET 1 11.245 -58.178 12.233 8 HG3 MET 1 3HG MET 1 9.946 -59.001 11.366 9 HE1 MET 1 3HE MET 1 11.405 -61.198 11.012 10 HE2 MET 1 1HE MET 1 12.724 -60.463 11.931 11 HE3 MET 1 2HE MET 1 13.037 -61.177 10.349 12 H GLY 2 H GLY 2 10.077 -53.955 12.280 13 HA2 GLY 2 2HA GLY 2 7.898 -52.509 10.921 14 HA3 GLY 2 3HA GLY 2 8.939 -51.893 12.184 15 H HIS 3 H HIS 3 9.049 -52.984 8.771 16 HA HIS 3 HA HIS 3 10.906 -50.731 8.224 17 HB2 HIS 3 2HB HIS 3 12.088 -52.071 6.546 18 HB3 HIS 3 3HB HIS 3 12.161 -52.864 8.117 19 HD1 HIS 3 HD1 HIS 3 10.762 -53.241 4.667 20 HD2 HIS 3 HD2 HIS 3 10.814 -55.344 8.252 21 HE1 HIS 3 HE1 HIS 3 9.971 -55.553 4.112 22 HE2 HIS 3 HE2 HIS 3 10.197 -56.841 6.248 23 H HIS 4 H HIS 4 7.826 -51.580 7.829 24 HA HIS 4 HA HIS 4 7.556 -50.538 5.080 25 HB2 HIS 4 2HB HIS 4 6.184 -52.527 5.641 26 HB3 HIS 4 3HB HIS 4 5.469 -51.681 7.007 27 HD1 HIS 4 HD1 HIS 4 5.283 -51.968 3.273 28 HD2 HIS 4 HD2 HIS 4 3.390 -49.867 6.325 29 HE1 HIS 4 HE1 HIS 4 3.221 -50.977 2.241 30 HE2 HIS 4 HE2 HIS 4 2.244 -49.528 4.041 31 H HIS 5 H HIS 5 8.224 -48.430 5.484 32 HA HIS 5 HA HIS 5 6.311 -46.669 6.895 33 HB2 HIS 5 2HB HIS 5 9.355 -46.532 7.164 34 HB3 HIS 5 3HB HIS 5 8.258 -45.284 7.731 35 HD1 HIS 5 HD1 HIS 5 10.219 -47.792 9.103 36 HD2 HIS 5 HD2 HIS 5 6.229 -46.752 9.618 37 HE1 HIS 5 HE1 HIS 5 9.557 -48.737 11.332 38 HE2 HIS 5 HE2 HIS 5 7.111 -48.216 11.552 39 H HIS 6 H HIS 6 6.162 -44.569 5.983 40 HA HIS 6 HA HIS 6 7.970 -43.747 3.841 41 HB2 HIS 6 2HB HIS 6 6.277 -43.312 2.171 42 HB3 HIS 6 3HB HIS 6 6.067 -44.982 2.682 43 HD1 HIS 6 HD1 HIS 6 3.959 -45.429 4.302 44 HD2 HIS 6 HD2 HIS 6 4.042 -41.709 2.442 45 HE1 HIS 6 HE1 HIS 6 1.620 -44.526 4.476 46 HE2 HIS 6 HE2 HIS 6 1.759 -42.209 3.522 47 H HIS 7 H HIS 7 8.144 -41.553 3.683 48 HA HIS 7 HA HIS 7 6.594 -39.832 5.547 49 HB2 HIS 7 2HB HIS 7 9.066 -40.014 6.005 50 HB3 HIS 7 3HB HIS 7 9.408 -39.428 4.382 51 HD1 HIS 7 HD1 HIS 7 8.988 -36.882 3.937 52 HD2 HIS 7 HD2 HIS 7 8.440 -38.051 7.886 53 HE1 HIS 7 HE1 HIS 7 8.922 -34.759 5.265 54 HE2 HIS 7 HE2 HIS 7 8.768 -35.507 7.655 55 H HIS 8 H HIS 8 5.672 -37.925 4.656 56 HA HIS 8 HA HIS 8 5.176 -37.773 1.855 57 HB2 HIS 8 2HB HIS 8 4.675 -35.721 4.062 58 HB3 HIS 8 3HB HIS 8 4.277 -35.400 2.380 59 HD1 HIS 8 HD1 HIS 8 2.120 -36.307 1.498 60 HD2 HIS 8 HD2 HIS 8 3.046 -37.798 5.259 61 HE1 HIS 8 HE1 HIS 8 0.060 -37.516 2.268 62 HE2 HIS 8 HE2 HIS 8 0.704 -38.527 4.476 63 H SER 9 H SER 9 7.156 -37.782 0.817 64 HA SER 9 HA SER 9 9.091 -35.625 1.144 65 HB2 SER 9 2HB SER 9 8.957 -37.885 -0.905 66 HB3 SER 9 3HB SER 9 10.357 -36.859 -0.586 67 HG SER 9 HG SER 9 10.248 -39.014 0.480 68 H HIS 10 H HIS 10 7.104 -34.118 0.689 69 HA HIS 10 HA HIS 10 6.224 -34.040 -2.091 70 HB2 HIS 10 2HB HIS 10 4.535 -33.777 -0.292 71 HB3 HIS 10 3HB HIS 10 5.317 -32.289 0.233 72 HD1 HIS 10 HD1 HIS 10 4.557 -30.179 -0.894 73 HD2 HIS 10 HD2 HIS 10 3.438 -33.559 -3.036 74 HE1 HIS 10 HE1 HIS 10 3.158 -29.343 -2.798 75 HE2 HIS 10 HE2 HIS 10 2.641 -31.383 -4.164 76 H MET 11 H MET 11 7.471 -33.015 -3.503 77 HA MET 11 HA MET 11 8.912 -30.558 -2.883 78 HB2 MET 11 2HB MET 11 8.536 -32.079 -5.503 79 HB3 MET 11 3HB MET 11 9.496 -30.612 -5.345 80 HG2 MET 11 2HG MET 11 10.047 -33.258 -3.986 81 HG3 MET 11 3HG MET 11 10.943 -32.560 -5.332 82 HE1 MET 11 3HE MET 11 11.046 -29.413 -4.358 83 HE2 MET 11 1HE MET 11 12.404 -30.276 -5.095 84 HE3 MET 11 2HE MET 11 12.621 -29.428 -3.565 85 H ALA 12 H ALA 12 8.482 -28.575 -3.925 86 HA ALA 12 HA ALA 12 6.005 -27.988 -5.262 87 HB1 ALA 12 3HB ALA 12 6.331 -27.097 -2.358 88 HB2 ALA 12 1HB ALA 12 5.150 -28.266 -2.955 89 HB3 ALA 12 2HB ALA 12 5.045 -26.576 -3.449 90 H GLY 13 H GLY 13 5.749 -25.450 -5.226 91 HA2 GLY 13 2HA GLY 13 8.374 -24.067 -5.192 92 HA3 GLY 13 3HA GLY 13 7.317 -23.952 -6.592 93 HA PRO 14 HA PRO 14 5.012 -21.462 -3.250 94 HB2 PRO 14 2HB PRO 14 5.649 -21.546 -0.630 95 HB3 PRO 14 3HB PRO 14 4.805 -22.902 -1.401 96 HG2 PRO 14 2HG PRO 14 7.681 -22.681 -0.623 97 HG3 PRO 14 3HG PRO 14 6.604 -24.093 -0.569 98 HD2 PRO 14 2HD PRO 14 8.466 -23.508 -2.624 99 HD3 PRO 14 3HD PRO 14 7.164 -24.715 -2.706 100 H SER 15 H SER 15 5.276 -19.301 -3.253 101 HA SER 15 HA SER 15 7.836 -18.006 -3.005 102 HB2 SER 15 2HB SER 15 5.009 -16.963 -3.411 103 HB3 SER 15 3HB SER 15 6.404 -15.894 -3.232 104 HG SER 15 HG SER 15 7.379 -16.997 -4.982 105 H ASN 16 H ASN 16 8.434 -16.569 -1.420 106 HA ASN 16 HA ASN 16 7.500 -17.255 1.284 107 HB2 ASN 16 2HB ASN 16 9.983 -15.728 0.357 108 HB3 ASN 16 3HB ASN 16 9.674 -16.319 1.988 109 HD21 ASN 16 1HD2 ASN 16 10.247 -17.351 -1.355 110 HD22 ASN 16 2HD2 ASN 16 10.887 -18.903 -0.941 111 H VAL 17 H VAL 17 6.119 -15.322 -0.609 112 HA VAL 17 HA VAL 17 6.461 -12.667 0.373 113 HB VAL 17 HB VAL 17 3.965 -13.743 -1.046 114 HG11 VAL 17 1HG1 VAL 17 5.094 -10.918 -0.849 115 HG12 VAL 17 2HG1 VAL 17 3.684 -11.530 0.018 116 HG13 VAL 17 3HG1 VAL 17 3.644 -11.386 -1.739 117 HG21 VAL 17 3HG2 VAL 17 5.978 -14.259 -2.402 118 HG22 VAL 17 1HG2 VAL 17 6.454 -12.562 -2.346 119 HG23 VAL 17 2HG2 VAL 17 4.971 -13.036 -3.181 120 HA PRO 18 HA PRO 18 3.911 -13.284 4.131 121 HB2 PRO 18 2HB PRO 18 4.133 -10.298 4.332 122 HB3 PRO 18 3HB PRO 18 4.619 -11.537 5.506 123 HG2 PRO 18 2HG PRO 18 6.456 -10.150 4.145 124 HG3 PRO 18 3HG PRO 18 6.693 -11.877 4.513 125 HD2 PRO 18 2HD PRO 18 5.754 -10.626 1.915 126 HD3 PRO 18 3HD PRO 18 6.970 -11.908 2.180 127 H ALA 19 H ALA 19 1.734 -13.030 4.466 128 HA ALA 19 HA ALA 19 -0.077 -12.751 2.470 129 HB1 ALA 19 3HB ALA 19 -0.612 -12.212 5.418 130 HB2 ALA 19 1HB ALA 19 -0.568 -13.801 4.652 131 HB3 ALA 19 2HB ALA 19 -1.820 -12.640 4.202 132 H PHE 20 H PHE 20 0.955 -10.195 4.728 133 HA PHE 20 HA PHE 20 -0.715 -8.135 4.068 134 HB2 PHE 20 2HB PHE 20 0.911 -8.013 5.925 135 HB3 PHE 20 3HB PHE 20 2.252 -7.952 4.785 136 HD1 PHE 20 HD2 PHE 20 -0.762 -6.105 5.959 137 HD2 PHE 20 HD1 PHE 20 2.942 -5.845 3.847 138 HE1 PHE 20 HE2 PHE 20 -0.988 -3.661 5.849 139 HE2 PHE 20 HE1 PHE 20 2.709 -3.402 3.738 140 HZ PHE 20 HZ PHE 20 0.743 -2.310 4.738 141 H LEU 21 H LEU 21 2.228 -9.137 2.285 142 HA LEU 21 HA LEU 21 2.226 -6.725 0.631 143 HB2 LEU 21 2HB LEU 21 4.067 -9.157 0.628 144 HB3 LEU 21 3HB LEU 21 4.294 -7.734 -0.381 145 HG LEU 21 HG LEU 21 4.420 -7.753 2.666 146 HD11 LEU 21 1HD1 LEU 21 6.823 -7.391 2.394 147 HD12 LEU 21 2HD1 LEU 21 6.660 -7.490 0.638 148 HD13 LEU 21 3HD1 LEU 21 6.326 -8.904 1.639 149 HD21 LEU 21 3HD2 LEU 21 4.962 -5.476 0.726 150 HD22 LEU 21 1HD2 LEU 21 5.236 -5.434 2.469 151 HD23 LEU 21 2HD2 LEU 21 3.598 -5.599 1.839 152 H THR 22 H THR 22 1.471 -10.124 0.444 153 HA THR 22 HA THR 22 0.869 -10.463 -2.241 154 HB THR 22 HB THR 22 -0.478 -11.666 0.226 155 HG1 THR 22 HG1 THR 22 1.787 -12.412 -1.308 156 HG21 THR 22 3HG2 THR 22 -1.039 -13.573 -1.213 157 HG22 THR 22 1HG2 THR 22 -0.364 -12.740 -2.607 158 HG23 THR 22 2HG2 THR 22 -1.804 -12.098 -1.810 159 H LYS 23 H LYS 23 -1.271 -9.429 0.438 160 HA LYS 23 HA LYS 23 -3.575 -8.894 -1.160 161 HB2 LYS 23 2HB LYS 23 -2.875 -7.774 1.594 162 HB3 LYS 23 3HB LYS 23 -4.466 -7.737 0.860 163 HG2 LYS 23 2HG LYS 23 -3.033 -10.311 1.561 164 HG3 LYS 23 3HG LYS 23 -4.085 -9.458 2.683 165 HD2 LYS 23 2HD LYS 23 -5.455 -11.136 1.788 166 HD3 LYS 23 3HD LYS 23 -5.924 -9.701 0.881 167 HE2 LYS 23 2HE LYS 23 -4.522 -10.471 -1.009 168 HE3 LYS 23 3HE LYS 23 -4.066 -11.901 -0.083 169 HZ1 LYS 23 3HZ LYS 23 -6.318 -12.649 -0.102 170 HZ2 LYS 23 1HZ LYS 23 -5.881 -12.279 -1.693 171 HZ3 LYS 23 2HZ LYS 23 -6.861 -11.217 -0.814 172 H LEU 24 H LEU 24 -0.966 -6.877 0.152 173 HA LEU 24 HA LEU 24 -1.826 -4.338 -0.475 174 HB2 LEU 24 2HB LEU 24 0.126 -4.837 0.959 175 HB3 LEU 24 3HB LEU 24 1.033 -5.374 -0.444 176 HG LEU 24 HG LEU 24 0.936 -3.027 -1.359 177 HD11 LEU 24 1HD1 LEU 24 0.259 -1.173 0.095 178 HD12 LEU 24 2HD1 LEU 24 -0.317 -2.316 1.309 179 HD13 LEU 24 3HD1 LEU 24 -1.095 -2.238 -0.275 180 HD21 LEU 24 3HD2 LEU 24 2.182 -3.245 1.405 181 HD22 LEU 24 1HD2 LEU 24 2.617 -2.076 0.153 182 HD23 LEU 24 2HD2 LEU 24 2.910 -3.794 -0.106 183 H TRP 25 H TRP 25 0.365 -6.371 -2.523 184 HA TRP 25 HA TRP 25 0.479 -4.538 -4.666 185 HB2 TRP 25 2HB TRP 25 2.235 -6.150 -4.560 186 HB3 TRP 25 3HB TRP 25 1.115 -7.505 -4.499 187 HD1 TRP 25 HD1 TRP 25 1.586 -8.854 -6.632 188 HE1 TRP 25 HE1 TRP 25 1.679 -8.362 -9.146 189 HE3 TRP 25 HE3 TRP 25 1.252 -3.715 -6.536 190 HZ2 TRP 25 HZ2 TRP 25 1.612 -6.156 -10.870 191 HZ3 TRP 25 HZ3 TRP 25 1.264 -2.500 -8.677 192 HH2 TRP 25 HH2 TRP 25 1.442 -3.704 -10.799 193 H THR 26 H THR 26 -1.658 -7.418 -4.236 194 HA THR 26 HA THR 26 -3.037 -7.223 -6.694 195 HB THR 26 HB THR 26 -4.126 -8.295 -4.053 196 HG1 THR 26 HG1 THR 26 -2.289 -9.409 -4.456 197 HG21 THR 26 3HG2 THR 26 -4.890 -9.019 -6.914 198 HG22 THR 26 1HG2 THR 26 -5.892 -8.085 -5.797 199 HG23 THR 26 2HG2 THR 26 -5.530 -9.778 -5.455 200 H LEU 27 H LEU 27 -3.286 -5.389 -3.763 201 HA LEU 27 HA LEU 27 -5.817 -4.125 -4.258 202 HB2 LEU 27 2HB LEU 27 -5.053 -4.561 -1.995 203 HB3 LEU 27 3HB LEU 27 -3.562 -3.678 -2.266 204 HG LEU 27 HG LEU 27 -4.780 -1.553 -2.325 205 HD11 LEU 27 1HD1 LEU 27 -6.843 -2.426 -3.386 206 HD12 LEU 27 2HD1 LEU 27 -7.141 -1.390 -2.003 207 HD13 LEU 27 3HD1 LEU 27 -7.308 -3.134 -1.835 208 HD21 LEU 27 3HD2 LEU 27 -5.578 -3.223 0.094 209 HD22 LEU 27 1HD2 LEU 27 -5.513 -1.459 0.023 210 HD23 LEU 27 2HD2 LEU 27 -4.032 -2.402 -0.125 211 H VAL 28 H VAL 28 -2.373 -3.090 -4.454 212 HA VAL 28 HA VAL 28 -2.650 -0.437 -5.261 213 HB VAL 28 HB VAL 28 -0.463 -2.458 -5.976 214 HG11 VAL 28 1HG1 VAL 28 -0.362 0.565 -6.294 215 HG12 VAL 28 2HG1 VAL 28 -0.360 -0.624 -7.598 216 HG13 VAL 28 3HG1 VAL 28 1.009 -0.531 -6.491 217 HG21 VAL 28 3HG2 VAL 28 -0.692 -2.054 -3.560 218 HG22 VAL 28 1HG2 VAL 28 -0.523 -0.317 -3.816 219 HG23 VAL 28 2HG2 VAL 28 0.830 -1.400 -4.157 220 H SER 29 H SER 29 -2.713 -3.382 -7.138 221 HA SER 29 HA SER 29 -2.782 -2.054 -9.731 222 HB2 SER 29 2HB SER 29 -1.332 -3.990 -9.480 223 HB3 SER 29 3HB SER 29 -2.663 -4.973 -8.879 224 HG SER 29 HG SER 29 -3.500 -5.095 -10.889 225 H ASP 30 H ASP 30 -5.141 -2.796 -7.441 226 HA ASP 30 HA ASP 30 -7.120 -4.067 -9.104 227 HB2 ASP 30 2HB ASP 30 -7.074 -4.430 -6.672 228 HB3 ASP 30 3HB ASP 30 -7.377 -2.724 -6.383 229 HA PRO 31 HA PRO 31 -8.553 -0.168 -11.034 230 HB2 PRO 31 2HB PRO 31 -10.637 -1.249 -12.485 231 HB3 PRO 31 3HB PRO 31 -8.937 -1.401 -12.973 232 HG2 PRO 31 2HG PRO 31 -10.637 -3.396 -11.500 233 HG3 PRO 31 3HG PRO 31 -9.554 -3.654 -12.888 234 HD2 PRO 31 2HD PRO 31 -8.767 -4.242 -10.376 235 HD3 PRO 31 3HD PRO 31 -7.620 -3.581 -11.567 236 H ASP 32 H ASP 32 -10.463 -2.343 -9.036 237 HA ASP 32 HA ASP 32 -12.803 -0.690 -8.820 238 HB2 ASP 32 2HB ASP 32 -12.796 -3.175 -8.438 239 HB3 ASP 32 3HB ASP 32 -11.871 -2.931 -6.963 240 H THR 33 H THR 33 -9.777 -0.923 -7.047 241 HA THR 33 HA THR 33 -10.713 1.083 -5.062 242 HB THR 33 HB THR 33 -8.867 0.248 -3.574 243 HG1 THR 33 HG1 THR 33 -7.491 -0.762 -4.974 244 HG21 THR 33 3HG2 THR 33 -10.886 -1.885 -4.375 245 HG22 THR 33 1HG2 THR 33 -11.171 -0.586 -3.212 246 HG23 THR 33 2HG2 THR 33 -9.985 -1.846 -2.858 247 H ASP 34 H ASP 34 -9.327 1.113 -7.871 248 HA ASP 34 HA ASP 34 -6.724 2.077 -7.779 249 HB2 ASP 34 2HB ASP 34 -7.800 1.377 -9.865 250 HB3 ASP 34 3HB ASP 34 -8.973 2.679 -9.755 251 H ALA 35 H ALA 35 -9.766 3.800 -7.379 252 HA ALA 35 HA ALA 35 -8.781 6.448 -7.563 253 HB1 ALA 35 3HB ALA 35 -11.287 5.477 -6.165 254 HB2 ALA 35 1HB ALA 35 -11.151 5.866 -7.876 255 HB3 ALA 35 2HB ALA 35 -10.952 7.137 -6.668 256 H LEU 36 H LEU 36 -8.843 4.167 -4.867 257 HA LEU 36 HA LEU 36 -7.996 6.305 -2.994 258 HB2 LEU 36 2HB LEU 36 -9.178 3.563 -2.384 259 HB3 LEU 36 3HB LEU 36 -8.603 4.695 -1.171 260 HG LEU 36 HG LEU 36 -11.000 5.060 -3.007 261 HD11 LEU 36 1HD1 LEU 36 -10.853 4.834 0.016 262 HD12 LEU 36 2HD1 LEU 36 -11.406 3.581 -1.097 263 HD13 LEU 36 3HD1 LEU 36 -12.316 5.079 -0.945 264 HD21 LEU 36 3HD2 LEU 36 -9.879 7.221 -2.796 265 HD22 LEU 36 1HD2 LEU 36 -9.857 7.070 -1.037 266 HD23 LEU 36 2HD2 LEU 36 -11.392 7.232 -1.896 267 H ILE 37 H ILE 37 -6.810 3.642 -4.788 268 HA ILE 37 HA ILE 37 -4.155 4.191 -3.825 269 HB ILE 37 HB ILE 37 -4.811 2.530 -2.152 270 HG12 ILE 37 2HG1 ILE 37 -2.860 1.260 -4.134 271 HG13 ILE 37 3HG1 ILE 37 -2.442 2.513 -2.971 272 HG21 ILE 37 1HG2 ILE 37 -6.592 1.371 -3.404 273 HG22 ILE 37 2HG2 ILE 37 -5.456 0.230 -2.685 274 HG23 ILE 37 3HG2 ILE 37 -5.376 0.583 -4.412 275 HD11 ILE 37 3HD1 ILE 37 -3.016 0.972 -1.131 276 HD12 ILE 37 1HD1 ILE 37 -1.727 0.364 -2.169 277 HD13 ILE 37 2HD1 ILE 37 -3.354 -0.293 -2.318 278 H CYS 38 H CYS 38 -2.844 4.177 -5.593 279 HA CYS 38 HA CYS 38 -3.144 2.141 -7.667 280 HB2 CYS 38 2HB CYS 38 -3.127 3.867 -9.502 281 HB3 CYS 38 3HB CYS 38 -4.603 3.894 -8.540 282 HG CYS 38 HG CYS 38 -4.454 6.329 -7.754 283 H TRP 39 H TRP 39 -1.349 2.040 -9.087 284 HA TRP 39 HA TRP 39 1.226 2.432 -7.863 285 HB2 TRP 39 2HB TRP 39 2.005 1.537 -10.234 286 HB3 TRP 39 3HB TRP 39 1.138 0.454 -9.153 287 HD1 TRP 39 HD1 TRP 39 -1.149 -0.532 -9.987 288 HE1 TRP 39 HE1 TRP 39 -2.486 -0.376 -12.169 289 HE3 TRP 39 HE3 TRP 39 1.425 3.258 -12.287 290 HZ2 TRP 39 HZ2 TRP 39 -2.474 1.122 -14.546 291 HZ3 TRP 39 HZ3 TRP 39 0.696 3.995 -14.518 292 HH2 TRP 39 HH2 TRP 39 -1.219 2.946 -15.627 293 H SER 40 H SER 40 2.958 3.747 -8.629 294 HA SER 40 HA SER 40 2.304 6.259 -9.835 295 HB2 SER 40 2HB SER 40 4.805 6.650 -9.686 296 HB3 SER 40 3HB SER 40 4.083 6.158 -8.156 297 HG SER 40 HG SER 40 5.836 4.909 -8.323 298 HA PRO 41 HA PRO 41 2.997 5.242 -14.211 299 HB2 PRO 41 2HB PRO 41 4.155 7.579 -15.161 300 HB3 PRO 41 3HB PRO 41 2.426 7.423 -14.792 301 HG2 PRO 41 2HG PRO 41 4.599 8.593 -13.078 302 HG3 PRO 41 3HG PRO 41 2.970 9.226 -13.416 303 HD2 PRO 41 2HD PRO 41 3.493 7.926 -11.113 304 HD3 PRO 41 3HD PRO 41 1.931 7.733 -11.941 305 H SER 42 H SER 42 5.654 6.449 -12.264 306 HA SER 42 HA SER 42 7.820 5.424 -13.855 307 HB2 SER 42 2HB SER 42 9.164 5.919 -11.779 308 HB3 SER 42 3HB SER 42 8.176 7.291 -12.289 309 HG SER 42 HG SER 42 7.970 6.968 -10.057 310 H GLY 43 H GLY 43 5.664 4.188 -11.380 311 HA2 GLY 43 2HA GLY 43 5.130 2.039 -10.833 312 HA3 GLY 43 3HA GLY 43 6.385 1.458 -11.916 313 H ASN 44 H ASN 44 7.686 3.724 -9.817 314 HA ASN 44 HA ASN 44 9.213 1.656 -8.454 315 HB2 ASN 44 2HB ASN 44 9.511 4.700 -8.491 316 HB3 ASN 44 3HB ASN 44 10.651 3.581 -7.744 317 HD21 ASN 44 1HD2 ASN 44 10.811 5.524 -10.092 318 HD22 ASN 44 2HD2 ASN 44 11.496 4.576 -11.366 319 H SER 45 H SER 45 6.371 3.214 -7.758 320 HA SER 45 HA SER 45 6.432 2.663 -4.932 321 HB2 SER 45 2HB SER 45 5.921 5.047 -4.286 322 HB3 SER 45 3HB SER 45 7.548 4.861 -4.945 323 HG SER 45 HG SER 45 6.604 6.637 -5.921 324 H PHE 46 H PHE 46 4.217 3.563 -3.971 325 HA PHE 46 HA PHE 46 2.094 3.797 -6.002 326 HB2 PHE 46 2HB PHE 46 0.628 2.213 -4.883 327 HB3 PHE 46 3HB PHE 46 2.129 1.405 -5.298 328 HD1 PHE 46 HD2 PHE 46 3.851 0.990 -3.436 329 HD2 PHE 46 HD1 PHE 46 -0.162 2.225 -2.614 330 HE1 PHE 46 HE2 PHE 46 4.061 0.166 -1.127 331 HE2 PHE 46 HE1 PHE 46 0.063 1.396 -0.308 332 HZ PHE 46 HZ PHE 46 2.171 0.365 0.435 333 H HIS 47 H HIS 47 0.255 4.917 -5.287 334 HA HIS 47 HA HIS 47 0.700 6.676 -2.952 335 HB2 HIS 47 2HB HIS 47 -0.772 7.259 -5.563 336 HB3 HIS 47 3HB HIS 47 -0.708 8.355 -4.187 337 HD1 HIS 47 HD1 HIS 47 0.792 10.195 -4.772 338 HD2 HIS 47 HD2 HIS 47 2.260 6.596 -6.201 339 HE1 HIS 47 HE1 HIS 47 2.989 10.744 -5.829 340 HE2 HIS 47 HE2 HIS 47 3.916 8.538 -6.567 341 H VAL 48 H VAL 48 -1.027 7.076 -1.610 342 HA VAL 48 HA VAL 48 -3.440 5.395 -1.881 343 HB VAL 48 HB VAL 48 -1.920 5.972 0.722 344 HG11 VAL 48 1HG1 VAL 48 -4.352 5.873 1.070 345 HG12 VAL 48 2HG1 VAL 48 -3.564 4.464 1.780 346 HG13 VAL 48 3HG1 VAL 48 -4.424 4.312 0.246 347 HG21 VAL 48 3HG2 VAL 48 -1.427 3.550 0.774 348 HG22 VAL 48 1HG2 VAL 48 -0.743 4.304 -0.669 349 HG23 VAL 48 2HG2 VAL 48 -2.220 3.345 -0.790 350 H PHE 49 H PHE 49 -5.192 6.579 -1.894 351 HA PHE 49 HA PHE 49 -5.176 9.419 -1.097 352 HB2 PHE 49 2HB PHE 49 -7.123 7.885 -2.882 353 HB3 PHE 49 3HB PHE 49 -7.193 9.610 -2.539 354 HD1 PHE 49 HD2 PHE 49 -5.546 11.144 -3.502 355 HD2 PHE 49 HD1 PHE 49 -5.476 6.986 -4.469 356 HE1 PHE 49 HE2 PHE 49 -4.088 11.622 -5.395 357 HE2 PHE 49 HE1 PHE 49 -3.994 7.469 -6.387 358 HZ PHE 49 HZ PHE 49 -3.304 9.791 -6.845 359 H ASP 50 H ASP 50 -6.714 10.226 0.269 360 HA ASP 50 HA ASP 50 -8.072 10.324 2.067 361 HB2 ASP 50 2HB ASP 50 -9.653 8.297 0.409 362 HB3 ASP 50 3HB ASP 50 -10.306 9.155 1.798 363 H GLN 51 H GLN 51 -6.249 9.213 3.261 364 HA GLN 51 HA GLN 51 -5.971 6.532 3.770 365 HB2 GLN 51 2HB GLN 51 -5.293 8.954 5.459 366 HB3 GLN 51 3HB GLN 51 -4.940 7.329 6.040 367 HG2 GLN 51 2HG GLN 51 -3.900 8.411 3.398 368 HG3 GLN 51 3HG GLN 51 -3.015 8.514 4.915 369 HE21 GLN 51 1HE2 GLN 51 -1.300 7.256 4.179 370 HE22 GLN 51 2HE2 GLN 51 -1.423 5.557 3.891 371 H GLY 52 H GLY 52 -8.251 8.718 5.367 372 HA2 GLY 52 2HA GLY 52 -9.173 6.958 7.408 373 HA3 GLY 52 3HA GLY 52 -10.018 8.360 6.774 374 H GLN 53 H GLN 53 -10.478 7.724 4.125 375 HA GLN 53 HA GLN 53 -12.779 6.029 4.353 376 HB2 GLN 53 2HB GLN 53 -12.634 8.024 2.840 377 HB3 GLN 53 3HB GLN 53 -11.454 7.169 1.855 378 HG2 GLN 53 2HG GLN 53 -13.623 7.087 0.775 379 HG3 GLN 53 3HG GLN 53 -13.188 5.459 1.305 380 HE21 GLN 53 1HE2 GLN 53 -15.334 4.767 1.367 381 HE22 GLN 53 2HE2 GLN 53 -16.476 5.313 2.527 382 H PHE 54 H PHE 54 -9.724 5.756 2.620 383 HA PHE 54 HA PHE 54 -9.770 3.246 1.522 384 HB2 PHE 54 2HB PHE 54 -7.954 4.808 1.075 385 HB3 PHE 54 3HB PHE 54 -7.502 4.867 2.770 386 HD1 PHE 54 HD2 PHE 54 -7.339 2.849 -0.331 387 HD2 PHE 54 HD1 PHE 54 -6.050 3.169 3.739 388 HE1 PHE 54 HE2 PHE 54 -5.640 1.111 -0.712 389 HE2 PHE 54 HE1 PHE 54 -4.360 1.439 3.335 390 HZ PHE 54 HZ PHE 54 -4.153 0.405 1.112 391 H ALA 55 H ALA 55 -8.631 4.126 4.812 392 HA ALA 55 HA ALA 55 -8.051 1.508 5.642 393 HB1 ALA 55 3HB ALA 55 -8.857 3.851 7.399 394 HB2 ALA 55 1HB ALA 55 -7.221 3.501 6.836 395 HB3 ALA 55 2HB ALA 55 -8.030 2.384 7.935 396 H LYS 56 H LYS 56 -11.028 3.310 5.647 397 HA LYS 56 HA LYS 56 -12.525 1.739 7.467 398 HB2 LYS 56 2HB LYS 56 -13.164 3.994 7.189 399 HB3 LYS 56 3HB LYS 56 -13.185 3.888 5.441 400 HG2 LYS 56 2HG LYS 56 -15.158 2.138 6.793 401 HG3 LYS 56 3HG LYS 56 -15.412 3.859 7.059 402 HD2 LYS 56 2HD LYS 56 -15.557 4.269 4.660 403 HD3 LYS 56 3HD LYS 56 -15.094 2.600 4.302 404 HE2 LYS 56 2HE LYS 56 -17.515 2.946 4.013 405 HE3 LYS 56 3HE LYS 56 -17.203 1.804 5.321 406 HZ1 LYS 56 3HZ LYS 56 -17.830 4.691 5.683 407 HZ2 LYS 56 1HZ LYS 56 -17.600 3.557 6.919 408 HZ3 LYS 56 2HZ LYS 56 -18.929 3.425 5.888 409 H GLU 57 H GLU 57 -12.626 1.819 3.852 410 HA GLU 57 HA GLU 57 -14.368 -0.589 3.937 411 HB2 GLU 57 2HB GLU 57 -15.091 0.028 1.666 412 HB3 GLU 57 3HB GLU 57 -15.387 1.319 2.820 413 HG2 GLU 57 2HG GLU 57 -13.656 2.672 1.946 414 HG3 GLU 57 3HG GLU 57 -12.921 1.332 1.074 415 H VAL 58 H VAL 58 -11.288 0.499 2.670 416 HA VAL 58 HA VAL 58 -11.113 -1.572 0.611 417 HB VAL 58 HB VAL 58 -9.174 0.625 1.492 418 HG11 VAL 58 1HG1 VAL 58 -7.972 0.168 -0.619 419 HG12 VAL 58 2HG1 VAL 58 -9.003 -1.238 -0.889 420 HG13 VAL 58 3HG1 VAL 58 -7.915 -1.195 0.499 421 HG21 VAL 58 3HG2 VAL 58 -11.024 0.471 -0.926 422 HG22 VAL 58 1HG2 VAL 58 -9.869 1.769 -0.598 423 HG23 VAL 58 2HG2 VAL 58 -11.238 1.511 0.480 424 H LEU 59 H LEU 59 -9.498 -0.797 3.732 425 HA LEU 59 HA LEU 59 -7.669 -2.953 3.668 426 HB2 LEU 59 2HB LEU 59 -8.755 -1.475 6.086 427 HB3 LEU 59 3HB LEU 59 -7.478 -2.677 6.170 428 HG LEU 59 HG LEU 59 -7.352 0.041 4.820 429 HD11 LEU 59 1HD1 LEU 59 -7.076 0.081 7.246 430 HD12 LEU 59 2HD1 LEU 59 -5.562 0.479 6.440 431 HD13 LEU 59 3HD1 LEU 59 -5.787 -1.123 7.146 432 HD21 LEU 59 3HD2 LEU 59 -6.193 -1.527 3.360 433 HD22 LEU 59 1HD2 LEU 59 -5.265 -2.167 4.722 434 HD23 LEU 59 2HD2 LEU 59 -5.028 -0.501 4.189 435 HA PRO 60 HA PRO 60 -10.873 -5.688 6.141 436 HB2 PRO 60 2HB PRO 60 -13.550 -5.010 6.048 437 HB3 PRO 60 3HB PRO 60 -12.460 -4.475 7.341 438 HG2 PRO 60 2HG PRO 60 -13.356 -2.975 4.901 439 HG3 PRO 60 3HG PRO 60 -13.234 -2.404 6.587 440 HD2 PRO 60 2HD PRO 60 -11.334 -1.826 4.756 441 HD3 PRO 60 3HD PRO 60 -10.927 -2.109 6.462 442 H LYS 61 H LYS 61 -11.435 -4.224 3.029 443 HA LYS 61 HA LYS 61 -12.835 -6.380 1.786 444 HB2 LYS 61 2HB LYS 61 -12.744 -4.104 0.793 445 HB3 LYS 61 3HB LYS 61 -11.009 -4.277 0.542 446 HG2 LYS 61 2HG LYS 61 -11.454 -6.175 -1.021 447 HG3 LYS 61 3HG LYS 61 -13.187 -5.906 -0.818 448 HD2 LYS 61 2HD LYS 61 -12.966 -3.646 -1.818 449 HD3 LYS 61 3HD LYS 61 -11.218 -3.867 -1.952 450 HE2 LYS 61 2HE LYS 61 -11.652 -5.829 -3.474 451 HE3 LYS 61 3HE LYS 61 -13.369 -5.424 -3.434 452 HZ1 LYS 61 3HZ LYS 61 -11.193 -3.665 -4.464 453 HZ2 LYS 61 1HZ LYS 61 -12.841 -3.273 -4.426 454 HZ3 LYS 61 2HZ LYS 61 -12.291 -4.538 -5.400 455 H TYR 62 H TYR 62 -9.359 -5.457 1.740 456 HA TYR 62 HA TYR 62 -8.641 -8.071 0.581 457 HB2 TYR 62 2HB TYR 62 -7.102 -5.489 1.001 458 HB3 TYR 62 3HB TYR 62 -6.228 -6.991 0.690 459 HD1 TYR 62 HD2 TYR 62 -8.913 -4.795 -0.694 460 HD2 TYR 62 HD1 TYR 62 -6.021 -7.831 -1.509 461 HE1 TYR 62 HE2 TYR 62 -9.422 -4.617 -3.077 462 HE2 TYR 62 HE1 TYR 62 -6.533 -7.671 -3.902 463 HH TYR 62 HH TYR 62 -8.373 -5.149 -5.225 464 H PHE 63 H PHE 63 -7.758 -6.192 3.428 465 HA PHE 63 HA PHE 63 -6.423 -8.468 4.709 466 HB2 PHE 63 2HB PHE 63 -6.825 -5.587 5.704 467 HB3 PHE 63 3HB PHE 63 -5.729 -6.786 6.381 468 HD1 PHE 63 HD2 PHE 63 -3.623 -7.389 5.208 469 HD2 PHE 63 HD1 PHE 63 -6.236 -4.379 3.647 470 HE1 PHE 63 HE2 PHE 63 -1.850 -6.609 3.697 471 HE2 PHE 63 HE1 PHE 63 -4.447 -3.612 2.137 472 HZ PHE 63 HZ PHE 63 -2.251 -4.728 2.166 473 H LYS 64 H LYS 64 -7.088 -8.163 7.383 474 HA LYS 64 HA LYS 64 -10.034 -8.482 7.495 475 HB2 LYS 64 2HB LYS 64 -9.635 -10.297 9.214 476 HB3 LYS 64 3HB LYS 64 -9.140 -10.714 7.579 477 HG2 LYS 64 2HG LYS 64 -6.783 -10.266 8.168 478 HG3 LYS 64 3HG LYS 64 -7.266 -9.856 9.814 479 HD2 LYS 64 2HD LYS 64 -7.710 -12.573 8.511 480 HD3 LYS 64 3HD LYS 64 -6.357 -12.185 9.572 481 HE2 LYS 64 2HE LYS 64 -9.282 -12.074 10.384 482 HE3 LYS 64 3HE LYS 64 -8.176 -13.396 10.747 483 HZ1 LYS 64 3HZ LYS 64 -7.952 -10.596 11.715 484 HZ2 LYS 64 1HZ LYS 64 -6.788 -11.803 11.975 485 HZ3 LYS 64 2HZ LYS 64 -8.336 -11.960 12.629 486 H HIS 65 H HIS 65 -8.920 -6.088 7.888 487 HA HIS 65 HA HIS 65 -9.765 -5.377 10.525 488 HB2 HIS 65 2HB HIS 65 -7.719 -4.308 11.346 489 HB3 HIS 65 3HB HIS 65 -7.335 -5.989 10.990 490 HD1 HIS 65 HD1 HIS 65 -6.268 -2.546 10.228 491 HD2 HIS 65 HD2 HIS 65 -5.808 -6.296 8.495 492 HE1 HIS 65 HE1 HIS 65 -4.336 -2.330 8.644 493 HE2 HIS 65 HE2 HIS 65 -3.969 -4.649 7.753 494 H ASN 66 H ASN 66 -9.701 -2.922 10.731 495 HA ASN 66 HA ASN 66 -9.618 -1.563 8.087 496 HB2 ASN 66 2HB ASN 66 -11.560 -0.274 8.517 497 HB3 ASN 66 3HB ASN 66 -12.011 -1.905 8.990 498 HD21 ASN 66 1HD2 ASN 66 -12.244 -2.366 11.225 499 HD22 ASN 66 2HD2 ASN 66 -12.476 -1.110 12.388 500 H ASN 67 H ASN 67 -8.331 -1.768 11.147 501 HA ASN 67 HA ASN 67 -7.923 0.885 11.995 502 HB2 ASN 67 2HB ASN 67 -7.608 -1.183 13.380 503 HB3 ASN 67 3HB ASN 67 -6.134 -1.529 12.492 504 HD21 ASN 67 1HD2 ASN 67 -6.618 -1.006 15.371 505 HD22 ASN 67 2HD2 ASN 67 -5.541 0.279 15.792 506 H MET 68 H MET 68 -6.918 2.441 10.947 507 HA MET 68 HA MET 68 -5.243 2.267 8.729 508 HB2 MET 68 2HB MET 68 -6.598 4.246 9.286 509 HB3 MET 68 3HB MET 68 -5.644 4.533 10.730 510 HG2 MET 68 2HG MET 68 -4.825 6.121 9.232 511 HG3 MET 68 3HG MET 68 -3.643 4.828 9.070 512 HE1 MET 68 3HE MET 68 -4.203 3.580 5.434 513 HE2 MET 68 1HE MET 68 -4.629 2.723 6.916 514 HE3 MET 68 2HE MET 68 -3.112 3.623 6.818 515 H ALA 69 H ALA 69 -4.452 2.986 12.134 516 HA ALA 69 HA ALA 69 -1.710 3.424 11.907 517 HB1 ALA 69 3HB ALA 69 -1.611 3.038 14.341 518 HB2 ALA 69 1HB ALA 69 -3.229 2.321 14.304 519 HB3 ALA 69 2HB ALA 69 -3.005 4.026 13.909 520 H SER 70 H SER 70 -3.499 0.395 12.303 521 HA SER 70 HA SER 70 -1.335 -1.357 12.769 522 HB2 SER 70 2HB SER 70 -3.690 -1.961 13.198 523 HB3 SER 70 3HB SER 70 -4.034 -1.935 11.470 524 HG SER 70 HG SER 70 -2.737 -3.841 13.019 525 H PHE 71 H PHE 71 -2.896 -0.280 9.762 526 HA PHE 71 HA PHE 71 -1.540 -1.980 7.940 527 HB2 PHE 71 2HB PHE 71 -3.633 -0.864 7.341 528 HB3 PHE 71 3HB PHE 71 -2.908 0.720 7.559 529 HD1 PHE 71 HD1 PHE 71 -2.424 -2.404 5.500 530 HD2 PHE 71 HD2 PHE 71 -2.223 1.867 5.614 531 HE1 PHE 71 HE1 PHE 71 -1.915 -2.353 3.090 532 HE2 PHE 71 HE2 PHE 71 -1.710 1.904 3.208 533 HZ PHE 71 HZ PHE 71 -1.561 -0.203 1.946 534 H VAL 72 H VAL 72 -1.015 1.434 8.846 535 HA VAL 72 HA VAL 72 1.325 1.903 7.359 536 HB VAL 72 HB VAL 72 0.406 3.279 9.931 537 HG11 VAL 72 1HG1 VAL 72 2.763 3.789 9.440 538 HG12 VAL 72 2HG1 VAL 72 1.752 5.208 9.173 539 HG13 VAL 72 3HG1 VAL 72 2.335 4.271 7.795 540 HG21 VAL 72 3HG2 VAL 72 -0.171 4.007 7.027 541 HG22 VAL 72 1HG2 VAL 72 -0.659 4.950 8.440 542 HG23 VAL 72 2HG2 VAL 72 -1.330 3.340 8.177 543 H ARG 73 H ARG 73 0.878 0.647 10.684 544 HA ARG 73 HA ARG 73 3.545 0.678 11.565 545 HB2 ARG 73 2HB ARG 73 1.695 0.208 13.120 546 HB3 ARG 73 3HB ARG 73 1.330 -1.299 12.287 547 HG2 ARG 73 2HG ARG 73 3.498 -2.247 13.006 548 HG3 ARG 73 3HG ARG 73 3.920 -0.721 13.787 549 HD2 ARG 73 2HD ARG 73 1.612 -2.539 14.567 550 HD3 ARG 73 3HD ARG 73 3.148 -2.392 15.423 551 HE ARG 73 HE ARG 73 1.966 0.150 15.237 552 HH11 ARG 73 1HH1 ARG 73 1.395 -2.897 16.935 553 HH12 ARG 73 2HH1 ARG 73 0.590 -2.141 18.272 554 HH21 ARG 73 1HH2 ARG 73 0.897 1.116 16.985 555 HH22 ARG 73 2HH2 ARG 73 0.308 0.145 18.298 556 H GLN 74 H GLN 74 1.735 -1.791 9.727 557 HA GLN 74 HA GLN 74 3.700 -3.809 9.599 558 HB2 GLN 74 2HB GLN 74 1.567 -3.086 7.545 559 HB3 GLN 74 3HB GLN 74 2.496 -4.577 7.530 560 HG2 GLN 74 2HG GLN 74 0.542 -3.736 9.682 561 HG3 GLN 74 3HG GLN 74 0.225 -4.897 8.398 562 HE21 GLN 74 1HE2 GLN 74 1.734 -4.371 11.470 563 HE22 GLN 74 2HE2 GLN 74 2.208 -6.010 11.749 564 H LEU 75 H LEU 75 2.945 -1.106 7.376 565 HA LEU 75 HA LEU 75 4.770 -1.615 5.348 566 HB2 LEU 75 2HB LEU 75 3.561 0.993 6.339 567 HB3 LEU 75 3HB LEU 75 4.502 0.887 4.859 568 HG LEU 75 HG LEU 75 2.040 -0.846 5.259 569 HD11 LEU 75 1HD1 LEU 75 1.324 1.455 5.608 570 HD12 LEU 75 2HD1 LEU 75 0.699 0.810 4.095 571 HD13 LEU 75 3HD1 LEU 75 2.060 1.936 4.076 572 HD21 LEU 75 3HD2 LEU 75 3.436 0.139 2.746 573 HD22 LEU 75 1HD2 LEU 75 1.998 -0.883 2.801 574 HD23 LEU 75 2HD2 LEU 75 3.531 -1.491 3.422 575 H ASN 76 H ASN 76 5.191 0.518 8.226 576 HA ASN 76 HA ASN 76 7.825 1.351 7.645 577 HB2 ASN 76 2HB ASN 76 6.414 1.200 10.344 578 HB3 ASN 76 3HB ASN 76 7.999 1.926 10.120 579 HD21 ASN 76 1HD2 ASN 76 4.627 2.412 9.830 580 HD22 ASN 76 2HD2 ASN 76 4.694 4.027 9.221 581 H MET 77 H MET 77 6.659 -1.578 9.259 582 HA MET 77 HA MET 77 9.219 -2.517 10.130 583 HB2 MET 77 2HB MET 77 6.735 -4.162 9.454 584 HB3 MET 77 3HB MET 77 8.163 -4.773 10.277 585 HG2 MET 77 2HG MET 77 7.700 -3.049 12.088 586 HG3 MET 77 3HG MET 77 6.136 -2.799 11.315 587 HE1 MET 77 3HE MET 77 4.676 -6.537 11.617 588 HE2 MET 77 1HE MET 77 5.718 -5.999 10.301 589 HE3 MET 77 2HE MET 77 4.409 -4.961 10.874 590 H TYR 78 H TYR 78 7.367 -2.813 7.112 591 HA TYR 78 HA TYR 78 9.277 -4.654 5.887 592 HB2 TYR 78 2HB TYR 78 6.739 -3.332 4.827 593 HB3 TYR 78 3HB TYR 78 7.771 -4.348 3.834 594 HD1 TYR 78 HD1 TYR 78 8.165 -6.808 4.655 595 HD2 TYR 78 HD2 TYR 78 4.988 -4.339 6.086 596 HE1 TYR 78 HE1 TYR 78 6.921 -8.805 5.372 597 HE2 TYR 78 HE2 TYR 78 3.757 -6.336 6.813 598 HH TYR 78 HH TYR 78 3.645 -8.716 6.277 599 H GLY 79 H GLY 79 9.246 -1.366 6.437 600 HA2 GLY 79 2HA GLY 79 11.036 0.034 5.960 601 HA3 GLY 79 3HA GLY 79 11.511 -1.010 4.636 602 H PHE 80 H PHE 80 8.191 0.096 4.728 603 HA PHE 80 HA PHE 80 8.574 1.660 2.299 604 HB2 PHE 80 2HB PHE 80 6.080 0.987 3.937 605 HB3 PHE 80 3HB PHE 80 6.052 1.997 2.494 606 HD1 PHE 80 HD1 PHE 80 6.720 -1.452 3.729 607 HD2 PHE 80 HD2 PHE 80 6.104 1.027 0.295 608 HE1 PHE 80 HE1 PHE 80 6.474 -3.455 2.318 609 HE2 PHE 80 HE2 PHE 80 5.860 -0.983 -1.096 610 HZ PHE 80 HZ PHE 80 6.045 -3.220 -0.089 611 H ARG 81 H ARG 81 8.570 3.862 2.196 612 HA ARG 81 HA ARG 81 8.561 5.373 4.726 613 HB2 ARG 81 2HB ARG 81 10.605 5.569 3.367 614 HB3 ARG 81 3HB ARG 81 9.666 6.099 1.980 615 HG2 ARG 81 2HG ARG 81 9.016 8.164 3.245 616 HG3 ARG 81 3HG ARG 81 10.026 7.626 4.586 617 HD2 ARG 81 2HD ARG 81 10.978 8.337 1.789 618 HD3 ARG 81 3HD ARG 81 11.193 9.309 3.248 619 HE ARG 81 HE ARG 81 12.332 6.804 3.727 620 HH11 ARG 81 1HH1 ARG 81 12.953 9.566 1.631 621 HH12 ARG 81 2HH1 ARG 81 14.657 9.262 1.542 622 HH21 ARG 81 1HH2 ARG 81 14.572 6.422 3.581 623 HH22 ARG 81 2HH2 ARG 81 15.570 7.486 2.643 624 H LYS 82 H LYS 82 6.853 6.655 5.170 625 HA LYS 82 HA LYS 82 4.688 7.255 3.373 626 HB2 LYS 82 2HB LYS 82 4.650 7.134 5.975 627 HB3 LYS 82 3HB LYS 82 5.407 8.711 5.978 628 HG2 LYS 82 2HG LYS 82 2.644 8.061 4.894 629 HG3 LYS 82 3HG LYS 82 2.994 8.845 6.428 630 HD2 LYS 82 2HD LYS 82 4.128 10.696 4.994 631 HD3 LYS 82 3HD LYS 82 3.299 9.956 3.626 632 HE2 LYS 82 2HE LYS 82 1.989 11.144 6.093 633 HE3 LYS 82 3HE LYS 82 2.048 11.856 4.490 634 HZ1 LYS 82 3HZ LYS 82 0.596 10.197 3.656 635 HZ2 LYS 82 1HZ LYS 82 -0.092 10.813 5.070 636 HZ3 LYS 82 2HZ LYS 82 0.671 9.304 5.089 637 H VAL 83 H VAL 83 4.982 8.660 1.683 638 HA VAL 83 HA VAL 83 6.728 11.041 1.998 639 HB VAL 83 HB VAL 83 5.972 9.586 -0.592 640 HG11 VAL 83 1HG1 VAL 83 7.569 11.099 -1.721 641 HG12 VAL 83 2HG1 VAL 83 7.821 11.967 -0.205 642 HG13 VAL 83 3HG1 VAL 83 6.237 11.993 -0.983 643 HG21 VAL 83 3HG2 VAL 83 7.571 8.264 0.706 644 HG22 VAL 83 1HG2 VAL 83 8.639 9.662 0.866 645 HG23 VAL 83 2HG2 VAL 83 8.363 8.936 -0.720 646 H VAL 84 H VAL 84 5.683 12.943 1.949 647 HA VAL 84 HA VAL 84 2.776 13.022 1.600 648 HB VAL 84 HB VAL 84 4.656 15.270 2.491 649 HG11 VAL 84 1HG1 VAL 84 2.637 16.323 3.439 650 HG12 VAL 84 2HG1 VAL 84 1.643 15.000 2.826 651 HG13 VAL 84 3HG1 VAL 84 2.469 16.079 1.699 652 HG21 VAL 84 3HG2 VAL 84 4.851 13.361 4.045 653 HG22 VAL 84 1HG2 VAL 84 3.102 13.372 4.285 654 HG23 VAL 84 2HG2 VAL 84 4.074 14.746 4.816 655 H HIS 85 H HIS 85 1.854 13.836 -0.257 656 HA HIS 85 HA HIS 85 3.352 15.860 -1.843 657 HB2 HIS 85 2HB HIS 85 1.444 13.769 -2.983 658 HB3 HIS 85 3HB HIS 85 2.226 15.046 -3.905 659 HD1 HIS 85 HD1 HIS 85 4.495 14.527 -4.870 660 HD2 HIS 85 HD2 HIS 85 3.339 11.738 -2.008 661 HE1 HIS 85 HE1 HIS 85 6.212 12.692 -4.966 662 HE2 HIS 85 HE2 HIS 85 5.544 11.080 -3.173 663 H ILE 86 H ILE 86 0.085 14.568 -1.057 664 HA ILE 86 HA ILE 86 -0.946 17.327 -0.964 665 HB ILE 86 HB ILE 86 -2.429 14.674 -0.668 666 HG12 ILE 86 2HG1 ILE 86 -1.846 15.104 -2.995 667 HG13 ILE 86 3HG1 ILE 86 -3.568 15.400 -2.806 668 HG21 ILE 86 1HG2 ILE 86 -4.522 16.018 -0.609 669 HG22 ILE 86 2HG2 ILE 86 -3.564 17.497 -0.512 670 HG23 ILE 86 3HG2 ILE 86 -3.498 16.312 0.797 671 HD11 ILE 86 3HD1 ILE 86 -1.386 17.470 -3.024 672 HD12 ILE 86 1HD1 ILE 86 -3.093 17.833 -2.740 673 HD13 ILE 86 2HD1 ILE 86 -2.592 17.053 -4.239 674 H GLU 87 H GLU 87 -1.398 18.320 0.880 675 HA GLU 87 HA GLU 87 -0.332 17.190 3.392 676 HB2 GLU 87 2HB GLU 87 -0.608 20.122 2.568 677 HB3 GLU 87 3HB GLU 87 0.337 19.482 3.914 678 HG2 GLU 87 2HG GLU 87 1.969 18.524 2.430 679 HG3 GLU 87 3HG GLU 87 0.948 18.805 1.021 680 H GLN 88 H GLN 88 -1.513 17.613 5.336 681 HA GLN 88 HA GLN 88 -4.159 18.926 5.095 682 HB2 GLN 88 2HB GLN 88 -3.607 16.441 6.785 683 HB3 GLN 88 3HB GLN 88 -5.103 17.363 6.782 684 HG2 GLN 88 2HG GLN 88 -5.254 16.811 4.281 685 HG3 GLN 88 3HG GLN 88 -3.985 15.620 4.593 686 HE21 GLN 88 1HE2 GLN 88 -5.308 13.830 4.171 687 HE22 GLN 88 2HE2 GLN 88 -6.642 13.389 5.171 688 H GLY 89 H GLY 89 -3.350 20.852 5.878 689 HA2 GLY 89 2HA GLY 89 -2.979 20.997 8.805 690 HA3 GLY 89 3HA GLY 89 -1.760 21.728 7.763 691 H GLY 90 H GLY 90 -5.078 21.729 6.737 692 HA2 GLY 90 2HA GLY 90 -6.703 23.374 6.696 693 HA3 GLY 90 3HA GLY 90 -5.722 24.372 7.759 694 H LEU 91 H LEU 91 -4.292 23.059 4.904 695 HA LEU 91 HA LEU 91 -3.692 25.687 3.808 696 HB2 LEU 91 2HB LEU 91 -2.965 22.880 2.838 697 HB3 LEU 91 3HB LEU 91 -2.268 24.378 2.241 698 HG LEU 91 HG LEU 91 -1.945 23.316 5.073 699 HD11 LEU 91 1HD1 LEU 91 0.025 23.312 2.767 700 HD12 LEU 91 2HD1 LEU 91 -0.776 21.907 3.476 701 HD13 LEU 91 3HD1 LEU 91 0.376 22.835 4.433 702 HD21 LEU 91 3HD2 LEU 91 -0.659 25.719 3.734 703 HD22 LEU 91 1HD2 LEU 91 -0.234 25.082 5.326 704 HD23 LEU 91 2HD2 LEU 91 -1.840 25.747 5.047 705 H VAL 92 H VAL 92 -3.735 25.710 1.232 706 HA VAL 92 HA VAL 92 -6.382 24.933 0.255 707 HB VAL 92 HB VAL 92 -5.658 27.168 -0.393 708 HG11 VAL 92 1HG1 VAL 92 -3.272 25.942 -1.804 709 HG12 VAL 92 2HG1 VAL 92 -3.224 26.912 -0.332 710 HG13 VAL 92 3HG1 VAL 92 -3.743 27.644 -1.851 711 HG21 VAL 92 3HG2 VAL 92 -6.060 27.081 -2.821 712 HG22 VAL 92 1HG2 VAL 92 -7.096 25.921 -1.980 713 HG23 VAL 92 2HG2 VAL 92 -5.663 25.361 -2.843 714 H LYS 93 H LYS 93 -5.873 22.754 0.683 715 HA LYS 93 HA LYS 93 -4.797 21.297 -1.655 716 HB2 LYS 93 2HB LYS 93 -4.324 20.726 1.310 717 HB3 LYS 93 3HB LYS 93 -4.228 19.438 0.120 718 HG2 LYS 93 2HG LYS 93 -2.475 21.919 0.157 719 HG3 LYS 93 3HG LYS 93 -2.011 20.312 0.722 720 HD2 LYS 93 2HD LYS 93 -2.455 19.443 -1.609 721 HD3 LYS 93 3HD LYS 93 -2.712 21.110 -2.125 722 HE2 LYS 93 2HE LYS 93 -0.134 19.959 -1.005 723 HE3 LYS 93 3HE LYS 93 -0.460 20.351 -2.694 724 HZ1 LYS 93 3HZ LYS 93 -0.300 22.270 -0.440 725 HZ2 LYS 93 1HZ LYS 93 -0.721 22.681 -2.025 726 HZ3 LYS 93 2HZ LYS 93 0.821 22.085 -1.692 727 HA PRO 94 HA PRO 94 -8.758 18.992 -1.117 728 HB2 PRO 94 2HB PRO 94 -7.977 16.395 -1.715 729 HB3 PRO 94 3HB PRO 94 -8.341 17.622 -2.944 730 HG2 PRO 94 2HG PRO 94 -5.687 16.738 -1.899 731 HG3 PRO 94 3HG PRO 94 -6.175 17.091 -3.572 732 HD2 PRO 94 2HD PRO 94 -4.767 18.882 -2.098 733 HD3 PRO 94 3HD PRO 94 -5.985 19.408 -3.283 734 H GLU 95 H GLU 95 -9.690 17.456 0.348 735 HA GLU 95 HA GLU 95 -8.520 17.690 2.974 736 HB2 GLU 95 2HB GLU 95 -10.698 16.793 3.788 737 HB3 GLU 95 3HB GLU 95 -10.888 18.174 2.713 738 HG2 GLU 95 2HG GLU 95 -11.411 16.585 0.840 739 HG3 GLU 95 3HG GLU 95 -11.330 15.261 1.997 740 H ARG 96 H ARG 96 -8.218 15.403 0.610 741 HA ARG 96 HA ARG 96 -7.947 13.007 2.222 742 HB2 ARG 96 2HB ARG 96 -7.235 11.941 0.146 743 HB3 ARG 96 3HB ARG 96 -8.610 12.970 -0.234 744 HG2 ARG 96 2HG ARG 96 -7.087 14.702 -1.110 745 HG3 ARG 96 3HG ARG 96 -5.704 13.684 -0.709 746 HD2 ARG 96 2HD ARG 96 -6.540 11.964 -2.273 747 HD3 ARG 96 3HD ARG 96 -7.881 13.025 -2.709 748 HE ARG 96 HE ARG 96 -5.110 13.945 -3.093 749 HH11 ARG 96 1HH1 ARG 96 -8.182 12.974 -4.530 750 HH12 ARG 96 2HH1 ARG 96 -7.760 13.575 -6.102 751 HH21 ARG 96 1HH2 ARG 96 -4.571 14.688 -5.155 752 HH22 ARG 96 2HH2 ARG 96 -5.711 14.544 -6.453 753 H ASP 97 H ASP 97 -5.883 11.860 2.402 754 HA ASP 97 HA ASP 97 -3.386 13.392 2.111 755 HB2 ASP 97 2HB ASP 97 -4.003 10.545 3.025 756 HB3 ASP 97 3HB ASP 97 -2.356 11.042 2.656 757 H ASP 98 H ASP 98 -1.980 13.085 0.383 758 HA ASP 98 HA ASP 98 -2.402 10.718 -1.362 759 HB2 ASP 98 2HB ASP 98 -2.344 12.793 -2.715 760 HB3 ASP 98 3HB ASP 98 -0.819 13.266 -1.969 761 H THR 99 H THR 99 -1.228 9.149 -0.528 762 HA THR 99 HA THR 99 1.233 9.777 0.979 763 HB THR 99 HB THR 99 -0.734 7.478 1.477 764 HG1 THR 99 HG1 THR 99 -1.669 9.465 2.059 765 HG21 THR 99 3HG2 THR 99 1.637 8.509 3.067 766 HG22 THR 99 1HG2 THR 99 1.584 6.990 2.165 767 HG23 THR 99 2HG2 THR 99 0.541 7.223 3.570 768 H GLU 100 H GLU 100 2.921 9.166 -0.197 769 HA GLU 100 HA GLU 100 2.724 6.937 -2.123 770 HB2 GLU 100 2HB GLU 100 3.476 9.075 -3.082 771 HB3 GLU 100 3HB GLU 100 4.742 9.218 -1.861 772 HG2 GLU 100 2HG GLU 100 5.821 7.160 -2.792 773 HG3 GLU 100 3HG GLU 100 4.572 7.102 -4.036 774 H PHE 101 H PHE 101 3.299 5.057 -1.109 775 HA PHE 101 HA PHE 101 5.468 5.072 0.874 776 HB2 PHE 101 2HB PHE 101 3.551 2.859 0.029 777 HB3 PHE 101 3HB PHE 101 4.827 2.660 1.222 778 HD1 PHE 101 HD1 PHE 101 4.746 4.413 3.239 779 HD2 PHE 101 HD2 PHE 101 1.377 3.353 0.812 780 HE1 PHE 101 HE1 PHE 101 3.212 5.139 5.034 781 HE2 PHE 101 HE2 PHE 101 -0.139 4.070 2.616 782 HZ PHE 101 HZ PHE 101 0.777 4.951 4.726 783 H GLN 102 H GLN 102 7.461 4.614 0.260 784 HA GLN 102 HA GLN 102 7.980 3.387 -2.386 785 HB2 GLN 102 2HB GLN 102 9.966 4.852 -2.570 786 HB3 GLN 102 3HB GLN 102 8.493 5.802 -2.425 787 HG2 GLN 102 2HG GLN 102 8.996 6.265 -0.059 788 HG3 GLN 102 3HG GLN 102 10.430 5.246 -0.159 789 HE21 GLN 102 1HE2 GLN 102 11.823 6.895 0.428 790 HE22 GLN 102 2HE2 GLN 102 12.187 8.233 -0.606 791 H HIS 103 H HIS 103 9.486 1.800 -2.466 792 HA HIS 103 HA HIS 103 11.309 1.233 -0.260 793 HB2 HIS 103 2HB HIS 103 9.156 0.087 0.366 794 HB3 HIS 103 3HB HIS 103 9.209 -0.803 -1.151 795 HD1 HIS 103 HD1 HIS 103 10.599 -2.938 -1.176 796 HD2 HIS 103 HD2 HIS 103 11.230 -0.619 2.208 797 HE1 HIS 103 HE1 HIS 103 12.088 -4.296 0.324 798 HE2 HIS 103 HE2 HIS 103 12.268 -2.961 2.433 799 HA PRO 104 HA PRO 104 13.855 0.418 -3.842 800 HB2 PRO 104 2HB PRO 104 15.802 -1.257 -2.741 801 HB3 PRO 104 3HB PRO 104 15.762 0.504 -2.522 802 HG2 PRO 104 2HG PRO 104 14.725 -1.628 -0.676 803 HG3 PRO 104 3HG PRO 104 15.702 -0.190 -0.290 804 HD2 PRO 104 2HD PRO 104 13.067 -0.172 0.145 805 HD3 PRO 104 3HD PRO 104 13.863 1.278 -0.514 806 H CYS 105 H CYS 105 12.995 -2.452 -1.889 807 HA CYS 105 HA CYS 105 13.225 -4.223 -4.224 808 HB2 CYS 105 2HB CYS 105 12.614 -4.974 -1.336 809 HB3 CYS 105 3HB CYS 105 13.059 -6.070 -2.640 810 HG CYS 105 HG CYS 105 15.662 -5.098 -2.890 811 H PHE 106 H PHE 106 10.950 -2.159 -3.506 812 HA PHE 106 HA PHE 106 8.769 -3.966 -4.370 813 HB2 PHE 106 2HB PHE 106 8.312 -3.049 -2.066 814 HB3 PHE 106 3HB PHE 106 8.417 -1.418 -2.713 815 HD1 PHE 106 HD2 PHE 106 6.632 -0.657 -4.420 816 HD2 PHE 106 HD1 PHE 106 6.274 -4.303 -2.212 817 HE1 PHE 106 HE2 PHE 106 4.226 -0.727 -4.921 818 HE2 PHE 106 HE1 PHE 106 3.862 -4.358 -2.716 819 HZ PHE 106 HZ PHE 106 2.837 -2.572 -4.067 820 H LEU 107 H LEU 107 8.946 -3.625 -6.514 821 HA LEU 107 HA LEU 107 8.281 -0.914 -7.507 822 HB2 LEU 107 2HB LEU 107 9.633 -3.113 -9.110 823 HB3 LEU 107 3HB LEU 107 9.344 -1.467 -9.633 824 HG LEU 107 HG LEU 107 11.297 -2.272 -7.431 825 HD11 LEU 107 1HD1 LEU 107 13.084 -1.737 -9.033 826 HD12 LEU 107 2HD1 LEU 107 11.881 -1.476 -10.300 827 HD13 LEU 107 3HD1 LEU 107 12.086 -3.081 -9.588 828 HD21 LEU 107 3HD2 LEU 107 10.874 0.435 -8.739 829 HD22 LEU 107 1HD2 LEU 107 12.134 0.031 -7.568 830 HD23 LEU 107 2HD2 LEU 107 10.439 -0.006 -7.084 831 H ARG 108 H ARG 108 7.016 -1.310 -9.746 832 HA ARG 108 HA ARG 108 4.511 -2.306 -8.921 833 HB2 ARG 108 2HB ARG 108 4.729 -0.414 -10.493 834 HB3 ARG 108 3HB ARG 108 5.467 -1.468 -11.693 835 HG2 ARG 108 2HG ARG 108 3.358 -2.756 -11.839 836 HG3 ARG 108 3HG ARG 108 2.612 -1.657 -10.682 837 HD2 ARG 108 2HD ARG 108 2.732 0.177 -12.245 838 HD3 ARG 108 3HD ARG 108 3.740 -0.768 -13.357 839 HE ARG 108 HE ARG 108 1.313 -2.144 -12.881 840 HH11 ARG 108 1HH1 ARG 108 2.452 0.692 -14.660 841 HH12 ARG 108 2HH1 ARG 108 1.177 0.586 -15.829 842 HH21 ARG 108 1HH2 ARG 108 -0.325 -2.222 -14.405 843 HH22 ARG 108 2HH2 ARG 108 -0.388 -1.055 -15.684 844 H GLY 109 H GLY 109 6.375 -3.418 -11.803 845 HA2 GLY 109 2HA GLY 109 4.999 -5.994 -11.810 846 HA3 GLY 109 3HA GLY 109 6.093 -5.372 -13.034 847 H GLN 110 H GLN 110 6.743 -5.618 -9.547 848 HA GLN 110 HA GLN 110 8.824 -7.659 -10.049 849 HB2 GLN 110 2HB GLN 110 9.084 -5.099 -8.409 850 HB3 GLN 110 3HB GLN 110 10.217 -6.437 -8.285 851 HG2 GLN 110 2HG GLN 110 9.666 -4.842 -10.800 852 HG3 GLN 110 3HG GLN 110 11.052 -4.616 -9.731 853 HE21 GLN 110 1HE2 GLN 110 12.732 -6.152 -9.779 854 HE22 GLN 110 2HE2 GLN 110 12.865 -7.330 -11.034 855 H GLU 111 H GLU 111 6.395 -8.439 -9.359 856 HA GLU 111 HA GLU 111 5.754 -8.714 -6.655 857 HB2 GLU 111 2HB GLU 111 4.436 -10.692 -7.320 858 HB3 GLU 111 3HB GLU 111 4.201 -9.358 -8.443 859 HG2 GLU 111 2HG GLU 111 5.651 -10.406 -10.096 860 HG3 GLU 111 3HG GLU 111 6.083 -11.684 -8.960 861 H GLN 112 H GLN 112 8.109 -10.462 -8.604 862 HA GLN 112 HA GLN 112 8.688 -12.594 -6.872 863 HB2 GLN 112 2HB GLN 112 10.774 -12.894 -8.090 864 HB3 GLN 112 3HB GLN 112 9.475 -12.559 -9.218 865 HG2 GLN 112 2HG GLN 112 11.241 -10.284 -8.336 866 HG3 GLN 112 3HG GLN 112 11.870 -11.454 -9.488 867 HE21 GLN 112 1HE2 GLN 112 12.052 -9.906 -11.108 868 HE22 GLN 112 2HE2 GLN 112 10.680 -9.234 -11.916 869 H LEU 113 H LEU 113 9.508 -9.238 -6.641 870 HA LEU 113 HA LEU 113 11.689 -9.650 -4.736 871 HB2 LEU 113 2HB LEU 113 10.512 -7.100 -5.895 872 HB3 LEU 113 3HB LEU 113 11.849 -7.137 -4.757 873 HG LEU 113 HG LEU 113 11.869 -8.228 -7.600 874 HD11 LEU 113 1HD1 LEU 113 13.531 -6.477 -8.025 875 HD12 LEU 113 2HD1 LEU 113 13.371 -5.897 -6.365 876 HD13 LEU 113 3HD1 LEU 113 12.004 -5.788 -7.476 877 HD21 LEU 113 3HD2 LEU 113 14.106 -8.303 -5.545 878 HD22 LEU 113 1HD2 LEU 113 14.246 -8.765 -7.245 879 HD23 LEU 113 2HD2 LEU 113 13.213 -9.696 -6.163 880 H LEU 114 H LEU 114 8.283 -9.372 -4.552 881 HA LEU 114 HA LEU 114 7.893 -7.975 -2.128 882 HB2 LEU 114 2HB LEU 114 6.304 -10.345 -3.191 883 HB3 LEU 114 3HB LEU 114 5.785 -9.302 -1.879 884 HG LEU 114 HG LEU 114 6.117 -8.480 -4.787 885 HD11 LEU 114 1HD1 LEU 114 3.679 -8.259 -4.793 886 HD12 LEU 114 2HD1 LEU 114 3.600 -8.827 -3.122 887 HD13 LEU 114 3HD1 LEU 114 4.160 -9.910 -4.400 888 HD21 LEU 114 3HD2 LEU 114 5.191 -6.819 -2.424 889 HD22 LEU 114 1HD2 LEU 114 5.160 -6.320 -4.118 890 HD23 LEU 114 2HD2 LEU 114 6.700 -6.620 -3.320 891 H GLU 115 H GLU 115 8.730 -11.325 -2.787 892 HA GLU 115 HA GLU 115 8.679 -12.174 -0.027 893 HB2 GLU 115 2HB GLU 115 9.556 -14.314 -0.909 894 HB3 GLU 115 3HB GLU 115 8.097 -13.774 -1.722 895 HG2 GLU 115 2HG GLU 115 9.533 -12.923 -3.603 896 HG3 GLU 115 3HG GLU 115 10.924 -13.662 -2.802 897 H ASN 116 H ASN 116 10.921 -10.507 -1.934 898 HA ASN 116 HA ASN 116 13.275 -11.287 -0.380 899 HB2 ASN 116 2HB ASN 116 12.887 -9.293 -2.664 900 HB3 ASN 116 3HB ASN 116 14.410 -9.484 -1.803 901 HD21 ASN 116 1HD2 ASN 116 12.077 -11.178 -3.829 902 HD22 ASN 116 2HD2 ASN 116 13.196 -12.320 -4.469 903 H ILE 117 H ILE 117 10.635 -9.223 -0.082 904 HA ILE 117 HA ILE 117 11.942 -7.189 1.550 905 HB ILE 117 HB ILE 117 8.950 -7.638 1.062 906 HG12 ILE 117 2HG1 ILE 117 10.773 -5.632 -0.331 907 HG13 ILE 117 3HG1 ILE 117 10.142 -7.106 -1.049 908 HG21 ILE 117 1HG2 ILE 117 8.602 -5.347 1.899 909 HG22 ILE 117 2HG2 ILE 117 10.330 -5.181 2.211 910 HG23 ILE 117 3HG2 ILE 117 9.379 -6.351 3.127 911 HD11 ILE 117 3HD1 ILE 117 7.860 -6.244 -0.815 912 HD12 ILE 117 1HD1 ILE 117 8.883 -5.201 -1.803 913 HD13 ILE 117 2HD1 ILE 117 8.504 -4.741 -0.143 914 H LYS 118 H LYS 118 11.974 -7.208 3.739 915 HA LYS 118 HA LYS 118 10.561 -9.359 5.211 916 HB2 LYS 118 2HB LYS 118 13.315 -8.224 5.880 917 HB3 LYS 118 3HB LYS 118 12.475 -9.500 6.755 918 HG2 LYS 118 2HG LYS 118 13.483 -9.669 3.913 919 HG3 LYS 118 3HG LYS 118 14.232 -10.417 5.328 920 HD2 LYS 118 2HD LYS 118 12.301 -11.883 5.639 921 HD3 LYS 118 3HD LYS 118 11.409 -11.047 4.363 922 HE2 LYS 118 2HE LYS 118 13.942 -12.634 3.975 923 HE3 LYS 118 3HE LYS 118 12.314 -13.177 3.588 924 HZ1 LYS 118 3HZ LYS 118 13.383 -12.419 1.621 925 HZ2 LYS 118 1HZ LYS 118 13.779 -10.937 2.335 926 HZ3 LYS 118 2HZ LYS 118 12.160 -11.318 2.018 927 H ARG 119 H ARG 119 9.794 -8.841 7.215 928 HA ARG 119 HA ARG 119 9.331 -6.009 7.818 929 HB2 ARG 119 2HB ARG 119 7.827 -6.829 9.609 930 HB3 ARG 119 3HB ARG 119 7.422 -7.556 8.058 931 HG2 ARG 119 2HG ARG 119 8.601 -9.624 8.723 932 HG3 ARG 119 3HG ARG 119 8.985 -8.898 10.280 933 HD2 ARG 119 2HD ARG 119 7.133 -10.297 10.676 934 HD3 ARG 119 3HD ARG 119 6.462 -8.669 10.625 935 HE ARG 119 HE ARG 119 6.039 -9.420 8.110 936 HH11 ARG 119 1HH1 ARG 119 5.451 -11.215 11.097 937 HH12 ARG 119 2HH1 ARG 119 4.134 -12.124 10.424 938 HH21 ARG 119 1HH2 ARG 119 4.331 -10.665 7.256 939 HH22 ARG 119 2HH2 ARG 119 3.507 -11.814 8.261 940 H LYS 120 H LYS 120 10.984 -8.838 9.109 941 HA LYS 120 HA LYS 120 12.994 -7.338 10.555 942 HB2 LYS 120 2HB LYS 120 10.983 -9.131 12.027 943 HB3 LYS 120 3HB LYS 120 12.552 -8.709 12.709 944 HG2 LYS 120 2HG LYS 120 11.947 -6.347 12.759 945 HG3 LYS 120 3HG LYS 120 10.427 -6.691 11.934 946 HD2 LYS 120 2HD LYS 120 9.672 -8.022 13.897 947 HD3 LYS 120 3HD LYS 120 11.186 -7.640 14.725 948 HE2 LYS 120 2HE LYS 120 10.613 -5.226 14.630 949 HE3 LYS 120 3HE LYS 120 9.091 -5.627 13.830 950 HZ1 LYS 120 3HZ LYS 120 8.446 -6.891 15.794 951 HZ2 LYS 120 1HZ LYS 120 8.753 -5.274 16.169 952 HZ3 LYS 120 2HZ LYS 120 9.886 -6.460 16.571 953 H VAL 121 H VAL 121 14.318 -9.325 11.841 954 HA VAL 121 HA VAL 121 15.096 -11.303 9.934 955 HB VAL 121 HB VAL 121 16.638 -10.566 11.764 956 HG11 VAL 121 1HG1 VAL 121 14.828 -12.115 13.640 957 HG12 VAL 121 2HG1 VAL 121 15.050 -10.366 13.610 958 HG13 VAL 121 3HG1 VAL 121 16.394 -11.415 14.065 959 HG21 VAL 121 3HG2 VAL 121 17.603 -12.781 12.305 960 HG22 VAL 121 1HG2 VAL 121 17.091 -12.699 10.617 961 HG23 VAL 121 2HG2 VAL 121 16.106 -13.563 11.796 962 H THR 122 H THR 122 12.796 -11.217 12.572 963 HA THR 122 HA THR 122 11.754 -13.877 11.995 964 HB THR 122 HB THR 122 10.590 -11.820 13.927 965 HG1 THR 122 HG1 THR 122 12.071 -12.351 15.380 966 HG21 THR 122 3HG2 THR 122 9.769 -13.848 15.092 967 HG22 THR 122 1HG2 THR 122 10.518 -14.860 13.860 968 HG23 THR 122 2HG2 THR 122 9.183 -13.787 13.427 969 H SER 123 H SER 123 10.695 -13.857 10.038 970 HA SER 123 HA SER 123 8.435 -11.977 9.646 971 HB2 SER 123 2HB SER 123 10.391 -12.883 7.479 972 HB3 SER 123 3HB SER 123 8.954 -11.895 7.216 973 HG SER 123 HG SER 123 11.287 -11.227 8.678 974 H VAL 124 H VAL 124 6.900 -13.460 10.280 975 HA VAL 124 HA VAL 124 6.810 -16.178 9.331 976 HB VAL 124 HB VAL 124 4.603 -14.557 10.705 977 HG11 VAL 124 1HG1 VAL 124 3.596 -16.757 11.261 978 HG12 VAL 124 2HG1 VAL 124 4.850 -17.571 10.324 979 HG13 VAL 124 3HG1 VAL 124 3.690 -16.516 9.514 980 HG21 VAL 124 3HG2 VAL 124 5.330 -15.691 12.785 981 HG22 VAL 124 1HG2 VAL 124 6.623 -14.705 12.097 982 HG23 VAL 124 2HG2 VAL 124 6.653 -16.457 11.902 983 H SER 125 H SER 125 6.706 -16.266 7.142 984 HA SER 125 HA SER 125 4.568 -14.862 5.680 985 HB2 SER 125 2HB SER 125 6.961 -16.450 4.626 986 HB3 SER 125 3HB SER 125 5.859 -15.457 3.668 987 HG SER 125 HG SER 125 7.321 -13.978 4.038 Start of MODEL 6 1 H1 MET 1 1H MET 1 33.368 -50.827 7.050 2 H2 MET 1 2H MET 1 34.790 -50.051 6.571 3 H3 MET 1 3H MET 1 34.231 -51.390 5.710 4 HA MET 1 HA MET 1 33.802 -49.356 4.536 5 HB2 MET 1 2HB MET 1 31.271 -50.690 5.605 6 HB3 MET 1 3HB MET 1 31.359 -49.695 4.152 7 HG2 MET 1 2HG MET 1 31.357 -51.999 3.473 8 HG3 MET 1 3HG MET 1 32.964 -51.350 3.176 9 HE1 MET 1 3HE MET 1 30.796 -53.853 5.269 10 HE2 MET 1 1HE MET 1 31.251 -52.677 6.506 11 HE3 MET 1 2HE MET 1 31.903 -54.315 6.561 12 H GLY 2 H GLY 2 34.222 -47.348 5.226 13 HA2 GLY 2 2HA GLY 2 32.317 -45.987 7.047 14 HA3 GLY 2 3HA GLY 2 34.054 -45.856 7.298 15 H HIS 3 H HIS 3 31.365 -44.901 5.342 16 HA HIS 3 HA HIS 3 33.057 -42.947 3.871 17 HB2 HIS 3 2HB HIS 3 30.542 -44.392 2.919 18 HB3 HIS 3 3HB HIS 3 31.296 -43.054 2.061 19 HD1 HIS 3 HD1 HIS 3 33.545 -43.528 0.829 20 HD2 HIS 3 HD2 HIS 3 31.840 -46.877 2.613 21 HE1 HIS 3 HE1 HIS 3 34.767 -45.503 -0.124 22 HE2 HIS 3 HE2 HIS 3 33.645 -47.515 0.881 23 H HIS 4 H HIS 4 32.580 -40.894 4.216 24 HA HIS 4 HA HIS 4 29.876 -40.070 5.108 25 HB2 HIS 4 2HB HIS 4 32.566 -39.067 6.146 26 HB3 HIS 4 3HB HIS 4 31.072 -38.160 6.356 27 HD1 HIS 4 HD1 HIS 4 29.858 -38.615 8.471 28 HD2 HIS 4 HD2 HIS 4 32.323 -41.793 7.419 29 HE1 HIS 4 HE1 HIS 4 29.691 -40.254 10.364 30 HE2 HIS 4 HE2 HIS 4 31.299 -42.089 9.770 31 H HIS 5 H HIS 5 28.985 -38.530 3.876 32 HA HIS 5 HA HIS 5 30.612 -36.884 2.044 33 HB2 HIS 5 2HB HIS 5 28.230 -38.598 1.181 34 HB3 HIS 5 3HB HIS 5 29.092 -37.451 0.155 35 HD1 HIS 5 HD1 HIS 5 28.978 -40.963 0.973 36 HD2 HIS 5 HD2 HIS 5 31.958 -38.302 -0.193 37 HE1 HIS 5 HE1 HIS 5 30.857 -42.388 0.097 38 HE2 HIS 5 HE2 HIS 5 32.683 -40.761 -0.478 39 H HIS 6 H HIS 6 30.020 -34.838 2.502 40 HA HIS 6 HA HIS 6 27.477 -34.114 3.599 41 HB2 HIS 6 2HB HIS 6 28.267 -31.740 3.275 42 HB3 HIS 6 3HB HIS 6 29.349 -32.739 4.223 43 HD1 HIS 6 HD1 HIS 6 31.740 -32.956 3.425 44 HD2 HIS 6 HD2 HIS 6 29.304 -31.013 0.679 45 HE1 HIS 6 HE1 HIS 6 33.294 -31.971 1.715 46 HE2 HIS 6 HE2 HIS 6 31.779 -31.013 -0.044 47 H HIS 7 H HIS 7 25.655 -34.180 2.474 48 HA HIS 7 HA HIS 7 25.538 -33.032 -0.265 49 HB2 HIS 7 2HB HIS 7 24.128 -35.531 0.767 50 HB3 HIS 7 3HB HIS 7 23.638 -34.699 -0.703 51 HD1 HIS 7 HD1 HIS 7 25.232 -37.632 0.066 52 HD2 HIS 7 HD2 HIS 7 26.366 -34.440 -2.352 53 HE1 HIS 7 HE1 HIS 7 26.886 -38.579 -1.569 54 HE2 HIS 7 HE2 HIS 7 27.373 -36.683 -3.148 55 H HIS 8 H HIS 8 23.761 -31.753 -0.697 56 HA HIS 8 HA HIS 8 21.646 -31.474 1.331 57 HB2 HIS 8 2HB HIS 8 23.356 -29.673 1.756 58 HB3 HIS 8 3HB HIS 8 23.106 -29.077 0.116 59 HD1 HIS 8 HD1 HIS 8 21.493 -29.227 3.497 60 HD2 HIS 8 HD2 HIS 8 20.703 -27.607 -0.251 61 HE1 HIS 8 HE1 HIS 8 19.549 -27.677 3.826 62 HE2 HIS 8 HE2 HIS 8 19.047 -26.762 1.543 63 H SER 9 H SER 9 20.144 -32.440 0.036 64 HA SER 9 HA SER 9 19.740 -31.774 -2.736 65 HB2 SER 9 2HB SER 9 17.632 -33.216 -2.383 66 HB3 SER 9 3HB SER 9 19.175 -34.008 -2.061 67 HG SER 9 HG SER 9 17.149 -33.267 -0.306 68 H HIS 10 H HIS 10 19.180 -29.688 -3.112 69 HA HIS 10 HA HIS 10 17.557 -28.044 -1.445 70 HB2 HIS 10 2HB HIS 10 19.270 -27.093 -2.952 71 HB3 HIS 10 3HB HIS 10 18.393 -27.673 -4.366 72 HD1 HIS 10 HD1 HIS 10 18.551 -24.892 -1.925 73 HD2 HIS 10 HD2 HIS 10 16.004 -26.149 -4.959 74 HE1 HIS 10 HE1 HIS 10 17.046 -22.945 -2.392 75 HE2 HIS 10 HE2 HIS 10 15.374 -23.819 -4.045 76 H MET 11 H MET 11 15.498 -28.678 -1.071 77 HA MET 11 HA MET 11 13.735 -29.776 -3.082 78 HB2 MET 11 2HB MET 11 13.540 -30.510 -0.736 79 HB3 MET 11 3HB MET 11 13.201 -28.866 -0.214 80 HG2 MET 11 2HG MET 11 11.090 -28.902 -1.491 81 HG3 MET 11 3HG MET 11 11.426 -30.555 -2.001 82 HE1 MET 11 3HE MET 11 11.092 -32.527 1.402 83 HE2 MET 11 1HE MET 11 12.587 -31.929 0.680 84 HE3 MET 11 2HE MET 11 11.350 -32.676 -0.336 85 H ALA 12 H ALA 12 12.744 -28.561 -4.555 86 HA ALA 12 HA ALA 12 12.531 -25.722 -4.505 87 HB1 ALA 12 3HB ALA 12 11.144 -27.744 -6.314 88 HB2 ALA 12 1HB ALA 12 12.708 -26.982 -6.613 89 HB3 ALA 12 2HB ALA 12 11.241 -26.005 -6.600 90 H GLY 13 H GLY 13 11.332 -24.851 -2.894 91 HA2 GLY 13 2HA GLY 13 8.814 -26.131 -2.028 92 HA3 GLY 13 3HA GLY 13 9.769 -24.973 -1.126 93 HA PRO 14 HA PRO 14 6.441 -22.351 -2.827 94 HB2 PRO 14 2HB PRO 14 5.830 -21.024 -0.604 95 HB3 PRO 14 3HB PRO 14 5.598 -22.784 -0.659 96 HG2 PRO 14 2HG PRO 14 7.769 -21.214 0.675 97 HG3 PRO 14 3HG PRO 14 6.944 -22.689 1.225 98 HD2 PRO 14 2HD PRO 14 9.442 -22.557 -0.156 99 HD3 PRO 14 3HD PRO 14 8.501 -24.022 0.205 100 H SER 15 H SER 15 5.980 -20.007 -3.002 101 HA SER 15 HA SER 15 8.284 -18.221 -3.140 102 HB2 SER 15 2HB SER 15 6.461 -18.103 -4.854 103 HB3 SER 15 3HB SER 15 5.308 -17.667 -3.592 104 HG SER 15 HG SER 15 7.658 -16.131 -3.980 105 H ASN 16 H ASN 16 8.744 -16.688 -1.598 106 HA ASN 16 HA ASN 16 7.587 -17.270 1.037 107 HB2 ASN 16 2HB ASN 16 10.119 -15.731 0.316 108 HB3 ASN 16 3HB ASN 16 9.660 -16.296 1.922 109 HD21 ASN 16 1HD2 ASN 16 10.982 -17.196 -1.137 110 HD22 ASN 16 2HD2 ASN 16 11.408 -18.814 -0.718 111 H VAL 17 H VAL 17 6.440 -15.337 -1.059 112 HA VAL 17 HA VAL 17 6.430 -12.715 0.074 113 HB VAL 17 HB VAL 17 4.467 -14.048 -1.850 114 HG11 VAL 17 1HG1 VAL 17 3.440 -12.080 -0.831 115 HG12 VAL 17 2HG1 VAL 17 3.813 -11.756 -2.523 116 HG13 VAL 17 3HG1 VAL 17 4.842 -11.096 -1.251 117 HG21 VAL 17 3HG2 VAL 17 5.732 -12.963 -3.655 118 HG22 VAL 17 1HG2 VAL 17 6.772 -14.039 -2.718 119 HG23 VAL 17 2HG2 VAL 17 6.864 -12.293 -2.477 120 HA PRO 18 HA PRO 18 3.594 -14.032 3.427 121 HB2 PRO 18 2HB PRO 18 3.473 -11.671 4.812 122 HB3 PRO 18 3HB PRO 18 4.907 -12.713 4.853 123 HG2 PRO 18 2HG PRO 18 4.423 -10.265 3.201 124 HG3 PRO 18 3HG PRO 18 5.868 -10.726 4.126 125 HD2 PRO 18 2HD PRO 18 5.704 -11.107 1.437 126 HD3 PRO 18 3HD PRO 18 6.618 -12.206 2.495 127 H ALA 19 H ALA 19 1.450 -13.489 4.201 128 HA ALA 19 HA ALA 19 -0.459 -13.150 2.285 129 HB1 ALA 19 3HB ALA 19 -2.084 -12.902 4.106 130 HB2 ALA 19 1HB ALA 19 -0.777 -12.521 5.233 131 HB3 ALA 19 2HB ALA 19 -0.876 -14.124 4.509 132 H PHE 20 H PHE 20 0.620 -10.605 4.591 133 HA PHE 20 HA PHE 20 -1.012 -8.519 3.858 134 HB2 PHE 20 2HB PHE 20 0.482 -8.353 5.795 135 HB3 PHE 20 3HB PHE 20 1.907 -8.368 4.761 136 HD1 PHE 20 HD2 PHE 20 -1.117 -6.357 5.655 137 HD2 PHE 20 HD1 PHE 20 2.759 -6.302 3.857 138 HE1 PHE 20 HE2 PHE 20 -1.233 -3.907 5.470 139 HE2 PHE 20 HE1 PHE 20 2.633 -3.856 3.669 140 HZ PHE 20 HZ PHE 20 0.638 -2.655 4.469 141 H LEU 21 H LEU 21 2.063 -9.442 2.269 142 HA LEU 21 HA LEU 21 2.062 -7.056 0.618 143 HB2 LEU 21 2HB LEU 21 3.959 -9.431 0.755 144 HB3 LEU 21 3HB LEU 21 4.166 -8.108 -0.378 145 HG LEU 21 HG LEU 21 4.241 -7.838 2.659 146 HD11 LEU 21 1HD1 LEU 21 6.525 -7.677 0.661 147 HD12 LEU 21 2HD1 LEU 21 6.222 -9.000 1.789 148 HD13 LEU 21 3HD1 LEU 21 6.638 -7.403 2.404 149 HD21 LEU 21 3HD2 LEU 21 4.983 -5.518 2.260 150 HD22 LEU 21 1HD2 LEU 21 3.361 -5.797 1.627 151 HD23 LEU 21 2HD2 LEU 21 4.736 -5.729 0.525 152 H THR 22 H THR 22 1.363 -10.531 0.204 153 HA THR 22 HA THR 22 0.993 -10.376 -2.624 154 HB THR 22 HB THR 22 1.456 -12.526 -1.311 155 HG1 THR 22 HG1 THR 22 0.998 -13.072 -3.316 156 HG21 THR 22 3HG2 THR 22 -1.546 -12.487 -0.881 157 HG22 THR 22 1HG2 THR 22 -0.333 -12.315 0.388 158 HG23 THR 22 2HG2 THR 22 -0.459 -13.827 -0.513 159 H LYS 23 H LYS 23 -1.070 -9.558 0.055 160 HA LYS 23 HA LYS 23 -3.449 -9.239 -1.607 161 HB2 LYS 23 2HB LYS 23 -2.834 -8.188 1.192 162 HB3 LYS 23 3HB LYS 23 -4.399 -8.080 0.406 163 HG2 LYS 23 2HG LYS 23 -3.108 -10.763 0.900 164 HG3 LYS 23 3HG LYS 23 -3.971 -9.932 2.182 165 HD2 LYS 23 2HD LYS 23 -5.499 -11.484 1.237 166 HD3 LYS 23 3HD LYS 23 -6.005 -9.898 0.667 167 HE2 LYS 23 2HE LYS 23 -5.078 -10.331 -1.522 168 HE3 LYS 23 3HE LYS 23 -4.333 -11.832 -0.963 169 HZ1 LYS 23 3HZ LYS 23 -6.546 -12.730 -0.564 170 HZ2 LYS 23 1HZ LYS 23 -6.368 -12.270 -2.178 171 HZ3 LYS 23 2HZ LYS 23 -7.256 -11.300 -1.115 172 H LEU 24 H LEU 24 -0.864 -7.197 -0.263 173 HA LEU 24 HA LEU 24 -1.859 -4.688 -0.913 174 HB2 LEU 24 2HB LEU 24 -0.003 -5.060 0.675 175 HB3 LEU 24 3HB LEU 24 1.044 -5.541 -0.651 176 HG LEU 24 HG LEU 24 0.871 -3.225 -1.602 177 HD11 LEU 24 1HD1 LEU 24 -0.657 -2.532 0.924 178 HD12 LEU 24 2HD1 LEU 24 -1.285 -2.524 -0.727 179 HD13 LEU 24 3HD1 LEU 24 -0.033 -1.379 -0.259 180 HD21 LEU 24 3HD2 LEU 24 2.338 -2.120 0.023 181 HD22 LEU 24 1HD2 LEU 24 2.787 -3.810 -0.203 182 HD23 LEU 24 2HD2 LEU 24 1.910 -3.317 1.247 183 H TRP 25 H TRP 25 0.509 -6.629 -2.878 184 HA TRP 25 HA TRP 25 0.809 -4.691 -4.905 185 HB2 TRP 25 2HB TRP 25 2.042 -6.290 -6.148 186 HB3 TRP 25 3HB TRP 25 2.258 -6.810 -4.486 187 HD1 TRP 25 HD1 TRP 25 0.462 -8.922 -3.767 188 HE1 TRP 25 HE1 TRP 25 -0.107 -11.019 -5.140 189 HE3 TRP 25 HE3 TRP 25 1.818 -7.248 -8.383 190 HZ2 TRP 25 HZ2 TRP 25 0.018 -11.865 -7.831 191 HZ3 TRP 25 HZ3 TRP 25 1.580 -8.757 -10.311 192 HH2 TRP 25 HH2 TRP 25 0.697 -11.024 -10.046 193 H THR 26 H THR 26 -1.491 -7.346 -4.591 194 HA THR 26 HA THR 26 -2.880 -7.123 -7.022 195 HB THR 26 HB THR 26 -3.950 -8.020 -4.303 196 HG1 THR 26 HG1 THR 26 -2.642 -9.653 -4.586 197 HG21 THR 26 3HG2 THR 26 -5.768 -7.694 -5.968 198 HG22 THR 26 1HG2 THR 26 -5.538 -9.405 -5.582 199 HG23 THR 26 2HG2 THR 26 -4.913 -8.747 -7.095 200 H LEU 27 H LEU 27 -3.350 -5.574 -3.880 201 HA LEU 27 HA LEU 27 -5.746 -4.202 -4.284 202 HB2 LEU 27 2HB LEU 27 -4.887 -4.643 -2.083 203 HB3 LEU 27 3HB LEU 27 -3.352 -3.876 -2.439 204 HG LEU 27 HG LEU 27 -4.425 -1.659 -2.385 205 HD11 LEU 27 1HD1 LEU 27 -6.729 -1.361 -1.783 206 HD12 LEU 27 2HD1 LEU 27 -6.977 -3.099 -1.655 207 HD13 LEU 27 3HD1 LEU 27 -6.637 -2.365 -3.224 208 HD21 LEU 27 3HD2 LEU 27 -5.067 -3.314 0.089 209 HD22 LEU 27 1HD2 LEU 27 -4.893 -1.557 0.027 210 HD23 LEU 27 2HD2 LEU 27 -3.503 -2.591 -0.290 211 H VAL 28 H VAL 28 -2.394 -3.074 -4.510 212 HA VAL 28 HA VAL 28 -2.764 -0.455 -5.404 213 HB VAL 28 HB VAL 28 -0.459 -2.416 -5.838 214 HG11 VAL 28 1HG1 VAL 28 1.003 -0.487 -6.299 215 HG12 VAL 28 2HG1 VAL 28 -0.394 0.590 -6.257 216 HG13 VAL 28 3HG1 VAL 28 -0.265 -0.635 -7.519 217 HG21 VAL 28 3HG2 VAL 28 -0.784 -0.188 -3.797 218 HG22 VAL 28 1HG2 VAL 28 0.618 -1.251 -3.957 219 HG23 VAL 28 2HG2 VAL 28 -0.943 -1.914 -3.474 220 H SER 29 H SER 29 -2.802 -3.503 -7.163 221 HA SER 29 HA SER 29 -2.712 -2.199 -9.794 222 HB2 SER 29 2HB SER 29 -1.236 -4.148 -9.379 223 HB3 SER 29 3HB SER 29 -2.638 -5.152 -9.035 224 HG SER 29 HG SER 29 -2.734 -3.865 -11.477 225 H ASP 30 H ASP 30 -5.137 -3.046 -7.604 226 HA ASP 30 HA ASP 30 -6.988 -4.277 -9.478 227 HB2 ASP 30 2HB ASP 30 -6.948 -5.004 -7.127 228 HB3 ASP 30 3HB ASP 30 -7.371 -3.384 -6.590 229 HA PRO 31 HA PRO 31 -8.648 -0.395 -11.000 230 HB2 PRO 31 2HB PRO 31 -10.890 -1.291 -12.303 231 HB3 PRO 31 3HB PRO 31 -9.250 -1.611 -12.902 232 HG2 PRO 31 2HG PRO 31 -11.031 -3.407 -11.283 233 HG3 PRO 31 3HG PRO 31 -10.093 -3.786 -12.746 234 HD2 PRO 31 2HD PRO 31 -9.180 -4.426 -10.285 235 HD3 PRO 31 3HD PRO 31 -8.070 -3.923 -11.580 236 H ASP 32 H ASP 32 -10.616 -2.416 -8.852 237 HA ASP 32 HA ASP 32 -12.765 -0.502 -8.512 238 HB2 ASP 32 2HB ASP 32 -13.271 -2.850 -8.178 239 HB3 ASP 32 3HB ASP 32 -12.006 -3.023 -6.972 240 H THR 33 H THR 33 -9.711 -1.149 -6.949 241 HA THR 33 HA THR 33 -10.303 0.762 -4.754 242 HB THR 33 HB THR 33 -8.287 -0.314 -3.637 243 HG1 THR 33 HG1 THR 33 -7.307 -1.294 -5.429 244 HG21 THR 33 3HG2 THR 33 -9.509 -2.326 -2.910 245 HG22 THR 33 1HG2 THR 33 -10.604 -2.175 -4.285 246 HG23 THR 33 2HG2 THR 33 -10.606 -0.951 -3.014 247 H ASP 34 H ASP 34 -8.983 0.773 -7.709 248 HA ASP 34 HA ASP 34 -6.419 1.850 -7.602 249 HB2 ASP 34 2HB ASP 34 -7.438 0.955 -9.642 250 HB3 ASP 34 3HB ASP 34 -8.648 2.226 -9.650 251 H ALA 35 H ALA 35 -9.526 3.434 -7.265 252 HA ALA 35 HA ALA 35 -8.766 6.122 -7.589 253 HB1 ALA 35 3HB ALA 35 -11.052 5.011 -5.939 254 HB2 ALA 35 1HB ALA 35 -11.099 5.359 -7.667 255 HB3 ALA 35 2HB ALA 35 -10.898 6.676 -6.509 256 H LEU 36 H LEU 36 -8.604 4.028 -4.736 257 HA LEU 36 HA LEU 36 -7.787 6.311 -3.029 258 HB2 LEU 36 2HB LEU 36 -8.933 3.604 -2.232 259 HB3 LEU 36 3HB LEU 36 -8.375 4.817 -1.092 260 HG LEU 36 HG LEU 36 -10.759 5.067 -2.963 261 HD11 LEU 36 1HD1 LEU 36 -11.201 3.637 -1.025 262 HD12 LEU 36 2HD1 LEU 36 -12.103 5.144 -0.905 263 HD13 LEU 36 3HD1 LEU 36 -10.649 4.911 0.068 264 HD21 LEU 36 3HD2 LEU 36 -9.671 7.237 -2.809 265 HD22 LEU 36 1HD2 LEU 36 -9.635 7.132 -1.048 266 HD23 LEU 36 2HD2 LEU 36 -11.177 7.263 -1.898 267 H ILE 37 H ILE 37 -6.594 3.514 -4.617 268 HA ILE 37 HA ILE 37 -3.944 4.113 -3.647 269 HB ILE 37 HB ILE 37 -4.664 2.609 -1.870 270 HG12 ILE 37 2HG1 ILE 37 -2.698 1.130 -3.684 271 HG13 ILE 37 3HG1 ILE 37 -2.278 2.477 -2.632 272 HG21 ILE 37 1HG2 ILE 37 -5.348 0.289 -2.232 273 HG22 ILE 37 2HG2 ILE 37 -5.232 0.502 -3.980 274 HG23 ILE 37 3HG2 ILE 37 -6.444 1.397 -3.060 275 HD11 ILE 37 3HD1 ILE 37 -1.629 0.378 -1.629 276 HD12 ILE 37 1HD1 ILE 37 -3.281 -0.228 -1.732 277 HD13 ILE 37 2HD1 ILE 37 -2.901 1.129 -0.669 278 H CYS 38 H CYS 38 -2.590 3.934 -5.303 279 HA CYS 38 HA CYS 38 -2.688 1.764 -7.200 280 HB2 CYS 38 2HB CYS 38 -2.809 3.356 -9.206 281 HB3 CYS 38 3HB CYS 38 -4.319 3.120 -8.327 282 HG CYS 38 HG CYS 38 -4.655 5.534 -7.480 283 H TRP 39 H TRP 39 -0.904 1.889 -8.729 284 HA TRP 39 HA TRP 39 1.555 2.548 -7.403 285 HB2 TRP 39 2HB TRP 39 2.563 1.702 -9.670 286 HB3 TRP 39 3HB TRP 39 1.688 0.552 -8.666 287 HD1 TRP 39 HD1 TRP 39 -0.629 -0.403 -9.605 288 HE1 TRP 39 HE1 TRP 39 -1.703 -0.399 -11.933 289 HE3 TRP 39 HE3 TRP 39 2.328 3.097 -11.886 290 HZ2 TRP 39 HZ2 TRP 39 -1.354 0.877 -14.412 291 HZ3 TRP 39 HZ3 TRP 39 1.899 3.651 -14.245 292 HH2 TRP 39 HH2 TRP 39 0.091 2.560 -15.483 293 H SER 40 H SER 40 3.105 4.028 -8.004 294 HA SER 40 HA SER 40 2.306 6.516 -9.154 295 HB2 SER 40 2HB SER 40 5.124 5.508 -8.546 296 HB3 SER 40 3HB SER 40 4.577 7.182 -8.589 297 HG SER 40 HG SER 40 4.548 6.723 -6.490 298 HA PRO 41 HA PRO 41 2.908 6.091 -13.562 299 HB2 PRO 41 2HB PRO 41 5.073 8.206 -13.359 300 HB3 PRO 41 3HB PRO 41 3.708 8.093 -14.496 301 HG2 PRO 41 2HG PRO 41 3.569 9.758 -12.444 302 HG3 PRO 41 3HG PRO 41 2.144 8.806 -12.921 303 HD2 PRO 41 2HD PRO 41 3.953 8.434 -10.562 304 HD3 PRO 41 3HD PRO 41 2.217 8.094 -10.721 305 H SER 42 H SER 42 6.072 6.492 -11.933 306 HA SER 42 HA SER 42 7.563 5.042 -13.921 307 HB2 SER 42 2HB SER 42 8.395 5.888 -11.113 308 HB3 SER 42 3HB SER 42 9.478 5.389 -12.414 309 HG SER 42 HG SER 42 8.274 7.230 -13.585 310 H GLY 43 H GLY 43 5.961 4.192 -10.901 311 HA2 GLY 43 2HA GLY 43 5.190 2.086 -10.307 312 HA3 GLY 43 3HA GLY 43 6.180 1.367 -11.564 313 H ASN 44 H ASN 44 7.825 3.533 -9.473 314 HA ASN 44 HA ASN 44 9.372 1.454 -8.174 315 HB2 ASN 44 2HB ASN 44 9.388 4.486 -7.716 316 HB3 ASN 44 3HB ASN 44 10.597 3.349 -7.123 317 HD21 ASN 44 1HD2 ASN 44 10.756 5.711 -8.992 318 HD22 ASN 44 2HD2 ASN 44 11.564 5.094 -10.391 319 H SER 45 H SER 45 6.426 3.019 -7.447 320 HA SER 45 HA SER 45 6.339 2.120 -4.712 321 HB2 SER 45 2HB SER 45 5.979 4.496 -3.806 322 HB3 SER 45 3HB SER 45 7.635 4.106 -4.273 323 HG SER 45 HG SER 45 5.838 5.889 -5.419 324 H PHE 46 H PHE 46 4.249 3.406 -3.664 325 HA PHE 46 HA PHE 46 2.126 3.727 -5.689 326 HB2 PHE 46 2HB PHE 46 0.583 2.251 -4.499 327 HB3 PHE 46 3HB PHE 46 2.031 1.348 -4.911 328 HD1 PHE 46 HD2 PHE 46 3.770 0.921 -3.050 329 HD2 PHE 46 HD1 PHE 46 -0.169 2.363 -2.224 330 HE1 PHE 46 HE2 PHE 46 3.991 0.202 -0.708 331 HE2 PHE 46 HE1 PHE 46 0.065 1.639 0.117 332 HZ PHE 46 HZ PHE 46 2.141 0.559 0.876 333 H HIS 47 H HIS 47 0.339 4.978 -4.960 334 HA HIS 47 HA HIS 47 0.806 6.639 -2.549 335 HB2 HIS 47 2HB HIS 47 -0.763 7.236 -5.093 336 HB3 HIS 47 3HB HIS 47 -0.751 8.283 -3.681 337 HD1 HIS 47 HD1 HIS 47 1.037 10.001 -3.586 338 HD2 HIS 47 HD2 HIS 47 1.804 7.106 -6.457 339 HE1 HIS 47 HE1 HIS 47 2.993 10.861 -4.900 340 HE2 HIS 47 HE2 HIS 47 3.585 8.977 -6.449 341 H VAL 48 H VAL 48 -1.044 7.189 -1.293 342 HA VAL 48 HA VAL 48 -3.484 5.544 -1.593 343 HB VAL 48 HB VAL 48 -2.041 6.163 1.045 344 HG11 VAL 48 1HG1 VAL 48 -3.780 4.793 2.133 345 HG12 VAL 48 2HG1 VAL 48 -4.616 4.614 0.590 346 HG13 VAL 48 3HG1 VAL 48 -4.472 6.206 1.337 347 HG21 VAL 48 3HG2 VAL 48 -0.896 4.363 -0.190 348 HG22 VAL 48 1HG2 VAL 48 -2.410 3.465 -0.318 349 HG23 VAL 48 2HG2 VAL 48 -1.672 3.734 1.262 350 H PHE 49 H PHE 49 -5.201 6.823 -1.704 351 HA PHE 49 HA PHE 49 -5.126 9.635 -0.716 352 HB2 PHE 49 2HB PHE 49 -6.642 8.331 -3.017 353 HB3 PHE 49 3HB PHE 49 -7.272 9.788 -2.263 354 HD1 PHE 49 HD2 PHE 49 -5.831 11.880 -2.228 355 HD2 PHE 49 HD1 PHE 49 -4.933 8.497 -4.686 356 HE1 PHE 49 HE2 PHE 49 -4.438 13.299 -3.673 357 HE2 PHE 49 HE1 PHE 49 -3.543 9.928 -6.126 358 HZ PHE 49 HZ PHE 49 -3.293 12.325 -5.625 359 H ASP 50 H ASP 50 -6.745 10.361 0.596 360 HA ASP 50 HA ASP 50 -8.435 10.419 2.066 361 HB2 ASP 50 2HB ASP 50 -9.806 8.548 0.075 362 HB3 ASP 50 3HB ASP 50 -10.618 9.425 1.366 363 H GLN 51 H GLN 51 -6.671 9.133 3.203 364 HA GLN 51 HA GLN 51 -6.682 6.361 3.471 365 HB2 GLN 51 2HB GLN 51 -5.611 8.392 5.468 366 HB3 GLN 51 3HB GLN 51 -5.157 6.691 5.374 367 HG2 GLN 51 2HG GLN 51 -4.220 7.077 3.107 368 HG3 GLN 51 3HG GLN 51 -4.623 8.787 3.234 369 HE21 GLN 51 1HE2 GLN 51 -2.498 6.262 4.273 370 HE22 GLN 51 2HE2 GLN 51 -1.337 7.257 5.068 371 H GLY 52 H GLY 52 -8.677 8.685 5.156 372 HA2 GLY 52 2HA GLY 52 -9.589 7.040 7.297 373 HA3 GLY 52 3HA GLY 52 -10.430 8.424 6.606 374 H GLN 53 H GLN 53 -10.875 7.674 4.012 375 HA GLN 53 HA GLN 53 -13.152 5.950 4.226 376 HB2 GLN 53 2HB GLN 53 -12.929 7.948 2.668 377 HB3 GLN 53 3HB GLN 53 -11.793 7.011 1.705 378 HG2 GLN 53 2HG GLN 53 -13.991 6.986 0.666 379 HG3 GLN 53 3HG GLN 53 -13.576 5.361 1.219 380 HE21 GLN 53 1HE2 GLN 53 -15.740 4.708 1.323 381 HE22 GLN 53 2HE2 GLN 53 -16.830 5.283 2.527 382 H PHE 54 H PHE 54 -10.035 5.739 2.569 383 HA PHE 54 HA PHE 54 -9.920 3.210 1.556 384 HB2 PHE 54 2HB PHE 54 -8.150 4.846 1.220 385 HB3 PHE 54 3HB PHE 54 -7.799 4.911 2.937 386 HD1 PHE 54 HD1 PHE 54 -6.428 3.163 4.006 387 HD2 PHE 54 HD2 PHE 54 -7.269 3.015 -0.186 388 HE1 PHE 54 HE1 PHE 54 -4.636 1.507 3.701 389 HE2 PHE 54 HE2 PHE 54 -5.478 1.354 -0.463 390 HZ PHE 54 HZ PHE 54 -4.163 0.599 1.464 391 H ALA 55 H ALA 55 -9.055 4.146 4.903 392 HA ALA 55 HA ALA 55 -8.500 1.554 5.829 393 HB1 ALA 55 3HB ALA 55 -7.800 3.601 7.011 394 HB2 ALA 55 1HB ALA 55 -8.676 2.512 8.087 395 HB3 ALA 55 2HB ALA 55 -9.480 3.940 7.431 396 H LYS 56 H LYS 56 -11.513 3.330 5.603 397 HA LYS 56 HA LYS 56 -13.094 1.689 7.298 398 HB2 LYS 56 2HB LYS 56 -13.815 3.911 7.072 399 HB3 LYS 56 3HB LYS 56 -13.661 3.911 5.329 400 HG2 LYS 56 2HG LYS 56 -15.738 2.081 6.456 401 HG3 LYS 56 3HG LYS 56 -16.050 3.807 6.627 402 HD2 LYS 56 2HD LYS 56 -16.061 4.153 4.266 403 HD3 LYS 56 3HD LYS 56 -15.293 2.595 3.950 404 HE2 LYS 56 2HE LYS 56 -17.353 1.437 4.684 405 HE3 LYS 56 3HE LYS 56 -18.120 3.001 4.993 406 HZ1 LYS 56 3HZ LYS 56 -18.683 1.984 2.811 407 HZ2 LYS 56 1HZ LYS 56 -17.071 2.177 2.333 408 HZ3 LYS 56 2HZ LYS 56 -18.019 3.534 2.690 409 H GLU 57 H GLU 57 -12.710 1.717 3.716 410 HA GLU 57 HA GLU 57 -14.479 -0.684 3.570 411 HB2 GLU 57 2HB GLU 57 -14.945 0.025 1.195 412 HB3 GLU 57 3HB GLU 57 -15.539 1.121 2.432 413 HG2 GLU 57 2HG GLU 57 -13.701 2.657 2.016 414 HG3 GLU 57 3HG GLU 57 -12.990 1.550 0.854 415 H VAL 58 H VAL 58 -11.334 0.505 2.545 416 HA VAL 58 HA VAL 58 -10.963 -1.561 0.522 417 HB VAL 58 HB VAL 58 -9.103 0.616 1.587 418 HG11 VAL 58 1HG1 VAL 58 -8.665 -1.272 -0.749 419 HG12 VAL 58 2HG1 VAL 58 -7.742 -1.220 0.755 420 HG13 VAL 58 3HG1 VAL 58 -7.666 0.134 -0.370 421 HG21 VAL 58 3HG2 VAL 58 -9.567 1.755 -0.561 422 HG22 VAL 58 1HG2 VAL 58 -11.051 1.494 0.357 423 HG23 VAL 58 2HG2 VAL 58 -10.673 0.459 -1.022 424 H LEU 59 H LEU 59 -9.579 -0.762 3.731 425 HA LEU 59 HA LEU 59 -7.755 -2.913 3.848 426 HB2 LEU 59 2HB LEU 59 -8.960 -1.273 6.094 427 HB3 LEU 59 3HB LEU 59 -7.726 -2.492 6.356 428 HG LEU 59 HG LEU 59 -7.426 0.118 4.822 429 HD11 LEU 59 1HD1 LEU 59 -7.297 0.334 7.252 430 HD12 LEU 59 2HD1 LEU 59 -5.723 0.622 6.519 431 HD13 LEU 59 3HD1 LEU 59 -6.051 -0.915 7.324 432 HD21 LEU 59 3HD2 LEU 59 -5.087 -0.528 4.379 433 HD22 LEU 59 1HD2 LEU 59 -6.225 -1.600 3.567 434 HD23 LEU 59 2HD2 LEU 59 -5.401 -2.138 5.032 435 HA PRO 60 HA PRO 60 -11.142 -5.559 6.255 436 HB2 PRO 60 2HB PRO 60 -13.799 -4.948 5.754 437 HB3 PRO 60 3HB PRO 60 -12.900 -4.315 7.147 438 HG2 PRO 60 2HG PRO 60 -13.445 -2.987 4.511 439 HG3 PRO 60 3HG PRO 60 -13.600 -2.321 6.154 440 HD2 PRO 60 2HD PRO 60 -11.453 -1.765 4.639 441 HD3 PRO 60 3HD PRO 60 -11.288 -2.019 6.393 442 H LYS 61 H LYS 61 -11.370 -4.310 3.030 443 HA LYS 61 HA LYS 61 -12.762 -6.524 1.830 444 HB2 LYS 61 2HB LYS 61 -12.705 -4.209 0.873 445 HB3 LYS 61 3HB LYS 61 -10.995 -4.409 0.521 446 HG2 LYS 61 2HG LYS 61 -11.504 -6.186 -1.090 447 HG3 LYS 61 3HG LYS 61 -13.223 -6.084 -0.692 448 HD2 LYS 61 2HD LYS 61 -13.292 -3.752 -1.543 449 HD3 LYS 61 3HD LYS 61 -11.568 -3.829 -1.911 450 HE2 LYS 61 2HE LYS 61 -13.693 -5.580 -3.185 451 HE3 LYS 61 3HE LYS 61 -12.995 -4.138 -3.917 452 HZ1 LYS 61 3HZ LYS 61 -10.863 -5.190 -3.989 453 HZ2 LYS 61 1HZ LYS 61 -11.997 -6.224 -4.701 454 HZ3 LYS 61 2HZ LYS 61 -11.431 -6.539 -3.138 455 H TYR 62 H TYR 62 -9.308 -5.493 1.788 456 HA TYR 62 HA TYR 62 -8.514 -8.107 0.658 457 HB2 TYR 62 2HB TYR 62 -6.908 -5.568 1.188 458 HB3 TYR 62 3HB TYR 62 -6.185 -7.063 0.585 459 HD1 TYR 62 HD2 TYR 62 -8.891 -4.612 -0.168 460 HD2 TYR 62 HD1 TYR 62 -6.184 -7.506 -1.771 461 HE1 TYR 62 HE2 TYR 62 -9.637 -4.057 -2.423 462 HE2 TYR 62 HE1 TYR 62 -6.950 -6.947 -4.044 463 HH TYR 62 HH TYR 62 -8.690 -4.216 -4.774 464 H PHE 63 H PHE 63 -8.089 -6.293 3.619 465 HA PHE 63 HA PHE 63 -6.583 -8.521 4.872 466 HB2 PHE 63 2HB PHE 63 -6.800 -5.623 5.850 467 HB3 PHE 63 3HB PHE 63 -5.690 -6.864 6.429 468 HD1 PHE 63 HD2 PHE 63 -3.942 -7.787 4.741 469 HD2 PHE 63 HD1 PHE 63 -6.111 -4.159 4.095 470 HE1 PHE 63 HE2 PHE 63 -2.287 -7.086 3.065 471 HE2 PHE 63 HE1 PHE 63 -4.452 -3.473 2.410 472 HZ PHE 63 HZ PHE 63 -2.537 -4.936 1.895 473 H LYS 64 H LYS 64 -7.099 -8.153 7.510 474 HA LYS 64 HA LYS 64 -10.029 -8.497 7.767 475 HB2 LYS 64 2HB LYS 64 -7.866 -10.095 9.233 476 HB3 LYS 64 3HB LYS 64 -9.602 -10.311 9.393 477 HG2 LYS 64 2HG LYS 64 -7.970 -10.874 6.899 478 HG3 LYS 64 3HG LYS 64 -8.611 -12.083 8.010 479 HD2 LYS 64 2HD LYS 64 -10.917 -11.430 7.412 480 HD3 LYS 64 3HD LYS 64 -10.293 -10.174 6.340 481 HE2 LYS 64 2HE LYS 64 -10.998 -12.172 5.081 482 HE3 LYS 64 3HE LYS 64 -9.267 -11.891 4.906 483 HZ1 LYS 64 3HZ LYS 64 -10.483 -13.838 6.794 484 HZ2 LYS 64 1HZ LYS 64 -8.833 -13.623 6.489 485 HZ3 LYS 64 2HZ LYS 64 -9.844 -14.232 5.279 486 H HIS 65 H HIS 65 -8.985 -6.072 8.037 487 HA HIS 65 HA HIS 65 -9.730 -5.310 10.684 488 HB2 HIS 65 2HB HIS 65 -7.649 -4.100 11.325 489 HB3 HIS 65 3HB HIS 65 -7.324 -5.823 11.154 490 HD1 HIS 65 HD1 HIS 65 -6.459 -2.485 9.659 491 HD2 HIS 65 HD2 HIS 65 -5.622 -6.506 8.982 492 HE1 HIS 65 HE1 HIS 65 -4.519 -2.515 8.069 493 HE2 HIS 65 HE2 HIS 65 -3.968 -4.951 7.752 494 H ASN 66 H ASN 66 -9.879 -2.926 10.813 495 HA ASN 66 HA ASN 66 -10.088 -1.605 8.155 496 HB2 ASN 66 2HB ASN 66 -11.714 -0.945 10.666 497 HB3 ASN 66 3HB ASN 66 -11.825 -0.125 9.108 498 HD21 ASN 66 1HD2 ASN 66 -13.929 -0.570 8.628 499 HD22 ASN 66 2HD2 ASN 66 -14.558 -2.161 8.388 500 H ASN 67 H ASN 67 -8.672 -1.611 11.278 501 HA ASN 67 HA ASN 67 -8.100 1.094 11.744 502 HB2 ASN 67 2HB ASN 67 -7.945 -0.693 13.461 503 HB3 ASN 67 3HB ASN 67 -6.562 -1.387 12.634 504 HD21 ASN 67 1HD2 ASN 67 -7.684 1.320 14.567 505 HD22 ASN 67 2HD2 ASN 67 -6.115 1.883 15.034 506 H MET 68 H MET 68 -6.816 2.466 10.675 507 HA MET 68 HA MET 68 -5.166 1.655 8.470 508 HB2 MET 68 2HB MET 68 -6.499 3.775 8.475 509 HB3 MET 68 3HB MET 68 -5.434 4.431 9.712 510 HG2 MET 68 2HG MET 68 -4.902 5.274 7.474 511 HG3 MET 68 3HG MET 68 -3.561 4.323 8.126 512 HE1 MET 68 3HE MET 68 -3.533 3.623 4.247 513 HE2 MET 68 1HE MET 68 -2.607 4.243 5.614 514 HE3 MET 68 2HE MET 68 -4.026 5.119 5.039 515 H ALA 69 H ALA 69 -4.565 2.707 11.779 516 HA ALA 69 HA ALA 69 -1.815 3.187 11.701 517 HB1 ALA 69 3HB ALA 69 -3.231 3.719 13.642 518 HB2 ALA 69 1HB ALA 69 -1.829 2.763 14.123 519 HB3 ALA 69 2HB ALA 69 -3.416 2.000 13.993 520 H SER 70 H SER 70 -3.587 0.156 11.942 521 HA SER 70 HA SER 70 -1.481 -1.644 12.409 522 HB2 SER 70 2HB SER 70 -3.866 -2.202 12.694 523 HB3 SER 70 3HB SER 70 -4.137 -2.037 10.957 524 HG SER 70 HG SER 70 -2.776 -4.037 12.398 525 H PHE 71 H PHE 71 -2.864 -0.367 9.404 526 HA PHE 71 HA PHE 71 -1.451 -2.030 7.570 527 HB2 PHE 71 2HB PHE 71 -3.567 -0.962 6.951 528 HB3 PHE 71 3HB PHE 71 -2.891 0.639 7.212 529 HD1 PHE 71 HD1 PHE 71 -2.462 -2.418 5.073 530 HD2 PHE 71 HD2 PHE 71 -2.011 1.825 5.348 531 HE1 PHE 71 HE1 PHE 71 -1.883 -2.316 2.682 532 HE2 PHE 71 HE2 PHE 71 -1.427 1.916 2.957 533 HZ PHE 71 HZ PHE 71 -1.362 -0.156 1.624 534 H VAL 72 H VAL 72 -1.026 1.391 8.519 535 HA VAL 72 HA VAL 72 1.339 1.929 7.110 536 HB VAL 72 HB VAL 72 0.310 3.227 9.676 537 HG11 VAL 72 1HG1 VAL 72 2.278 4.362 7.652 538 HG12 VAL 72 2HG1 VAL 72 2.674 3.816 9.282 539 HG13 VAL 72 3HG1 VAL 72 1.622 5.212 9.053 540 HG21 VAL 72 3HG2 VAL 72 -0.753 4.905 8.208 541 HG22 VAL 72 1HG2 VAL 72 -1.362 3.287 7.860 542 HG23 VAL 72 2HG2 VAL 72 -0.185 4.036 6.780 543 H ARG 73 H ARG 73 0.836 0.609 10.393 544 HA ARG 73 HA ARG 73 3.417 0.564 11.438 545 HB2 ARG 73 2HB ARG 73 1.518 -0.125 12.795 546 HB3 ARG 73 3HB ARG 73 1.140 -1.447 11.702 547 HG2 ARG 73 2HG ARG 73 3.382 -2.483 12.385 548 HG3 ARG 73 3HG ARG 73 3.459 -1.260 13.652 549 HD2 ARG 73 2HD ARG 73 1.399 -2.106 14.656 550 HD3 ARG 73 3HD ARG 73 1.183 -3.248 13.322 551 HE ARG 73 HE ARG 73 3.686 -3.565 14.731 552 HH11 ARG 73 1HH1 ARG 73 0.294 -4.503 14.763 553 HH12 ARG 73 2HH1 ARG 73 0.576 -5.947 15.679 554 HH21 ARG 73 1HH2 ARG 73 4.044 -5.483 15.914 555 HH22 ARG 73 2HH2 ARG 73 2.707 -6.502 16.333 556 H GLN 74 H GLN 74 1.806 -1.850 9.388 557 HA GLN 74 HA GLN 74 3.798 -3.821 9.286 558 HB2 GLN 74 2HB GLN 74 1.687 -3.053 7.229 559 HB3 GLN 74 3HB GLN 74 2.659 -4.509 7.118 560 HG2 GLN 74 2HG GLN 74 0.903 -3.989 9.519 561 HG3 GLN 74 3HG GLN 74 0.253 -4.686 8.041 562 HE21 GLN 74 1HE2 GLN 74 -0.280 -6.630 9.047 563 HE22 GLN 74 2HE2 GLN 74 0.905 -7.780 9.548 564 H LEU 75 H LEU 75 3.105 -1.123 7.043 565 HA LEU 75 HA LEU 75 5.080 -1.689 5.134 566 HB2 LEU 75 2HB LEU 75 3.604 0.881 5.819 567 HB3 LEU 75 3HB LEU 75 4.638 0.716 4.406 568 HG LEU 75 HG LEU 75 2.200 -1.035 4.914 569 HD11 LEU 75 1HD1 LEU 75 1.030 0.285 3.239 570 HD12 LEU 75 2HD1 LEU 75 2.407 1.381 3.105 571 HD13 LEU 75 3HD1 LEU 75 1.496 1.285 4.614 572 HD21 LEU 75 3HD2 LEU 75 3.852 -2.109 3.481 573 HD22 LEU 75 1HD2 LEU 75 3.928 -0.681 2.441 574 HD23 LEU 75 2HD2 LEU 75 2.445 -1.636 2.531 575 H ASN 76 H ASN 76 5.115 0.582 7.894 576 HA ASN 76 HA ASN 76 7.676 1.667 7.551 577 HB2 ASN 76 2HB ASN 76 6.164 1.168 10.156 578 HB3 ASN 76 3HB ASN 76 7.598 2.181 10.016 579 HD21 ASN 76 1HD2 ASN 76 4.922 2.898 10.900 580 HD22 ASN 76 2HD2 ASN 76 4.397 4.173 9.859 581 H MET 77 H MET 77 6.675 -1.319 9.194 582 HA MET 77 HA MET 77 9.275 -2.088 10.111 583 HB2 MET 77 2HB MET 77 6.804 -3.797 9.596 584 HB3 MET 77 3HB MET 77 8.260 -4.377 10.386 585 HG2 MET 77 2HG MET 77 7.892 -2.632 12.166 586 HG3 MET 77 3HG MET 77 6.337 -2.285 11.415 587 HE1 MET 77 3HE MET 77 4.467 -4.344 11.031 588 HE2 MET 77 1HE MET 77 4.657 -5.928 11.782 589 HE3 MET 77 2HE MET 77 5.721 -5.449 10.458 590 H TYR 78 H TYR 78 7.520 -2.521 7.083 591 HA TYR 78 HA TYR 78 9.457 -4.391 5.967 592 HB2 TYR 78 2HB TYR 78 6.935 -3.086 4.892 593 HB3 TYR 78 3HB TYR 78 8.021 -3.970 3.830 594 HD1 TYR 78 HD1 TYR 78 8.740 -6.402 4.940 595 HD2 TYR 78 HD2 TYR 78 5.050 -4.337 5.576 596 HE1 TYR 78 HE1 TYR 78 7.638 -8.532 5.480 597 HE2 TYR 78 HE2 TYR 78 3.954 -6.468 6.124 598 HH TYR 78 HH TYR 78 4.245 -8.856 5.724 599 H GLY 79 H GLY 79 9.720 -1.217 6.635 600 HA2 GLY 79 2HA GLY 79 11.520 0.143 6.165 601 HA3 GLY 79 3HA GLY 79 11.998 -0.950 4.876 602 H PHE 80 H PHE 80 8.726 0.216 4.865 603 HA PHE 80 HA PHE 80 9.169 1.792 2.459 604 HB2 PHE 80 2HB PHE 80 6.636 1.072 3.998 605 HB3 PHE 80 3HB PHE 80 6.628 2.202 2.651 606 HD1 PHE 80 HD1 PHE 80 7.510 -1.348 3.504 607 HD2 PHE 80 HD2 PHE 80 6.347 1.400 0.440 608 HE1 PHE 80 HE1 PHE 80 7.190 -3.217 1.933 609 HE2 PHE 80 HE2 PHE 80 6.032 -0.479 -1.120 610 HZ PHE 80 HZ PHE 80 6.453 -2.787 -0.376 611 H ARG 81 H ARG 81 9.056 4.022 2.357 612 HA ARG 81 HA ARG 81 9.107 5.459 4.940 613 HB2 ARG 81 2HB ARG 81 11.111 5.688 3.439 614 HB3 ARG 81 3HB ARG 81 10.086 6.413 2.209 615 HG2 ARG 81 2HG ARG 81 9.589 8.302 3.766 616 HG3 ARG 81 3HG ARG 81 10.664 7.570 4.960 617 HD2 ARG 81 2HD ARG 81 11.427 8.669 2.238 618 HD3 ARG 81 3HD ARG 81 11.873 9.321 3.818 619 HE ARG 81 HE ARG 81 12.867 6.770 3.834 620 HH11 ARG 81 1HH1 ARG 81 13.364 9.561 1.739 621 HH12 ARG 81 2HH1 ARG 81 14.974 9.090 1.299 622 HH21 ARG 81 1HH2 ARG 81 14.954 6.137 3.186 623 HH22 ARG 81 2HH2 ARG 81 15.870 7.152 2.118 624 H LYS 82 H LYS 82 7.387 6.640 5.462 625 HA LYS 82 HA LYS 82 5.135 7.183 3.792 626 HB2 LYS 82 2HB LYS 82 5.105 6.897 6.305 627 HB3 LYS 82 3HB LYS 82 5.966 8.413 6.480 628 HG2 LYS 82 2HG LYS 82 3.250 8.240 5.168 629 HG3 LYS 82 3HG LYS 82 3.434 8.411 6.906 630 HD2 LYS 82 2HD LYS 82 4.547 10.576 6.608 631 HD3 LYS 82 3HD LYS 82 4.505 10.389 4.853 632 HE2 LYS 82 2HE LYS 82 2.739 11.890 5.537 633 HE3 LYS 82 3HE LYS 82 2.013 10.403 4.951 634 HZ1 LYS 82 3HZ LYS 82 1.683 9.703 7.229 635 HZ2 LYS 82 1HZ LYS 82 0.957 11.210 6.969 636 HZ3 LYS 82 2HZ LYS 82 2.423 11.110 7.806 637 H VAL 83 H VAL 83 5.188 8.681 2.166 638 HA VAL 83 HA VAL 83 6.623 11.242 2.535 639 HB VAL 83 HB VAL 83 6.543 9.654 -0.093 640 HG11 VAL 83 1HG1 VAL 83 8.085 11.401 -0.944 641 HG12 VAL 83 2HG1 VAL 83 7.920 12.282 0.576 642 HG13 VAL 83 3HG1 VAL 83 6.519 12.065 -0.475 643 HG21 VAL 83 3HG2 VAL 83 8.101 8.570 1.482 644 HG22 VAL 83 1HG2 VAL 83 8.938 10.103 1.739 645 HG23 VAL 83 2HG2 VAL 83 8.980 9.327 0.154 646 H VAL 84 H VAL 84 5.110 12.819 2.451 647 HA VAL 84 HA VAL 84 2.477 12.274 1.226 648 HB VAL 84 HB VAL 84 2.399 12.888 3.595 649 HG11 VAL 84 1HG1 VAL 84 3.822 15.473 2.903 650 HG12 VAL 84 2HG1 VAL 84 4.485 14.134 3.837 651 HG13 VAL 84 3HG1 VAL 84 3.130 15.064 4.474 652 HG21 VAL 84 3HG2 VAL 84 0.823 14.788 3.494 653 HG22 VAL 84 1HG2 VAL 84 0.535 13.625 2.200 654 HG23 VAL 84 2HG2 VAL 84 1.362 15.145 1.851 655 H HIS 85 H HIS 85 1.937 13.339 -0.640 656 HA HIS 85 HA HIS 85 3.852 15.363 -1.679 657 HB2 HIS 85 2HB HIS 85 2.043 13.433 -3.186 658 HB3 HIS 85 3HB HIS 85 2.939 14.735 -3.964 659 HD1 HIS 85 HD1 HIS 85 5.340 14.313 -4.540 660 HD2 HIS 85 HD2 HIS 85 3.799 11.407 -1.990 661 HE1 HIS 85 HE1 HIS 85 7.111 12.537 -4.383 662 HE2 HIS 85 HE2 HIS 85 6.125 10.758 -2.904 663 H ILE 86 H ILE 86 0.329 14.649 -1.510 664 HA ILE 86 HA ILE 86 -0.396 17.365 -2.144 665 HB ILE 86 HB ILE 86 -2.024 15.086 -0.925 666 HG12 ILE 86 2HG1 ILE 86 -1.463 14.804 -3.321 667 HG13 ILE 86 3HG1 ILE 86 -3.191 15.071 -3.123 668 HG21 ILE 86 1HG2 ILE 86 -2.959 17.186 -0.045 669 HG22 ILE 86 2HG2 ILE 86 -4.064 16.455 -1.208 670 HG23 ILE 86 3HG2 ILE 86 -3.077 17.841 -1.680 671 HD11 ILE 86 3HD1 ILE 86 -2.353 16.273 -5.034 672 HD12 ILE 86 1HD1 ILE 86 -1.160 17.107 -4.041 673 HD13 ILE 86 2HD1 ILE 86 -2.882 17.418 -3.805 674 H GLU 87 H GLU 87 0.244 18.930 -0.871 675 HA GLU 87 HA GLU 87 1.112 18.865 1.757 676 HB2 GLU 87 2HB GLU 87 1.656 20.634 0.160 677 HB3 GLU 87 3HB GLU 87 -0.012 21.159 0.100 678 HG2 GLU 87 2HG GLU 87 1.507 21.280 2.695 679 HG3 GLU 87 3HG GLU 87 1.766 22.512 1.468 680 H GLN 88 H GLN 88 0.152 19.121 3.730 681 HA GLN 88 HA GLN 88 -2.814 18.963 3.874 682 HB2 GLN 88 2HB GLN 88 -0.735 17.551 5.608 683 HB3 GLN 88 3HB GLN 88 -2.474 17.450 5.841 684 HG2 GLN 88 2HG GLN 88 -0.947 16.431 3.432 685 HG3 GLN 88 3HG GLN 88 -1.600 15.445 4.734 686 HE21 GLN 88 1HE2 GLN 88 -2.370 17.209 1.841 687 HE22 GLN 88 2HE2 GLN 88 -4.012 16.692 1.738 688 H GLY 89 H GLY 89 -0.502 21.147 4.491 689 HA2 GLY 89 2HA GLY 89 -0.795 21.781 7.269 690 HA3 GLY 89 3HA GLY 89 -0.086 22.804 6.026 691 H GLY 90 H GLY 90 -1.912 23.555 4.348 692 HA2 GLY 90 2HA GLY 90 -4.550 23.915 4.952 693 HA3 GLY 90 3HA GLY 90 -3.749 25.165 5.887 694 H LEU 91 H LEU 91 -3.883 23.877 2.549 695 HA LEU 91 HA LEU 91 -3.954 26.675 1.553 696 HB2 LEU 91 2HB LEU 91 -3.144 24.107 0.123 697 HB3 LEU 91 3HB LEU 91 -3.362 25.644 -0.700 698 HG LEU 91 HG LEU 91 -1.263 25.013 1.413 699 HD11 LEU 91 1HD1 LEU 91 -0.729 24.047 -0.771 700 HD12 LEU 91 2HD1 LEU 91 0.384 25.350 -0.363 701 HD13 LEU 91 3HD1 LEU 91 -0.907 25.631 -1.534 702 HD21 LEU 91 3HD2 LEU 91 -1.766 27.650 0.004 703 HD22 LEU 91 1HD2 LEU 91 -0.367 27.285 1.019 704 HD23 LEU 91 2HD2 LEU 91 -1.981 27.311 1.723 705 H VAL 92 H VAL 92 -5.241 26.709 -0.638 706 HA VAL 92 HA VAL 92 -7.947 26.600 0.049 707 HB VAL 92 HB VAL 92 -6.995 28.203 -1.570 708 HG11 VAL 92 1HG1 VAL 92 -5.420 26.747 -2.745 709 HG12 VAL 92 2HG1 VAL 92 -6.467 27.583 -3.891 710 HG13 VAL 92 3HG1 VAL 92 -6.755 25.883 -3.511 711 HG21 VAL 92 3HG2 VAL 92 -9.420 27.864 -1.605 712 HG22 VAL 92 1HG2 VAL 92 -9.249 26.555 -2.776 713 HG23 VAL 92 2HG2 VAL 92 -8.834 28.209 -3.233 714 H LYS 93 H LYS 93 -6.011 24.283 -1.765 715 HA LYS 93 HA LYS 93 -8.039 22.685 -2.906 716 HB2 LYS 93 2HB LYS 93 -6.298 20.989 -3.229 717 HB3 LYS 93 3HB LYS 93 -5.645 22.583 -3.592 718 HG2 LYS 93 2HG LYS 93 -4.463 22.658 -1.473 719 HG3 LYS 93 3HG LYS 93 -5.225 21.154 -0.948 720 HD2 LYS 93 2HD LYS 93 -4.056 19.931 -2.763 721 HD3 LYS 93 3HD LYS 93 -3.283 21.436 -3.278 722 HE2 LYS 93 2HE LYS 93 -2.921 20.054 -0.598 723 HE3 LYS 93 3HE LYS 93 -1.742 20.128 -1.906 724 HZ1 LYS 93 3HZ LYS 93 -2.780 22.493 -0.449 725 HZ2 LYS 93 1HZ LYS 93 -1.563 22.493 -1.620 726 HZ3 LYS 93 2HZ LYS 93 -1.308 21.741 -0.128 727 HA PRO 94 HA PRO 94 -9.475 20.201 0.637 728 HB2 PRO 94 2HB PRO 94 -9.979 17.782 -0.580 729 HB3 PRO 94 3HB PRO 94 -11.051 19.183 -0.773 730 HG2 PRO 94 2HG PRO 94 -8.850 18.263 -2.585 731 HG3 PRO 94 3HG PRO 94 -10.529 18.690 -3.008 732 HD2 PRO 94 2HD PRO 94 -8.577 20.474 -3.376 733 HD3 PRO 94 3HD PRO 94 -10.142 21.007 -2.715 734 H GLU 95 H GLU 95 -8.469 18.926 2.109 735 HA GLU 95 HA GLU 95 -5.697 18.178 1.602 736 HB2 GLU 95 2HB GLU 95 -5.549 17.906 4.087 737 HB3 GLU 95 3HB GLU 95 -6.067 19.514 3.591 738 HG2 GLU 95 2HG GLU 95 -8.353 19.065 4.217 739 HG3 GLU 95 3HG GLU 95 -8.006 17.358 4.486 740 H ARG 96 H ARG 96 -7.201 16.524 0.162 741 HA ARG 96 HA ARG 96 -7.798 14.062 1.505 742 HB2 ARG 96 2HB ARG 96 -8.112 13.097 -0.750 743 HB3 ARG 96 3HB ARG 96 -9.018 14.583 -0.530 744 HG2 ARG 96 2HG ARG 96 -7.389 15.811 -1.884 745 HG3 ARG 96 3HG ARG 96 -6.415 14.346 -2.059 746 HD2 ARG 96 2HD ARG 96 -9.208 14.853 -3.152 747 HD3 ARG 96 3HD ARG 96 -7.716 14.632 -4.068 748 HE ARG 96 HE ARG 96 -8.705 12.423 -2.386 749 HH11 ARG 96 1HH1 ARG 96 -8.119 13.636 -5.650 750 HH12 ARG 96 2HH1 ARG 96 -8.339 12.080 -6.381 751 HH21 ARG 96 1HH2 ARG 96 -8.968 10.423 -3.346 752 HH22 ARG 96 2HH2 ARG 96 -8.824 10.248 -5.069 753 H ASP 97 H ASP 97 -6.067 13.774 2.673 754 HA ASP 97 HA ASP 97 -3.467 13.677 2.455 755 HB2 ASP 97 2HB ASP 97 -3.505 11.629 4.021 756 HB3 ASP 97 3HB ASP 97 -4.368 13.070 4.534 757 H ASP 98 H ASP 98 -2.348 13.209 0.717 758 HA ASP 98 HA ASP 98 -2.532 10.598 -0.613 759 HB2 ASP 98 2HB ASP 98 -2.566 12.473 -2.167 760 HB3 ASP 98 3HB ASP 98 -1.175 13.218 -1.382 761 H THR 99 H THR 99 -1.187 9.140 0.197 762 HA THR 99 HA THR 99 1.423 9.964 1.298 763 HB THR 99 HB THR 99 -0.413 7.785 2.402 764 HG1 THR 99 HG1 THR 99 -1.050 9.957 2.911 765 HG21 THR 99 3HG2 THR 99 2.296 8.785 3.367 766 HG22 THR 99 1HG2 THR 99 1.974 7.202 2.646 767 HG23 THR 99 2HG2 THR 99 1.271 7.623 4.206 768 H GLU 100 H GLU 100 2.985 9.088 0.229 769 HA GLU 100 HA GLU 100 2.599 6.712 -1.458 770 HB2 GLU 100 2HB GLU 100 3.272 8.711 -2.723 771 HB3 GLU 100 3HB GLU 100 4.629 8.993 -1.632 772 HG2 GLU 100 2HG GLU 100 5.613 6.800 -2.378 773 HG3 GLU 100 3HG GLU 100 4.283 6.647 -3.525 774 H PHE 101 H PHE 101 3.350 4.956 -0.476 775 HA PHE 101 HA PHE 101 5.644 5.110 1.354 776 HB2 PHE 101 2HB PHE 101 3.753 2.801 0.725 777 HB3 PHE 101 3HB PHE 101 5.077 2.732 1.879 778 HD1 PHE 101 HD1 PHE 101 4.973 4.196 3.967 779 HD2 PHE 101 HD2 PHE 101 1.605 3.694 1.366 780 HE1 PHE 101 HE1 PHE 101 3.465 4.995 5.751 781 HE2 PHE 101 HE2 PHE 101 0.111 4.481 3.163 782 HZ PHE 101 HZ PHE 101 1.040 5.122 5.352 783 H GLN 102 H GLN 102 7.596 4.679 0.577 784 HA GLN 102 HA GLN 102 7.878 3.533 -2.145 785 HB2 GLN 102 2HB GLN 102 9.959 4.876 -2.332 786 HB3 GLN 102 3HB GLN 102 8.551 5.892 -2.059 787 HG2 GLN 102 2HG GLN 102 9.174 6.280 0.243 788 HG3 GLN 102 3HG GLN 102 10.446 5.064 0.155 789 HE21 GLN 102 1HE2 GLN 102 11.981 6.592 0.855 790 HE22 GLN 102 2HE2 GLN 102 12.577 7.833 -0.189 791 H HIS 103 H HIS 103 9.500 2.026 -2.526 792 HA HIS 103 HA HIS 103 11.436 1.289 -0.504 793 HB2 HIS 103 2HB HIS 103 9.282 0.032 0.128 794 HB3 HIS 103 3HB HIS 103 9.447 -0.865 -1.377 795 HD1 HIS 103 HD1 HIS 103 11.072 -2.841 -1.352 796 HD2 HIS 103 HD2 HIS 103 11.347 -0.445 2.026 797 HE1 HIS 103 HE1 HIS 103 12.678 -4.015 0.195 798 HE2 HIS 103 HE2 HIS 103 12.764 -2.582 2.250 799 HA PRO 104 HA PRO 104 13.627 0.743 -4.400 800 HB2 PRO 104 2HB PRO 104 15.859 -0.644 -3.477 801 HB3 PRO 104 3HB PRO 104 15.623 1.101 -3.282 802 HG2 PRO 104 2HG PRO 104 15.086 -1.090 -1.309 803 HG3 PRO 104 3HG PRO 104 15.885 0.480 -1.055 804 HD2 PRO 104 2HD PRO 104 13.324 0.111 -0.340 805 HD3 PRO 104 3HD PRO 104 13.860 1.660 -1.034 806 H CYS 105 H CYS 105 12.854 -2.070 -2.408 807 HA CYS 105 HA CYS 105 13.113 -3.894 -4.730 808 HB2 CYS 105 2HB CYS 105 12.898 -4.517 -1.761 809 HB3 CYS 105 3HB CYS 105 12.923 -5.743 -3.030 810 HG CYS 105 HG CYS 105 15.433 -4.219 -1.551 811 H PHE 106 H PHE 106 10.877 -1.894 -4.079 812 HA PHE 106 HA PHE 106 8.663 -3.795 -4.614 813 HB2 PHE 106 2HB PHE 106 8.248 -2.517 -2.505 814 HB3 PHE 106 3HB PHE 106 8.453 -1.003 -3.378 815 HD1 PHE 106 HD1 PHE 106 6.270 -4.004 -3.041 816 HD2 PHE 106 HD2 PHE 106 6.593 -0.041 -4.628 817 HE1 PHE 106 HE1 PHE 106 3.870 -4.018 -3.585 818 HE2 PHE 106 HE2 PHE 106 4.188 -0.067 -5.164 819 HZ PHE 106 HZ PHE 106 2.825 -2.054 -4.645 820 H LEU 107 H LEU 107 8.648 -3.815 -6.834 821 HA LEU 107 HA LEU 107 8.295 -1.214 -8.220 822 HB2 LEU 107 2HB LEU 107 9.104 -3.911 -9.367 823 HB3 LEU 107 3HB LEU 107 8.875 -2.447 -10.302 824 HG LEU 107 HG LEU 107 11.070 -2.939 -8.259 825 HD11 LEU 107 1HD1 LEU 107 11.208 -2.699 -11.279 826 HD12 LEU 107 2HD1 LEU 107 11.311 -4.200 -10.354 827 HD13 LEU 107 3HD1 LEU 107 12.562 -2.971 -10.176 828 HD21 LEU 107 3HD2 LEU 107 10.424 -0.575 -8.223 829 HD22 LEU 107 1HD2 LEU 107 10.571 -0.479 -9.982 830 HD23 LEU 107 2HD2 LEU 107 12.001 -0.763 -8.985 831 H ARG 108 H ARG 108 6.111 -0.898 -8.209 832 HA ARG 108 HA ARG 108 3.908 -1.089 -8.743 833 HB2 ARG 108 2HB ARG 108 5.028 -0.551 -10.857 834 HB3 ARG 108 3HB ARG 108 5.233 -2.259 -11.215 835 HG2 ARG 108 2HG ARG 108 2.804 -2.525 -11.443 836 HG3 ARG 108 3HG ARG 108 2.555 -0.836 -11.004 837 HD2 ARG 108 2HD ARG 108 3.732 -0.107 -13.027 838 HD3 ARG 108 3HD ARG 108 4.080 -1.787 -13.458 839 HE ARG 108 HE ARG 108 1.280 -1.358 -13.143 840 HH11 ARG 108 1HH1 ARG 108 3.900 -0.755 -15.408 841 HH12 ARG 108 2HH1 ARG 108 2.861 -0.720 -16.793 842 HH21 ARG 108 1HH2 ARG 108 -0.082 -1.312 -14.977 843 HH22 ARG 108 2HH2 ARG 108 0.605 -1.035 -16.545 844 H GLY 109 H GLY 109 4.822 -4.112 -10.423 845 HA2 GLY 109 2HA GLY 109 2.899 -5.684 -8.796 846 HA3 GLY 109 3HA GLY 109 2.757 -5.632 -10.548 847 H GLN 110 H GLN 110 5.868 -5.633 -8.964 848 HA GLN 110 HA GLN 110 6.535 -8.252 -10.083 849 HB2 GLN 110 2HB GLN 110 8.184 -5.968 -8.969 850 HB3 GLN 110 3HB GLN 110 8.864 -7.588 -8.951 851 HG2 GLN 110 2HG GLN 110 9.720 -6.843 -10.939 852 HG3 GLN 110 3HG GLN 110 8.229 -7.562 -11.521 853 HE21 GLN 110 1HE2 GLN 110 6.613 -5.212 -10.595 854 HE22 GLN 110 2HE2 GLN 110 6.953 -3.962 -11.715 855 H GLU 111 H GLU 111 5.276 -9.527 -8.771 856 HA GLU 111 HA GLU 111 5.107 -9.392 -5.966 857 HB2 GLU 111 2HB GLU 111 3.850 -11.443 -6.052 858 HB3 GLU 111 3HB GLU 111 3.378 -10.445 -7.414 859 HG2 GLU 111 2HG GLU 111 5.126 -12.908 -7.475 860 HG3 GLU 111 3HG GLU 111 3.487 -12.757 -8.093 861 H GLN 112 H GLN 112 7.472 -10.975 -8.044 862 HA GLN 112 HA GLN 112 8.528 -12.775 -6.100 863 HB2 GLN 112 2HB GLN 112 10.341 -13.194 -7.580 864 HB3 GLN 112 3HB GLN 112 8.945 -12.953 -8.610 865 HG2 GLN 112 2HG GLN 112 10.910 -10.713 -8.089 866 HG3 GLN 112 3HG GLN 112 11.226 -11.945 -9.305 867 HE21 GLN 112 1HE2 GLN 112 11.224 -10.440 -10.993 868 HE22 GLN 112 2HE2 GLN 112 9.783 -9.663 -11.549 869 H LEU 113 H LEU 113 8.838 -9.360 -6.510 870 HA LEU 113 HA LEU 113 11.343 -9.145 -5.008 871 HB2 LEU 113 2HB LEU 113 9.563 -7.035 -6.275 872 HB3 LEU 113 3HB LEU 113 11.041 -6.671 -5.402 873 HG LEU 113 HG LEU 113 10.842 -8.230 -8.013 874 HD11 LEU 113 1HD1 LEU 113 12.021 -5.484 -7.458 875 HD12 LEU 113 2HD1 LEU 113 10.507 -5.813 -8.302 876 HD13 LEU 113 3HD1 LEU 113 12.034 -6.331 -9.008 877 HD21 LEU 113 3HD2 LEU 113 13.315 -7.552 -6.383 878 HD22 LEU 113 1HD2 LEU 113 13.312 -8.261 -8.002 879 HD23 LEU 113 2HD2 LEU 113 12.639 -9.161 -6.647 880 H LEU 114 H LEU 114 7.982 -9.216 -4.363 881 HA LEU 114 HA LEU 114 7.831 -7.643 -2.015 882 HB2 LEU 114 2HB LEU 114 6.241 -10.122 -2.757 883 HB3 LEU 114 3HB LEU 114 5.835 -9.034 -1.441 884 HG LEU 114 HG LEU 114 5.858 -8.255 -4.384 885 HD11 LEU 114 1HD1 LEU 114 3.421 -8.292 -4.238 886 HD12 LEU 114 2HD1 LEU 114 3.504 -8.845 -2.564 887 HD13 LEU 114 3HD1 LEU 114 4.092 -9.878 -3.869 888 HD21 LEU 114 3HD2 LEU 114 4.728 -6.196 -3.638 889 HD22 LEU 114 1HD2 LEU 114 6.335 -6.338 -2.930 890 HD23 LEU 114 2HD2 LEU 114 4.908 -6.693 -1.954 891 H GLU 115 H GLU 115 8.892 -10.982 -2.561 892 HA GLU 115 HA GLU 115 9.212 -11.534 0.283 893 HB2 GLU 115 2HB GLU 115 10.129 -13.692 -0.377 894 HB3 GLU 115 3HB GLU 115 8.604 -13.381 -1.195 895 HG2 GLU 115 2HG GLU 115 9.690 -12.990 -3.290 896 HG3 GLU 115 3HG GLU 115 11.282 -12.907 -2.535 897 H ASN 116 H ASN 116 10.974 -9.728 -1.875 898 HA ASN 116 HA ASN 116 13.590 -10.145 -0.619 899 HB2 ASN 116 2HB ASN 116 12.654 -8.023 -2.617 900 HB3 ASN 116 3HB ASN 116 14.306 -8.217 -2.049 901 HD21 ASN 116 1HD2 ASN 116 12.174 -10.945 -2.967 902 HD22 ASN 116 2HD2 ASN 116 13.068 -11.368 -4.374 903 H ILE 117 H ILE 117 10.719 -8.260 -0.248 904 HA ILE 117 HA ILE 117 11.854 -6.035 1.240 905 HB ILE 117 HB ILE 117 8.925 -6.864 0.888 906 HG12 ILE 117 2HG1 ILE 117 10.512 -4.823 -0.735 907 HG13 ILE 117 3HG1 ILE 117 10.011 -6.409 -1.302 908 HG21 ILE 117 1HG2 ILE 117 8.381 -4.548 1.518 909 HG22 ILE 117 2HG2 ILE 117 10.090 -4.199 1.772 910 HG23 ILE 117 3HG2 ILE 117 9.264 -5.367 2.806 911 HD11 ILE 117 3HD1 ILE 117 7.661 -5.743 -1.074 912 HD12 ILE 117 1HD1 ILE 117 8.565 -4.711 -2.180 913 HD13 ILE 117 2HD1 ILE 117 8.182 -4.135 -0.559 914 H LYS 118 H LYS 118 12.554 -6.469 3.346 915 HA LYS 118 HA LYS 118 11.268 -8.713 4.794 916 HB2 LYS 118 2HB LYS 118 14.139 -7.710 5.029 917 HB3 LYS 118 3HB LYS 118 13.449 -9.017 5.970 918 HG2 LYS 118 2HG LYS 118 13.771 -9.101 2.954 919 HG3 LYS 118 3HG LYS 118 14.963 -9.720 4.087 920 HD2 LYS 118 2HD LYS 118 13.777 -11.649 3.418 921 HD3 LYS 118 3HD LYS 118 13.074 -11.249 4.980 922 HE2 LYS 118 2HE LYS 118 11.161 -10.189 3.819 923 HE3 LYS 118 3HE LYS 118 11.872 -10.619 2.270 924 HZ1 LYS 118 3HZ LYS 118 11.062 -12.592 4.343 925 HZ2 LYS 118 1HZ LYS 118 11.586 -12.930 2.779 926 HZ3 LYS 118 2HZ LYS 118 10.108 -12.153 3.021 927 H ARG 119 H ARG 119 10.654 -8.452 6.856 928 HA ARG 119 HA ARG 119 10.099 -5.753 7.756 929 HB2 ARG 119 2HB ARG 119 8.819 -6.898 9.584 930 HB3 ARG 119 3HB ARG 119 8.318 -7.364 7.965 931 HG2 ARG 119 2HG ARG 119 9.568 -9.472 8.166 932 HG3 ARG 119 3HG ARG 119 10.109 -9.001 9.780 933 HD2 ARG 119 2HD ARG 119 7.225 -9.468 8.940 934 HD3 ARG 119 3HD ARG 119 8.220 -10.570 9.899 935 HE ARG 119 HE ARG 119 8.288 -8.238 11.311 936 HH11 ARG 119 1HH1 ARG 119 5.635 -10.268 10.169 937 HH12 ARG 119 2HH1 ARG 119 4.578 -9.814 11.464 938 HH21 ARG 119 1HH2 ARG 119 6.889 -7.648 12.980 939 HH22 ARG 119 2HH2 ARG 119 5.293 -8.320 13.066 940 H LYS 120 H LYS 120 12.294 -8.358 8.603 941 HA LYS 120 HA LYS 120 13.541 -6.742 10.759 942 HB2 LYS 120 2HB LYS 120 12.983 -9.750 10.820 943 HB3 LYS 120 3HB LYS 120 13.860 -8.846 12.051 944 HG2 LYS 120 2HG LYS 120 11.828 -7.646 12.685 945 HG3 LYS 120 3HG LYS 120 10.947 -8.400 11.351 946 HD2 LYS 120 2HD LYS 120 10.416 -9.523 13.479 947 HD3 LYS 120 3HD LYS 120 11.247 -10.622 12.376 948 HE2 LYS 120 2HE LYS 120 13.377 -10.187 13.595 949 HE3 LYS 120 3HE LYS 120 12.493 -9.162 14.729 950 HZ1 LYS 120 3HZ LYS 120 12.030 -12.062 14.273 951 HZ2 LYS 120 1HZ LYS 120 11.155 -11.086 15.341 952 HZ3 LYS 120 2HZ LYS 120 12.797 -11.374 15.612 953 H VAL 121 H VAL 121 15.702 -7.959 11.384 954 HA VAL 121 HA VAL 121 17.356 -8.489 9.068 955 HB VAL 121 HB VAL 121 17.983 -8.927 12.037 956 HG11 VAL 121 1HG1 VAL 121 19.890 -8.754 9.664 957 HG12 VAL 121 2HG1 VAL 121 19.494 -10.214 10.576 958 HG13 VAL 121 3HG1 VAL 121 20.362 -8.894 11.361 959 HG21 VAL 121 3HG2 VAL 121 19.128 -6.741 11.973 960 HG22 VAL 121 1HG2 VAL 121 17.414 -6.571 11.592 961 HG23 VAL 121 2HG2 VAL 121 18.616 -6.506 10.301 962 H THR 122 H THR 122 16.310 -10.422 11.920 963 HA THR 122 HA THR 122 16.652 -12.970 10.633 964 HB THR 122 HB THR 122 15.227 -13.793 12.624 965 HG1 THR 122 HG1 THR 122 15.496 -11.807 14.277 966 HG21 THR 122 3HG2 THR 122 17.029 -13.506 14.272 967 HG22 THR 122 1HG2 THR 122 17.735 -12.214 13.300 968 HG23 THR 122 2HG2 THR 122 17.703 -13.867 12.683 969 H SER 123 H SER 123 15.549 -12.849 8.718 970 HA SER 123 HA SER 123 12.659 -13.232 8.818 971 HB2 SER 123 2HB SER 123 14.002 -11.045 7.159 972 HB3 SER 123 3HB SER 123 12.358 -11.612 6.869 973 HG SER 123 HG SER 123 12.469 -11.083 9.422 974 H VAL 124 H VAL 124 14.539 -15.175 8.560 975 HA VAL 124 HA VAL 124 15.211 -15.952 5.938 976 HB VAL 124 HB VAL 124 15.320 -18.307 6.801 977 HG11 VAL 124 1HG1 VAL 124 17.164 -17.931 8.403 978 HG12 VAL 124 2HG1 VAL 124 16.658 -16.253 8.608 979 HG13 VAL 124 3HG1 VAL 124 17.254 -16.809 7.045 980 HG21 VAL 124 3HG2 VAL 124 14.909 -18.790 9.191 981 HG22 VAL 124 1HG2 VAL 124 13.430 -18.279 8.374 982 HG23 VAL 124 2HG2 VAL 124 14.291 -17.153 9.424 983 H SER 125 H SER 125 14.113 -17.148 4.369 984 HA SER 125 HA SER 125 12.414 -17.319 2.929 985 HB2 SER 125 2HB SER 125 10.689 -17.712 5.400 986 HB3 SER 125 3HB SER 125 10.055 -17.791 3.758 987 HG SER 125 HG SER 125 11.389 -19.524 3.340 Start of MODEL 7 1 H1 MET 1 1H MET 1 -17.363 -18.427 24.486 2 H2 MET 1 2H MET 1 -17.426 -19.769 25.507 3 H3 MET 1 3H MET 1 -18.767 -18.752 25.368 4 HA MET 1 HA MET 1 -19.101 -20.785 24.151 5 HB2 MET 1 2HB MET 1 -18.725 -18.323 22.392 6 HB3 MET 1 3HB MET 1 -19.674 -19.734 21.934 7 HG2 MET 1 2HG MET 1 -21.244 -19.294 23.770 8 HG3 MET 1 3HG MET 1 -20.268 -17.915 24.290 9 HE1 MET 1 3HE MET 1 -23.462 -16.167 22.797 10 HE2 MET 1 1HE MET 1 -22.409 -16.309 24.205 11 HE3 MET 1 2HE MET 1 -23.412 -17.674 23.710 12 H GLY 2 H GLY 2 -15.945 -19.759 24.109 13 HA2 GLY 2 2HA GLY 2 -14.245 -21.392 23.549 14 HA3 GLY 2 3HA GLY 2 -15.144 -21.801 22.095 15 H HIS 3 H HIS 3 -12.348 -20.626 22.761 16 HA HIS 3 HA HIS 3 -12.386 -18.137 21.166 17 HB2 HIS 3 2HB HIS 3 -10.120 -19.436 22.753 18 HB3 HIS 3 3HB HIS 3 -9.999 -17.907 21.889 19 HD1 HIS 3 HD1 HIS 3 -9.597 -18.397 25.002 20 HD2 HIS 3 HD2 HIS 3 -12.949 -16.760 23.179 21 HE1 HIS 3 HE1 HIS 3 -10.693 -16.975 26.749 22 HE2 HIS 3 HE2 HIS 3 -12.668 -15.922 25.601 23 H HIS 4 H HIS 4 -11.248 -17.944 19.252 24 HA HIS 4 HA HIS 4 -10.359 -20.306 17.835 25 HB2 HIS 4 2HB HIS 4 -10.184 -17.343 17.114 26 HB3 HIS 4 3HB HIS 4 -9.696 -18.656 16.041 27 HD1 HIS 4 HD1 HIS 4 -12.244 -16.476 15.897 28 HD2 HIS 4 HD2 HIS 4 -12.284 -20.601 16.379 29 HE1 HIS 4 HE1 HIS 4 -14.516 -17.233 15.152 30 HE2 HIS 4 HE2 HIS 4 -14.546 -19.715 15.521 31 H HIS 5 H HIS 5 -8.376 -21.134 17.927 32 HA HIS 5 HA HIS 5 -6.594 -20.256 19.982 33 HB2 HIS 5 2HB HIS 5 -6.391 -22.561 18.005 34 HB3 HIS 5 3HB HIS 5 -5.271 -22.308 19.337 35 HD1 HIS 5 HD1 HIS 5 -5.790 -23.699 21.293 36 HD2 HIS 5 HD2 HIS 5 -9.239 -22.785 19.162 37 HE1 HIS 5 HE1 HIS 5 -7.651 -24.894 22.470 38 HE2 HIS 5 HE2 HIS 5 -9.714 -24.380 21.130 39 H HIS 6 H HIS 6 -6.816 -19.305 16.769 40 HA HIS 6 HA HIS 6 -5.683 -17.775 15.572 41 HB2 HIS 6 2HB HIS 6 -3.840 -17.576 17.986 42 HB3 HIS 6 3HB HIS 6 -3.779 -16.486 16.605 43 HD1 HIS 6 HD1 HIS 6 -6.223 -15.199 16.177 44 HD2 HIS 6 HD2 HIS 6 -5.373 -16.584 20.008 45 HE1 HIS 6 HE1 HIS 6 -7.718 -13.911 17.720 46 HE2 HIS 6 HE2 HIS 6 -7.288 -14.861 20.008 47 H HIS 7 H HIS 7 -4.819 -20.741 15.805 48 HA HIS 7 HA HIS 7 -2.001 -20.640 15.027 49 HB2 HIS 7 2HB HIS 7 -3.846 -22.979 15.655 50 HB3 HIS 7 3HB HIS 7 -2.172 -23.173 15.138 51 HD1 HIS 7 HD1 HIS 7 -3.902 -23.422 18.112 52 HD2 HIS 7 HD2 HIS 7 -0.556 -21.235 17.010 53 HE1 HIS 7 HE1 HIS 7 -2.722 -22.858 20.249 54 HE2 HIS 7 HE2 HIS 7 -0.585 -21.752 19.527 55 H HIS 8 H HIS 8 -1.653 -20.133 13.014 56 HA HIS 8 HA HIS 8 -2.576 -22.001 10.933 57 HB2 HIS 8 2HB HIS 8 -2.534 -20.127 9.262 58 HB3 HIS 8 3HB HIS 8 -3.800 -19.937 10.462 59 HD1 HIS 8 HD1 HIS 8 -3.790 -17.840 11.859 60 HD2 HIS 8 HD2 HIS 8 -0.347 -18.242 9.567 61 HE1 HIS 8 HE1 HIS 8 -2.627 -15.625 11.977 62 HE2 HIS 8 HE2 HIS 8 -0.704 -15.829 10.390 63 H SER 9 H SER 9 -0.935 -22.328 9.265 64 HA SER 9 HA SER 9 1.600 -22.725 10.444 65 HB2 SER 9 2HB SER 9 0.624 -24.229 8.703 66 HB3 SER 9 3HB SER 9 0.860 -22.966 7.493 67 HG SER 9 HG SER 9 2.636 -24.199 7.338 68 H HIS 10 H HIS 10 3.143 -21.261 10.743 69 HA HIS 10 HA HIS 10 3.627 -19.106 8.752 70 HB2 HIS 10 2HB HIS 10 4.471 -17.689 10.530 71 HB3 HIS 10 3HB HIS 10 2.882 -18.259 11.002 72 HD1 HIS 10 HD1 HIS 10 6.366 -18.100 12.122 73 HD2 HIS 10 HD2 HIS 10 2.974 -20.280 13.127 74 HE1 HIS 10 HE1 HIS 10 6.849 -19.103 14.366 75 HE2 HIS 10 HE2 HIS 10 4.839 -20.517 14.899 76 H MET 11 H MET 11 5.813 -18.806 8.084 77 HA MET 11 HA MET 11 7.839 -20.729 8.935 78 HB2 MET 11 2HB MET 11 8.043 -21.761 6.668 79 HB3 MET 11 3HB MET 11 6.505 -22.125 7.434 80 HG2 MET 11 2HG MET 11 5.368 -20.494 6.031 81 HG3 MET 11 3HG MET 11 6.901 -19.982 5.330 82 HE1 MET 11 3HE MET 11 8.363 -21.481 3.691 83 HE2 MET 11 1HE MET 11 7.918 -23.114 3.193 84 HE3 MET 11 2HE MET 11 8.415 -22.807 4.856 85 H ALA 12 H ALA 12 9.725 -20.625 7.237 86 HA ALA 12 HA ALA 12 10.135 -18.061 5.926 87 HB1 ALA 12 3HB ALA 12 11.984 -18.964 8.186 88 HB2 ALA 12 1HB ALA 12 10.909 -17.564 8.228 89 HB3 ALA 12 2HB ALA 12 12.273 -17.595 7.110 90 H GLY 13 H GLY 13 10.493 -19.000 3.950 91 HA2 GLY 13 2HA GLY 13 12.794 -20.634 3.435 92 HA3 GLY 13 3HA GLY 13 11.318 -21.584 3.414 93 HA PRO 14 HA PRO 14 11.830 -20.628 -1.024 94 HB2 PRO 14 2HB PRO 14 9.159 -22.037 -1.174 95 HB3 PRO 14 3HB PRO 14 10.644 -22.339 -2.103 96 HG2 PRO 14 2HG PRO 14 9.947 -24.015 -0.174 97 HG3 PRO 14 3HG PRO 14 11.653 -23.542 -0.374 98 HD2 PRO 14 2HD PRO 14 9.655 -22.545 1.656 99 HD3 PRO 14 3HD PRO 14 11.368 -22.967 1.875 100 H SER 15 H SER 15 11.471 -18.625 -1.686 101 HA SER 15 HA SER 15 10.737 -16.572 -1.961 102 HB2 SER 15 2HB SER 15 8.411 -16.214 -2.824 103 HB3 SER 15 3HB SER 15 9.304 -17.469 -3.667 104 HG SER 15 HG SER 15 8.117 -19.019 -2.602 105 H ASN 16 H ASN 16 7.758 -17.674 -0.342 106 HA ASN 16 HA ASN 16 6.572 -16.931 1.398 107 HB2 ASN 16 2HB ASN 16 9.330 -16.415 2.563 108 HB3 ASN 16 3HB ASN 16 7.872 -16.048 3.470 109 HD21 ASN 16 1HD2 ASN 16 8.352 -18.847 1.341 110 HD22 ASN 16 2HD2 ASN 16 8.175 -20.015 2.590 111 H VAL 17 H VAL 17 6.075 -15.341 -0.423 112 HA VAL 17 HA VAL 17 6.348 -12.559 0.361 113 HB VAL 17 HB VAL 17 4.200 -13.794 -1.443 114 HG11 VAL 17 1HG1 VAL 17 4.013 -11.535 -2.415 115 HG12 VAL 17 2HG1 VAL 17 5.234 -10.936 -1.293 116 HG13 VAL 17 3HG1 VAL 17 3.674 -11.500 -0.681 117 HG21 VAL 17 3HG2 VAL 17 6.427 -14.374 -2.342 118 HG22 VAL 17 1HG2 VAL 17 6.893 -12.670 -2.303 119 HG23 VAL 17 2HG2 VAL 17 5.604 -13.210 -3.385 120 HA PRO 18 HA PRO 18 3.402 -13.334 3.811 121 HB2 PRO 18 2HB PRO 18 3.358 -10.334 3.934 122 HB3 PRO 18 3HB PRO 18 3.746 -11.500 5.215 123 HG2 PRO 18 2HG PRO 18 5.657 -10.015 4.063 124 HG3 PRO 18 3HG PRO 18 5.956 -11.688 4.580 125 HD2 PRO 18 2HD PRO 18 5.500 -10.635 1.800 126 HD3 PRO 18 3HD PRO 18 6.595 -11.924 2.355 127 H ALA 19 H ALA 19 1.136 -13.257 3.924 128 HA ALA 19 HA ALA 19 -0.422 -12.823 1.671 129 HB1 ALA 19 3HB ALA 19 -1.217 -14.150 3.590 130 HB2 ALA 19 1HB ALA 19 -2.391 -12.913 3.140 131 HB3 ALA 19 2HB ALA 19 -1.364 -12.683 4.561 132 H PHE 20 H PHE 20 0.389 -10.527 4.296 133 HA PHE 20 HA PHE 20 -1.047 -8.308 3.635 134 HB2 PHE 20 2HB PHE 20 0.560 -8.519 5.556 135 HB3 PHE 20 3HB PHE 20 1.899 -8.336 4.429 136 HD1 PHE 20 HD1 PHE 20 2.313 -6.129 3.322 137 HD2 PHE 20 HD2 PHE 20 -0.743 -6.598 6.277 138 HE1 PHE 20 HE1 PHE 20 2.172 -3.707 3.566 139 HE2 PHE 20 HE2 PHE 20 -0.873 -4.155 6.510 140 HZ PHE 20 HZ PHE 20 0.584 -2.706 5.155 141 H LEU 21 H LEU 21 2.047 -9.311 2.037 142 HA LEU 21 HA LEU 21 2.110 -6.884 0.414 143 HB2 LEU 21 2HB LEU 21 3.979 -9.282 0.501 144 HB3 LEU 21 3HB LEU 21 4.223 -7.888 -0.544 145 HG LEU 21 HG LEU 21 4.301 -7.868 2.506 146 HD11 LEU 21 1HD1 LEU 21 6.526 -7.502 0.478 147 HD12 LEU 21 2HD1 LEU 21 6.270 -8.917 1.502 148 HD13 LEU 21 3HD1 LEU 21 6.685 -7.371 2.235 149 HD21 LEU 21 3HD2 LEU 21 4.995 -5.517 2.323 150 HD22 LEU 21 1HD2 LEU 21 3.378 -5.752 1.666 151 HD23 LEU 21 2HD2 LEU 21 4.753 -5.565 0.573 152 H THR 22 H THR 22 1.397 -10.261 0.101 153 HA THR 22 HA THR 22 1.029 -10.590 -2.631 154 HB THR 22 HB THR 22 -0.412 -11.869 -0.264 155 HG1 THR 22 HG1 THR 22 1.484 -12.730 0.023 156 HG21 THR 22 3HG2 THR 22 -0.146 -12.888 -3.093 157 HG22 THR 22 1HG2 THR 22 -1.636 -12.300 -2.355 158 HG23 THR 22 2HG2 THR 22 -0.864 -13.763 -1.742 159 H LYS 23 H LYS 23 -1.341 -9.682 -0.129 160 HA LYS 23 HA LYS 23 -3.529 -9.154 -1.846 161 HB2 LYS 23 2HB LYS 23 -2.969 -8.157 0.970 162 HB3 LYS 23 3HB LYS 23 -4.493 -7.914 0.134 163 HG2 LYS 23 2HG LYS 23 -3.387 -10.666 0.763 164 HG3 LYS 23 3HG LYS 23 -4.394 -9.764 1.888 165 HD2 LYS 23 2HD LYS 23 -5.916 -11.201 0.841 166 HD3 LYS 23 3HD LYS 23 -6.148 -9.689 -0.031 167 HE2 LYS 23 2HE LYS 23 -4.907 -10.532 -1.927 168 HE3 LYS 23 3HE LYS 23 -4.386 -11.951 -1.018 169 HZ1 LYS 23 3HZ LYS 23 -6.595 -12.778 -0.984 170 HZ2 LYS 23 1HZ LYS 23 -6.235 -12.366 -2.582 171 HZ3 LYS 23 2HZ LYS 23 -7.218 -11.358 -1.651 172 H LEU 24 H LEU 24 -1.070 -7.071 -0.321 173 HA LEU 24 HA LEU 24 -1.979 -4.554 -1.062 174 HB2 LEU 24 2HB LEU 24 -0.169 -4.943 0.567 175 HB3 LEU 24 3HB LEU 24 0.895 -5.485 -0.718 176 HG LEU 24 HG LEU 24 0.829 -3.178 -1.714 177 HD11 LEU 24 1HD1 LEU 24 -1.347 -2.448 -0.889 178 HD12 LEU 24 2HD1 LEU 24 -0.086 -1.308 -0.426 179 HD13 LEU 24 3HD1 LEU 24 -0.735 -2.434 0.769 180 HD21 LEU 24 3HD2 LEU 24 2.669 -3.809 -0.219 181 HD22 LEU 24 1HD2 LEU 24 1.741 -3.255 1.178 182 HD23 LEU 24 2HD2 LEU 24 2.271 -2.101 -0.050 183 H TRP 25 H TRP 25 0.332 -6.645 -2.823 184 HA TRP 25 HA TRP 25 0.896 -5.050 -5.021 185 HB2 TRP 25 2HB TRP 25 2.087 -7.145 -4.437 186 HB3 TRP 25 3HB TRP 25 0.672 -8.090 -4.880 187 HD1 TRP 25 HD1 TRP 25 3.127 -5.611 -6.658 188 HE1 TRP 25 HE1 TRP 25 3.497 -6.474 -9.050 189 HE3 TRP 25 HE3 TRP 25 -0.017 -9.647 -6.585 190 HZ2 TRP 25 HZ2 TRP 25 2.597 -8.564 -10.690 191 HZ3 TRP 25 HZ3 TRP 25 -0.203 -11.037 -8.614 192 HH2 TRP 25 HH2 TRP 25 1.080 -10.503 -10.628 193 H THR 26 H THR 26 -1.691 -7.437 -4.640 194 HA THR 26 HA THR 26 -2.968 -7.064 -7.159 195 HB THR 26 HB THR 26 -4.073 -8.245 -4.570 196 HG1 THR 26 HG1 THR 26 -2.023 -9.094 -5.816 197 HG21 THR 26 3HG2 THR 26 -5.861 -7.838 -6.234 198 HG22 THR 26 1HG2 THR 26 -5.570 -9.566 -6.021 199 HG23 THR 26 2HG2 THR 26 -4.941 -8.735 -7.445 200 H LEU 27 H LEU 27 -3.149 -5.345 -4.142 201 HA LEU 27 HA LEU 27 -5.793 -4.246 -4.437 202 HB2 LEU 27 2HB LEU 27 -4.913 -4.728 -2.238 203 HB3 LEU 27 3HB LEU 27 -3.475 -3.767 -2.533 204 HG LEU 27 HG LEU 27 -4.791 -1.702 -2.463 205 HD11 LEU 27 1HD1 LEU 27 -7.217 -3.400 -1.869 206 HD12 LEU 27 2HD1 LEU 27 -6.877 -2.660 -3.432 207 HD13 LEU 27 3HD1 LEU 27 -7.138 -1.646 -2.024 208 HD21 LEU 27 3HD2 LEU 27 -5.356 -3.493 -0.079 209 HD22 LEU 27 1HD2 LEU 27 -5.403 -1.726 -0.088 210 HD23 LEU 27 2HD2 LEU 27 -3.878 -2.566 -0.356 211 H VAL 28 H VAL 28 -2.486 -3.058 -4.660 212 HA VAL 28 HA VAL 28 -2.832 -0.451 -5.529 213 HB VAL 28 HB VAL 28 -0.632 -2.488 -6.117 214 HG11 VAL 28 1HG1 VAL 28 -0.471 -0.692 -7.764 215 HG12 VAL 28 2HG1 VAL 28 0.859 -0.592 -6.610 216 HG13 VAL 28 3HG1 VAL 28 -0.510 0.516 -6.477 217 HG21 VAL 28 3HG2 VAL 28 -0.723 -0.272 -4.029 218 HG22 VAL 28 1HG2 VAL 28 0.610 -1.405 -4.288 219 HG23 VAL 28 2HG2 VAL 28 -0.948 -1.990 -3.706 220 H SER 29 H SER 29 -3.251 -3.451 -7.285 221 HA SER 29 HA SER 29 -3.415 -2.112 -9.906 222 HB2 SER 29 2HB SER 29 -3.342 -4.428 -10.831 223 HB3 SER 29 3HB SER 29 -1.955 -4.085 -9.798 224 HG SER 29 HG SER 29 -4.272 -5.366 -8.799 225 H ASP 30 H ASP 30 -5.561 -2.664 -7.466 226 HA ASP 30 HA ASP 30 -7.648 -4.118 -8.865 227 HB2 ASP 30 2HB ASP 30 -7.297 -4.415 -6.434 228 HB3 ASP 30 3HB ASP 30 -7.655 -2.716 -6.167 229 HA PRO 31 HA PRO 31 -9.323 -0.232 -10.609 230 HB2 PRO 31 2HB PRO 31 -11.379 -1.334 -12.050 231 HB3 PRO 31 3HB PRO 31 -9.683 -1.461 -12.573 232 HG2 PRO 31 2HG PRO 31 -11.353 -3.488 -11.104 233 HG3 PRO 31 3HG PRO 31 -10.276 -3.723 -12.501 234 HD2 PRO 31 2HD PRO 31 -9.488 -4.307 -9.963 235 HD3 PRO 31 3HD PRO 31 -8.344 -3.719 -11.189 236 H ASP 32 H ASP 32 -10.935 -2.423 -8.428 237 HA ASP 32 HA ASP 32 -13.324 -0.865 -8.019 238 HB2 ASP 32 2HB ASP 32 -13.253 -3.249 -7.365 239 HB3 ASP 32 3HB ASP 32 -12.006 -2.907 -6.177 240 H THR 33 H THR 33 -10.078 -0.859 -6.705 241 HA THR 33 HA THR 33 -10.772 1.292 -4.762 242 HB THR 33 HB THR 33 -8.866 0.438 -3.383 243 HG1 THR 33 HG1 THR 33 -7.584 -0.591 -4.877 244 HG21 THR 33 3HG2 THR 33 -9.895 -1.645 -2.563 245 HG22 THR 33 1HG2 THR 33 -10.889 -1.744 -4.022 246 HG23 THR 33 2HG2 THR 33 -11.135 -0.425 -2.872 247 H ASP 34 H ASP 34 -9.608 1.227 -7.715 248 HA ASP 34 HA ASP 34 -6.865 1.876 -7.632 249 HB2 ASP 34 2HB ASP 34 -7.036 2.448 -9.967 250 HB3 ASP 34 3HB ASP 34 -8.118 1.095 -9.677 251 H ALA 35 H ALA 35 -9.703 3.913 -7.335 252 HA ALA 35 HA ALA 35 -8.322 6.414 -7.570 253 HB1 ALA 35 3HB ALA 35 -10.436 7.409 -6.852 254 HB2 ALA 35 1HB ALA 35 -11.046 5.821 -6.401 255 HB3 ALA 35 2HB ALA 35 -10.700 6.182 -8.093 256 H LEU 36 H LEU 36 -8.642 4.186 -4.919 257 HA LEU 36 HA LEU 36 -7.808 6.248 -2.960 258 HB2 LEU 36 2HB LEU 36 -8.946 3.466 -2.495 259 HB3 LEU 36 3HB LEU 36 -8.438 4.571 -1.224 260 HG LEU 36 HG LEU 36 -10.810 4.899 -3.105 261 HD11 LEU 36 1HD1 LEU 36 -10.713 4.698 -0.086 262 HD12 LEU 36 2HD1 LEU 36 -11.147 3.384 -1.188 263 HD13 LEU 36 3HD1 LEU 36 -12.154 4.826 -1.103 264 HD21 LEU 36 3HD2 LEU 36 -11.288 7.023 -1.974 265 HD22 LEU 36 1HD2 LEU 36 -9.754 7.090 -2.833 266 HD23 LEU 36 2HD2 LEU 36 -9.772 6.908 -1.075 267 H ILE 37 H ILE 37 -6.739 3.498 -4.763 268 HA ILE 37 HA ILE 37 -4.035 3.930 -3.876 269 HB ILE 37 HB ILE 37 -4.761 2.398 -2.115 270 HG12 ILE 37 2HG1 ILE 37 -2.929 0.923 -4.059 271 HG13 ILE 37 3HG1 ILE 37 -2.420 2.216 -2.980 272 HG21 ILE 37 1HG2 ILE 37 -5.487 0.397 -4.271 273 HG22 ILE 37 2HG2 ILE 37 -6.626 1.291 -3.260 274 HG23 ILE 37 3HG2 ILE 37 -5.531 0.117 -2.530 275 HD11 ILE 37 3HD1 ILE 37 -1.791 0.076 -2.077 276 HD12 ILE 37 1HD1 ILE 37 -3.458 -0.495 -2.144 277 HD13 ILE 37 2HD1 ILE 37 -3.013 0.813 -1.045 278 H CYS 38 H CYS 38 -2.842 3.889 -5.640 279 HA CYS 38 HA CYS 38 -3.004 1.758 -7.585 280 HB2 CYS 38 2HB CYS 38 -4.686 3.390 -8.454 281 HB3 CYS 38 3HB CYS 38 -3.437 4.629 -8.519 282 HG CYS 38 HG CYS 38 -3.377 1.722 -10.325 283 H TRP 39 H TRP 39 -1.205 1.798 -9.077 284 HA TRP 39 HA TRP 39 1.225 2.405 -7.644 285 HB2 TRP 39 2HB TRP 39 2.322 1.319 -9.750 286 HB3 TRP 39 3HB TRP 39 1.315 0.299 -8.737 287 HD1 TRP 39 HD1 TRP 39 -1.061 -0.520 -9.767 288 HE1 TRP 39 HE1 TRP 39 -1.917 -0.664 -12.184 289 HE3 TRP 39 HE3 TRP 39 2.436 2.430 -12.058 290 HZ2 TRP 39 HZ2 TRP 39 -1.215 0.327 -14.725 291 HZ3 TRP 39 HZ3 TRP 39 2.280 2.775 -14.487 292 HH2 TRP 39 HH2 TRP 39 0.490 1.744 -15.798 293 H SER 40 H SER 40 2.964 3.637 -8.393 294 HA SER 40 HA SER 40 2.390 6.008 -9.936 295 HB2 SER 40 2HB SER 40 5.029 4.982 -8.774 296 HB3 SER 40 3HB SER 40 4.691 6.629 -9.310 297 HG SER 40 HG SER 40 2.893 5.748 -7.465 298 HA PRO 41 HA PRO 41 3.334 4.296 -13.966 299 HB2 PRO 41 2HB PRO 41 4.790 6.868 -14.554 300 HB3 PRO 41 3HB PRO 41 3.467 6.088 -15.450 301 HG2 PRO 41 2HG PRO 41 2.950 8.223 -13.958 302 HG3 PRO 41 3HG PRO 41 1.822 6.849 -13.978 303 HD2 PRO 41 2HD PRO 41 3.834 7.593 -11.867 304 HD3 PRO 41 3HD PRO 41 2.168 7.000 -11.680 305 H SER 42 H SER 42 6.039 5.643 -12.111 306 HA SER 42 HA SER 42 8.132 4.406 -13.663 307 HB2 SER 42 2HB SER 42 8.191 5.542 -10.841 308 HB3 SER 42 3HB SER 42 9.610 5.076 -11.778 309 HG SER 42 HG SER 42 9.369 6.778 -13.047 310 H GLY 43 H GLY 43 6.115 3.428 -10.970 311 HA2 GLY 43 2HA GLY 43 5.581 1.202 -10.506 312 HA3 GLY 43 3HA GLY 43 7.083 0.675 -11.242 313 H ASN 44 H ASN 44 7.910 3.189 -9.231 314 HA ASN 44 HA ASN 44 9.337 1.355 -7.498 315 HB2 ASN 44 2HB ASN 44 9.326 4.404 -7.647 316 HB3 ASN 44 3HB ASN 44 10.421 3.461 -6.641 317 HD21 ASN 44 1HD2 ASN 44 12.201 4.419 -7.708 318 HD22 ASN 44 2HD2 ASN 44 12.662 3.961 -9.309 319 H SER 45 H SER 45 6.348 3.016 -7.301 320 HA SER 45 HA SER 45 5.988 2.472 -4.490 321 HB2 SER 45 2HB SER 45 5.443 4.902 -3.987 322 HB3 SER 45 3HB SER 45 7.146 4.613 -4.333 323 HG SER 45 HG SER 45 5.206 5.911 -5.894 324 H PHE 46 H PHE 46 3.802 3.492 -3.819 325 HA PHE 46 HA PHE 46 1.862 3.787 -6.011 326 HB2 PHE 46 2HB PHE 46 0.199 2.387 -4.803 327 HB3 PHE 46 3HB PHE 46 1.606 1.460 -5.292 328 HD1 PHE 46 HD2 PHE 46 3.294 0.739 -3.567 329 HD2 PHE 46 HD1 PHE 46 -0.400 2.587 -2.453 330 HE1 PHE 46 HE2 PHE 46 3.551 -0.116 -1.279 331 HE2 PHE 46 HE1 PHE 46 -0.130 1.726 -0.168 332 HZ PHE 46 HZ PHE 46 1.840 0.374 0.423 333 H HIS 47 H HIS 47 0.023 5.025 -5.431 334 HA HIS 47 HA HIS 47 0.422 6.831 -3.124 335 HB2 HIS 47 2HB HIS 47 -0.936 7.306 -5.813 336 HB3 HIS 47 3HB HIS 47 -1.084 8.418 -4.457 337 HD1 HIS 47 HD1 HIS 47 0.638 10.193 -4.343 338 HD2 HIS 47 HD2 HIS 47 1.880 7.003 -6.666 339 HE1 HIS 47 HE1 HIS 47 2.862 10.869 -5.267 340 HE2 HIS 47 HE2 HIS 47 3.674 8.846 -6.519 341 H VAL 48 H VAL 48 -1.206 7.156 -1.752 342 HA VAL 48 HA VAL 48 -3.657 5.516 -1.935 343 HB VAL 48 HB VAL 48 -1.997 6.218 0.545 344 HG11 VAL 48 1HG1 VAL 48 -4.399 6.334 1.101 345 HG12 VAL 48 2HG1 VAL 48 -3.648 4.934 1.873 346 HG13 VAL 48 3HG1 VAL 48 -4.639 4.720 0.429 347 HG21 VAL 48 3HG2 VAL 48 -1.691 3.777 0.791 348 HG22 VAL 48 1HG2 VAL 48 -1.061 4.340 -0.760 349 HG23 VAL 48 2HG2 VAL 48 -2.617 3.509 -0.688 350 H PHE 49 H PHE 49 -5.483 6.750 -1.835 351 HA PHE 49 HA PHE 49 -5.287 9.575 -0.973 352 HB2 PHE 49 2HB PHE 49 -7.077 8.292 -3.076 353 HB3 PHE 49 3HB PHE 49 -7.305 9.934 -2.482 354 HD1 PHE 49 HD2 PHE 49 -5.568 11.688 -2.967 355 HD2 PHE 49 HD1 PHE 49 -5.330 7.775 -4.670 356 HE1 PHE 49 HE2 PHE 49 -3.981 12.507 -4.653 357 HE2 PHE 49 HE1 PHE 49 -3.740 8.603 -6.345 358 HZ PHE 49 HZ PHE 49 -3.069 10.967 -6.344 359 H ASP 50 H ASP 50 -6.847 10.349 0.382 360 HA ASP 50 HA ASP 50 -8.370 10.401 2.058 361 HB2 ASP 50 2HB ASP 50 -9.819 8.448 0.226 362 HB3 ASP 50 3HB ASP 50 -10.581 9.229 1.604 363 H GLN 51 H GLN 51 -6.577 9.222 3.242 364 HA GLN 51 HA GLN 51 -6.478 6.515 3.772 365 HB2 GLN 51 2HB GLN 51 -5.753 8.890 5.518 366 HB3 GLN 51 3HB GLN 51 -5.411 7.230 5.992 367 HG2 GLN 51 2HG GLN 51 -4.083 6.980 3.848 368 HG3 GLN 51 3HG GLN 51 -4.278 8.716 3.598 369 HE21 GLN 51 1HE2 GLN 51 -2.803 6.241 5.572 370 HE22 GLN 51 2HE2 GLN 51 -1.658 7.263 6.358 371 H GLY 52 H GLY 52 -8.742 8.878 5.090 372 HA2 GLY 52 2HA GLY 52 -9.903 7.313 7.134 373 HA3 GLY 52 3HA GLY 52 -10.692 8.616 6.262 374 H GLN 53 H GLN 53 -10.881 7.722 3.697 375 HA GLN 53 HA GLN 53 -13.113 5.942 3.852 376 HB2 GLN 53 2HB GLN 53 -12.934 7.829 2.215 377 HB3 GLN 53 3HB GLN 53 -11.619 6.987 1.410 378 HG2 GLN 53 2HG GLN 53 -13.694 6.724 0.162 379 HG3 GLN 53 3HG GLN 53 -13.157 5.163 0.781 380 HE21 GLN 53 1HE2 GLN 53 -15.222 4.270 0.682 381 HE22 GLN 53 2HE2 GLN 53 -16.507 4.735 1.720 382 H PHE 54 H PHE 54 -9.836 5.687 2.591 383 HA PHE 54 HA PHE 54 -9.753 3.143 1.529 384 HB2 PHE 54 2HB PHE 54 -7.990 4.828 1.217 385 HB3 PHE 54 3HB PHE 54 -7.617 4.816 2.929 386 HD1 PHE 54 HD1 PHE 54 -6.300 2.953 3.917 387 HD2 PHE 54 HD2 PHE 54 -7.108 3.091 -0.282 388 HE1 PHE 54 HE1 PHE 54 -4.527 1.315 3.519 389 HE2 PHE 54 HE2 PHE 54 -5.334 1.430 -0.652 390 HZ PHE 54 HZ PHE 54 -4.039 0.544 1.238 391 H ALA 55 H ALA 55 -8.925 4.181 4.859 392 HA ALA 55 HA ALA 55 -8.439 1.617 5.895 393 HB1 ALA 55 3HB ALA 55 -8.617 2.650 8.106 394 HB2 ALA 55 1HB ALA 55 -9.405 4.063 7.406 395 HB3 ALA 55 2HB ALA 55 -7.725 3.701 7.006 396 H LYS 56 H LYS 56 -11.440 3.337 5.414 397 HA LYS 56 HA LYS 56 -13.094 1.800 7.132 398 HB2 LYS 56 2HB LYS 56 -13.787 4.007 6.695 399 HB3 LYS 56 3HB LYS 56 -13.566 3.851 4.961 400 HG2 LYS 56 2HG LYS 56 -15.699 2.154 6.202 401 HG3 LYS 56 3HG LYS 56 -15.998 3.891 6.156 402 HD2 LYS 56 2HD LYS 56 -15.748 3.914 3.720 403 HD3 LYS 56 3HD LYS 56 -15.280 2.212 3.713 404 HE2 LYS 56 2HE LYS 56 -17.608 2.445 3.009 405 HE3 LYS 56 3HE LYS 56 -17.535 1.613 4.561 406 HZ1 LYS 56 3HZ LYS 56 -19.295 3.257 4.530 407 HZ2 LYS 56 1HZ LYS 56 -18.198 4.487 4.155 408 HZ3 LYS 56 2HZ LYS 56 -18.121 3.707 5.657 409 H GLU 57 H GLU 57 -12.608 1.666 3.577 410 HA GLU 57 HA GLU 57 -14.332 -0.752 3.472 411 HB2 GLU 57 2HB GLU 57 -14.555 -0.257 1.026 412 HB3 GLU 57 3HB GLU 57 -15.218 0.983 2.081 413 HG2 GLU 57 2HG GLU 57 -13.502 2.517 1.588 414 HG3 GLU 57 3HG GLU 57 -12.423 1.263 0.986 415 H VAL 58 H VAL 58 -11.101 0.368 2.610 416 HA VAL 58 HA VAL 58 -10.638 -1.754 0.671 417 HB VAL 58 HB VAL 58 -8.832 0.469 1.713 418 HG11 VAL 58 1HG1 VAL 58 -8.397 -1.448 -0.590 419 HG12 VAL 58 2HG1 VAL 58 -7.459 -1.351 0.903 420 HG13 VAL 58 3HG1 VAL 58 -7.401 -0.026 -0.259 421 HG21 VAL 58 3HG2 VAL 58 -10.720 1.386 0.461 422 HG22 VAL 58 1HG2 VAL 58 -10.420 0.280 -0.882 423 HG23 VAL 58 2HG2 VAL 58 -9.253 1.549 -0.502 424 H LEU 59 H LEU 59 -9.327 -0.763 3.839 425 HA LEU 59 HA LEU 59 -7.427 -2.821 4.095 426 HB2 LEU 59 2HB LEU 59 -8.755 -1.120 6.217 427 HB3 LEU 59 3HB LEU 59 -7.497 -2.285 6.589 428 HG LEU 59 HG LEU 59 -7.224 0.221 4.894 429 HD11 LEU 59 1HD1 LEU 59 -5.928 -0.568 7.514 430 HD12 LEU 59 2HD1 LEU 59 -7.208 0.627 7.302 431 HD13 LEU 59 3HD1 LEU 59 -5.614 0.918 6.608 432 HD21 LEU 59 3HD2 LEU 59 -4.840 -0.374 4.631 433 HD22 LEU 59 1HD2 LEU 59 -5.900 -1.538 3.840 434 HD23 LEU 59 2HD2 LEU 59 -5.150 -1.940 5.388 435 HA PRO 60 HA PRO 60 -10.691 -5.461 6.609 436 HB2 PRO 60 2HB PRO 60 -13.375 -4.961 6.174 437 HB3 PRO 60 3HB PRO 60 -12.450 -4.204 7.491 438 HG2 PRO 60 2HG PRO 60 -13.124 -3.068 4.794 439 HG3 PRO 60 3HG PRO 60 -13.248 -2.311 6.388 440 HD2 PRO 60 2HD PRO 60 -11.161 -1.792 4.775 441 HD3 PRO 60 3HD PRO 60 -10.958 -1.907 6.537 442 H LYS 61 H LYS 61 -11.028 -4.374 3.345 443 HA LYS 61 HA LYS 61 -12.388 -6.651 2.271 444 HB2 LYS 61 2HB LYS 61 -12.400 -4.434 1.173 445 HB3 LYS 61 3HB LYS 61 -10.664 -4.556 0.905 446 HG2 LYS 61 2HG LYS 61 -11.026 -6.487 -0.591 447 HG3 LYS 61 3HG LYS 61 -12.771 -6.357 -0.330 448 HD2 LYS 61 2HD LYS 61 -12.772 -4.103 -1.336 449 HD3 LYS 61 3HD LYS 61 -11.020 -4.174 -1.541 450 HE2 LYS 61 2HE LYS 61 -11.297 -6.061 -3.108 451 HE3 LYS 61 3HE LYS 61 -13.047 -5.966 -2.913 452 HZ1 LYS 61 3HZ LYS 61 -12.370 -4.843 -4.896 453 HZ2 LYS 61 1HZ LYS 61 -11.287 -3.865 -4.042 454 HZ3 LYS 61 2HZ LYS 61 -12.950 -3.715 -3.788 455 H TYR 62 H TYR 62 -8.984 -5.568 1.843 456 HA TYR 62 HA TYR 62 -8.183 -8.204 0.880 457 HB2 TYR 62 2HB TYR 62 -6.785 -5.530 1.124 458 HB3 TYR 62 3HB TYR 62 -5.836 -6.985 0.819 459 HD1 TYR 62 HD2 TYR 62 -8.750 -5.047 -0.503 460 HD2 TYR 62 HD1 TYR 62 -5.636 -7.818 -1.404 461 HE1 TYR 62 HE2 TYR 62 -9.327 -4.918 -2.874 462 HE2 TYR 62 HE1 TYR 62 -6.214 -7.706 -3.784 463 HH TYR 62 HH TYR 62 -8.333 -5.350 -5.042 464 H PHE 63 H PHE 63 -7.424 -6.168 3.644 465 HA PHE 63 HA PHE 63 -6.087 -8.407 5.040 466 HB2 PHE 63 2HB PHE 63 -6.260 -5.515 5.999 467 HB3 PHE 63 3HB PHE 63 -5.070 -6.735 6.444 468 HD1 PHE 63 HD2 PHE 63 -3.332 -7.451 4.692 469 HD2 PHE 63 HD1 PHE 63 -5.874 -4.052 4.133 470 HE1 PHE 63 HE2 PHE 63 -1.857 -6.614 2.915 471 HE2 PHE 63 HE1 PHE 63 -4.389 -3.235 2.356 472 HZ PHE 63 HZ PHE 63 -2.377 -4.518 1.742 473 H LYS 64 H LYS 64 -6.795 -7.807 7.717 474 HA LYS 64 HA LYS 64 -9.749 -7.748 7.720 475 HB2 LYS 64 2HB LYS 64 -8.087 -9.842 9.201 476 HB3 LYS 64 3HB LYS 64 -9.820 -9.603 9.413 477 HG2 LYS 64 2HG LYS 64 -8.432 -10.480 6.854 478 HG3 LYS 64 3HG LYS 64 -9.374 -11.512 7.933 479 HD2 LYS 64 2HD LYS 64 -11.433 -10.378 7.355 480 HD3 LYS 64 3HD LYS 64 -10.563 -9.088 6.525 481 HE2 LYS 64 2HE LYS 64 -11.522 -10.525 4.847 482 HE3 LYS 64 3HE LYS 64 -9.777 -10.775 4.843 483 HZ1 LYS 64 3HZ LYS 64 -10.883 -12.874 4.692 484 HZ2 LYS 64 1HZ LYS 64 -11.820 -12.557 6.066 485 HZ3 LYS 64 2HZ LYS 64 -10.151 -12.779 6.210 486 H HIS 65 H HIS 65 -8.848 -5.530 8.150 487 HA HIS 65 HA HIS 65 -9.594 -4.889 10.852 488 HB2 HIS 65 2HB HIS 65 -7.562 -3.622 11.478 489 HB3 HIS 65 3HB HIS 65 -7.155 -5.312 11.214 490 HD1 HIS 65 HD1 HIS 65 -6.041 -1.991 10.330 491 HD2 HIS 65 HD2 HIS 65 -6.009 -5.704 8.469 492 HE1 HIS 65 HE1 HIS 65 -4.326 -1.822 8.502 493 HE2 HIS 65 HE2 HIS 65 -4.163 -4.147 7.570 494 H ASN 66 H ASN 66 -9.801 -2.464 11.064 495 HA ASN 66 HA ASN 66 -10.056 -1.100 8.429 496 HB2 ASN 66 2HB ASN 66 -11.670 -0.465 10.942 497 HB3 ASN 66 3HB ASN 66 -11.830 0.297 9.366 498 HD21 ASN 66 1HD2 ASN 66 -13.100 -0.585 7.869 499 HD22 ASN 66 2HD2 ASN 66 -13.978 -2.057 8.080 500 H ASN 67 H ASN 67 -8.232 -1.251 11.197 501 HA ASN 67 HA ASN 67 -7.887 1.540 11.782 502 HB2 ASN 67 2HB ASN 67 -7.571 -0.302 13.475 503 HB3 ASN 67 3HB ASN 67 -6.119 -0.803 12.613 504 HD21 ASN 67 1HD2 ASN 67 -7.578 1.761 14.537 505 HD22 ASN 67 2HD2 ASN 67 -6.095 2.506 15.013 506 H MET 68 H MET 68 -6.926 2.860 10.411 507 HA MET 68 HA MET 68 -5.256 2.360 8.261 508 HB2 MET 68 2HB MET 68 -6.523 4.453 8.576 509 HB3 MET 68 3HB MET 68 -5.516 4.892 9.945 510 HG2 MET 68 2HG MET 68 -4.666 6.225 8.229 511 HG3 MET 68 3HG MET 68 -3.556 4.862 8.208 512 HE1 MET 68 3HE MET 68 -4.192 3.226 4.792 513 HE2 MET 68 1HE MET 68 -4.664 2.561 6.358 514 HE3 MET 68 2HE MET 68 -3.123 3.400 6.180 515 H ALA 69 H ALA 69 -4.393 3.416 11.543 516 HA ALA 69 HA ALA 69 -1.640 3.757 11.218 517 HB1 ALA 69 3HB ALA 69 -2.918 4.610 13.138 518 HB2 ALA 69 1HB ALA 69 -1.525 3.664 13.669 519 HB3 ALA 69 2HB ALA 69 -3.145 2.963 13.729 520 H SER 70 H SER 70 -3.489 0.809 11.821 521 HA SER 70 HA SER 70 -1.361 -0.905 12.561 522 HB2 SER 70 2HB SER 70 -3.739 -1.406 13.010 523 HB3 SER 70 3HB SER 70 -4.055 -1.534 11.282 524 HG SER 70 HG SER 70 -3.075 -3.372 12.994 525 H PHE 71 H PHE 71 -2.838 -0.118 9.421 526 HA PHE 71 HA PHE 71 -1.452 -1.942 7.753 527 HB2 PHE 71 2HB PHE 71 -3.464 -0.799 6.975 528 HB3 PHE 71 3HB PHE 71 -2.716 0.774 7.198 529 HD1 PHE 71 HD1 PHE 71 -2.180 -2.401 5.230 530 HD2 PHE 71 HD2 PHE 71 -1.902 1.872 5.269 531 HE1 PHE 71 HE1 PHE 71 -1.516 -2.409 2.861 532 HE2 PHE 71 HE2 PHE 71 -1.236 1.846 2.903 533 HZ PHE 71 HZ PHE 71 -1.037 -0.292 1.699 534 H VAL 72 H VAL 72 -0.854 1.446 8.578 535 HA VAL 72 HA VAL 72 1.545 1.827 7.151 536 HB VAL 72 HB VAL 72 0.507 3.298 9.614 537 HG11 VAL 72 1HG1 VAL 72 2.458 4.249 7.487 538 HG12 VAL 72 2HG1 VAL 72 2.862 3.855 9.160 539 HG13 VAL 72 3HG1 VAL 72 1.814 5.232 8.807 540 HG21 VAL 72 3HG2 VAL 72 -0.562 4.865 8.040 541 HG22 VAL 72 1HG2 VAL 72 -1.177 3.228 7.802 542 HG23 VAL 72 2HG2 VAL 72 0.001 3.900 6.675 543 H ARG 73 H ARG 73 0.912 0.667 10.449 544 HA ARG 73 HA ARG 73 3.502 0.787 11.547 545 HB2 ARG 73 2HB ARG 73 1.472 0.402 12.909 546 HB3 ARG 73 3HB ARG 73 1.256 -1.178 12.162 547 HG2 ARG 73 2HG ARG 73 3.383 -1.945 13.183 548 HG3 ARG 73 3HG ARG 73 3.591 -0.359 13.931 549 HD2 ARG 73 2HD ARG 73 1.334 -2.313 14.470 550 HD3 ARG 73 3HD ARG 73 2.708 -1.998 15.531 551 HE ARG 73 HE ARG 73 0.971 0.256 14.853 552 HH11 ARG 73 1HH1 ARG 73 1.862 -2.138 17.285 553 HH12 ARG 73 2HH1 ARG 73 1.099 -1.265 18.574 554 HH21 ARG 73 1HH2 ARG 73 -0.004 1.371 16.546 555 HH22 ARG 73 2HH2 ARG 73 0.038 0.732 18.149 556 H GLN 74 H GLN 74 1.856 -1.773 9.708 557 HA GLN 74 HA GLN 74 3.905 -3.732 9.836 558 HB2 GLN 74 2HB GLN 74 1.755 -3.334 7.716 559 HB3 GLN 74 3HB GLN 74 2.734 -4.788 7.895 560 HG2 GLN 74 2HG GLN 74 0.692 -3.723 9.874 561 HG3 GLN 74 3HG GLN 74 0.508 -5.130 8.826 562 HE21 GLN 74 1HE2 GLN 74 1.957 -3.873 11.715 563 HE22 GLN 74 2HE2 GLN 74 2.514 -5.379 12.346 564 H LEU 75 H LEU 75 3.163 -1.177 7.434 565 HA LEU 75 HA LEU 75 5.131 -1.890 5.540 566 HB2 LEU 75 2HB LEU 75 3.638 0.694 6.071 567 HB3 LEU 75 3HB LEU 75 4.767 0.525 4.731 568 HG LEU 75 HG LEU 75 2.311 -1.237 5.106 569 HD11 LEU 75 1HD1 LEU 75 2.652 1.138 3.277 570 HD12 LEU 75 2HD1 LEU 75 1.615 1.054 4.704 571 HD13 LEU 75 3HD1 LEU 75 1.274 0.033 3.311 572 HD21 LEU 75 3HD2 LEU 75 4.197 -0.931 2.745 573 HD22 LEU 75 1HD2 LEU 75 2.710 -1.889 2.760 574 HD23 LEU 75 2HD2 LEU 75 4.055 -2.338 3.804 575 H ASN 76 H ASN 76 5.256 0.322 8.330 576 HA ASN 76 HA ASN 76 7.828 1.342 8.083 577 HB2 ASN 76 2HB ASN 76 6.349 0.471 10.601 578 HB3 ASN 76 3HB ASN 76 7.849 1.394 10.630 579 HD21 ASN 76 1HD2 ASN 76 5.138 2.042 11.599 580 HD22 ASN 76 2HD2 ASN 76 4.736 3.548 10.855 581 H MET 77 H MET 77 6.815 -1.843 9.290 582 HA MET 77 HA MET 77 9.472 -2.755 9.973 583 HB2 MET 77 2HB MET 77 6.921 -4.369 9.589 584 HB3 MET 77 3HB MET 77 8.393 -4.947 10.354 585 HG2 MET 77 2HG MET 77 8.072 -3.173 12.117 586 HG3 MET 77 3HG MET 77 6.495 -2.834 11.395 587 HE1 MET 77 3HE MET 77 4.824 -6.442 11.832 588 HE2 MET 77 1HE MET 77 5.921 -6.057 10.505 589 HE3 MET 77 2HE MET 77 4.695 -4.890 11.004 590 H TYR 78 H TYR 78 7.497 -2.751 7.091 591 HA TYR 78 HA TYR 78 9.192 -4.648 5.641 592 HB2 TYR 78 2HB TYR 78 6.760 -3.001 4.840 593 HB3 TYR 78 3HB TYR 78 7.673 -3.960 3.681 594 HD1 TYR 78 HD1 TYR 78 8.087 -6.530 4.559 595 HD2 TYR 78 HD2 TYR 78 4.808 -4.031 5.685 596 HE1 TYR 78 HE1 TYR 78 6.744 -8.519 5.085 597 HE2 TYR 78 HE2 TYR 78 3.476 -6.017 6.220 598 HH TYR 78 HH TYR 78 3.402 -8.413 5.555 599 H GLY 79 H GLY 79 9.325 -1.346 6.447 600 HA2 GLY 79 2HA GLY 79 11.152 0.024 6.087 601 HA3 GLY 79 3HA GLY 79 11.694 -1.031 4.794 602 H PHE 80 H PHE 80 8.411 0.151 4.712 603 HA PHE 80 HA PHE 80 8.914 1.693 2.295 604 HB2 PHE 80 2HB PHE 80 6.356 0.968 3.797 605 HB3 PHE 80 3HB PHE 80 6.354 2.091 2.443 606 HD1 PHE 80 HD1 PHE 80 7.583 -1.383 3.254 607 HD2 PHE 80 HD2 PHE 80 5.829 1.217 0.339 608 HE1 PHE 80 HE1 PHE 80 7.324 -3.279 1.708 609 HE2 PHE 80 HE2 PHE 80 5.578 -0.684 -1.194 610 HZ PHE 80 HZ PHE 80 6.322 -2.931 -0.514 611 H ARG 81 H ARG 81 8.591 3.934 2.140 612 HA ARG 81 HA ARG 81 8.755 5.424 4.682 613 HB2 ARG 81 2HB ARG 81 10.653 5.756 3.141 614 HB3 ARG 81 3HB ARG 81 9.551 6.277 1.869 615 HG2 ARG 81 2HG ARG 81 8.918 8.255 3.198 616 HG3 ARG 81 3HG ARG 81 9.956 7.716 4.518 617 HD2 ARG 81 2HD ARG 81 10.900 8.489 1.741 618 HD3 ARG 81 3HD ARG 81 10.975 9.522 3.171 619 HE ARG 81 HE ARG 81 12.349 6.937 3.294 620 HH11 ARG 81 1HH1 ARG 81 12.673 10.428 2.897 621 HH12 ARG 81 2HH1 ARG 81 14.370 10.426 3.238 622 HH21 ARG 81 1HH2 ARG 81 14.562 6.959 3.736 623 HH22 ARG 81 2HH2 ARG 81 15.445 8.450 3.716 624 H LYS 82 H LYS 82 7.087 6.628 5.311 625 HA LYS 82 HA LYS 82 4.720 7.204 3.841 626 HB2 LYS 82 2HB LYS 82 4.717 7.098 6.287 627 HB3 LYS 82 3HB LYS 82 5.974 8.317 6.394 628 HG2 LYS 82 2HG LYS 82 3.964 9.381 7.059 629 HG3 LYS 82 3HG LYS 82 4.324 9.984 5.441 630 HD2 LYS 82 2HD LYS 82 2.649 8.420 4.490 631 HD3 LYS 82 3HD LYS 82 2.300 7.810 6.111 632 HE2 LYS 82 2HE LYS 82 1.584 10.131 6.763 633 HE3 LYS 82 3HE LYS 82 1.819 10.627 5.090 634 HZ1 LYS 82 3HZ LYS 82 -0.499 10.132 5.648 635 HZ2 LYS 82 1HZ LYS 82 -0.079 8.525 5.963 636 HZ3 LYS 82 2HZ LYS 82 0.087 9.155 4.406 637 H VAL 83 H VAL 83 4.651 8.678 2.150 638 HA VAL 83 HA VAL 83 6.270 11.160 2.327 639 HB VAL 83 HB VAL 83 5.474 9.689 -0.231 640 HG11 VAL 83 1HG1 VAL 83 6.940 11.323 -1.390 641 HG12 VAL 83 2HG1 VAL 83 7.201 12.162 0.143 642 HG13 VAL 83 3HG1 VAL 83 5.589 12.119 -0.576 643 HG21 VAL 83 3HG2 VAL 83 7.879 9.182 -0.510 644 HG22 VAL 83 1HG2 VAL 83 7.233 8.450 0.963 645 HG23 VAL 83 2HG2 VAL 83 8.215 9.915 1.062 646 H VAL 84 H VAL 84 4.994 12.876 2.590 647 HA VAL 84 HA VAL 84 2.087 12.672 2.109 648 HB VAL 84 HB VAL 84 3.614 14.774 3.721 649 HG11 VAL 84 1HG1 VAL 84 0.650 14.085 3.703 650 HG12 VAL 84 2HG1 VAL 84 1.382 15.537 3.013 651 HG13 VAL 84 3HG1 VAL 84 1.422 15.275 4.758 652 HG21 VAL 84 3HG2 VAL 84 3.945 12.527 4.710 653 HG22 VAL 84 1HG2 VAL 84 2.195 12.315 4.785 654 HG23 VAL 84 2HG2 VAL 84 2.972 13.568 5.753 655 H HIS 85 H HIS 85 1.734 13.309 -0.032 656 HA HIS 85 HA HIS 85 3.198 15.595 -1.143 657 HB2 HIS 85 2HB HIS 85 1.153 13.722 -2.382 658 HB3 HIS 85 3HB HIS 85 1.852 15.093 -3.238 659 HD1 HIS 85 HD1 HIS 85 4.249 14.868 -4.095 660 HD2 HIS 85 HD2 HIS 85 2.981 11.560 -1.926 661 HE1 HIS 85 HE1 HIS 85 5.964 13.089 -4.503 662 HE2 HIS 85 HE2 HIS 85 5.276 11.176 -3.031 663 H ILE 86 H ILE 86 -0.176 14.834 -0.181 664 HA ILE 86 HA ILE 86 -0.968 17.616 -0.444 665 HB ILE 86 HB ILE 86 -2.378 15.355 1.048 666 HG12 ILE 86 2HG1 ILE 86 -2.353 14.929 -1.368 667 HG13 ILE 86 3HG1 ILE 86 -3.974 15.414 -0.895 668 HG21 ILE 86 1HG2 ILE 86 -2.987 17.534 2.011 669 HG22 ILE 86 2HG2 ILE 86 -4.352 16.879 1.098 670 HG23 ILE 86 3HG2 ILE 86 -3.361 18.164 0.402 671 HD11 ILE 86 3HD1 ILE 86 -3.340 16.406 -3.001 672 HD12 ILE 86 1HD1 ILE 86 -1.927 17.158 -2.269 673 HD13 ILE 86 2HD1 ILE 86 -3.551 17.663 -1.786 674 H GLU 87 H GLU 87 0.754 18.540 0.589 675 HA GLU 87 HA GLU 87 1.654 18.050 3.219 676 HB2 GLU 87 2HB GLU 87 1.861 20.570 1.514 677 HB3 GLU 87 3HB GLU 87 2.837 20.230 2.945 678 HG2 GLU 87 2HG GLU 87 3.922 18.355 1.829 679 HG3 GLU 87 3HG GLU 87 2.855 18.504 0.437 680 H GLN 88 H GLN 88 0.888 18.773 5.141 681 HA GLN 88 HA GLN 88 -1.863 19.340 5.288 682 HB2 GLN 88 2HB GLN 88 0.254 19.454 7.481 683 HB3 GLN 88 3HB GLN 88 -1.488 19.444 7.756 684 HG2 GLN 88 2HG GLN 88 0.123 17.215 6.467 685 HG3 GLN 88 3HG GLN 88 -0.512 17.224 8.112 686 HE21 GLN 88 1HE2 GLN 88 -1.279 16.794 4.738 687 HE22 GLN 88 2HE2 GLN 88 -2.894 16.223 4.969 688 H GLY 89 H GLY 89 -2.788 21.127 4.860 689 HA2 GLY 89 2HA GLY 89 -2.793 23.491 6.195 690 HA3 GLY 89 3HA GLY 89 -1.585 23.741 4.933 691 H GLY 90 H GLY 90 -3.836 25.272 4.958 692 HA2 GLY 90 2HA GLY 90 -5.935 24.324 3.256 693 HA3 GLY 90 3HA GLY 90 -5.639 25.988 3.729 694 H LEU 91 H LEU 91 -4.539 23.449 1.537 695 HA LEU 91 HA LEU 91 -3.334 25.363 -0.335 696 HB2 LEU 91 2HB LEU 91 -3.487 22.316 -0.410 697 HB3 LEU 91 3HB LEU 91 -2.582 23.315 -1.537 698 HG LEU 91 HG LEU 91 -1.986 22.945 1.426 699 HD11 LEU 91 1HD1 LEU 91 -0.438 22.069 -1.029 700 HD12 LEU 91 2HD1 LEU 91 -1.336 21.026 0.078 701 HD13 LEU 91 3HD1 LEU 91 0.088 21.889 0.651 702 HD21 LEU 91 3HD2 LEU 91 -0.547 24.701 -0.592 703 HD22 LEU 91 1HD2 LEU 91 0.018 24.334 1.043 704 HD23 LEU 91 2HD2 LEU 91 -1.469 25.244 0.813 705 H VAL 92 H VAL 92 -3.925 25.216 -2.674 706 HA VAL 92 HA VAL 92 -6.762 24.943 -3.172 707 HB VAL 92 HB VAL 92 -5.356 26.635 -4.379 708 HG11 VAL 92 1HG1 VAL 92 -4.178 24.265 -5.866 709 HG12 VAL 92 2HG1 VAL 92 -3.320 25.345 -4.765 710 HG13 VAL 92 3HG1 VAL 92 -3.945 25.962 -6.294 711 HG21 VAL 92 3HG2 VAL 92 -6.793 24.701 -6.233 712 HG22 VAL 92 1HG2 VAL 92 -6.403 26.382 -6.602 713 HG23 VAL 92 2HG2 VAL 92 -7.545 26.003 -5.310 714 H LYS 93 H LYS 93 -3.948 22.932 -3.389 715 HA LYS 93 HA LYS 93 -4.888 20.744 -4.884 716 HB2 LYS 93 2HB LYS 93 -2.948 20.924 -2.543 717 HB3 LYS 93 3HB LYS 93 -3.216 19.435 -3.448 718 HG2 LYS 93 2HG LYS 93 -2.315 20.390 -5.462 719 HG3 LYS 93 3HG LYS 93 -2.287 22.010 -4.762 720 HD2 LYS 93 2HD LYS 93 -0.024 21.024 -4.848 721 HD3 LYS 93 3HD LYS 93 -0.535 21.337 -3.190 722 HE2 LYS 93 2HE LYS 93 -1.030 18.952 -2.871 723 HE3 LYS 93 3HE LYS 93 -0.615 18.622 -4.555 724 HZ1 LYS 93 3HZ LYS 93 1.193 18.098 -3.009 725 HZ2 LYS 93 1HZ LYS 93 1.264 19.720 -2.535 726 HZ3 LYS 93 2HZ LYS 93 1.641 19.286 -4.124 727 HA PRO 94 HA PRO 94 -8.296 19.429 -2.402 728 HB2 PRO 94 2HB PRO 94 -8.619 16.834 -3.242 729 HB3 PRO 94 3HB PRO 94 -8.963 18.229 -4.290 730 HG2 PRO 94 2HG PRO 94 -6.488 16.520 -4.189 731 HG3 PRO 94 3HG PRO 94 -7.412 17.070 -5.606 732 HD2 PRO 94 2HD PRO 94 -5.143 18.323 -4.818 733 HD3 PRO 94 3HD PRO 94 -6.498 19.219 -5.543 734 H GLU 95 H GLU 95 -8.982 18.064 -0.700 735 HA GLU 95 HA GLU 95 -6.899 17.732 1.266 736 HB2 GLU 95 2HB GLU 95 -8.803 17.474 2.843 737 HB3 GLU 95 3HB GLU 95 -8.981 18.896 1.817 738 HG2 GLU 95 2HG GLU 95 -10.486 17.451 0.324 739 HG3 GLU 95 3HG GLU 95 -10.486 16.268 1.631 740 H ARG 96 H ARG 96 -8.094 15.599 -0.990 741 HA ARG 96 HA ARG 96 -8.244 13.148 0.438 742 HB2 ARG 96 2HB ARG 96 -7.786 12.087 -1.825 743 HB3 ARG 96 3HB ARG 96 -9.138 13.213 -1.794 744 HG2 ARG 96 2HG ARG 96 -7.804 14.933 -2.862 745 HG3 ARG 96 3HG ARG 96 -6.367 13.916 -2.775 746 HD2 ARG 96 2HD ARG 96 -7.536 12.266 -4.287 747 HD3 ARG 96 3HD ARG 96 -8.840 13.446 -4.476 748 HE ARG 96 HE ARG 96 -6.592 14.846 -5.086 749 HH11 ARG 96 1HH1 ARG 96 -7.920 11.858 -6.379 750 HH12 ARG 96 2HH1 ARG 96 -7.229 12.098 -7.948 751 HH21 ARG 96 1HH2 ARG 96 -5.687 15.138 -7.118 752 HH22 ARG 96 2HH2 ARG 96 -5.957 13.971 -8.368 753 H ASP 97 H ASP 97 -6.587 13.283 1.949 754 HA ASP 97 HA ASP 97 -3.972 13.656 1.977 755 HB2 ASP 97 2HB ASP 97 -5.412 11.289 3.245 756 HB3 ASP 97 3HB ASP 97 -3.736 11.693 3.612 757 H ASP 98 H ASP 98 -2.463 13.236 0.486 758 HA ASP 98 HA ASP 98 -2.507 10.777 -1.090 759 HB2 ASP 98 2HB ASP 98 -2.265 12.942 -2.316 760 HB3 ASP 98 3HB ASP 98 -0.786 13.286 -1.429 761 H THR 99 H THR 99 -1.453 9.186 -0.212 762 HA THR 99 HA THR 99 1.002 9.607 1.351 763 HB THR 99 HB THR 99 -1.090 7.402 1.594 764 HG1 THR 99 HG1 THR 99 -1.741 9.481 2.394 765 HG21 THR 99 3HG2 THR 99 1.383 7.973 3.254 766 HG22 THR 99 1HG2 THR 99 1.156 6.586 2.183 767 HG23 THR 99 2HG2 THR 99 0.163 6.760 3.633 768 H GLU 100 H GLU 100 2.631 9.139 0.020 769 HA GLU 100 HA GLU 100 2.447 6.939 -1.925 770 HB2 GLU 100 2HB GLU 100 3.226 9.054 -2.866 771 HB3 GLU 100 3HB GLU 100 4.449 9.213 -1.611 772 HG2 GLU 100 2HG GLU 100 5.616 7.215 -2.491 773 HG3 GLU 100 3HG GLU 100 4.381 7.055 -3.744 774 H PHE 101 H PHE 101 2.908 5.052 -0.882 775 HA PHE 101 HA PHE 101 5.170 4.913 0.999 776 HB2 PHE 101 2HB PHE 101 3.128 2.824 0.130 777 HB3 PHE 101 3HB PHE 101 4.484 2.470 1.192 778 HD1 PHE 101 HD1 PHE 101 4.642 4.087 3.332 779 HD2 PHE 101 HD2 PHE 101 1.047 3.256 1.145 780 HE1 PHE 101 HE1 PHE 101 3.296 4.609 5.323 781 HE2 PHE 101 HE2 PHE 101 -0.282 3.793 3.140 782 HZ PHE 101 HZ PHE 101 0.840 4.469 5.225 783 H GLN 102 H GLN 102 7.092 4.497 0.229 784 HA GLN 102 HA GLN 102 7.446 3.223 -2.414 785 HB2 GLN 102 2HB GLN 102 9.276 4.776 -2.882 786 HB3 GLN 102 3HB GLN 102 7.807 5.683 -2.532 787 HG2 GLN 102 2HG GLN 102 8.615 6.163 -0.264 788 HG3 GLN 102 3HG GLN 102 10.071 5.216 -0.567 789 HE21 GLN 102 1HE2 GLN 102 9.939 7.936 0.226 790 HE22 GLN 102 2HE2 GLN 102 10.675 8.885 -1.013 791 H HIS 103 H HIS 103 9.259 1.940 -2.664 792 HA HIS 103 HA HIS 103 11.138 1.501 -0.500 793 HB2 HIS 103 2HB HIS 103 9.103 0.157 0.133 794 HB3 HIS 103 3HB HIS 103 9.246 -0.727 -1.377 795 HD1 HIS 103 HD1 HIS 103 10.818 -2.713 -1.379 796 HD2 HIS 103 HD2 HIS 103 11.189 -0.369 2.003 797 HE1 HIS 103 HE1 HIS 103 12.435 -3.916 0.112 798 HE2 HIS 103 HE2 HIS 103 12.710 -2.425 2.109 799 HA PRO 104 HA PRO 104 13.595 1.023 -4.206 800 HB2 PRO 104 2HB PRO 104 15.894 -0.093 -3.167 801 HB3 PRO 104 3HB PRO 104 15.432 1.602 -2.896 802 HG2 PRO 104 2HG PRO 104 14.964 -0.772 -1.092 803 HG3 PRO 104 3HG PRO 104 15.647 0.824 -0.687 804 HD2 PRO 104 2HD PRO 104 13.075 0.278 -0.171 805 HD3 PRO 104 3HD PRO 104 13.550 1.889 -0.762 806 H CYS 105 H CYS 105 13.024 -1.787 -2.185 807 HA CYS 105 HA CYS 105 13.374 -3.628 -4.476 808 HB2 CYS 105 2HB CYS 105 13.140 -4.289 -1.508 809 HB3 CYS 105 3HB CYS 105 13.483 -5.429 -2.806 810 HG CYS 105 HG CYS 105 15.997 -4.534 -3.345 811 H PHE 106 H PHE 106 11.111 -1.809 -4.187 812 HA PHE 106 HA PHE 106 8.998 -3.860 -4.481 813 HB2 PHE 106 2HB PHE 106 8.503 -2.631 -2.397 814 HB3 PHE 106 3HB PHE 106 8.699 -1.093 -3.220 815 HD1 PHE 106 HD1 PHE 106 6.490 -4.036 -2.829 816 HD2 PHE 106 HD2 PHE 106 6.867 -0.138 -4.568 817 HE1 PHE 106 HE1 PHE 106 4.084 -4.020 -3.336 818 HE2 PHE 106 HE2 PHE 106 4.464 -0.140 -5.071 819 HZ PHE 106 HZ PHE 106 3.068 -2.077 -4.459 820 H LEU 107 H LEU 107 8.937 -3.952 -6.669 821 HA LEU 107 HA LEU 107 8.220 -1.477 -8.122 822 HB2 LEU 107 2HB LEU 107 9.805 -3.812 -9.242 823 HB3 LEU 107 3HB LEU 107 9.322 -2.384 -10.134 824 HG LEU 107 HG LEU 107 11.300 -2.411 -7.813 825 HD11 LEU 107 1HD1 LEU 107 13.041 -2.026 -9.498 826 HD12 LEU 107 2HD1 LEU 107 11.846 -2.199 -10.787 827 HD13 LEU 107 3HD1 LEU 107 12.234 -3.574 -9.747 828 HD21 LEU 107 3HD2 LEU 107 10.130 -0.270 -8.008 829 HD22 LEU 107 1HD2 LEU 107 10.555 -0.172 -9.718 830 HD23 LEU 107 2HD2 LEU 107 11.818 -0.108 -8.485 831 H ARG 108 H ARG 108 6.625 -1.798 -9.789 832 HA ARG 108 HA ARG 108 4.505 -3.485 -8.996 833 HB2 ARG 108 2HB ARG 108 3.989 -1.371 -10.023 834 HB3 ARG 108 3HB ARG 108 4.929 -1.759 -11.456 835 HG2 ARG 108 2HG ARG 108 2.536 -1.864 -11.929 836 HG3 ARG 108 3HG ARG 108 3.285 -3.451 -12.118 837 HD2 ARG 108 2HD ARG 108 2.475 -3.824 -9.631 838 HD3 ARG 108 3HD ARG 108 1.373 -2.486 -9.988 839 HE ARG 108 HE ARG 108 0.988 -4.118 -12.093 840 HH11 ARG 108 1HH1 ARG 108 0.920 -4.782 -8.632 841 HH12 ARG 108 2HH1 ARG 108 -0.205 -6.086 -8.795 842 HH21 ARG 108 1HH2 ARG 108 -0.434 -5.863 -12.275 843 HH22 ARG 108 2HH2 ARG 108 -0.965 -6.695 -10.851 844 H GLY 109 H GLY 109 6.376 -3.578 -12.070 845 HA2 GLY 109 2HA GLY 109 5.443 -6.292 -12.665 846 HA3 GLY 109 3HA GLY 109 6.410 -5.253 -13.701 847 H GLN 110 H GLN 110 6.821 -6.518 -10.388 848 HA GLN 110 HA GLN 110 9.188 -8.041 -10.950 849 HB2 GLN 110 2HB GLN 110 9.781 -5.430 -11.012 850 HB3 GLN 110 3HB GLN 110 9.684 -5.575 -9.272 851 HG2 GLN 110 2HG GLN 110 11.954 -5.780 -9.663 852 HG3 GLN 110 3HG GLN 110 11.446 -7.462 -9.537 853 HE21 GLN 110 1HE2 GLN 110 13.738 -6.135 -10.913 854 HE22 GLN 110 2HE2 GLN 110 13.681 -6.720 -12.537 855 H GLU 111 H GLU 111 6.972 -8.921 -9.802 856 HA GLU 111 HA GLU 111 6.512 -8.510 -7.052 857 HB2 GLU 111 2HB GLU 111 5.108 -10.536 -7.163 858 HB3 GLU 111 3HB GLU 111 4.827 -9.494 -8.557 859 HG2 GLU 111 2HG GLU 111 6.189 -10.933 -9.973 860 HG3 GLU 111 3HG GLU 111 6.630 -11.939 -8.598 861 H GLN 112 H GLN 112 8.962 -10.412 -8.595 862 HA GLN 112 HA GLN 112 9.528 -12.226 -6.489 863 HB2 GLN 112 2HB GLN 112 11.582 -12.758 -7.599 864 HB3 GLN 112 3HB GLN 112 10.359 -12.542 -8.839 865 HG2 GLN 112 2HG GLN 112 12.156 -10.217 -8.163 866 HG3 GLN 112 3HG GLN 112 12.809 -11.550 -9.106 867 HE21 GLN 112 1HE2 GLN 112 13.149 -10.132 -10.830 868 HE22 GLN 112 2HE2 GLN 112 11.854 -9.597 -11.844 869 H LEU 113 H LEU 113 9.892 -8.857 -6.518 870 HA LEU 113 HA LEU 113 12.141 -8.775 -4.669 871 HB2 LEU 113 2HB LEU 113 10.294 -6.633 -5.766 872 HB3 LEU 113 3HB LEU 113 11.511 -6.297 -4.545 873 HG LEU 113 HG LEU 113 12.055 -7.270 -7.376 874 HD11 LEU 113 1HD1 LEU 113 13.040 -5.069 -7.732 875 HD12 LEU 113 2HD1 LEU 113 12.620 -4.585 -6.086 876 HD13 LEU 113 3HD1 LEU 113 11.347 -4.921 -7.264 877 HD21 LEU 113 3HD2 LEU 113 13.717 -8.202 -5.834 878 HD22 LEU 113 1HD2 LEU 113 14.031 -6.596 -5.166 879 HD23 LEU 113 2HD2 LEU 113 14.441 -6.956 -6.847 880 H LEU 114 H LEU 114 8.657 -9.039 -4.482 881 HA LEU 114 HA LEU 114 8.167 -7.869 -1.945 882 HB2 LEU 114 2HB LEU 114 6.678 -10.150 -3.309 883 HB3 LEU 114 3HB LEU 114 6.069 -9.212 -1.953 884 HG LEU 114 HG LEU 114 6.620 -8.099 -4.736 885 HD11 LEU 114 1HD1 LEU 114 4.186 -7.987 -4.983 886 HD12 LEU 114 2HD1 LEU 114 3.973 -8.755 -3.406 887 HD13 LEU 114 3HD1 LEU 114 4.720 -9.648 -4.734 888 HD21 LEU 114 3HD2 LEU 114 5.459 -6.084 -3.936 889 HD22 LEU 114 1HD2 LEU 114 6.916 -6.396 -2.998 890 HD23 LEU 114 2HD2 LEU 114 5.332 -6.783 -2.319 891 H GLU 115 H GLU 115 9.075 -11.111 -2.931 892 HA GLU 115 HA GLU 115 8.960 -12.381 -0.381 893 HB2 GLU 115 2HB GLU 115 10.165 -14.221 -1.530 894 HB3 GLU 115 3HB GLU 115 8.770 -13.662 -2.449 895 HG2 GLU 115 2HG GLU 115 10.262 -12.327 -3.895 896 HG3 GLU 115 3HG GLU 115 11.660 -12.924 -3.004 897 H ASN 116 H ASN 116 11.278 -10.234 -1.776 898 HA ASN 116 HA ASN 116 13.432 -11.024 0.050 899 HB2 ASN 116 2HB ASN 116 13.305 -8.877 -2.107 900 HB3 ASN 116 3HB ASN 116 14.697 -9.114 -1.053 901 HD21 ASN 116 1HD2 ASN 116 12.967 -10.289 -3.790 902 HD22 ASN 116 2HD2 ASN 116 14.095 -11.513 -4.244 903 H ILE 117 H ILE 117 10.682 -9.047 0.089 904 HA ILE 117 HA ILE 117 11.784 -7.050 1.953 905 HB ILE 117 HB ILE 117 8.849 -7.353 1.150 906 HG12 ILE 117 2HG1 ILE 117 10.900 -5.476 -0.113 907 HG13 ILE 117 3HG1 ILE 117 10.203 -6.890 -0.893 908 HG21 ILE 117 1HG2 ILE 117 10.355 -5.000 2.366 909 HG22 ILE 117 2HG2 ILE 117 9.254 -6.078 3.228 910 HG23 ILE 117 3HG2 ILE 117 8.635 -5.026 1.957 911 HD11 ILE 117 3HD1 ILE 117 9.155 -4.848 -1.685 912 HD12 ILE 117 1HD1 ILE 117 8.686 -4.410 -0.044 913 HD13 ILE 117 2HD1 ILE 117 7.982 -5.835 -0.817 914 H LYS 118 H LYS 118 12.327 -8.296 3.756 915 HA LYS 118 HA LYS 118 10.423 -10.212 4.872 916 HB2 LYS 118 2HB LYS 118 13.210 -9.423 5.835 917 HB3 LYS 118 3HB LYS 118 12.245 -10.749 6.470 918 HG2 LYS 118 2HG LYS 118 13.209 -10.654 3.587 919 HG3 LYS 118 3HG LYS 118 14.164 -11.348 4.890 920 HD2 LYS 118 2HD LYS 118 13.134 -13.218 3.892 921 HD3 LYS 118 3HD LYS 118 12.136 -12.916 5.312 922 HE2 LYS 118 2HE LYS 118 10.437 -11.834 3.899 923 HE3 LYS 118 3HE LYS 118 11.474 -12.021 2.485 924 HZ1 LYS 118 3HZ LYS 118 9.720 -13.709 2.624 925 HZ2 LYS 118 1HZ LYS 118 10.376 -14.275 4.076 926 HZ3 LYS 118 2HZ LYS 118 11.265 -14.392 2.644 927 H ARG 119 H ARG 119 9.459 -9.957 6.876 928 HA ARG 119 HA ARG 119 9.156 -7.198 7.808 929 HB2 ARG 119 2HB ARG 119 7.342 -8.246 9.329 930 HB3 ARG 119 3HB ARG 119 7.050 -8.173 7.599 931 HG2 ARG 119 2HG ARG 119 7.708 -10.580 7.413 932 HG3 ARG 119 3HG ARG 119 7.851 -10.647 9.175 933 HD2 ARG 119 2HD ARG 119 5.317 -9.986 7.613 934 HD3 ARG 119 3HD ARG 119 5.676 -11.526 8.395 935 HE ARG 119 HE ARG 119 5.493 -10.459 10.533 936 HH11 ARG 119 1HH1 ARG 119 4.397 -8.388 7.893 937 HH12 ARG 119 2HH1 ARG 119 3.443 -7.380 8.934 938 HH21 ARG 119 1HH2 ARG 119 4.196 -9.152 11.850 939 HH22 ARG 119 2HH2 ARG 119 3.329 -7.812 11.170 940 H LYS 120 H LYS 120 9.548 -10.296 9.606 941 HA LYS 120 HA LYS 120 11.840 -9.286 11.081 942 HB2 LYS 120 2HB LYS 120 9.142 -9.808 12.406 943 HB3 LYS 120 3HB LYS 120 10.638 -9.982 13.319 944 HG2 LYS 120 2HG LYS 120 11.190 -7.659 13.019 945 HG3 LYS 120 3HG LYS 120 9.876 -7.434 11.866 946 HD2 LYS 120 2HD LYS 120 8.234 -7.838 13.687 947 HD3 LYS 120 3HD LYS 120 9.563 -8.007 14.841 948 HE2 LYS 120 2HE LYS 120 10.248 -5.695 14.438 949 HE3 LYS 120 3HE LYS 120 9.030 -5.520 13.175 950 HZ1 LYS 120 3HZ LYS 120 7.306 -5.693 14.786 951 HZ2 LYS 120 1HZ LYS 120 8.403 -4.526 15.323 952 HZ3 LYS 120 2HZ LYS 120 8.399 -6.065 16.018 953 H VAL 121 H VAL 121 11.902 -11.279 13.048 954 HA VAL 121 HA VAL 121 13.208 -13.333 11.782 955 HB VAL 121 HB VAL 121 13.501 -12.813 14.162 956 HG11 VAL 121 1HG1 VAL 121 10.791 -14.090 14.664 957 HG12 VAL 121 2HG1 VAL 121 11.175 -12.373 14.813 958 HG13 VAL 121 3HG1 VAL 121 11.926 -13.542 15.902 959 HG21 VAL 121 3HG2 VAL 121 14.270 -15.013 13.399 960 HG22 VAL 121 1HG2 VAL 121 12.695 -15.714 13.778 961 HG23 VAL 121 2HG2 VAL 121 13.720 -15.093 15.073 962 H THR 122 H THR 122 9.808 -13.277 12.791 963 HA THR 122 HA THR 122 9.274 -15.829 11.407 964 HB THR 122 HB THR 122 8.519 -15.888 13.715 965 HG1 THR 122 HG1 THR 122 6.061 -15.846 13.181 966 HG21 THR 122 3HG2 THR 122 8.329 -13.476 14.203 967 HG22 THR 122 1HG2 THR 122 6.844 -14.325 14.643 968 HG23 THR 122 2HG2 THR 122 6.906 -13.369 13.163 969 H SER 123 H SER 123 8.082 -15.812 9.571 970 HA SER 123 HA SER 123 6.901 -13.310 8.588 971 HB2 SER 123 2HB SER 123 8.389 -14.541 7.048 972 HB3 SER 123 3HB SER 123 7.353 -15.962 7.171 973 HG SER 123 HG SER 123 6.073 -15.115 5.756 974 H VAL 124 H VAL 124 4.974 -13.055 9.527 975 HA VAL 124 HA VAL 124 2.807 -14.882 8.986 976 HB VAL 124 HB VAL 124 3.556 -15.898 11.044 977 HG11 VAL 124 1HG1 VAL 124 3.816 -14.698 13.182 978 HG12 VAL 124 2HG1 VAL 124 3.512 -13.168 12.359 979 HG13 VAL 124 3HG1 VAL 124 4.947 -14.115 11.960 980 HG21 VAL 124 3HG2 VAL 124 1.145 -14.165 11.679 981 HG22 VAL 124 1HG2 VAL 124 1.595 -15.653 12.517 982 HG23 VAL 124 2HG2 VAL 124 1.115 -15.706 10.819 983 H SER 125 H SER 125 1.816 -13.370 7.829 984 HA SER 125 HA SER 125 0.194 -11.399 9.073 985 HB2 SER 125 2HB SER 125 2.344 -10.086 8.932 986 HB3 SER 125 3HB SER 125 2.371 -10.340 7.188 987 HG SER 125 HG SER 125 0.040 -9.254 8.240 Start of MODEL 8 1 H1 MET 1 1H MET 1 8.250 7.425 11.762 2 H2 MET 1 2H MET 1 7.688 6.078 12.608 3 H3 MET 1 3H MET 1 6.621 6.977 11.658 4 HA MET 1 HA MET 1 7.183 4.949 10.549 5 HB2 MET 1 2HB MET 1 8.626 7.275 9.199 6 HB3 MET 1 3HB MET 1 7.924 5.872 8.402 7 HG2 MET 1 2HG MET 1 6.389 8.033 9.859 8 HG3 MET 1 3HG MET 1 6.542 7.871 8.111 9 HE1 MET 1 3HE MET 1 3.781 8.158 9.818 10 HE2 MET 1 1HE MET 1 2.759 7.026 8.933 11 HE3 MET 1 2HE MET 1 3.834 8.113 8.054 12 H GLY 2 H GLY 2 8.515 3.651 11.808 13 HA2 GLY 2 2HA GLY 2 11.216 3.258 10.987 14 HA3 GLY 2 3HA GLY 2 11.157 4.075 12.548 15 H HIS 3 H HIS 3 11.479 2.678 14.142 16 HA HIS 3 HA HIS 3 11.874 0.729 15.219 17 HB2 HIS 3 2HB HIS 3 9.870 -0.355 16.126 18 HB3 HIS 3 3HB HIS 3 9.669 1.391 16.098 19 HD1 HIS 3 HD1 HIS 3 8.443 -1.743 14.391 20 HD2 HIS 3 HD2 HIS 3 7.468 2.277 14.645 21 HE1 HIS 3 HE1 HIS 3 6.209 -1.518 13.272 22 HE2 HIS 3 HE2 HIS 3 5.755 0.955 13.257 23 H HIS 4 H HIS 4 12.702 0.430 12.730 24 HA HIS 4 HA HIS 4 12.219 -2.412 12.074 25 HB2 HIS 4 2HB HIS 4 11.052 -1.073 10.389 26 HB3 HIS 4 3HB HIS 4 12.465 -0.056 10.142 27 HD1 HIS 4 HD1 HIS 4 12.865 -0.576 7.688 28 HD2 HIS 4 HD2 HIS 4 12.594 -4.023 10.004 29 HE1 HIS 4 HE1 HIS 4 13.503 -2.474 6.166 30 HE2 HIS 4 HE2 HIS 4 13.164 -4.534 7.549 31 H HIS 5 H HIS 5 14.066 -3.404 12.559 32 HA HIS 5 HA HIS 5 16.652 -2.099 12.574 33 HB2 HIS 5 2HB HIS 5 15.824 -3.921 14.199 34 HB3 HIS 5 3HB HIS 5 16.046 -5.078 12.896 35 HD1 HIS 5 HD1 HIS 5 18.305 -6.120 12.768 36 HD2 HIS 5 HD2 HIS 5 18.342 -2.625 15.008 37 HE1 HIS 5 HE1 HIS 5 20.594 -5.998 13.788 38 HE2 HIS 5 HE2 HIS 5 20.521 -3.983 15.282 39 H HIS 6 H HIS 6 18.340 -2.452 11.043 40 HA HIS 6 HA HIS 6 17.568 -2.910 8.354 41 HB2 HIS 6 2HB HIS 6 20.332 -2.637 9.611 42 HB3 HIS 6 3HB HIS 6 20.095 -2.830 7.878 43 HD1 HIS 6 HD1 HIS 6 20.183 -0.277 10.509 44 HD2 HIS 6 HD2 HIS 6 18.652 -0.594 6.660 45 HE1 HIS 6 HE1 HIS 6 19.747 2.076 9.755 46 HE2 HIS 6 HE2 HIS 6 19.020 1.854 7.364 47 H HIS 7 H HIS 7 16.800 -4.907 7.844 48 HA HIS 7 HA HIS 7 18.451 -7.297 8.407 49 HB2 HIS 7 2HB HIS 7 15.516 -7.006 7.674 50 HB3 HIS 7 3HB HIS 7 16.349 -8.553 7.590 51 HD1 HIS 7 HD1 HIS 7 17.185 -9.577 9.864 52 HD2 HIS 7 HD2 HIS 7 14.739 -6.242 10.261 53 HE1 HIS 7 HE1 HIS 7 16.448 -9.555 12.261 54 HE2 HIS 7 HE2 HIS 7 15.131 -7.444 12.516 55 H HIS 8 H HIS 8 19.931 -7.545 6.833 56 HA HIS 8 HA HIS 8 19.073 -7.667 4.017 57 HB2 HIS 8 2HB HIS 8 21.467 -8.034 3.504 58 HB3 HIS 8 3HB HIS 8 21.248 -6.581 4.462 59 HD1 HIS 8 HD1 HIS 8 22.254 -6.568 6.852 60 HD2 HIS 8 HD2 HIS 8 22.977 -10.064 4.730 61 HE1 HIS 8 HE1 HIS 8 24.047 -7.776 8.125 62 HE2 HIS 8 HE2 HIS 8 24.574 -9.801 6.738 63 H SER 9 H SER 9 18.060 -9.405 6.158 64 HA SER 9 HA SER 9 19.035 -12.026 6.118 65 HB2 SER 9 2HB SER 9 16.187 -11.026 6.602 66 HB3 SER 9 3HB SER 9 16.843 -12.579 7.129 67 HG SER 9 HG SER 9 18.103 -11.571 8.599 68 H HIS 10 H HIS 10 18.241 -13.893 5.030 69 HA HIS 10 HA HIS 10 16.378 -13.609 2.795 70 HB2 HIS 10 2HB HIS 10 17.900 -14.708 1.167 71 HB3 HIS 10 3HB HIS 10 18.530 -13.154 1.699 72 HD1 HIS 10 HD1 HIS 10 19.704 -16.369 0.921 73 HD2 HIS 10 HD2 HIS 10 20.531 -13.700 3.985 74 HE1 HIS 10 HE1 HIS 10 21.948 -17.040 1.801 75 HE2 HIS 10 HE2 HIS 10 22.506 -15.287 3.507 76 H MET 11 H MET 11 15.162 -15.386 2.505 77 HA MET 11 HA MET 11 15.365 -17.601 4.380 78 HB2 MET 11 2HB MET 11 13.292 -16.964 2.229 79 HB3 MET 11 3HB MET 11 13.161 -18.278 3.390 80 HG2 MET 11 2HG MET 11 13.217 -15.332 4.066 81 HG3 MET 11 3HG MET 11 11.784 -16.362 4.036 82 HE1 MET 11 3HE MET 11 12.471 -14.580 6.571 83 HE2 MET 11 1HE MET 11 12.207 -15.738 7.873 84 HE3 MET 11 2HE MET 11 11.098 -15.688 6.506 85 H ALA 12 H ALA 12 14.603 -19.820 3.251 86 HA ALA 12 HA ALA 12 16.276 -20.325 0.848 87 HB1 ALA 12 3HB ALA 12 16.777 -22.562 1.751 88 HB2 ALA 12 1HB ALA 12 15.860 -22.194 3.216 89 HB3 ALA 12 2HB ALA 12 17.336 -21.300 2.848 90 H GLY 13 H GLY 13 14.836 -20.499 -0.767 91 HA2 GLY 13 2HA GLY 13 13.483 -22.391 -1.772 92 HA3 GLY 13 3HA GLY 13 12.383 -22.143 -0.423 93 HA PRO 14 HA PRO 14 10.991 -19.142 -3.749 94 HB2 PRO 14 2HB PRO 14 9.228 -20.528 -5.206 95 HB3 PRO 14 3HB PRO 14 10.968 -20.770 -5.474 96 HG2 PRO 14 2HG PRO 14 9.060 -22.489 -3.910 97 HG3 PRO 14 3HG PRO 14 10.302 -22.979 -5.085 98 HD2 PRO 14 2HD PRO 14 10.681 -22.982 -2.323 99 HD3 PRO 14 3HD PRO 14 11.995 -22.903 -3.517 100 H SER 15 H SER 15 8.793 -18.228 -3.938 101 HA SER 15 HA SER 15 6.828 -17.437 -3.197 102 HB2 SER 15 2HB SER 15 5.020 -19.092 -2.839 103 HB3 SER 15 3HB SER 15 6.031 -19.523 -4.211 104 HG SER 15 HG SER 15 6.829 -20.635 -1.808 105 H ASN 16 H ASN 16 8.769 -17.081 -1.334 106 HA ASN 16 HA ASN 16 7.613 -17.647 1.309 107 HB2 ASN 16 2HB ASN 16 10.167 -16.169 0.505 108 HB3 ASN 16 3HB ASN 16 9.696 -16.538 2.161 109 HD21 ASN 16 1HD2 ASN 16 8.730 -19.234 1.618 110 HD22 ASN 16 2HD2 ASN 16 10.119 -20.192 1.270 111 H VAL 17 H VAL 17 6.188 -15.927 -0.624 112 HA VAL 17 HA VAL 17 6.511 -13.162 0.042 113 HB VAL 17 HB VAL 17 4.182 -14.535 -1.395 114 HG11 VAL 17 1HG1 VAL 17 4.966 -11.594 -1.323 115 HG12 VAL 17 2HG1 VAL 17 3.539 -12.311 -0.576 116 HG13 VAL 17 3HG1 VAL 17 3.692 -12.283 -2.333 117 HG21 VAL 17 3HG2 VAL 17 6.337 -14.917 -2.559 118 HG22 VAL 17 1HG2 VAL 17 6.628 -13.176 -2.600 119 HG23 VAL 17 2HG2 VAL 17 5.275 -13.869 -3.500 120 HA PRO 18 HA PRO 18 3.861 -13.259 3.818 121 HB2 PRO 18 2HB PRO 18 4.113 -10.272 3.442 122 HB3 PRO 18 3HB PRO 18 4.414 -11.257 4.892 123 HG2 PRO 18 2HG PRO 18 6.460 -10.258 3.538 124 HG3 PRO 18 3HG PRO 18 6.541 -11.920 4.173 125 HD2 PRO 18 2HD PRO 18 5.960 -11.016 1.346 126 HD3 PRO 18 3HD PRO 18 7.023 -12.325 1.918 127 H ALA 19 H ALA 19 1.629 -13.186 3.956 128 HA ALA 19 HA ALA 19 -0.016 -12.881 1.749 129 HB1 ALA 19 3HB ALA 19 -0.807 -12.694 4.669 130 HB2 ALA 19 1HB ALA 19 -0.660 -14.172 3.718 131 HB3 ALA 19 2HB ALA 19 -1.910 -12.992 3.321 132 H PHE 20 H PHE 20 0.651 -10.501 4.336 133 HA PHE 20 HA PHE 20 -0.944 -8.394 3.646 134 HB2 PHE 20 2HB PHE 20 0.574 -8.378 5.599 135 HB3 PHE 20 3HB PHE 20 1.975 -8.257 4.545 136 HD1 PHE 20 HD2 PHE 20 -0.981 -6.424 5.863 137 HD2 PHE 20 HD1 PHE 20 2.643 -6.098 3.611 138 HE1 PHE 20 HE2 PHE 20 -1.129 -3.968 5.956 139 HE2 PHE 20 HE1 PHE 20 2.483 -3.648 3.709 140 HZ PHE 20 HZ PHE 20 0.601 -2.582 4.880 141 H LEU 21 H LEU 21 2.153 -9.294 2.109 142 HA LEU 21 HA LEU 21 2.256 -6.891 0.502 143 HB2 LEU 21 2HB LEU 21 4.047 -9.343 0.596 144 HB3 LEU 21 3HB LEU 21 4.334 -7.977 -0.471 145 HG LEU 21 HG LEU 21 4.389 -7.897 2.574 146 HD11 LEU 21 1HD1 LEU 21 6.341 -9.004 1.586 147 HD12 LEU 21 2HD1 LEU 21 6.786 -7.458 2.300 148 HD13 LEU 21 3HD1 LEU 21 6.632 -7.607 0.547 149 HD21 LEU 21 3HD2 LEU 21 3.502 -5.781 1.721 150 HD22 LEU 21 1HD2 LEU 21 4.853 -5.636 0.590 151 HD23 LEU 21 2HD2 LEU 21 5.137 -5.549 2.332 152 H THR 22 H THR 22 1.444 -10.334 -0.077 153 HA THR 22 HA THR 22 1.317 -10.047 -2.917 154 HB THR 22 HB THR 22 1.603 -12.285 -1.853 155 HG1 THR 22 HG1 THR 22 0.496 -11.798 -4.032 156 HG21 THR 22 3HG2 THR 22 -0.335 -13.527 -0.984 157 HG22 THR 22 1HG2 THR 22 -1.350 -12.091 -1.158 158 HG23 THR 22 2HG2 THR 22 -0.018 -12.098 -0.000 159 H LYS 23 H LYS 23 -1.093 -9.637 -0.328 160 HA LYS 23 HA LYS 23 -3.273 -9.186 -2.191 161 HB2 LYS 23 2HB LYS 23 -3.166 -8.704 0.817 162 HB3 LYS 23 3HB LYS 23 -4.616 -8.619 -0.183 163 HG2 LYS 23 2HG LYS 23 -4.036 -11.100 -0.833 164 HG3 LYS 23 3HG LYS 23 -2.992 -11.051 0.588 165 HD2 LYS 23 2HD LYS 23 -5.105 -12.002 1.264 166 HD3 LYS 23 3HD LYS 23 -5.007 -10.382 1.961 167 HE2 LYS 23 2HE LYS 23 -6.443 -9.512 0.146 168 HE3 LYS 23 3HE LYS 23 -6.525 -11.124 -0.569 169 HZ1 LYS 23 3HZ LYS 23 -7.628 -11.909 1.432 170 HZ2 LYS 23 1HZ LYS 23 -8.487 -10.636 0.722 171 HZ3 LYS 23 2HZ LYS 23 -7.558 -10.359 2.109 172 H LEU 24 H LEU 24 -1.069 -7.133 -0.264 173 HA LEU 24 HA LEU 24 -2.101 -4.631 -1.001 174 HB2 LEU 24 2HB LEU 24 -0.382 -4.929 0.752 175 HB3 LEU 24 3HB LEU 24 0.789 -5.424 -0.457 176 HG LEU 24 HG LEU 24 0.716 -3.119 -1.442 177 HD11 LEU 24 1HD1 LEU 24 -1.542 -2.433 -0.800 178 HD12 LEU 24 2HD1 LEU 24 -0.350 -1.266 -0.235 179 HD13 LEU 24 3HD1 LEU 24 -1.074 -2.404 0.904 180 HD21 LEU 24 3HD2 LEU 24 1.992 -2.005 0.337 181 HD22 LEU 24 1HD2 LEU 24 2.454 -3.699 0.189 182 HD23 LEU 24 2HD2 LEU 24 1.410 -3.184 1.515 183 H TRP 25 H TRP 25 0.239 -6.751 -2.666 184 HA TRP 25 HA TRP 25 0.885 -5.218 -4.887 185 HB2 TRP 25 2HB TRP 25 1.964 -7.381 -4.316 186 HB3 TRP 25 3HB TRP 25 0.487 -8.245 -4.725 187 HD1 TRP 25 HD1 TRP 25 0.023 -8.707 -7.332 188 HE1 TRP 25 HE1 TRP 25 1.487 -8.491 -9.433 189 HE3 TRP 25 HE3 TRP 25 3.838 -5.908 -5.382 190 HZ2 TRP 25 HZ2 TRP 25 3.941 -7.314 -10.165 191 HZ3 TRP 25 HZ3 TRP 25 5.712 -5.284 -6.848 192 HH2 TRP 25 HH2 TRP 25 5.758 -5.976 -9.193 193 H THR 26 H THR 26 -1.740 -7.621 -4.557 194 HA THR 26 HA THR 26 -3.007 -7.248 -7.023 195 HB THR 26 HB THR 26 -4.272 -8.103 -4.374 196 HG1 THR 26 HG1 THR 26 -2.904 -9.571 -6.395 197 HG21 THR 26 3HG2 THR 26 -5.893 -9.351 -5.748 198 HG22 THR 26 1HG2 THR 26 -5.153 -8.727 -7.224 199 HG23 THR 26 2HG2 THR 26 -5.981 -7.627 -6.117 200 H LEU 27 H LEU 27 -3.473 -5.614 -3.892 201 HA LEU 27 HA LEU 27 -5.748 -4.097 -4.384 202 HB2 LEU 27 2HB LEU 27 -4.901 -4.478 -2.162 203 HB3 LEU 27 3HB LEU 27 -3.352 -3.755 -2.548 204 HG LEU 27 HG LEU 27 -4.357 -1.523 -2.603 205 HD11 LEU 27 1HD1 LEU 27 -6.990 -2.850 -1.938 206 HD12 LEU 27 2HD1 LEU 27 -6.563 -2.124 -3.488 207 HD13 LEU 27 3HD1 LEU 27 -6.681 -1.118 -2.050 208 HD21 LEU 27 3HD2 LEU 27 -5.142 -3.040 -0.087 209 HD22 LEU 27 1HD2 LEU 27 -4.913 -1.294 -0.224 210 HD23 LEU 27 2HD2 LEU 27 -3.543 -2.379 -0.443 211 H VAL 28 H VAL 28 -2.328 -3.107 -4.633 212 HA VAL 28 HA VAL 28 -2.699 -0.516 -5.651 213 HB VAL 28 HB VAL 28 -0.339 -2.435 -5.971 214 HG11 VAL 28 1HG1 VAL 28 -0.368 0.576 -6.391 215 HG12 VAL 28 2HG1 VAL 28 -0.194 -0.641 -7.656 216 HG13 VAL 28 3HG1 VAL 28 1.062 -0.461 -6.431 217 HG21 VAL 28 3HG2 VAL 28 -0.896 -1.921 -3.611 218 HG22 VAL 28 1HG2 VAL 28 -0.745 -0.196 -3.951 219 HG23 VAL 28 2HG2 VAL 28 0.667 -1.248 -4.072 220 H SER 29 H SER 29 -2.660 -3.652 -7.227 221 HA SER 29 HA SER 29 -2.413 -2.550 -9.936 222 HB2 SER 29 2HB SER 29 -1.002 -4.482 -9.270 223 HB3 SER 29 3HB SER 29 -2.445 -5.436 -8.936 224 HG SER 29 HG SER 29 -2.911 -5.490 -11.075 225 H ASP 30 H ASP 30 -4.970 -3.057 -7.847 226 HA ASP 30 HA ASP 30 -6.809 -4.379 -9.694 227 HB2 ASP 30 2HB ASP 30 -6.799 -4.967 -7.273 228 HB3 ASP 30 3HB ASP 30 -7.269 -3.326 -6.863 229 HA PRO 31 HA PRO 31 -8.212 -0.487 -11.426 230 HB2 PRO 31 2HB PRO 31 -10.305 -1.355 -12.952 231 HB3 PRO 31 3HB PRO 31 -8.621 -1.771 -13.338 232 HG2 PRO 31 2HG PRO 31 -10.666 -3.424 -11.882 233 HG3 PRO 31 3HG PRO 31 -9.578 -3.903 -13.207 234 HD2 PRO 31 2HD PRO 31 -9.000 -4.454 -10.607 235 HD3 PRO 31 3HD PRO 31 -7.727 -4.107 -11.799 236 H ASP 32 H ASP 32 -10.384 -2.379 -9.399 237 HA ASP 32 HA ASP 32 -12.528 -0.421 -9.311 238 HB2 ASP 32 2HB ASP 32 -13.114 -2.762 -8.989 239 HB3 ASP 32 3HB ASP 32 -11.960 -2.937 -7.676 240 H THR 33 H THR 33 -9.660 -1.183 -7.439 241 HA THR 33 HA THR 33 -10.413 0.611 -5.216 242 HB THR 33 HB THR 33 -8.243 -0.290 -4.178 243 HG1 THR 33 HG1 THR 33 -7.154 -1.144 -5.893 244 HG21 THR 33 3HG2 THR 33 -10.411 -2.309 -4.841 245 HG22 THR 33 1HG2 THR 33 -10.423 -1.188 -3.479 246 HG23 THR 33 2HG2 THR 33 -9.220 -2.475 -3.551 247 H ASP 34 H ASP 34 -9.010 0.919 -8.163 248 HA ASP 34 HA ASP 34 -6.632 2.316 -7.885 249 HB2 ASP 34 2HB ASP 34 -8.504 1.730 -10.023 250 HB3 ASP 34 3HB ASP 34 -8.066 3.421 -10.164 251 H ALA 35 H ALA 35 -9.901 3.429 -7.413 252 HA ALA 35 HA ALA 35 -9.610 6.199 -7.622 253 HB1 ALA 35 3HB ALA 35 -11.485 4.632 -5.830 254 HB2 ALA 35 1HB ALA 35 -11.768 5.038 -7.523 255 HB3 ALA 35 2HB ALA 35 -11.687 6.320 -6.311 256 H LEU 36 H LEU 36 -8.900 4.071 -4.857 257 HA LEU 36 HA LEU 36 -8.058 6.420 -3.243 258 HB2 LEU 36 2HB LEU 36 -9.036 3.708 -2.271 259 HB3 LEU 36 3HB LEU 36 -8.463 5.003 -1.232 260 HG LEU 36 HG LEU 36 -10.981 5.066 -2.946 261 HD11 LEU 36 1HD1 LEU 36 -11.153 3.670 -0.916 262 HD12 LEU 36 2HD1 LEU 36 -12.184 5.094 -0.832 263 HD13 LEU 36 3HD1 LEU 36 -10.668 5.054 0.072 264 HD21 LEU 36 3HD2 LEU 36 -9.985 7.306 -2.895 265 HD22 LEU 36 1HD2 LEU 36 -9.858 7.237 -1.134 266 HD23 LEU 36 2HD2 LEU 36 -11.445 7.267 -1.909 267 H ILE 37 H ILE 37 -6.829 3.732 -4.932 268 HA ILE 37 HA ILE 37 -4.176 4.377 -3.989 269 HB ILE 37 HB ILE 37 -4.796 2.768 -2.269 270 HG12 ILE 37 2HG1 ILE 37 -2.835 1.450 -4.209 271 HG13 ILE 37 3HG1 ILE 37 -2.428 2.752 -3.098 272 HG21 ILE 37 1HG2 ILE 37 -5.411 0.443 -2.725 273 HG22 ILE 37 2HG2 ILE 37 -5.345 0.741 -4.462 274 HG23 ILE 37 3HG2 ILE 37 -6.566 1.548 -3.475 275 HD11 ILE 37 3HD1 ILE 37 -1.687 0.622 -2.237 276 HD12 ILE 37 1HD1 ILE 37 -3.324 -0.026 -2.321 277 HD13 ILE 37 2HD1 ILE 37 -2.947 1.284 -1.198 278 H CYS 38 H CYS 38 -2.837 4.325 -5.685 279 HA CYS 38 HA CYS 38 -3.213 2.459 -7.919 280 HB2 CYS 38 2HB CYS 38 -3.129 4.404 -9.527 281 HB3 CYS 38 3HB CYS 38 -4.575 4.398 -8.525 282 HG CYS 38 HG CYS 38 -4.246 6.694 -7.411 283 H TRP 39 H TRP 39 -1.248 2.055 -9.099 284 HA TRP 39 HA TRP 39 1.209 2.585 -7.693 285 HB2 TRP 39 2HB TRP 39 2.300 1.534 -9.851 286 HB3 TRP 39 3HB TRP 39 1.346 0.513 -8.793 287 HD1 TRP 39 HD1 TRP 39 -0.577 -0.838 -9.886 288 HE1 TRP 39 HE1 TRP 39 -1.630 -0.966 -12.222 289 HE3 TRP 39 HE3 TRP 39 1.732 3.191 -12.088 290 HZ2 TRP 39 HZ2 TRP 39 -1.504 0.412 -14.664 291 HZ3 TRP 39 HZ3 TRP 39 1.206 3.708 -14.436 292 HH2 TRP 39 HH2 TRP 39 -0.384 2.344 -15.700 293 H SER 40 H SER 40 3.032 3.786 -8.391 294 HA SER 40 HA SER 40 2.535 6.229 -9.799 295 HB2 SER 40 2HB SER 40 5.018 6.561 -9.493 296 HB3 SER 40 3HB SER 40 4.189 6.159 -7.989 297 HG SER 40 HG SER 40 5.612 4.622 -7.846 298 HA PRO 41 HA PRO 41 3.480 4.952 -14.103 299 HB2 PRO 41 2HB PRO 41 5.141 7.493 -14.086 300 HB3 PRO 41 3HB PRO 41 3.982 6.908 -15.306 301 HG2 PRO 41 2HG PRO 41 3.224 8.816 -13.647 302 HG3 PRO 41 3HG PRO 41 2.105 7.476 -14.002 303 HD2 PRO 41 2HD PRO 41 3.787 7.927 -11.535 304 HD3 PRO 41 3HD PRO 41 2.121 7.312 -11.673 305 H SER 42 H SER 42 6.040 5.820 -11.818 306 HA SER 42 HA SER 42 8.203 4.467 -13.106 307 HB2 SER 42 2HB SER 42 7.755 5.111 -10.153 308 HB3 SER 42 3HB SER 42 9.282 4.556 -10.848 309 HG SER 42 HG SER 42 8.359 6.684 -12.224 310 H GLY 43 H GLY 43 5.962 3.575 -10.471 311 HA2 GLY 43 2HA GLY 43 4.962 1.510 -10.056 312 HA3 GLY 43 3HA GLY 43 6.088 0.728 -11.157 313 H ASN 44 H ASN 44 7.711 2.809 -9.067 314 HA ASN 44 HA ASN 44 8.892 0.592 -7.550 315 HB2 ASN 44 2HB ASN 44 9.661 3.553 -7.668 316 HB3 ASN 44 3HB ASN 44 10.557 2.308 -6.806 317 HD21 ASN 44 1HD2 ASN 44 12.458 2.597 -7.964 318 HD22 ASN 44 2HD2 ASN 44 12.621 2.194 -9.635 319 H SER 45 H SER 45 6.239 2.431 -7.188 320 HA SER 45 HA SER 45 6.042 2.427 -4.343 321 HB2 SER 45 2HB SER 45 5.867 4.974 -4.212 322 HB3 SER 45 3HB SER 45 7.497 4.372 -4.518 323 HG SER 45 HG SER 45 6.746 6.169 -5.869 324 H PHE 46 H PHE 46 3.925 3.620 -3.721 325 HA PHE 46 HA PHE 46 1.978 3.818 -5.924 326 HB2 PHE 46 2HB PHE 46 0.322 2.412 -4.705 327 HB3 PHE 46 3HB PHE 46 1.736 1.509 -5.217 328 HD1 PHE 46 HD2 PHE 46 3.335 0.614 -3.552 329 HD2 PHE 46 HD1 PHE 46 -0.158 2.741 -2.296 330 HE1 PHE 46 HE2 PHE 46 3.604 -0.268 -1.274 331 HE2 PHE 46 HE1 PHE 46 0.125 1.849 -0.021 332 HZ PHE 46 HZ PHE 46 2.004 0.343 0.493 333 H HIS 47 H HIS 47 0.255 5.162 -5.535 334 HA HIS 47 HA HIS 47 0.518 7.032 -3.288 335 HB2 HIS 47 2HB HIS 47 -0.860 7.268 -5.999 336 HB3 HIS 47 3HB HIS 47 -1.018 8.484 -4.731 337 HD1 HIS 47 HD1 HIS 47 0.555 10.368 -4.999 338 HD2 HIS 47 HD2 HIS 47 2.083 6.882 -6.667 339 HE1 HIS 47 HE1 HIS 47 2.773 11.001 -5.988 340 HE2 HIS 47 HE2 HIS 47 3.748 8.837 -6.777 341 H VAL 48 H VAL 48 -1.177 7.389 -1.907 342 HA VAL 48 HA VAL 48 -3.631 5.780 -2.158 343 HB VAL 48 HB VAL 48 -2.122 6.390 0.442 344 HG11 VAL 48 1HG1 VAL 48 -4.659 4.772 -0.009 345 HG12 VAL 48 2HG1 VAL 48 -4.552 6.344 0.787 346 HG13 VAL 48 3HG1 VAL 48 -3.800 4.930 1.526 347 HG21 VAL 48 3HG2 VAL 48 -0.955 4.657 -0.867 348 HG22 VAL 48 1HG2 VAL 48 -2.449 3.724 -0.994 349 HG23 VAL 48 2HG2 VAL 48 -1.685 3.962 0.580 350 H PHE 49 H PHE 49 -5.460 6.912 -1.854 351 HA PHE 49 HA PHE 49 -5.332 9.793 -1.197 352 HB2 PHE 49 2HB PHE 49 -7.134 8.324 -3.178 353 HB3 PHE 49 3HB PHE 49 -7.351 10.013 -2.719 354 HD1 PHE 49 HD1 PHE 49 -5.034 7.632 -4.422 355 HD2 PHE 49 HD2 PHE 49 -6.018 11.741 -3.720 356 HE1 PHE 49 HE1 PHE 49 -3.429 8.321 -6.160 357 HE2 PHE 49 HE2 PHE 49 -4.420 12.412 -5.456 358 HZ PHE 49 HZ PHE 49 -3.118 10.713 -6.671 359 H ASP 50 H ASP 50 -6.973 10.647 0.048 360 HA ASP 50 HA ASP 50 -8.319 10.727 1.871 361 HB2 ASP 50 2HB ASP 50 -9.889 8.666 0.259 362 HB3 ASP 50 3HB ASP 50 -10.527 9.532 1.646 363 H GLN 51 H GLN 51 -6.534 9.715 3.120 364 HA GLN 51 HA GLN 51 -6.143 7.052 3.673 365 HB2 GLN 51 2HB GLN 51 -5.746 9.428 5.538 366 HB3 GLN 51 3HB GLN 51 -5.155 7.809 5.893 367 HG2 GLN 51 2HG GLN 51 -4.303 9.428 3.474 368 HG3 GLN 51 3HG GLN 51 -3.425 9.382 4.998 369 HE21 GLN 51 1HE2 GLN 51 -1.574 8.530 4.073 370 HE22 GLN 51 2HE2 GLN 51 -1.469 6.912 3.480 371 H GLY 52 H GLY 52 -8.525 9.173 5.144 372 HA2 GLY 52 2HA GLY 52 -9.451 7.482 7.223 373 HA3 GLY 52 3HA GLY 52 -10.328 8.822 6.505 374 H GLN 53 H GLN 53 -10.641 8.010 3.873 375 HA GLN 53 HA GLN 53 -12.900 6.261 4.088 376 HB2 GLN 53 2HB GLN 53 -12.746 8.153 2.454 377 HB3 GLN 53 3HB GLN 53 -11.468 7.298 1.599 378 HG2 GLN 53 2HG GLN 53 -13.531 7.014 0.383 379 HG3 GLN 53 3HG GLN 53 -13.088 5.461 1.090 380 HE21 GLN 53 1HE2 GLN 53 -15.148 4.633 1.106 381 HE22 GLN 53 2HE2 GLN 53 -16.427 5.236 2.086 382 H PHE 54 H PHE 54 -9.696 5.967 2.643 383 HA PHE 54 HA PHE 54 -9.699 3.419 1.581 384 HB2 PHE 54 2HB PHE 54 -7.917 5.066 1.182 385 HB3 PHE 54 3HB PHE 54 -7.456 5.044 2.875 386 HD1 PHE 54 HD2 PHE 54 -7.268 3.198 -0.335 387 HD2 PHE 54 HD1 PHE 54 -6.042 3.255 3.760 388 HE1 PHE 54 HE2 PHE 54 -5.556 1.493 -0.802 389 HE2 PHE 54 HE1 PHE 54 -4.335 1.564 3.278 390 HZ PHE 54 HZ PHE 54 -4.088 0.676 0.994 391 H ALA 55 H ALA 55 -8.715 4.423 4.873 392 HA ALA 55 HA ALA 55 -8.175 1.870 5.887 393 HB1 ALA 55 3HB ALA 55 -9.162 4.305 7.411 394 HB2 ALA 55 1HB ALA 55 -7.481 3.957 7.003 395 HB3 ALA 55 2HB ALA 55 -8.354 2.899 8.113 396 H LYS 56 H LYS 56 -11.204 3.614 5.591 397 HA LYS 56 HA LYS 56 -12.785 2.033 7.351 398 HB2 LYS 56 2HB LYS 56 -13.490 4.256 7.042 399 HB3 LYS 56 3HB LYS 56 -13.345 4.185 5.299 400 HG2 LYS 56 2HG LYS 56 -15.435 2.436 6.536 401 HG3 LYS 56 3HG LYS 56 -15.726 4.177 6.592 402 HD2 LYS 56 2HD LYS 56 -15.564 4.320 4.150 403 HD3 LYS 56 3HD LYS 56 -15.112 2.616 4.044 404 HE2 LYS 56 2HE LYS 56 -17.466 2.928 3.444 405 HE3 LYS 56 3HE LYS 56 -17.339 1.985 4.930 406 HZ1 LYS 56 3HZ LYS 56 -17.927 3.898 6.210 407 HZ2 LYS 56 1HZ LYS 56 -19.074 3.731 4.976 408 HZ3 LYS 56 2HZ LYS 56 -17.867 4.912 4.855 409 H GLU 57 H GLU 57 -12.487 1.990 3.750 410 HA GLU 57 HA GLU 57 -14.272 -0.388 3.667 411 HB2 GLU 57 2HB GLU 57 -14.563 0.138 1.230 412 HB3 GLU 57 3HB GLU 57 -15.133 1.402 2.313 413 HG2 GLU 57 2HG GLU 57 -13.294 2.822 1.808 414 HG3 GLU 57 3HG GLU 57 -12.395 1.525 1.041 415 H VAL 58 H VAL 58 -11.019 0.616 2.698 416 HA VAL 58 HA VAL 58 -10.692 -1.571 0.808 417 HB VAL 58 HB VAL 58 -8.725 0.560 1.775 418 HG11 VAL 58 1HG1 VAL 58 -8.430 -1.451 -0.487 419 HG12 VAL 58 2HG1 VAL 58 -7.476 -1.378 0.996 420 HG13 VAL 58 3HG1 VAL 58 -7.348 -0.087 -0.196 421 HG21 VAL 58 3HG2 VAL 58 -9.139 1.647 -0.413 422 HG22 VAL 58 1HG2 VAL 58 -10.630 1.510 0.523 423 HG23 VAL 58 2HG2 VAL 58 -10.326 0.404 -0.819 424 H LEU 59 H LEU 59 -9.369 -0.649 3.992 425 HA LEU 59 HA LEU 59 -7.536 -2.802 4.183 426 HB2 LEU 59 2HB LEU 59 -8.658 -1.046 6.390 427 HB3 LEU 59 3HB LEU 59 -7.362 -2.210 6.617 428 HG LEU 59 HG LEU 59 -7.281 0.352 4.983 429 HD11 LEU 59 1HD1 LEU 59 -5.646 -0.590 7.359 430 HD12 LEU 59 2HD1 LEU 59 -6.913 0.641 7.374 431 HD13 LEU 59 3HD1 LEU 59 -5.418 0.929 6.487 432 HD21 LEU 59 3HD2 LEU 59 -4.965 -0.250 4.329 433 HD22 LEU 59 1HD2 LEU 59 -6.164 -1.337 3.631 434 HD23 LEU 59 2HD2 LEU 59 -5.197 -1.860 5.013 435 HA PRO 60 HA PRO 60 -10.933 -5.235 6.777 436 HB2 PRO 60 2HB PRO 60 -13.576 -4.630 6.203 437 HB3 PRO 60 3HB PRO 60 -12.687 -3.928 7.568 438 HG2 PRO 60 2HG PRO 60 -13.191 -2.746 4.858 439 HG3 PRO 60 3HG PRO 60 -13.349 -1.989 6.458 440 HD2 PRO 60 2HD PRO 60 -11.187 -1.549 4.926 441 HD3 PRO 60 3HD PRO 60 -11.036 -1.697 6.694 442 H LYS 61 H LYS 61 -11.111 -4.207 3.478 443 HA LYS 61 HA LYS 61 -12.462 -6.519 2.417 444 HB2 LYS 61 2HB LYS 61 -12.461 -4.258 1.340 445 HB3 LYS 61 3HB LYS 61 -10.746 -4.442 0.995 446 HG2 LYS 61 2HG LYS 61 -11.229 -6.344 -0.485 447 HG3 LYS 61 3HG LYS 61 -12.953 -6.216 -0.105 448 HD2 LYS 61 2HD LYS 61 -12.986 -3.927 -1.080 449 HD3 LYS 61 3HD LYS 61 -11.271 -4.078 -1.474 450 HE2 LYS 61 2HE LYS 61 -12.622 -4.496 -3.447 451 HE3 LYS 61 3HE LYS 61 -11.800 -5.981 -2.970 452 HZ1 LYS 61 3HZ LYS 61 -14.073 -6.429 -3.568 453 HZ2 LYS 61 1HZ LYS 61 -14.645 -5.298 -2.447 454 HZ3 LYS 61 2HZ LYS 61 -13.870 -6.701 -1.914 455 H TYR 62 H TYR 62 -9.057 -5.373 2.206 456 HA TYR 62 HA TYR 62 -8.192 -7.984 1.198 457 HB2 TYR 62 2HB TYR 62 -6.727 -5.347 1.565 458 HB3 TYR 62 3HB TYR 62 -5.897 -6.824 1.080 459 HD1 TYR 62 HD2 TYR 62 -8.626 -4.476 0.058 460 HD2 TYR 62 HD1 TYR 62 -5.930 -7.539 -1.217 461 HE1 TYR 62 HE2 TYR 62 -9.259 -4.060 -2.282 462 HE2 TYR 62 HE1 TYR 62 -6.569 -7.129 -3.556 463 HH TYR 62 HH TYR 62 -8.239 -4.391 -4.577 464 H PHE 63 H PHE 63 -8.159 -6.277 4.204 465 HA PHE 63 HA PHE 63 -6.511 -8.380 5.508 466 HB2 PHE 63 2HB PHE 63 -6.572 -5.429 6.343 467 HB3 PHE 63 3HB PHE 63 -5.478 -6.683 6.929 468 HD1 PHE 63 HD2 PHE 63 -3.998 -7.847 5.031 469 HD2 PHE 63 HD1 PHE 63 -5.760 -3.965 4.664 470 HE1 PHE 63 HE2 PHE 63 -2.413 -7.292 3.230 471 HE2 PHE 63 HE1 PHE 63 -4.176 -3.424 2.854 472 HZ PHE 63 HZ PHE 63 -2.500 -5.086 2.137 473 H LYS 64 H LYS 64 -7.005 -7.867 8.176 474 HA LYS 64 HA LYS 64 -9.940 -8.344 8.340 475 HB2 LYS 64 2HB LYS 64 -7.689 -9.619 9.980 476 HB3 LYS 64 3HB LYS 64 -9.400 -9.835 10.316 477 HG2 LYS 64 2HG LYS 64 -8.734 -11.800 9.183 478 HG3 LYS 64 3HG LYS 64 -9.609 -10.849 7.980 479 HD2 LYS 64 2HD LYS 64 -7.421 -10.069 7.057 480 HD3 LYS 64 3HD LYS 64 -6.580 -11.080 8.233 481 HE2 LYS 64 2HE LYS 64 -8.459 -12.073 6.066 482 HE3 LYS 64 3HE LYS 64 -6.698 -12.148 6.013 483 HZ1 LYS 64 3HZ LYS 64 -8.421 -13.515 8.001 484 HZ2 LYS 64 1HZ LYS 64 -6.736 -13.597 7.933 485 HZ3 LYS 64 2HZ LYS 64 -7.665 -14.245 6.680 486 H HIS 65 H HIS 65 -8.907 -5.767 8.506 487 HA HIS 65 HA HIS 65 -9.753 -4.835 11.084 488 HB2 HIS 65 2HB HIS 65 -7.645 -3.704 11.753 489 HB3 HIS 65 3HB HIS 65 -7.384 -5.442 11.642 490 HD1 HIS 65 HD1 HIS 65 -6.342 -2.194 10.086 491 HD2 HIS 65 HD2 HIS 65 -5.665 -6.257 9.506 492 HE1 HIS 65 HE1 HIS 65 -4.364 -2.344 8.552 493 HE2 HIS 65 HE2 HIS 65 -3.857 -4.797 8.391 494 H ASN 66 H ASN 66 -9.780 -2.430 11.112 495 HA ASN 66 HA ASN 66 -9.881 -1.238 8.388 496 HB2 ASN 66 2HB ASN 66 -11.432 -0.318 10.859 497 HB3 ASN 66 3HB ASN 66 -11.498 0.412 9.255 498 HD21 ASN 66 1HD2 ASN 66 -13.640 0.118 8.890 499 HD22 ASN 66 2HD2 ASN 66 -14.402 -1.424 8.741 500 H ASN 67 H ASN 67 -8.588 -1.118 11.577 501 HA ASN 67 HA ASN 67 -7.781 1.520 11.885 502 HB2 ASN 67 2HB ASN 67 -7.796 -0.085 13.727 503 HB3 ASN 67 3HB ASN 67 -6.545 -1.050 12.954 504 HD21 ASN 67 1HD2 ASN 67 -7.197 1.966 14.642 505 HD22 ASN 67 2HD2 ASN 67 -5.557 2.291 15.077 506 H MET 68 H MET 68 -6.432 2.715 10.787 507 HA MET 68 HA MET 68 -4.721 1.726 8.705 508 HB2 MET 68 2HB MET 68 -5.783 3.792 8.244 509 HB3 MET 68 3HB MET 68 -5.312 4.502 9.778 510 HG2 MET 68 2HG MET 68 -3.187 5.054 9.015 511 HG3 MET 68 3HG MET 68 -3.151 3.756 7.824 512 HE1 MET 68 3HE MET 68 -4.037 3.906 5.427 513 HE2 MET 68 1HE MET 68 -5.153 5.146 4.858 514 HE3 MET 68 2HE MET 68 -5.674 3.991 6.088 515 H ALA 69 H ALA 69 -4.210 2.830 12.005 516 HA ALA 69 HA ALA 69 -1.461 3.277 12.031 517 HB1 ALA 69 3HB ALA 69 -2.934 3.811 13.929 518 HB2 ALA 69 1HB ALA 69 -1.562 2.836 14.454 519 HB3 ALA 69 2HB ALA 69 -3.151 2.092 14.264 520 H SER 70 H SER 70 -3.232 0.216 12.276 521 HA SER 70 HA SER 70 -1.074 -1.539 12.775 522 HB2 SER 70 2HB SER 70 -3.447 -2.141 13.136 523 HB3 SER 70 3HB SER 70 -3.748 -2.062 11.400 524 HG SER 70 HG SER 70 -2.805 -4.111 12.861 525 H PHE 71 H PHE 71 -2.605 -0.416 9.765 526 HA PHE 71 HA PHE 71 -1.312 -2.141 7.924 527 HB2 PHE 71 2HB PHE 71 -3.408 -1.057 7.355 528 HB3 PHE 71 3HB PHE 71 -2.733 0.542 7.626 529 HD1 PHE 71 HD1 PHE 71 -2.338 -2.466 5.395 530 HD2 PHE 71 HD2 PHE 71 -1.979 1.785 5.749 531 HE1 PHE 71 HE1 PHE 71 -1.863 -2.297 2.987 532 HE2 PHE 71 HE2 PHE 71 -1.499 1.940 3.338 533 HZ PHE 71 HZ PHE 71 -1.443 -0.100 1.956 534 H VAL 72 H VAL 72 -0.754 1.304 8.683 535 HA VAL 72 HA VAL 72 1.596 1.628 7.159 536 HB VAL 72 HB VAL 72 0.596 3.250 9.546 537 HG11 VAL 72 1HG1 VAL 72 2.613 4.071 7.417 538 HG12 VAL 72 2HG1 VAL 72 2.977 3.737 9.112 539 HG13 VAL 72 3HG1 VAL 72 1.962 5.114 8.684 540 HG21 VAL 72 3HG2 VAL 72 -0.399 4.761 7.859 541 HG22 VAL 72 1HG2 VAL 72 -1.057 3.130 7.718 542 HG23 VAL 72 2HG2 VAL 72 0.153 3.696 6.564 543 H ARG 73 H ARG 73 1.096 0.549 10.531 544 HA ARG 73 HA ARG 73 3.769 0.560 11.426 545 HB2 ARG 73 2HB ARG 73 1.920 0.128 12.969 546 HB3 ARG 73 3HB ARG 73 1.502 -1.356 12.127 547 HG2 ARG 73 2HG ARG 73 3.601 -2.399 12.872 548 HG3 ARG 73 3HG ARG 73 4.091 -0.898 13.656 549 HD2 ARG 73 2HD ARG 73 2.195 -1.077 15.215 550 HD3 ARG 73 3HD ARG 73 1.657 -2.554 14.409 551 HE ARG 73 HE ARG 73 4.118 -3.282 15.110 552 HH11 ARG 73 1HH1 ARG 73 1.697 -1.622 17.056 553 HH12 ARG 73 2HH1 ARG 73 2.270 -2.291 18.553 554 HH21 ARG 73 1HH2 ARG 73 4.848 -4.169 17.075 555 HH22 ARG 73 2HH2 ARG 73 4.059 -3.738 18.562 556 H GLN 74 H GLN 74 1.975 -1.852 9.515 557 HA GLN 74 HA GLN 74 4.005 -3.831 9.426 558 HB2 GLN 74 2HB GLN 74 1.853 -3.322 7.331 559 HB3 GLN 74 3HB GLN 74 2.796 -4.793 7.505 560 HG2 GLN 74 2HG GLN 74 0.616 -3.752 9.317 561 HG3 GLN 74 3HG GLN 74 0.643 -5.250 8.393 562 HE21 GLN 74 1HE2 GLN 74 1.698 -3.638 11.267 563 HE22 GLN 74 2HE2 GLN 74 2.319 -5.030 12.081 564 H LEU 75 H LEU 75 3.142 -1.137 7.215 565 HA LEU 75 HA LEU 75 5.010 -1.558 5.203 566 HB2 LEU 75 2HB LEU 75 3.803 1.039 6.244 567 HB3 LEU 75 3HB LEU 75 4.697 0.913 4.739 568 HG LEU 75 HG LEU 75 2.057 -0.497 5.335 569 HD11 LEU 75 1HD1 LEU 75 1.773 1.927 5.088 570 HD12 LEU 75 2HD1 LEU 75 1.056 1.062 3.732 571 HD13 LEU 75 3HD1 LEU 75 2.607 1.884 3.532 572 HD21 LEU 75 3HD2 LEU 75 2.061 -1.107 2.938 573 HD22 LEU 75 1HD2 LEU 75 3.417 -1.828 3.804 574 HD23 LEU 75 2HD2 LEU 75 3.682 -0.427 2.765 575 H ASN 76 H ASN 76 5.304 0.430 8.167 576 HA ASN 76 HA ASN 76 7.872 1.407 7.882 577 HB2 ASN 76 2HB ASN 76 6.536 0.555 10.487 578 HB3 ASN 76 3HB ASN 76 7.957 1.590 10.373 579 HD21 ASN 76 1HD2 ASN 76 6.892 3.084 8.021 580 HD22 ASN 76 2HD2 ASN 76 5.638 4.089 8.651 581 H MET 77 H MET 77 6.867 -1.733 9.200 582 HA MET 77 HA MET 77 9.520 -2.620 9.874 583 HB2 MET 77 2HB MET 77 6.935 -4.189 9.541 584 HB3 MET 77 3HB MET 77 8.433 -4.867 10.164 585 HG2 MET 77 2HG MET 77 8.335 -3.222 12.037 586 HG3 MET 77 3HG MET 77 6.757 -2.703 11.445 587 HE1 MET 77 3HE MET 77 4.718 -6.103 11.820 588 HE2 MET 77 1HE MET 77 5.681 -5.682 10.406 589 HE3 MET 77 2HE MET 77 4.668 -4.463 11.184 590 H TYR 78 H TYR 78 7.543 -2.744 6.981 591 HA TYR 78 HA TYR 78 9.281 -4.677 5.649 592 HB2 TYR 78 2HB TYR 78 6.760 -3.210 4.797 593 HB3 TYR 78 3HB TYR 78 7.738 -4.089 3.627 594 HD1 TYR 78 HD1 TYR 78 8.404 -6.585 4.505 595 HD2 TYR 78 HD2 TYR 78 4.903 -4.422 5.651 596 HE1 TYR 78 HE1 TYR 78 7.285 -8.690 5.061 597 HE2 TYR 78 HE2 TYR 78 3.784 -6.537 6.215 598 HH TYR 78 HH TYR 78 3.967 -8.930 5.622 599 H GLY 79 H GLY 79 9.428 -1.374 6.289 600 HA2 GLY 79 2HA GLY 79 11.207 0.018 5.775 601 HA3 GLY 79 3HA GLY 79 11.697 -1.065 4.486 602 H PHE 80 H PHE 80 8.361 -0.093 4.464 603 HA PHE 80 HA PHE 80 8.678 1.534 2.083 604 HB2 PHE 80 2HB PHE 80 6.223 0.811 3.749 605 HB3 PHE 80 3HB PHE 80 6.152 1.892 2.365 606 HD1 PHE 80 HD1 PHE 80 7.152 -1.617 3.293 607 HD2 PHE 80 HD2 PHE 80 5.725 0.996 0.215 608 HE1 PHE 80 HE1 PHE 80 6.774 -3.553 1.812 609 HE2 PHE 80 HE2 PHE 80 5.357 -0.948 -1.252 610 HZ PHE 80 HZ PHE 80 5.878 -3.220 -0.459 611 H ARG 81 H ARG 81 8.496 3.757 2.018 612 HA ARG 81 HA ARG 81 8.737 5.180 4.597 613 HB2 ARG 81 2HB ARG 81 10.751 5.167 3.103 614 HB3 ARG 81 3HB ARG 81 9.809 5.959 1.847 615 HG2 ARG 81 2HG ARG 81 9.539 7.947 3.265 616 HG3 ARG 81 3HG ARG 81 10.399 7.144 4.581 617 HD2 ARG 81 2HD ARG 81 11.544 7.973 1.895 618 HD3 ARG 81 3HD ARG 81 11.922 8.666 3.475 619 HE ARG 81 HE ARG 81 12.522 5.830 2.911 620 HH11 ARG 81 1HH1 ARG 81 13.746 9.037 3.709 621 HH12 ARG 81 2HH1 ARG 81 15.345 8.455 4.061 622 HH21 ARG 81 1HH2 ARG 81 14.583 5.089 3.359 623 HH22 ARG 81 2HH2 ARG 81 15.823 6.201 3.862 624 H LYS 82 H LYS 82 7.222 6.671 5.081 625 HA LYS 82 HA LYS 82 4.931 7.261 3.508 626 HB2 LYS 82 2HB LYS 82 4.793 7.375 5.922 627 HB3 LYS 82 3HB LYS 82 6.159 8.474 6.022 628 HG2 LYS 82 2HG LYS 82 4.138 9.692 6.514 629 HG3 LYS 82 3HG LYS 82 4.768 10.253 4.963 630 HD2 LYS 82 2HD LYS 82 3.097 8.826 3.792 631 HD3 LYS 82 3HD LYS 82 2.459 8.306 5.356 632 HE2 LYS 82 2HE LYS 82 2.480 11.163 4.324 633 HE3 LYS 82 3HE LYS 82 1.083 10.089 4.336 634 HZ1 LYS 82 3HZ LYS 82 1.116 11.660 6.196 635 HZ2 LYS 82 1HZ LYS 82 2.544 10.969 6.762 636 HZ3 LYS 82 2HZ LYS 82 1.124 10.056 6.715 637 H VAL 83 H VAL 83 4.777 8.688 1.856 638 HA VAL 83 HA VAL 83 6.700 10.919 1.570 639 HB VAL 83 HB VAL 83 5.090 9.530 -0.626 640 HG11 VAL 83 1HG1 VAL 83 6.533 10.801 -2.199 641 HG12 VAL 83 2HG1 VAL 83 7.266 11.642 -0.831 642 HG13 VAL 83 3HG1 VAL 83 5.551 11.862 -1.184 643 HG21 VAL 83 3HG2 VAL 83 7.213 8.522 -1.378 644 HG22 VAL 83 1HG2 VAL 83 6.780 7.992 0.249 645 HG23 VAL 83 2HG2 VAL 83 8.039 9.210 0.023 646 H VAL 84 H VAL 84 5.751 12.736 2.145 647 HA VAL 84 HA VAL 84 2.864 13.059 2.273 648 HB VAL 84 HB VAL 84 5.165 14.848 3.177 649 HG11 VAL 84 1HG1 VAL 84 3.492 16.210 4.385 650 HG12 VAL 84 2HG1 VAL 84 2.189 15.277 3.644 651 HG13 VAL 84 3HG1 VAL 84 3.243 16.274 2.639 652 HG21 VAL 84 3HG2 VAL 84 4.520 14.173 5.455 653 HG22 VAL 84 1HG2 VAL 84 4.930 12.761 4.479 654 HG23 VAL 84 2HG2 VAL 84 3.239 13.147 4.809 655 H HIS 85 H HIS 85 1.650 14.390 0.999 656 HA HIS 85 HA HIS 85 2.974 16.306 -0.845 657 HB2 HIS 85 2HB HIS 85 0.476 14.702 -1.572 658 HB3 HIS 85 3HB HIS 85 1.367 15.806 -2.614 659 HD1 HIS 85 HD1 HIS 85 1.030 12.301 -1.819 660 HD2 HIS 85 HD2 HIS 85 4.083 14.740 -3.225 661 HE1 HIS 85 HE1 HIS 85 2.727 10.755 -2.818 662 HE2 HIS 85 HE2 HIS 85 4.561 12.245 -3.649 663 H ILE 86 H ILE 86 -0.232 15.278 0.359 664 HA ILE 86 HA ILE 86 -0.931 18.101 0.953 665 HB ILE 86 HB ILE 86 -2.701 15.847 -0.101 666 HG12 ILE 86 2HG1 ILE 86 -1.421 16.915 -1.883 667 HG13 ILE 86 3HG1 ILE 86 -3.104 17.389 -2.027 668 HG21 ILE 86 1HG2 ILE 86 -4.602 17.421 -0.053 669 HG22 ILE 86 2HG2 ILE 86 -3.608 18.606 0.794 670 HG23 ILE 86 3HG2 ILE 86 -4.001 17.069 1.569 671 HD11 ILE 86 3HD1 ILE 86 -0.857 19.079 -0.942 672 HD12 ILE 86 1HD1 ILE 86 -2.551 19.573 -1.037 673 HD13 ILE 86 2HD1 ILE 86 -1.643 19.237 -2.510 674 H GLU 87 H GLU 87 -1.144 18.441 3.042 675 HA GLU 87 HA GLU 87 -2.498 16.449 4.771 676 HB2 GLU 87 2HB GLU 87 -0.277 18.416 5.489 677 HB3 GLU 87 3HB GLU 87 -1.232 17.548 6.685 678 HG2 GLU 87 2HG GLU 87 -0.396 15.387 5.715 679 HG3 GLU 87 3HG GLU 87 0.638 16.325 4.636 680 H GLN 88 H GLN 88 -4.458 17.203 5.406 681 HA GLN 88 HA GLN 88 -5.234 19.958 4.822 682 HB2 GLN 88 2HB GLN 88 -7.546 19.122 5.212 683 HB3 GLN 88 3HB GLN 88 -6.675 18.175 4.014 684 HG2 GLN 88 2HG GLN 88 -6.258 16.417 5.689 685 HG3 GLN 88 3HG GLN 88 -7.120 17.359 6.903 686 HE21 GLN 88 1HE2 GLN 88 -9.240 18.233 5.074 687 HE22 GLN 88 2HE2 GLN 88 -10.216 16.843 4.772 688 H GLY 89 H GLY 89 -3.663 18.886 7.385 689 HA2 GLY 89 2HA GLY 89 -5.335 19.573 9.622 690 HA3 GLY 89 3HA GLY 89 -3.613 19.243 9.653 691 H GLY 90 H GLY 90 -5.997 21.742 8.846 692 HA2 GLY 90 2HA GLY 90 -6.060 23.970 9.457 693 HA3 GLY 90 3HA GLY 90 -4.490 23.795 10.221 694 H LEU 91 H LEU 91 -4.402 22.639 7.054 695 HA LEU 91 HA LEU 91 -2.921 25.030 6.149 696 HB2 LEU 91 2HB LEU 91 -2.811 22.181 5.059 697 HB3 LEU 91 3HB LEU 91 -1.737 23.505 4.639 698 HG LEU 91 HG LEU 91 -1.870 22.064 7.315 699 HD11 LEU 91 1HD1 LEU 91 0.316 22.094 5.212 700 HD12 LEU 91 2HD1 LEU 91 -0.744 20.742 5.615 701 HD13 LEU 91 3HD1 LEU 91 0.424 21.323 6.798 702 HD21 LEU 91 3HD2 LEU 91 0.067 23.463 8.002 703 HD22 LEU 91 1HD2 LEU 91 -1.415 24.391 7.771 704 HD23 LEU 91 2HD2 LEU 91 -0.146 24.437 6.544 705 H VAL 92 H VAL 92 -3.105 25.633 3.857 706 HA VAL 92 HA VAL 92 -5.829 25.522 2.858 707 HB VAL 92 HB VAL 92 -4.760 27.695 2.795 708 HG11 VAL 92 1HG1 VAL 92 -2.397 27.050 2.679 709 HG12 VAL 92 2HG1 VAL 92 -2.784 28.253 1.448 710 HG13 VAL 92 3HG1 VAL 92 -2.596 26.557 0.995 711 HG21 VAL 92 3HG2 VAL 92 -5.136 28.343 0.441 712 HG22 VAL 92 1HG2 VAL 92 -6.373 27.210 0.994 713 HG23 VAL 92 2HG2 VAL 92 -5.065 26.649 -0.049 714 H LYS 93 H LYS 93 -5.830 23.310 2.538 715 HA LYS 93 HA LYS 93 -4.604 22.266 0.051 716 HB2 LYS 93 2HB LYS 93 -4.746 20.839 2.759 717 HB3 LYS 93 3HB LYS 93 -4.229 20.082 1.258 718 HG2 LYS 93 2HG LYS 93 -2.822 22.349 2.698 719 HG3 LYS 93 3HG LYS 93 -2.300 20.663 2.645 720 HD2 LYS 93 2HD LYS 93 -1.865 20.820 0.255 721 HD3 LYS 93 3HD LYS 93 -2.559 22.439 0.183 722 HE2 LYS 93 2HE LYS 93 -0.729 23.216 1.715 723 HE3 LYS 93 3HE LYS 93 -0.003 21.610 1.594 724 HZ1 LYS 93 3HZ LYS 93 1.002 23.171 0.054 725 HZ2 LYS 93 1HZ LYS 93 -0.491 23.465 -0.682 726 HZ3 LYS 93 2HZ LYS 93 0.220 21.935 -0.790 727 HA PRO 94 HA PRO 94 -8.738 20.634 -0.838 728 HB2 PRO 94 2HB PRO 94 -8.227 18.123 -1.902 729 HB3 PRO 94 3HB PRO 94 -7.990 19.633 -2.802 730 HG2 PRO 94 2HG PRO 94 -5.954 17.986 -1.331 731 HG3 PRO 94 3HG PRO 94 -5.847 18.731 -2.945 732 HD2 PRO 94 2HD PRO 94 -4.688 19.904 -0.816 733 HD3 PRO 94 3HD PRO 94 -5.467 20.883 -2.082 734 H GLU 95 H GLU 95 -10.182 18.706 -0.461 735 HA GLU 95 HA GLU 95 -10.291 18.133 2.314 736 HB2 GLU 95 2HB GLU 95 -12.329 16.935 1.887 737 HB3 GLU 95 3HB GLU 95 -12.320 18.320 0.812 738 HG2 GLU 95 2HG GLU 95 -11.607 15.488 -0.020 739 HG3 GLU 95 3HG GLU 95 -13.200 16.204 -0.213 740 H ARG 96 H ARG 96 -9.058 16.316 -0.431 741 HA ARG 96 HA ARG 96 -9.033 13.787 1.005 742 HB2 ARG 96 2HB ARG 96 -8.431 12.783 -1.075 743 HB3 ARG 96 3HB ARG 96 -9.668 13.982 -1.409 744 HG2 ARG 96 2HG ARG 96 -7.752 15.557 -2.099 745 HG3 ARG 96 3HG ARG 96 -6.717 14.124 -2.059 746 HD2 ARG 96 2HD ARG 96 -7.496 14.480 -4.336 747 HD3 ARG 96 3HD ARG 96 -8.254 13.017 -3.696 748 HE ARG 96 HE ARG 96 -9.632 15.640 -3.694 749 HH11 ARG 96 1HH1 ARG 96 -9.696 12.210 -4.516 750 HH12 ARG 96 2HH1 ARG 96 -11.355 12.247 -5.015 751 HH21 ARG 96 1HH2 ARG 96 -11.789 15.663 -4.292 752 HH22 ARG 96 2HH2 ARG 96 -12.550 14.219 -4.887 753 H ASP 97 H ASP 97 -7.248 12.594 1.434 754 HA ASP 97 HA ASP 97 -4.730 13.925 1.961 755 HB2 ASP 97 2HB ASP 97 -5.529 10.985 2.183 756 HB3 ASP 97 3HB ASP 97 -4.006 11.662 2.748 757 H ASP 98 H ASP 98 -3.013 13.922 0.582 758 HA ASP 98 HA ASP 98 -2.904 11.942 -1.636 759 HB2 ASP 98 2HB ASP 98 -1.745 14.761 -1.517 760 HB3 ASP 98 3HB ASP 98 -1.245 13.573 -2.713 761 H THR 99 H THR 99 -1.748 10.347 -0.855 762 HA THR 99 HA THR 99 0.854 10.843 0.475 763 HB THR 99 HB THR 99 -1.230 8.647 1.020 764 HG1 THR 99 HG1 THR 99 -1.681 10.674 2.001 765 HG21 THR 99 3HG2 THR 99 0.275 7.890 2.835 766 HG22 THR 99 1HG2 THR 99 1.504 9.037 2.299 767 HG23 THR 99 2HG2 THR 99 1.033 7.695 1.253 768 H GLU 100 H GLU 100 2.562 9.511 -0.235 769 HA GLU 100 HA GLU 100 1.928 7.152 -1.918 770 HB2 GLU 100 2HB GLU 100 2.994 8.884 -3.310 771 HB3 GLU 100 3HB GLU 100 4.302 9.058 -2.151 772 HG2 GLU 100 2HG GLU 100 4.957 6.663 -2.661 773 HG3 GLU 100 3HG GLU 100 3.745 6.675 -3.944 774 H PHE 101 H PHE 101 3.224 5.304 -1.464 775 HA PHE 101 HA PHE 101 5.130 5.454 0.793 776 HB2 PHE 101 2HB PHE 101 3.270 3.120 0.121 777 HB3 PHE 101 3HB PHE 101 4.537 3.082 1.343 778 HD1 PHE 101 HD1 PHE 101 4.352 4.708 3.338 779 HD2 PHE 101 HD2 PHE 101 1.079 3.900 0.693 780 HE1 PHE 101 HE1 PHE 101 2.767 5.544 5.028 781 HE2 PHE 101 HE2 PHE 101 -0.495 4.738 2.392 782 HZ PHE 101 HZ PHE 101 0.346 5.561 4.558 783 H GLN 102 H GLN 102 7.131 4.962 0.148 784 HA GLN 102 HA GLN 102 7.533 3.719 -2.514 785 HB2 GLN 102 2HB GLN 102 9.626 5.038 -2.675 786 HB3 GLN 102 3HB GLN 102 8.216 6.073 -2.495 787 HG2 GLN 102 2HG GLN 102 8.750 6.498 -0.161 788 HG3 GLN 102 3HG GLN 102 10.082 5.348 -0.214 789 HE21 GLN 102 1HE2 GLN 102 10.046 8.238 0.440 790 HE22 GLN 102 2HE2 GLN 102 11.185 8.968 -0.634 791 H HIS 103 H HIS 103 9.076 2.116 -2.750 792 HA HIS 103 HA HIS 103 10.762 1.347 -0.477 793 HB2 HIS 103 2HB HIS 103 8.566 0.157 -0.182 794 HB3 HIS 103 3HB HIS 103 8.807 -0.621 -1.741 795 HD1 HIS 103 HD1 HIS 103 10.771 -2.410 -1.851 796 HD2 HIS 103 HD2 HIS 103 9.901 -0.960 1.925 797 HE1 HIS 103 HE1 HIS 103 12.017 -3.887 -0.244 798 HE2 HIS 103 HE2 HIS 103 11.321 -3.098 2.022 799 HA PRO 104 HA PRO 104 13.593 0.909 -3.918 800 HB2 PRO 104 2HB PRO 104 15.616 -0.530 -2.661 801 HB3 PRO 104 3HB PRO 104 15.342 1.207 -2.421 802 HG2 PRO 104 2HG PRO 104 14.440 -1.086 -0.704 803 HG3 PRO 104 3HG PRO 104 15.184 0.455 -0.217 804 HD2 PRO 104 2HD PRO 104 12.531 0.083 -0.023 805 HD3 PRO 104 3HD PRO 104 13.194 1.660 -0.512 806 H CYS 105 H CYS 105 12.876 -2.081 -2.085 807 HA CYS 105 HA CYS 105 13.468 -3.769 -4.434 808 HB2 CYS 105 2HB CYS 105 12.844 -4.647 -1.589 809 HB3 CYS 105 3HB CYS 105 13.509 -5.641 -2.882 810 HG CYS 105 HG CYS 105 15.958 -4.374 -2.967 811 H PHE 106 H PHE 106 11.012 -2.028 -4.016 812 HA PHE 106 HA PHE 106 8.981 -4.111 -4.629 813 HB2 PHE 106 2HB PHE 106 8.392 -2.821 -2.584 814 HB3 PHE 106 3HB PHE 106 8.575 -1.313 -3.462 815 HD1 PHE 106 HD1 PHE 106 6.485 -4.398 -3.205 816 HD2 PHE 106 HD2 PHE 106 6.720 -0.392 -4.706 817 HE1 PHE 106 HE1 PHE 106 4.082 -4.448 -3.740 818 HE2 PHE 106 HE2 PHE 106 4.317 -0.457 -5.238 819 HZ PHE 106 HZ PHE 106 2.996 -2.481 -4.755 820 H LEU 107 H LEU 107 9.340 -4.219 -6.798 821 HA LEU 107 HA LEU 107 9.026 -1.753 -8.415 822 HB2 LEU 107 2HB LEU 107 10.451 -4.320 -9.235 823 HB3 LEU 107 3HB LEU 107 10.351 -2.841 -10.169 824 HG LEU 107 HG LEU 107 11.906 -3.197 -7.574 825 HD11 LEU 107 1HD1 LEU 107 12.929 -4.409 -9.430 826 HD12 LEU 107 2HD1 LEU 107 13.914 -3.023 -8.977 827 HD13 LEU 107 3HD1 LEU 107 12.910 -2.951 -10.427 828 HD21 LEU 107 3HD2 LEU 107 11.106 -0.888 -7.771 829 HD22 LEU 107 1HD2 LEU 107 11.774 -0.770 -9.402 830 HD23 LEU 107 2HD2 LEU 107 12.849 -0.961 -8.014 831 H ARG 108 H ARG 108 7.446 -1.816 -9.956 832 HA ARG 108 HA ARG 108 5.342 -3.726 -9.806 833 HB2 ARG 108 2HB ARG 108 4.957 -1.370 -10.360 834 HB3 ARG 108 3HB ARG 108 5.932 -1.523 -11.816 835 HG2 ARG 108 2HG ARG 108 4.199 -3.207 -12.650 836 HG3 ARG 108 3HG ARG 108 3.192 -2.716 -11.282 837 HD2 ARG 108 2HD ARG 108 2.621 -1.498 -13.370 838 HD3 ARG 108 3HD ARG 108 3.166 -0.401 -12.094 839 HE ARG 108 HE ARG 108 5.380 -1.167 -13.648 840 HH11 ARG 108 1HH1 ARG 108 2.506 0.810 -14.018 841 HH12 ARG 108 2HH1 ARG 108 3.234 1.853 -15.194 842 HH21 ARG 108 1HH2 ARG 108 6.335 0.201 -15.130 843 HH22 ARG 108 2HH2 ARG 108 5.424 1.503 -15.826 844 H GLY 109 H GLY 109 4.921 -5.495 -11.068 845 HA2 GLY 109 2HA GLY 109 5.182 -7.146 -12.666 846 HA3 GLY 109 3HA GLY 109 6.386 -6.161 -13.482 847 H GLN 110 H GLN 110 7.195 -6.353 -10.223 848 HA GLN 110 HA GLN 110 9.036 -8.639 -10.668 849 HB2 GLN 110 2HB GLN 110 9.992 -6.160 -10.769 850 HB3 GLN 110 3HB GLN 110 9.815 -6.197 -9.023 851 HG2 GLN 110 2HG GLN 110 12.043 -6.798 -9.329 852 HG3 GLN 110 3HG GLN 110 11.265 -8.371 -9.152 853 HE21 GLN 110 1HE2 GLN 110 12.966 -6.240 -11.292 854 HE22 GLN 110 2HE2 GLN 110 13.111 -7.336 -12.619 855 H GLU 111 H GLU 111 6.748 -9.212 -9.652 856 HA GLU 111 HA GLU 111 6.124 -8.844 -6.963 857 HB2 GLU 111 2HB GLU 111 4.532 -10.660 -7.220 858 HB3 GLU 111 3HB GLU 111 4.549 -9.696 -8.684 859 HG2 GLU 111 2HG GLU 111 5.819 -12.421 -8.309 860 HG3 GLU 111 3HG GLU 111 4.359 -12.065 -9.225 861 H GLN 112 H GLN 112 8.409 -11.150 -8.356 862 HA GLN 112 HA GLN 112 8.590 -12.837 -6.056 863 HB2 GLN 112 2HB GLN 112 10.286 -14.029 -7.093 864 HB3 GLN 112 3HB GLN 112 9.429 -13.369 -8.470 865 HG2 GLN 112 2HG GLN 112 11.954 -12.114 -7.357 866 HG3 GLN 112 3HG GLN 112 11.974 -13.389 -8.567 867 HE21 GLN 112 1HE2 GLN 112 13.029 -12.061 -10.035 868 HE22 GLN 112 2HE2 GLN 112 12.235 -10.763 -10.852 869 H LEU 113 H LEU 113 9.656 -9.632 -6.410 870 HA LEU 113 HA LEU 113 11.818 -9.838 -4.475 871 HB2 LEU 113 2HB LEU 113 10.499 -7.455 -5.810 872 HB3 LEU 113 3HB LEU 113 11.642 -7.258 -4.494 873 HG LEU 113 HG LEU 113 12.220 -8.392 -7.257 874 HD11 LEU 113 1HD1 LEU 113 13.764 -6.477 -7.437 875 HD12 LEU 113 2HD1 LEU 113 13.303 -5.933 -5.823 876 HD13 LEU 113 3HD1 LEU 113 12.115 -5.934 -7.128 877 HD21 LEU 113 3HD2 LEU 113 14.093 -8.298 -4.863 878 HD22 LEU 113 1HD2 LEU 113 14.564 -8.705 -6.517 879 HD23 LEU 113 2HD2 LEU 113 13.452 -9.749 -5.635 880 H LEU 114 H LEU 114 8.373 -9.660 -4.286 881 HA LEU 114 HA LEU 114 8.027 -8.318 -1.808 882 HB2 LEU 114 2HB LEU 114 6.376 -10.560 -3.041 883 HB3 LEU 114 3HB LEU 114 5.879 -9.628 -1.636 884 HG LEU 114 HG LEU 114 6.292 -8.492 -4.431 885 HD11 LEU 114 1HD1 LEU 114 4.337 -9.968 -4.293 886 HD12 LEU 114 2HD1 LEU 114 3.857 -8.289 -4.506 887 HD13 LEU 114 3HD1 LEU 114 3.720 -9.048 -2.917 888 HD21 LEU 114 3HD2 LEU 114 5.231 -7.138 -1.922 889 HD22 LEU 114 1HD2 LEU 114 5.279 -6.431 -3.541 890 HD23 LEU 114 2HD2 LEU 114 6.780 -6.813 -2.705 891 H GLU 115 H GLU 115 8.841 -11.662 -2.610 892 HA GLU 115 HA GLU 115 8.901 -12.536 0.154 893 HB2 GLU 115 2HB GLU 115 9.858 -14.658 -0.768 894 HB3 GLU 115 3HB GLU 115 8.299 -14.202 -1.430 895 HG2 GLU 115 2HG GLU 115 9.419 -13.381 -3.481 896 HG3 GLU 115 3HG GLU 115 10.970 -13.894 -2.810 897 H ASN 116 H ASN 116 11.001 -10.652 -1.638 898 HA ASN 116 HA ASN 116 13.286 -11.287 0.126 899 HB2 ASN 116 2HB ASN 116 13.095 -9.459 -2.316 900 HB3 ASN 116 3HB ASN 116 14.545 -9.674 -1.342 901 HD21 ASN 116 1HD2 ASN 116 12.325 -11.286 -3.517 902 HD22 ASN 116 2HD2 ASN 116 13.395 -12.554 -3.978 903 H ILE 117 H ILE 117 10.606 -9.178 -0.134 904 HA ILE 117 HA ILE 117 11.726 -7.040 1.542 905 HB ILE 117 HB ILE 117 8.808 -7.461 0.695 906 HG12 ILE 117 2HG1 ILE 117 10.823 -5.526 -0.526 907 HG13 ILE 117 3HG1 ILE 117 10.292 -7.021 -1.274 908 HG21 ILE 117 1HG2 ILE 117 8.459 -5.111 1.392 909 HG22 ILE 117 2HG2 ILE 117 10.143 -5.005 1.903 910 HG23 ILE 117 3HG2 ILE 117 9.037 -6.092 2.742 911 HD11 ILE 117 3HD1 ILE 117 9.152 -5.136 -2.244 912 HD12 ILE 117 1HD1 ILE 117 8.556 -4.633 -0.662 913 HD13 ILE 117 2HD1 ILE 117 8.001 -6.151 -1.377 914 H LYS 118 H LYS 118 11.963 -7.567 3.686 915 HA LYS 118 HA LYS 118 10.127 -9.550 4.919 916 HB2 LYS 118 2HB LYS 118 12.924 -8.825 5.903 917 HB3 LYS 118 3HB LYS 118 11.908 -10.129 6.484 918 HG2 LYS 118 2HG LYS 118 13.048 -10.092 3.678 919 HG3 LYS 118 3HG LYS 118 13.941 -10.725 5.051 920 HD2 LYS 118 2HD LYS 118 13.013 -12.642 4.065 921 HD3 LYS 118 3HD LYS 118 11.929 -12.315 5.413 922 HE2 LYS 118 2HE LYS 118 10.230 -11.478 3.952 923 HE3 LYS 118 3HE LYS 118 11.346 -11.387 2.586 924 HZ1 LYS 118 3HZ LYS 118 10.526 -13.920 3.909 925 HZ2 LYS 118 1HZ LYS 118 11.461 -13.765 2.508 926 HZ3 LYS 118 2HZ LYS 118 9.828 -13.316 2.494 927 H ARG 119 H ARG 119 9.863 -9.163 7.280 928 HA ARG 119 HA ARG 119 10.081 -6.327 8.121 929 HB2 ARG 119 2HB ARG 119 8.136 -6.859 9.705 930 HB3 ARG 119 3HB ARG 119 7.730 -6.721 7.998 931 HG2 ARG 119 2HG ARG 119 7.708 -9.185 7.807 932 HG3 ARG 119 3HG ARG 119 8.095 -9.317 9.523 933 HD2 ARG 119 2HD ARG 119 5.965 -8.425 10.165 934 HD3 ARG 119 3HD ARG 119 5.618 -7.882 8.523 935 HE ARG 119 HE ARG 119 5.145 -10.088 7.881 936 HH11 ARG 119 1HH1 ARG 119 5.870 -9.904 11.316 937 HH12 ARG 119 2HH1 ARG 119 5.198 -11.465 11.646 938 HH21 ARG 119 1HH2 ARG 119 4.311 -12.131 8.342 939 HH22 ARG 119 2HH2 ARG 119 4.319 -12.714 9.973 940 H LYS 120 H LYS 120 10.246 -9.736 8.981 941 HA LYS 120 HA LYS 120 12.164 -9.195 11.163 942 HB2 LYS 120 2HB LYS 120 9.812 -11.155 11.301 943 HB3 LYS 120 3HB LYS 120 11.019 -10.912 12.556 944 HG2 LYS 120 2HG LYS 120 9.014 -8.831 11.641 945 HG3 LYS 120 3HG LYS 120 8.837 -9.853 13.070 946 HD2 LYS 120 2HD LYS 120 10.914 -8.846 14.012 947 HD3 LYS 120 3HD LYS 120 11.026 -7.793 12.599 948 HE2 LYS 120 2HE LYS 120 8.967 -6.670 13.201 949 HE3 LYS 120 3HE LYS 120 8.664 -7.826 14.503 950 HZ1 LYS 120 3HZ LYS 120 11.002 -6.006 14.401 951 HZ2 LYS 120 1HZ LYS 120 10.559 -7.009 15.685 952 HZ3 LYS 120 2HZ LYS 120 9.589 -5.688 15.266 953 H VAL 121 H VAL 121 13.163 -11.430 11.824 954 HA VAL 121 HA VAL 121 13.851 -13.101 9.548 955 HB VAL 121 HB VAL 121 14.435 -13.465 12.533 956 HG11 VAL 121 1HG1 VAL 121 15.669 -14.941 10.175 957 HG12 VAL 121 2HG1 VAL 121 14.565 -15.627 11.370 958 HG13 VAL 121 3HG1 VAL 121 16.170 -15.088 11.863 959 HG21 VAL 121 3HG2 VAL 121 16.210 -12.328 10.336 960 HG22 VAL 121 1HG2 VAL 121 16.718 -12.648 11.997 961 HG23 VAL 121 2HG2 VAL 121 15.485 -11.430 11.673 962 H THR 122 H THR 122 11.712 -13.239 12.373 963 HA THR 122 HA THR 122 10.689 -15.910 11.682 964 HB THR 122 HB THR 122 11.276 -15.582 14.019 965 HG1 THR 122 HG1 THR 122 9.579 -16.950 13.869 966 HG21 THR 122 3HG2 THR 122 9.242 -13.327 14.124 967 HG22 THR 122 1HG2 THR 122 10.993 -13.150 14.255 968 HG23 THR 122 2HG2 THR 122 10.097 -14.009 15.509 969 H SER 123 H SER 123 10.058 -14.310 9.699 970 HA SER 123 HA SER 123 7.356 -13.217 9.977 971 HB2 SER 123 2HB SER 123 9.119 -13.498 7.496 972 HB3 SER 123 3HB SER 123 7.612 -12.588 7.604 973 HG SER 123 HG SER 123 10.070 -12.061 8.899 974 H VAL 124 H VAL 124 6.023 -14.947 10.428 975 HA VAL 124 HA VAL 124 6.069 -17.375 8.715 976 HB VAL 124 HB VAL 124 5.020 -18.574 10.618 977 HG11 VAL 124 1HG1 VAL 124 6.968 -18.593 12.153 978 HG12 VAL 124 2HG1 VAL 124 7.567 -17.108 11.405 979 HG13 VAL 124 3HG1 VAL 124 7.462 -18.593 10.458 980 HG21 VAL 124 3HG2 VAL 124 5.317 -15.982 12.194 981 HG22 VAL 124 1HG2 VAL 124 4.767 -17.534 12.839 982 HG23 VAL 124 2HG2 VAL 124 3.794 -16.677 11.643 983 H SER 125 H SER 125 4.501 -14.671 8.490 984 HA SER 125 HA SER 125 2.051 -15.931 7.504 985 HB2 SER 125 2HB SER 125 0.699 -13.930 8.465 986 HB3 SER 125 3HB SER 125 1.183 -15.186 9.606 987 HG SER 125 HG SER 125 2.220 -13.722 10.659 Start of MODEL 9 1 H1 MET 1 1H MET 1 7.478 -49.848 -22.780 2 H2 MET 1 2H MET 1 8.578 -51.103 -23.026 3 H3 MET 1 3H MET 1 7.417 -50.761 -24.199 4 HA MET 1 HA MET 1 9.604 -49.972 -24.823 5 HB2 MET 1 2HB MET 1 8.930 -47.641 -25.415 6 HB3 MET 1 3HB MET 1 7.654 -48.805 -25.735 7 HG2 MET 1 2HG MET 1 6.489 -48.116 -23.688 8 HG3 MET 1 3HG MET 1 7.780 -46.964 -23.333 9 HE1 MET 1 3HE MET 1 6.075 -44.886 -23.168 10 HE2 MET 1 1HE MET 1 4.773 -46.061 -23.377 11 HE3 MET 1 2HE MET 1 4.815 -44.604 -24.369 12 H GLY 2 H GLY 2 11.365 -48.599 -24.456 13 HA2 GLY 2 2HA GLY 2 11.571 -47.032 -21.975 14 HA3 GLY 2 3HA GLY 2 12.720 -48.352 -22.194 15 H HIS 3 H HIS 3 11.424 -46.391 -24.778 16 HA HIS 3 HA HIS 3 14.148 -45.645 -25.608 17 HB2 HIS 3 2HB HIS 3 12.600 -46.940 -27.162 18 HB3 HIS 3 3HB HIS 3 11.551 -45.534 -27.215 19 HD1 HIS 3 HD1 HIS 3 14.343 -47.069 -28.911 20 HD2 HIS 3 HD2 HIS 3 12.968 -43.188 -28.411 21 HE1 HIS 3 HE1 HIS 3 15.458 -45.722 -30.699 22 HE2 HIS 3 HE2 HIS 3 14.712 -43.357 -30.294 23 H HIS 4 H HIS 4 14.759 -43.541 -25.814 24 HA HIS 4 HA HIS 4 13.485 -41.477 -24.378 25 HB2 HIS 4 2HB HIS 4 15.889 -41.454 -24.685 26 HB3 HIS 4 3HB HIS 4 15.728 -41.435 -26.435 27 HD1 HIS 4 HD1 HIS 4 15.730 -39.176 -27.536 28 HD2 HIS 4 HD2 HIS 4 15.041 -38.927 -23.449 29 HE1 HIS 4 HE1 HIS 4 15.782 -36.730 -26.989 30 HE2 HIS 4 HE2 HIS 4 15.599 -36.642 -24.484 31 H HIS 5 H HIS 5 11.602 -40.548 -24.967 32 HA HIS 5 HA HIS 5 11.002 -39.944 -27.794 33 HB2 HIS 5 2HB HIS 5 9.222 -39.875 -25.319 34 HB3 HIS 5 3HB HIS 5 8.695 -39.383 -26.923 35 HD1 HIS 5 HD1 HIS 5 9.230 -42.367 -24.802 36 HD2 HIS 5 HD2 HIS 5 8.427 -41.552 -28.784 37 HE1 HIS 5 HE1 HIS 5 8.408 -44.520 -25.770 38 HE2 HIS 5 HE2 HIS 5 8.143 -44.046 -28.224 39 H HIS 6 H HIS 6 9.978 -38.037 -24.938 40 HA HIS 6 HA HIS 6 11.650 -35.776 -25.427 41 HB2 HIS 6 2HB HIS 6 10.018 -34.206 -26.354 42 HB3 HIS 6 3HB HIS 6 10.128 -35.588 -27.431 43 HD1 HIS 6 HD1 HIS 6 7.682 -33.483 -25.918 44 HD2 HIS 6 HD2 HIS 6 7.867 -37.535 -26.809 45 HE1 HIS 6 HE1 HIS 6 5.308 -34.279 -25.952 46 HE2 HIS 6 HE2 HIS 6 5.449 -36.653 -26.750 47 H HIS 7 H HIS 7 10.894 -33.855 -24.084 48 HA HIS 7 HA HIS 7 9.964 -34.871 -21.493 49 HB2 HIS 7 2HB HIS 7 11.230 -32.224 -22.291 50 HB3 HIS 7 3HB HIS 7 10.739 -32.618 -20.646 51 HD1 HIS 7 HD1 HIS 7 13.524 -32.976 -23.014 52 HD2 HIS 7 HD2 HIS 7 12.297 -34.746 -19.458 53 HE1 HIS 7 HE1 HIS 7 15.535 -34.190 -22.127 54 HE2 HIS 7 HE2 HIS 7 14.818 -35.055 -19.877 55 H HIS 8 H HIS 8 8.617 -33.402 -20.149 56 HA HIS 8 HA HIS 8 6.612 -31.774 -21.613 57 HB2 HIS 8 2HB HIS 8 4.988 -32.406 -19.767 58 HB3 HIS 8 3HB HIS 8 5.433 -33.747 -20.813 59 HD1 HIS 8 HD1 HIS 8 6.154 -32.392 -17.328 60 HD2 HIS 8 HD2 HIS 8 6.456 -35.927 -19.489 61 HE1 HIS 8 HE1 HIS 8 6.824 -34.151 -15.667 62 HE2 HIS 8 HE2 HIS 8 6.810 -36.301 -16.972 63 H SER 9 H SER 9 8.745 -30.490 -21.099 64 HA SER 9 HA SER 9 9.475 -29.886 -18.442 65 HB2 SER 9 2HB SER 9 11.087 -29.811 -20.294 66 HB3 SER 9 3HB SER 9 10.218 -28.454 -21.022 67 HG SER 9 HG SER 9 11.041 -27.136 -19.546 68 H HIS 10 H HIS 10 8.147 -28.833 -17.091 69 HA HIS 10 HA HIS 10 7.881 -25.979 -17.539 70 HB2 HIS 10 2HB HIS 10 5.507 -25.871 -16.766 71 HB3 HIS 10 3HB HIS 10 5.674 -26.687 -18.314 72 HD1 HIS 10 HD1 HIS 10 4.849 -27.356 -14.695 73 HD2 HIS 10 HD2 HIS 10 4.725 -29.310 -18.354 74 HE1 HIS 10 HE1 HIS 10 3.482 -29.422 -14.315 75 HE2 HIS 10 HE2 HIS 10 3.278 -30.486 -16.582 76 H MET 11 H MET 11 8.301 -24.870 -15.692 77 HA MET 11 HA MET 11 9.313 -26.432 -13.457 78 HB2 MET 11 2HB MET 11 10.338 -24.338 -12.678 79 HB3 MET 11 3HB MET 11 10.700 -24.609 -14.375 80 HG2 MET 11 2HG MET 11 8.550 -22.717 -13.389 81 HG3 MET 11 3HG MET 11 10.191 -22.226 -13.804 82 HE1 MET 11 3HE MET 11 10.295 -22.943 -17.670 83 HE2 MET 11 1HE MET 11 10.806 -24.048 -16.390 84 HE3 MET 11 2HE MET 11 11.184 -22.327 -16.281 85 H ALA 12 H ALA 12 8.628 -26.316 -11.343 86 HA ALA 12 HA ALA 12 6.063 -24.932 -10.771 87 HB1 ALA 12 3HB ALA 12 5.510 -26.797 -9.253 88 HB2 ALA 12 1HB ALA 12 7.017 -27.611 -9.687 89 HB3 ALA 12 2HB ALA 12 5.758 -27.376 -10.902 90 H GLY 13 H GLY 13 6.614 -23.186 -9.586 91 HA2 GLY 13 2HA GLY 13 8.109 -23.488 -7.094 92 HA3 GLY 13 3HA GLY 13 8.848 -22.458 -8.312 93 HA PRO 14 HA PRO 14 4.930 -20.214 -6.491 94 HB2 PRO 14 2HB PRO 14 4.559 -20.551 -3.808 95 HB3 PRO 14 3HB PRO 14 3.874 -21.683 -4.997 96 HG2 PRO 14 2HG PRO 14 6.338 -21.993 -3.310 97 HG3 PRO 14 3HG PRO 14 5.086 -23.192 -3.702 98 HD2 PRO 14 2HD PRO 14 7.527 -23.035 -5.007 99 HD3 PRO 14 3HD PRO 14 6.067 -23.743 -5.728 100 H SER 15 H SER 15 4.999 -18.152 -5.570 101 HA SER 15 HA SER 15 7.635 -17.092 -4.968 102 HB2 SER 15 2HB SER 15 5.953 -15.937 -6.492 103 HB3 SER 15 3HB SER 15 4.986 -15.579 -5.063 104 HG SER 15 HG SER 15 7.706 -14.856 -5.169 105 H ASN 16 H ASN 16 8.334 -16.474 -2.955 106 HA ASN 16 HA ASN 16 6.966 -17.576 -0.639 107 HB2 ASN 16 2HB ASN 16 9.666 -16.168 -0.871 108 HB3 ASN 16 3HB ASN 16 9.085 -17.034 0.552 109 HD21 ASN 16 1HD2 ASN 16 10.257 -17.365 -2.738 110 HD22 ASN 16 2HD2 ASN 16 10.622 -19.050 -2.634 111 H VAL 17 H VAL 17 6.087 -14.950 -1.997 112 HA VAL 17 HA VAL 17 6.546 -12.711 -0.425 113 HB VAL 17 HB VAL 17 4.094 -13.411 -2.101 114 HG11 VAL 17 1HG1 VAL 17 4.985 -10.670 -1.119 115 HG12 VAL 17 2HG1 VAL 17 3.546 -11.544 -0.585 116 HG13 VAL 17 3HG1 VAL 17 3.663 -10.979 -2.251 117 HG21 VAL 17 3HG2 VAL 17 6.210 -13.478 -3.365 118 HG22 VAL 17 1HG2 VAL 17 6.588 -11.832 -2.846 119 HG23 VAL 17 2HG2 VAL 17 5.197 -12.133 -3.894 120 HA PRO 18 HA PRO 18 4.208 -13.600 3.413 121 HB2 PRO 18 2HB PRO 18 4.233 -10.593 3.630 122 HB3 PRO 18 3HB PRO 18 4.766 -11.814 4.807 123 HG2 PRO 18 2HG PRO 18 6.557 -10.386 3.470 124 HG3 PRO 18 3HG PRO 18 6.829 -12.118 3.775 125 HD2 PRO 18 2HD PRO 18 5.900 -10.779 1.235 126 HD3 PRO 18 3HD PRO 18 7.079 -12.097 1.447 127 H ALA 19 H ALA 19 2.057 -13.383 4.141 128 HA ALA 19 HA ALA 19 0.023 -13.165 2.301 129 HB1 ALA 19 3HB ALA 19 -0.209 -12.789 5.310 130 HB2 ALA 19 1HB ALA 19 -0.193 -14.340 4.460 131 HB3 ALA 19 2HB ALA 19 -1.524 -13.211 4.209 132 H PHE 20 H PHE 20 1.029 -10.657 4.682 133 HA PHE 20 HA PHE 20 -0.769 -8.664 4.062 134 HB2 PHE 20 2HB PHE 20 0.794 -8.503 5.960 135 HB3 PHE 20 3HB PHE 20 2.160 -8.363 4.859 136 HD1 PHE 20 HD2 PHE 20 -0.821 -6.604 6.210 137 HD2 PHE 20 HD1 PHE 20 2.688 -6.223 3.782 138 HE1 PHE 20 HE2 PHE 20 -1.099 -4.159 6.162 139 HE2 PHE 20 HE1 PHE 20 2.396 -3.796 3.744 140 HZ PHE 20 HZ PHE 20 0.506 -2.755 4.927 141 H LEU 21 H LEU 21 2.267 -9.456 2.312 142 HA LEU 21 HA LEU 21 2.144 -7.021 0.736 143 HB2 LEU 21 2HB LEU 21 4.079 -9.346 0.712 144 HB3 LEU 21 3HB LEU 21 4.184 -8.016 -0.435 145 HG LEU 21 HG LEU 21 4.519 -7.820 2.585 146 HD11 LEU 21 1HD1 LEU 21 6.509 -7.475 0.328 147 HD12 LEU 21 2HD1 LEU 21 6.427 -8.829 1.458 148 HD13 LEU 21 3HD1 LEU 21 6.834 -7.221 2.047 149 HD21 LEU 21 3HD2 LEU 21 3.421 -5.784 1.730 150 HD22 LEU 21 1HD2 LEU 21 4.689 -5.595 0.515 151 HD23 LEU 21 2HD2 LEU 21 5.075 -5.453 2.233 152 H THR 22 H THR 22 1.385 -10.454 0.213 153 HA THR 22 HA THR 22 0.953 -10.180 -2.600 154 HB THR 22 HB THR 22 1.338 -12.403 -1.564 155 HG1 THR 22 HG1 THR 22 0.414 -12.543 -3.538 156 HG21 THR 22 3HG2 THR 22 -0.031 -12.196 0.480 157 HG22 THR 22 1HG2 THR 22 -0.482 -13.623 -0.451 158 HG23 THR 22 2HG2 THR 22 -1.501 -12.181 -0.495 159 H LYS 23 H LYS 23 -1.091 -9.738 0.280 160 HA LYS 23 HA LYS 23 -3.509 -9.161 -1.107 161 HB2 LYS 23 2HB LYS 23 -2.572 -8.389 1.680 162 HB3 LYS 23 3HB LYS 23 -4.191 -8.054 1.077 163 HG2 LYS 23 2HG LYS 23 -3.160 -10.896 1.085 164 HG3 LYS 23 3HG LYS 23 -3.729 -10.174 2.585 165 HD2 LYS 23 2HD LYS 23 -5.544 -11.433 1.610 166 HD3 LYS 23 3HD LYS 23 -5.941 -9.722 1.490 167 HE2 LYS 23 2HE LYS 23 -5.391 -9.736 -0.898 168 HE3 LYS 23 3HE LYS 23 -4.829 -11.406 -0.785 169 HZ1 LYS 23 3HZ LYS 23 -7.047 -12.101 -0.236 170 HZ2 LYS 23 1HZ LYS 23 -7.068 -11.237 -1.688 171 HZ3 LYS 23 2HZ LYS 23 -7.600 -10.507 -0.264 172 H LEU 24 H LEU 24 -0.866 -7.135 0.157 173 HA LEU 24 HA LEU 24 -1.830 -4.614 -0.521 174 HB2 LEU 24 2HB LEU 24 0.127 -4.994 0.932 175 HB3 LEU 24 3HB LEU 24 1.049 -5.582 -0.438 176 HG LEU 24 HG LEU 24 0.946 -3.301 -1.478 177 HD11 LEU 24 1HD1 LEU 24 -1.140 -2.496 -0.489 178 HD12 LEU 24 2HD1 LEU 24 0.180 -1.372 -0.178 179 HD13 LEU 24 3HD1 LEU 24 -0.384 -2.445 1.108 180 HD21 LEU 24 3HD2 LEU 24 2.543 -2.217 0.025 181 HD22 LEU 24 1HD2 LEU 24 2.885 -3.941 -0.115 182 HD23 LEU 24 2HD2 LEU 24 2.089 -3.315 1.332 183 H TRP 25 H TRP 25 0.164 -6.852 -2.523 184 HA TRP 25 HA TRP 25 0.287 -5.190 -4.793 185 HB2 TRP 25 2HB TRP 25 1.869 -6.977 -4.726 186 HB3 TRP 25 3HB TRP 25 0.615 -8.191 -4.504 187 HD1 TRP 25 HD1 TRP 25 0.754 -9.669 -6.625 188 HE1 TRP 25 HE1 TRP 25 0.675 -9.266 -9.160 189 HE3 TRP 25 HE3 TRP 25 0.948 -4.517 -6.683 190 HZ2 TRP 25 HZ2 TRP 25 0.657 -7.087 -10.947 191 HZ3 TRP 25 HZ3 TRP 25 0.880 -3.365 -8.854 192 HH2 TRP 25 HH2 TRP 25 0.739 -4.628 -10.948 193 H THR 26 H THR 26 -1.976 -7.883 -4.045 194 HA THR 26 HA THR 26 -3.535 -7.664 -6.396 195 HB THR 26 HB THR 26 -4.399 -8.714 -3.653 196 HG1 THR 26 HG1 THR 26 -2.965 -9.896 -5.805 197 HG21 THR 26 3HG2 THR 26 -6.336 -8.469 -5.167 198 HG22 THR 26 1HG2 THR 26 -5.945 -10.173 -4.937 199 HG23 THR 26 2HG2 THR 26 -5.478 -9.360 -6.431 200 H LEU 27 H LEU 27 -3.434 -5.743 -3.515 201 HA LEU 27 HA LEU 27 -5.940 -4.402 -3.784 202 HB2 LEU 27 2HB LEU 27 -4.893 -4.658 -1.631 203 HB3 LEU 27 3HB LEU 27 -3.408 -3.920 -2.192 204 HG LEU 27 HG LEU 27 -4.426 -1.723 -2.244 205 HD11 LEU 27 1HD1 LEU 27 -6.644 -2.372 -3.051 206 HD12 LEU 27 2HD1 LEU 27 -6.741 -1.331 -1.639 207 HD13 LEU 27 3HD1 LEU 27 -7.021 -3.064 -1.470 208 HD21 LEU 27 3HD2 LEU 27 -5.169 -3.133 0.345 209 HD22 LEU 27 1HD2 LEU 27 -4.912 -1.398 0.128 210 HD23 LEU 27 2HD2 LEU 27 -3.564 -2.518 -0.065 211 H VAL 28 H VAL 28 -2.536 -3.435 -4.408 212 HA VAL 28 HA VAL 28 -3.065 -0.867 -5.457 213 HB VAL 28 HB VAL 28 -0.642 -2.696 -5.852 214 HG11 VAL 28 1HG1 VAL 28 0.634 -0.668 -6.502 215 HG12 VAL 28 2HG1 VAL 28 -0.857 0.277 -6.464 216 HG13 VAL 28 3HG1 VAL 28 -0.661 -1.016 -7.649 217 HG21 VAL 28 3HG2 VAL 28 -1.049 -0.356 -3.945 218 HG22 VAL 28 1HG2 VAL 28 0.428 -1.313 -4.099 219 HG23 VAL 28 2HG2 VAL 28 -1.052 -2.060 -3.493 220 H SER 29 H SER 29 -2.905 -4.031 -6.994 221 HA SER 29 HA SER 29 -2.780 -3.070 -9.707 222 HB2 SER 29 2HB SER 29 -3.060 -5.513 -10.278 223 HB3 SER 29 3HB SER 29 -1.718 -5.188 -9.184 224 HG SER 29 HG SER 29 -2.624 -6.453 -7.813 225 H ASP 30 H ASP 30 -5.344 -3.768 -7.457 226 HA ASP 30 HA ASP 30 -7.295 -4.722 -9.307 227 HB2 ASP 30 2HB ASP 30 -7.356 -5.344 -6.934 228 HB3 ASP 30 3HB ASP 30 -7.585 -3.660 -6.476 229 HA PRO 31 HA PRO 31 -8.383 -0.638 -10.949 230 HB2 PRO 31 2HB PRO 31 -10.439 -1.409 -12.600 231 HB3 PRO 31 3HB PRO 31 -8.736 -1.752 -12.971 232 HG2 PRO 31 2HG PRO 31 -10.791 -3.577 -11.736 233 HG3 PRO 31 3HG PRO 31 -9.630 -3.913 -13.043 234 HD2 PRO 31 2HD PRO 31 -9.153 -4.673 -10.475 235 HD3 PRO 31 3HD PRO 31 -7.838 -4.196 -11.572 236 H ASP 32 H ASP 32 -10.447 -2.597 -9.001 237 HA ASP 32 HA ASP 32 -12.635 -0.664 -8.817 238 HB2 ASP 32 2HB ASP 32 -13.181 -3.041 -8.822 239 HB3 ASP 32 3HB ASP 32 -12.101 -3.336 -7.466 240 H THR 33 H THR 33 -9.677 -1.400 -7.128 241 HA THR 33 HA THR 33 -10.376 0.512 -4.953 242 HB THR 33 HB THR 33 -8.362 -0.481 -3.733 243 HG1 THR 33 HG1 THR 33 -7.340 -1.556 -5.432 244 HG21 THR 33 3HG2 THR 33 -9.571 -2.405 -2.873 245 HG22 THR 33 1HG2 THR 33 -10.624 -2.430 -4.289 246 HG23 THR 33 2HG2 THR 33 -10.706 -1.085 -3.147 247 H ASP 34 H ASP 34 -8.921 0.485 -7.861 248 HA ASP 34 HA ASP 34 -6.374 1.551 -7.658 249 HB2 ASP 34 2HB ASP 34 -7.327 0.776 -9.772 250 HB3 ASP 34 3HB ASP 34 -8.525 2.061 -9.752 251 H ALA 35 H ALA 35 -9.465 3.189 -7.388 252 HA ALA 35 HA ALA 35 -8.610 5.863 -7.690 253 HB1 ALA 35 3HB ALA 35 -10.939 5.134 -7.978 254 HB2 ALA 35 1HB ALA 35 -10.818 6.454 -6.813 255 HB3 ALA 35 2HB ALA 35 -11.054 4.797 -6.250 256 H LEU 36 H LEU 36 -8.689 3.727 -4.865 257 HA LEU 36 HA LEU 36 -7.986 5.986 -3.082 258 HB2 LEU 36 2HB LEU 36 -9.074 3.228 -2.405 259 HB3 LEU 36 3HB LEU 36 -8.587 4.427 -1.213 260 HG LEU 36 HG LEU 36 -10.932 4.624 -3.152 261 HD11 LEU 36 1HD1 LEU 36 -11.344 3.237 -1.162 262 HD12 LEU 36 2HD1 LEU 36 -12.324 4.700 -1.171 263 HD13 LEU 36 3HD1 LEU 36 -10.907 4.599 -0.121 264 HD21 LEU 36 3HD2 LEU 36 -9.918 6.760 -1.245 265 HD22 LEU 36 1HD2 LEU 36 -11.425 6.819 -2.169 266 HD23 LEU 36 2HD2 LEU 36 -9.881 6.822 -3.011 267 H ILE 37 H ILE 37 -6.626 3.274 -4.685 268 HA ILE 37 HA ILE 37 -4.020 4.034 -3.692 269 HB ILE 37 HB ILE 37 -4.698 2.471 -1.909 270 HG12 ILE 37 2HG1 ILE 37 -2.577 1.171 -3.688 271 HG13 ILE 37 3HG1 ILE 37 -2.292 2.538 -2.614 272 HG21 ILE 37 1HG2 ILE 37 -5.021 0.363 -4.063 273 HG22 ILE 37 2HG2 ILE 37 -6.334 1.138 -3.172 274 HG23 ILE 37 3HG2 ILE 37 -5.175 0.116 -2.324 275 HD11 ILE 37 3HD1 ILE 37 -3.127 -0.235 -1.753 276 HD12 ILE 37 1HD1 ILE 37 -2.848 1.144 -0.684 277 HD13 ILE 37 2HD1 ILE 37 -1.517 0.471 -1.621 278 H CYS 38 H CYS 38 -2.608 3.861 -5.341 279 HA CYS 38 HA CYS 38 -2.773 1.789 -7.380 280 HB2 CYS 38 2HB CYS 38 -2.829 3.478 -9.260 281 HB3 CYS 38 3HB CYS 38 -4.324 3.411 -8.331 282 HG CYS 38 HG CYS 38 -4.147 5.780 -7.141 283 H TRP 39 H TRP 39 -0.885 1.800 -8.795 284 HA TRP 39 HA TRP 39 1.536 2.507 -7.391 285 HB2 TRP 39 2HB TRP 39 2.674 1.539 -9.509 286 HB3 TRP 39 3HB TRP 39 1.718 0.435 -8.533 287 HD1 TRP 39 HD1 TRP 39 -0.476 -0.618 -9.634 288 HE1 TRP 39 HE1 TRP 39 -1.345 -0.709 -12.045 289 HE3 TRP 39 HE3 TRP 39 2.570 2.910 -11.770 290 HZ2 TRP 39 HZ2 TRP 39 -0.838 0.529 -14.517 291 HZ3 TRP 39 HZ3 TRP 39 2.316 3.393 -14.169 292 HH2 TRP 39 HH2 TRP 39 0.642 2.222 -15.518 293 H SER 40 H SER 40 3.163 3.939 -8.104 294 HA SER 40 HA SER 40 2.302 6.413 -9.216 295 HB2 SER 40 2HB SER 40 5.144 5.421 -8.651 296 HB3 SER 40 3HB SER 40 4.652 7.105 -8.858 297 HG SER 40 HG SER 40 4.890 6.259 -6.642 298 HA PRO 41 HA PRO 41 3.043 5.658 -13.642 299 HB2 PRO 41 2HB PRO 41 4.047 8.509 -13.605 300 HB3 PRO 41 3HB PRO 41 2.868 7.741 -14.695 301 HG2 PRO 41 2HG PRO 41 1.980 9.331 -12.786 302 HG3 PRO 41 3HG PRO 41 1.147 7.788 -13.092 303 HD2 PRO 41 2HD PRO 41 3.092 8.466 -10.880 304 HD3 PRO 41 3HD PRO 41 1.570 7.545 -10.800 305 H SER 42 H SER 42 5.602 7.254 -11.714 306 HA SER 42 HA SER 42 7.817 6.534 -13.363 307 HB2 SER 42 2HB SER 42 7.766 7.174 -10.386 308 HB3 SER 42 3HB SER 42 9.212 7.133 -11.404 309 HG SER 42 HG SER 42 7.954 8.757 -12.716 310 H GLY 43 H GLY 43 5.927 4.779 -11.111 311 HA2 GLY 43 2HA GLY 43 5.686 2.535 -10.796 312 HA3 GLY 43 3HA GLY 43 6.956 2.263 -11.972 313 H ASN 44 H ASN 44 8.176 4.222 -9.505 314 HA ASN 44 HA ASN 44 9.654 1.999 -8.336 315 HB2 ASN 44 2HB ASN 44 9.854 4.981 -7.736 316 HB3 ASN 44 3HB ASN 44 11.019 3.750 -7.251 317 HD21 ASN 44 1HD2 ASN 44 11.325 6.162 -8.935 318 HD22 ASN 44 2HD2 ASN 44 11.999 5.603 -10.426 319 H SER 45 H SER 45 6.675 3.277 -7.595 320 HA SER 45 HA SER 45 6.607 2.423 -4.847 321 HB2 SER 45 2HB SER 45 6.094 4.765 -3.975 322 HB3 SER 45 3HB SER 45 7.767 4.529 -4.484 323 HG SER 45 HG SER 45 7.212 6.374 -5.444 324 H PHE 46 H PHE 46 4.396 3.611 -3.886 325 HA PHE 46 HA PHE 46 2.327 3.863 -5.956 326 HB2 PHE 46 2HB PHE 46 0.804 2.258 -4.903 327 HB3 PHE 46 3HB PHE 46 2.299 1.455 -5.350 328 HD1 PHE 46 HD2 PHE 46 3.938 0.780 -3.554 329 HD2 PHE 46 HD1 PHE 46 0.068 2.341 -2.589 330 HE1 PHE 46 HE2 PHE 46 4.126 -0.133 -1.284 331 HE2 PHE 46 HE1 PHE 46 0.274 1.424 -0.321 332 HZ PHE 46 HZ PHE 46 2.298 0.186 0.336 333 H HIS 47 H HIS 47 0.492 4.991 -5.299 334 HA HIS 47 HA HIS 47 0.777 6.724 -2.939 335 HB2 HIS 47 2HB HIS 47 -0.877 7.038 -5.485 336 HB3 HIS 47 3HB HIS 47 -1.015 8.120 -4.103 337 HD1 HIS 47 HD1 HIS 47 0.234 10.188 -4.440 338 HD2 HIS 47 HD2 HIS 47 2.063 6.997 -6.343 339 HE1 HIS 47 HE1 HIS 47 2.232 11.153 -5.593 340 HE2 HIS 47 HE2 HIS 47 3.440 9.160 -6.534 341 H VAL 48 H VAL 48 -0.939 7.020 -1.531 342 HA VAL 48 HA VAL 48 -3.309 5.263 -1.741 343 HB VAL 48 HB VAL 48 -1.930 6.120 0.862 344 HG11 VAL 48 1HG1 VAL 48 -4.383 5.931 1.120 345 HG12 VAL 48 2HG1 VAL 48 -3.575 4.618 1.978 346 HG13 VAL 48 3HG1 VAL 48 -4.346 4.310 0.420 347 HG21 VAL 48 3HG2 VAL 48 -2.055 3.363 -0.429 348 HG22 VAL 48 1HG2 VAL 48 -1.353 3.724 1.154 349 HG23 VAL 48 2HG2 VAL 48 -0.619 4.380 -0.310 350 H PHE 49 H PHE 49 -5.121 6.420 -1.881 351 HA PHE 49 HA PHE 49 -5.159 9.312 -1.275 352 HB2 PHE 49 2HB PHE 49 -6.788 7.590 -3.209 353 HB3 PHE 49 3HB PHE 49 -7.209 9.259 -2.832 354 HD1 PHE 49 HD1 PHE 49 -4.688 7.092 -4.495 355 HD2 PHE 49 HD2 PHE 49 -5.952 11.101 -3.710 356 HE1 PHE 49 HE1 PHE 49 -3.145 7.930 -6.220 357 HE2 PHE 49 HE2 PHE 49 -4.423 11.923 -5.413 358 HZ PHE 49 HZ PHE 49 -3.011 10.356 -6.670 359 H ASP 50 H ASP 50 -6.804 10.167 -0.044 360 HA ASP 50 HA ASP 50 -8.381 10.359 1.575 361 HB2 ASP 50 2HB ASP 50 -9.745 8.345 -0.265 362 HB3 ASP 50 3HB ASP 50 -10.591 9.235 1.001 363 H GLN 51 H GLN 51 -6.655 9.184 2.854 364 HA GLN 51 HA GLN 51 -6.576 6.448 3.308 365 HB2 GLN 51 2HB GLN 51 -5.659 8.707 5.126 366 HB3 GLN 51 3HB GLN 51 -5.246 7.008 5.370 367 HG2 GLN 51 2HG GLN 51 -4.224 7.042 3.034 368 HG3 GLN 51 3HG GLN 51 -4.410 8.797 3.068 369 HE21 GLN 51 1HE2 GLN 51 -1.988 7.096 2.959 370 HE22 GLN 51 2HE2 GLN 51 -1.017 7.590 4.303 371 H GLY 52 H GLY 52 -8.705 8.797 4.855 372 HA2 GLY 52 2HA GLY 52 -9.639 7.166 6.988 373 HA3 GLY 52 3HA GLY 52 -10.477 8.536 6.288 374 H GLN 53 H GLN 53 -10.961 7.776 3.717 375 HA GLN 53 HA GLN 53 -13.218 6.047 3.961 376 HB2 GLN 53 2HB GLN 53 -13.066 7.972 2.352 377 HB3 GLN 53 3HB GLN 53 -11.841 7.097 1.446 378 HG2 GLN 53 2HG GLN 53 -14.007 6.937 0.329 379 HG3 GLN 53 3HG GLN 53 -13.494 5.341 0.884 380 HE21 GLN 53 1HE2 GLN 53 -15.592 4.548 0.887 381 HE22 GLN 53 2HE2 GLN 53 -16.780 5.015 2.037 382 H PHE 54 H PHE 54 -10.011 5.731 2.565 383 HA PHE 54 HA PHE 54 -10.086 3.193 1.452 384 HB2 PHE 54 2HB PHE 54 -8.250 4.706 0.988 385 HB3 PHE 54 3HB PHE 54 -7.855 4.866 2.688 386 HD1 PHE 54 HD2 PHE 54 -7.474 2.748 -0.312 387 HD2 PHE 54 HD1 PHE 54 -6.505 3.146 3.842 388 HE1 PHE 54 HE2 PHE 54 -5.745 1.013 -0.524 389 HE2 PHE 54 HE1 PHE 54 -4.781 1.425 3.599 390 HZ PHE 54 HZ PHE 54 -4.397 0.354 1.422 391 H ALA 55 H ALA 55 -9.140 4.194 4.747 392 HA ALA 55 HA ALA 55 -8.614 1.635 5.782 393 HB1 ALA 55 3HB ALA 55 -9.617 4.082 7.283 394 HB2 ALA 55 1HB ALA 55 -7.929 3.724 6.904 395 HB3 ALA 55 2HB ALA 55 -8.825 2.677 8.001 396 H LYS 56 H LYS 56 -11.604 3.424 5.451 397 HA LYS 56 HA LYS 56 -13.241 1.865 7.142 398 HB2 LYS 56 2HB LYS 56 -13.821 4.137 6.706 399 HB3 LYS 56 3HB LYS 56 -13.765 3.909 4.968 400 HG2 LYS 56 2HG LYS 56 -15.798 2.262 6.382 401 HG3 LYS 56 3HG LYS 56 -16.065 4.001 6.468 402 HD2 LYS 56 2HD LYS 56 -16.064 4.159 4.021 403 HD3 LYS 56 3HD LYS 56 -15.646 2.446 3.878 404 HE2 LYS 56 2HE LYS 56 -18.023 2.727 3.453 405 HE3 LYS 56 3HE LYS 56 -17.824 1.879 4.986 406 HZ1 LYS 56 3HZ LYS 56 -18.166 4.045 6.113 407 HZ2 LYS 56 1HZ LYS 56 -19.508 3.549 5.206 408 HZ3 LYS 56 2HZ LYS 56 -18.483 4.753 4.610 409 H GLU 57 H GLU 57 -13.004 1.872 3.537 410 HA GLU 57 HA GLU 57 -14.789 -0.494 3.486 411 HB2 GLU 57 2HB GLU 57 -15.047 -0.001 1.050 412 HB3 GLU 57 3HB GLU 57 -15.578 1.305 2.099 413 HG2 GLU 57 2HG GLU 57 -13.698 2.663 1.554 414 HG3 GLU 57 3HG GLU 57 -12.835 1.309 0.836 415 H VAL 58 H VAL 58 -11.504 0.441 2.558 416 HA VAL 58 HA VAL 58 -11.185 -1.772 0.701 417 HB VAL 58 HB VAL 58 -9.302 0.440 1.617 418 HG11 VAL 58 1HG1 VAL 58 -8.839 -1.682 -0.495 419 HG12 VAL 58 2HG1 VAL 58 -7.946 -1.474 1.015 420 HG13 VAL 58 3HG1 VAL 58 -7.825 -0.256 -0.255 421 HG21 VAL 58 3HG2 VAL 58 -11.159 1.256 0.228 422 HG22 VAL 58 1HG2 VAL 58 -10.810 0.042 -1.008 423 HG23 VAL 58 2HG2 VAL 58 -9.654 1.340 -0.687 424 H LEU 59 H LEU 59 -9.823 -0.823 3.878 425 HA LEU 59 HA LEU 59 -7.993 -2.968 4.036 426 HB2 LEU 59 2HB LEU 59 -9.149 -1.241 6.230 427 HB3 LEU 59 3HB LEU 59 -7.932 -2.474 6.526 428 HG LEU 59 HG LEU 59 -7.614 0.059 4.874 429 HD11 LEU 59 1HD1 LEU 59 -6.260 -0.868 7.419 430 HD12 LEU 59 2HD1 LEU 59 -7.473 0.406 7.275 431 HD13 LEU 59 3HD1 LEU 59 -5.888 0.617 6.533 432 HD21 LEU 59 3HD2 LEU 59 -6.422 -1.726 3.708 433 HD22 LEU 59 1HD2 LEU 59 -5.618 -2.210 5.205 434 HD23 LEU 59 2HD2 LEU 59 -5.272 -0.638 4.478 435 HA PRO 60 HA PRO 60 -11.336 -5.563 6.471 436 HB2 PRO 60 2HB PRO 60 -14.001 -4.950 6.021 437 HB3 PRO 60 3HB PRO 60 -13.076 -4.327 7.403 438 HG2 PRO 60 2HG PRO 60 -13.686 -2.980 4.785 439 HG3 PRO 60 3HG PRO 60 -13.776 -2.315 6.438 440 HD2 PRO 60 2HD PRO 60 -11.667 -1.787 4.844 441 HD3 PRO 60 3HD PRO 60 -11.465 -2.013 6.595 442 H LYS 61 H LYS 61 -11.639 -4.307 3.248 443 HA LYS 61 HA LYS 61 -13.019 -6.507 2.038 444 HB2 LYS 61 2HB LYS 61 -12.970 -4.216 1.083 445 HB3 LYS 61 3HB LYS 61 -11.244 -4.370 0.798 446 HG2 LYS 61 2HG LYS 61 -11.643 -6.117 -0.873 447 HG3 LYS 61 3HG LYS 61 -13.380 -6.064 -0.539 448 HD2 LYS 61 2HD LYS 61 -13.460 -3.712 -1.328 449 HD3 LYS 61 3HD LYS 61 -11.723 -3.755 -1.645 450 HE2 LYS 61 2HE LYS 61 -13.780 -5.518 -3.024 451 HE3 LYS 61 3HE LYS 61 -13.103 -4.040 -3.706 452 HZ1 LYS 61 3HZ LYS 61 -12.030 -6.092 -4.505 453 HZ2 LYS 61 1HZ LYS 61 -11.482 -6.412 -2.941 454 HZ3 LYS 61 2HZ LYS 61 -10.941 -5.036 -3.764 455 H TYR 62 H TYR 62 -9.557 -5.579 2.214 456 HA TYR 62 HA TYR 62 -8.740 -8.181 1.063 457 HB2 TYR 62 2HB TYR 62 -7.140 -5.653 1.642 458 HB3 TYR 62 3HB TYR 62 -6.417 -7.144 1.031 459 HD1 TYR 62 HD2 TYR 62 -8.979 -4.543 0.235 460 HD2 TYR 62 HD1 TYR 62 -6.492 -7.652 -1.323 461 HE1 TYR 62 HE2 TYR 62 -9.647 -3.940 -2.025 462 HE2 TYR 62 HE1 TYR 62 -7.175 -7.039 -3.606 463 HH TYR 62 HH TYR 62 -8.657 -4.173 -4.391 464 H PHE 63 H PHE 63 -8.148 -6.248 3.953 465 HA PHE 63 HA PHE 63 -6.836 -8.526 5.322 466 HB2 PHE 63 2HB PHE 63 -6.986 -5.590 6.166 467 HB3 PHE 63 3HB PHE 63 -5.982 -6.838 6.897 468 HD1 PHE 63 HD2 PHE 63 -4.060 -7.831 5.548 469 HD2 PHE 63 HD1 PHE 63 -6.219 -4.370 4.234 470 HE1 PHE 63 HE2 PHE 63 -2.255 -7.286 3.972 471 HE2 PHE 63 HE1 PHE 63 -4.405 -3.839 2.661 472 HZ PHE 63 HZ PHE 63 -2.423 -5.297 2.527 473 H LYS 64 H LYS 64 -7.447 -7.965 7.987 474 HA LYS 64 HA LYS 64 -10.391 -8.316 8.090 475 HB2 LYS 64 2HB LYS 64 -8.280 -9.747 9.763 476 HB3 LYS 64 3HB LYS 64 -10.021 -9.923 9.959 477 HG2 LYS 64 2HG LYS 64 -8.382 -10.766 7.546 478 HG3 LYS 64 3HG LYS 64 -9.087 -11.834 8.763 479 HD2 LYS 64 2HD LYS 64 -10.665 -10.059 6.839 480 HD3 LYS 64 3HD LYS 64 -10.409 -11.794 6.653 481 HE2 LYS 64 2HE LYS 64 -11.672 -12.209 8.741 482 HE3 LYS 64 3HE LYS 64 -11.912 -10.470 8.944 483 HZ1 LYS 64 3HZ LYS 64 -13.077 -10.482 6.783 484 HZ2 LYS 64 1HZ LYS 64 -13.850 -11.405 7.970 485 HZ3 LYS 64 2HZ LYS 64 -12.962 -12.166 6.752 486 H HIS 65 H HIS 65 -9.428 -5.823 8.282 487 HA HIS 65 HA HIS 65 -10.231 -4.928 10.875 488 HB2 HIS 65 2HB HIS 65 -8.137 -3.799 11.563 489 HB3 HIS 65 3HB HIS 65 -7.900 -5.536 11.482 490 HD1 HIS 65 HD1 HIS 65 -6.737 -2.325 9.975 491 HD2 HIS 65 HD2 HIS 65 -6.147 -6.401 9.410 492 HE1 HIS 65 HE1 HIS 65 -4.688 -2.518 8.531 493 HE2 HIS 65 HE2 HIS 65 -4.251 -4.989 8.379 494 H ASN 66 H ASN 66 -10.107 -2.510 10.985 495 HA ASN 66 HA ASN 66 -10.142 -1.221 8.310 496 HB2 ASN 66 2HB ASN 66 -12.002 0.263 9.153 497 HB3 ASN 66 3HB ASN 66 -12.458 -1.420 8.944 498 HD21 ASN 66 1HD2 ASN 66 -14.229 -1.151 10.351 499 HD22 ASN 66 2HD2 ASN 66 -14.031 -1.018 12.061 500 H ASN 67 H ASN 67 -8.930 -1.269 11.469 501 HA ASN 67 HA ASN 67 -8.110 1.418 11.853 502 HB2 ASN 67 2HB ASN 67 -8.137 -0.221 13.686 503 HB3 ASN 67 3HB ASN 67 -6.956 -1.227 12.856 504 HD21 ASN 67 1HD2 ASN 67 -7.440 1.721 14.690 505 HD22 ASN 67 2HD2 ASN 67 -5.768 1.968 15.060 506 H MET 68 H MET 68 -6.676 2.543 10.645 507 HA MET 68 HA MET 68 -5.002 1.145 8.683 508 HB2 MET 68 2HB MET 68 -6.383 3.112 7.942 509 HB3 MET 68 3HB MET 68 -5.378 4.159 8.940 510 HG2 MET 68 2HG MET 68 -3.420 3.559 7.597 511 HG3 MET 68 3HG MET 68 -4.397 2.426 6.657 512 HE1 MET 68 3HE MET 68 -3.789 5.036 3.966 513 HE2 MET 68 1HE MET 68 -3.771 3.334 4.425 514 HE3 MET 68 2HE MET 68 -2.637 4.463 5.174 515 H ALA 69 H ALA 69 -4.669 2.745 11.734 516 HA ALA 69 HA ALA 69 -1.967 3.432 11.802 517 HB1 ALA 69 3HB ALA 69 -3.530 3.902 13.654 518 HB2 ALA 69 1HB ALA 69 -2.092 3.059 14.238 519 HB3 ALA 69 2HB ALA 69 -3.611 2.180 14.034 520 H SER 70 H SER 70 -3.534 0.296 12.135 521 HA SER 70 HA SER 70 -1.299 -1.353 12.653 522 HB2 SER 70 2HB SER 70 -3.600 -2.094 13.079 523 HB3 SER 70 3HB SER 70 -3.994 -1.971 11.367 524 HG SER 70 HG SER 70 -1.911 -3.645 12.279 525 H PHE 71 H PHE 71 -2.908 -0.376 9.615 526 HA PHE 71 HA PHE 71 -1.561 -2.127 7.840 527 HB2 PHE 71 2HB PHE 71 -3.683 -1.112 7.207 528 HB3 PHE 71 3HB PHE 71 -3.032 0.508 7.408 529 HD1 PHE 71 HD1 PHE 71 -2.519 -2.601 5.336 530 HD2 PHE 71 HD2 PHE 71 -2.285 1.679 5.487 531 HE1 PHE 71 HE1 PHE 71 -1.993 -2.532 2.932 532 HE2 PHE 71 HE2 PHE 71 -1.756 1.725 3.089 533 HZ PHE 71 HZ PHE 71 -1.610 -0.374 1.810 534 H VAL 72 H VAL 72 -1.040 1.332 8.558 535 HA VAL 72 HA VAL 72 1.302 1.725 7.048 536 HB VAL 72 HB VAL 72 0.359 3.244 9.528 537 HG11 VAL 72 1HG1 VAL 72 1.730 5.130 8.682 538 HG12 VAL 72 2HG1 VAL 72 2.312 4.115 7.359 539 HG13 VAL 72 3HG1 VAL 72 2.734 3.716 9.026 540 HG21 VAL 72 3HG2 VAL 72 -1.356 3.227 7.741 541 HG22 VAL 72 1HG2 VAL 72 -0.167 3.830 6.582 542 HG23 VAL 72 2HG2 VAL 72 -0.673 4.845 7.937 543 H ARG 73 H ARG 73 0.799 0.728 10.439 544 HA ARG 73 HA ARG 73 3.406 0.843 11.447 545 HB2 ARG 73 2HB ARG 73 1.341 0.490 12.784 546 HB3 ARG 73 3HB ARG 73 1.191 -1.131 12.125 547 HG2 ARG 73 2HG ARG 73 3.275 -1.790 13.287 548 HG3 ARG 73 3HG ARG 73 3.433 -0.148 13.928 549 HD2 ARG 73 2HD ARG 73 1.196 -0.435 15.047 550 HD3 ARG 73 3HD ARG 73 1.186 -2.117 14.508 551 HE ARG 73 HE ARG 73 3.540 -1.831 15.888 552 HH11 ARG 73 1HH1 ARG 73 0.136 -1.344 16.690 553 HH12 ARG 73 2HH1 ARG 73 0.355 -1.727 18.369 554 HH21 ARG 73 1HH2 ARG 73 3.796 -2.327 18.101 555 HH22 ARG 73 2HH2 ARG 73 2.423 -2.281 19.160 556 H GLN 74 H GLN 74 1.753 -1.752 9.650 557 HA GLN 74 HA GLN 74 3.804 -3.699 9.750 558 HB2 GLN 74 2HB GLN 74 1.749 -3.307 7.538 559 HB3 GLN 74 3HB GLN 74 2.691 -4.769 7.821 560 HG2 GLN 74 2HG GLN 74 0.488 -3.626 9.561 561 HG3 GLN 74 3HG GLN 74 0.434 -5.104 8.607 562 HE21 GLN 74 1HE2 GLN 74 1.571 -3.613 11.539 563 HE22 GLN 74 2HE2 GLN 74 2.074 -5.066 12.329 564 H LEU 75 H LEU 75 3.065 -1.111 7.408 565 HA LEU 75 HA LEU 75 5.028 -1.713 5.477 566 HB2 LEU 75 2HB LEU 75 3.653 0.906 6.177 567 HB3 LEU 75 3HB LEU 75 4.635 0.675 4.735 568 HG LEU 75 HG LEU 75 2.147 -0.984 5.321 569 HD11 LEU 75 1HD1 LEU 75 0.922 0.409 3.753 570 HD12 LEU 75 2HD1 LEU 75 2.317 1.480 3.582 571 HD13 LEU 75 3HD1 LEU 75 1.482 1.351 5.133 572 HD21 LEU 75 3HD2 LEU 75 2.231 -1.540 2.934 573 HD22 LEU 75 1HD2 LEU 75 3.711 -2.034 3.754 574 HD23 LEU 75 2HD2 LEU 75 3.706 -0.583 2.746 575 H ASN 76 H ASN 76 5.180 0.405 8.366 576 HA ASN 76 HA ASN 76 7.782 1.404 8.115 577 HB2 ASN 76 2HB ASN 76 6.126 0.735 10.574 578 HB3 ASN 76 3HB ASN 76 7.752 1.405 10.718 579 HD21 ASN 76 1HD2 ASN 76 4.469 2.058 9.806 580 HD22 ASN 76 2HD2 ASN 76 4.635 3.769 9.681 581 H MET 77 H MET 77 6.677 -1.729 9.375 582 HA MET 77 HA MET 77 9.254 -2.680 10.195 583 HB2 MET 77 2HB MET 77 6.811 -4.332 9.441 584 HB3 MET 77 3HB MET 77 8.204 -4.892 10.358 585 HG2 MET 77 2HG MET 77 7.592 -3.221 12.138 586 HG3 MET 77 3HG MET 77 6.097 -2.913 11.246 587 HE1 MET 77 3HE MET 77 4.656 -6.719 11.351 588 HE2 MET 77 1HE MET 77 5.841 -6.156 10.170 589 HE3 MET 77 2HE MET 77 4.443 -5.156 10.567 590 H TYR 78 H TYR 78 7.443 -2.709 7.174 591 HA TYR 78 HA TYR 78 9.173 -4.619 5.826 592 HB2 TYR 78 2HB TYR 78 6.723 -3.042 4.991 593 HB3 TYR 78 3HB TYR 78 7.708 -3.856 3.783 594 HD1 TYR 78 HD1 TYR 78 8.081 -6.406 4.062 595 HD2 TYR 78 HD2 TYR 78 5.031 -4.282 6.152 596 HE1 TYR 78 HE1 TYR 78 6.864 -8.507 4.432 597 HE2 TYR 78 HE2 TYR 78 3.816 -6.372 6.527 598 HH TYR 78 HH TYR 78 3.660 -8.573 5.852 599 H GLY 79 H GLY 79 9.378 -1.330 6.533 600 HA2 GLY 79 2HA GLY 79 11.075 0.130 6.028 601 HA3 GLY 79 3HA GLY 79 11.689 -1.001 4.836 602 H PHE 80 H PHE 80 8.342 -0.017 4.604 603 HA PHE 80 HA PHE 80 8.795 1.489 2.156 604 HB2 PHE 80 2HB PHE 80 6.274 0.786 3.723 605 HB3 PHE 80 3HB PHE 80 6.235 1.885 2.348 606 HD1 PHE 80 HD2 PHE 80 6.609 1.062 0.062 607 HD2 PHE 80 HD1 PHE 80 6.631 -1.628 3.390 608 HE1 PHE 80 HE2 PHE 80 6.387 -0.846 -1.471 609 HE2 PHE 80 HE1 PHE 80 6.403 -3.529 1.849 610 HZ PHE 80 HZ PHE 80 6.279 -3.142 -0.580 611 H ARG 81 H ARG 81 8.616 3.713 1.969 612 HA ARG 81 HA ARG 81 9.051 5.183 4.496 613 HB2 ARG 81 2HB ARG 81 10.877 5.036 2.750 614 HB3 ARG 81 3HB ARG 81 9.857 5.973 1.667 615 HG2 ARG 81 2HG ARG 81 9.976 7.907 3.147 616 HG3 ARG 81 3HG ARG 81 10.829 6.961 4.372 617 HD2 ARG 81 2HD ARG 81 11.868 7.742 1.624 618 HD3 ARG 81 3HD ARG 81 12.425 8.364 3.184 619 HE ARG 81 HE ARG 81 12.675 5.500 2.958 620 HH11 ARG 81 1HH1 ARG 81 14.333 8.514 2.186 621 HH12 ARG 81 2HH1 ARG 81 15.889 7.757 2.107 622 HH21 ARG 81 1HH2 ARG 81 14.690 4.540 2.821 623 HH22 ARG 81 2HH2 ARG 81 16.087 5.498 2.468 624 H LYS 82 H LYS 82 7.566 6.616 5.148 625 HA LYS 82 HA LYS 82 5.214 7.417 3.791 626 HB2 LYS 82 2HB LYS 82 5.320 7.417 6.227 627 HB3 LYS 82 3HB LYS 82 6.725 8.467 6.229 628 HG2 LYS 82 2HG LYS 82 4.994 9.887 6.920 629 HG3 LYS 82 3HG LYS 82 5.162 10.272 5.205 630 HD2 LYS 82 2HD LYS 82 3.229 8.692 4.752 631 HD3 LYS 82 3HD LYS 82 3.019 8.527 6.495 632 HE2 LYS 82 2HE LYS 82 2.703 11.036 6.602 633 HE3 LYS 82 3HE LYS 82 2.721 11.054 4.835 634 HZ1 LYS 82 3HZ LYS 82 0.707 9.838 6.636 635 HZ2 LYS 82 1HZ LYS 82 0.807 9.439 4.996 636 HZ3 LYS 82 2HZ LYS 82 0.484 11.022 5.455 637 H VAL 83 H VAL 83 5.214 8.753 1.998 638 HA VAL 83 HA VAL 83 6.941 11.171 2.016 639 HB VAL 83 HB VAL 83 6.000 9.634 -0.457 640 HG11 VAL 83 1HG1 VAL 83 7.494 11.165 -1.726 641 HG12 VAL 83 2HG1 VAL 83 7.838 12.051 -0.239 642 HG13 VAL 83 3HG1 VAL 83 6.202 12.042 -0.901 643 HG21 VAL 83 3HG2 VAL 83 7.746 8.356 0.713 644 HG22 VAL 83 1HG2 VAL 83 8.793 9.778 0.754 645 HG23 VAL 83 2HG2 VAL 83 8.388 9.021 -0.790 646 H VAL 84 H VAL 84 5.780 12.971 2.160 647 HA VAL 84 HA VAL 84 2.851 12.937 1.923 648 HB VAL 84 HB VAL 84 4.685 15.181 2.911 649 HG11 VAL 84 1HG1 VAL 84 1.710 14.744 3.365 650 HG12 VAL 84 2HG1 VAL 84 2.422 15.961 2.305 651 HG13 VAL 84 3HG1 VAL 84 2.673 16.058 4.049 652 HG21 VAL 84 3HG2 VAL 84 3.310 13.030 4.572 653 HG22 VAL 84 1HG2 VAL 84 4.196 14.417 5.216 654 HG23 VAL 84 2HG2 VAL 84 5.050 13.175 4.297 655 H HIS 85 H HIS 85 1.899 13.654 0.042 656 HA HIS 85 HA HIS 85 3.438 15.462 -1.753 657 HB2 HIS 85 2HB HIS 85 1.283 13.425 -2.365 658 HB3 HIS 85 3HB HIS 85 1.783 14.642 -3.534 659 HD1 HIS 85 HD1 HIS 85 3.753 14.075 -4.962 660 HD2 HIS 85 HD2 HIS 85 3.511 11.622 -1.615 661 HE1 HIS 85 HE1 HIS 85 5.526 12.331 -5.271 662 HE2 HIS 85 HE2 HIS 85 5.337 10.841 -3.262 663 H ILE 86 H ILE 86 0.069 14.870 -0.609 664 HA ILE 86 HA ILE 86 -0.818 17.536 -1.165 665 HB ILE 86 HB ILE 86 -1.902 15.460 0.798 666 HG12 ILE 86 2HG1 ILE 86 -2.201 14.888 -1.610 667 HG13 ILE 86 3HG1 ILE 86 -3.747 15.189 -0.828 668 HG21 ILE 86 1HG2 ILE 86 -3.095 18.184 0.116 669 HG22 ILE 86 2HG2 ILE 86 -2.486 17.664 1.690 670 HG23 ILE 86 3HG2 ILE 86 -3.931 16.913 1.015 671 HD11 ILE 86 3HD1 ILE 86 -3.688 16.126 -3.048 672 HD12 ILE 86 1HD1 ILE 86 -2.269 17.093 -2.646 673 HD13 ILE 86 2HD1 ILE 86 -3.817 17.419 -1.855 674 H GLU 87 H GLU 87 -0.031 19.273 -0.224 675 HA GLU 87 HA GLU 87 1.729 19.290 2.003 676 HB2 GLU 87 2HB GLU 87 0.278 21.569 0.585 677 HB3 GLU 87 3HB GLU 87 1.642 21.767 1.688 678 HG2 GLU 87 2HG GLU 87 3.160 20.702 0.174 679 HG3 GLU 87 3HG GLU 87 1.851 20.094 -0.840 680 H GLN 88 H GLN 88 1.190 19.214 4.094 681 HA GLN 88 HA GLN 88 -1.519 19.109 4.992 682 HB2 GLN 88 2HB GLN 88 1.071 19.126 6.614 683 HB3 GLN 88 3HB GLN 88 -0.523 18.720 7.247 684 HG2 GLN 88 2HG GLN 88 0.988 17.158 5.117 685 HG3 GLN 88 3HG GLN 88 0.831 16.713 6.816 686 HE21 GLN 88 1HE2 GLN 88 -0.782 16.834 3.731 687 HE22 GLN 88 2HE2 GLN 88 -2.167 15.908 4.187 688 H GLY 89 H GLY 89 -2.493 21.018 4.692 689 HA2 GLY 89 2HA GLY 89 -2.472 22.930 6.748 690 HA3 GLY 89 3HA GLY 89 -1.606 23.594 5.364 691 H GLY 90 H GLY 90 -3.951 24.707 6.333 692 HA2 GLY 90 2HA GLY 90 -6.272 24.003 4.825 693 HA3 GLY 90 3HA GLY 90 -5.991 25.521 5.659 694 H LEU 91 H LEU 91 -5.442 23.762 2.683 695 HA LEU 91 HA LEU 91 -4.902 26.273 1.196 696 HB2 LEU 91 2HB LEU 91 -3.962 23.439 0.566 697 HB3 LEU 91 3HB LEU 91 -3.654 24.853 -0.432 698 HG LEU 91 HG LEU 91 -2.546 24.371 2.372 699 HD11 LEU 91 1HD1 LEU 91 -1.480 22.959 0.686 700 HD12 LEU 91 2HD1 LEU 91 -0.370 24.182 1.294 701 HD13 LEU 91 3HD1 LEU 91 -1.112 24.381 -0.297 702 HD21 LEU 91 3HD2 LEU 91 -2.052 26.713 0.501 703 HD22 LEU 91 1HD2 LEU 91 -1.206 26.404 2.024 704 HD23 LEU 91 2HD2 LEU 91 -2.930 26.759 2.034 705 H VAL 92 H VAL 92 -5.555 26.040 -1.186 706 HA VAL 92 HA VAL 92 -8.342 25.439 -1.385 707 HB VAL 92 HB VAL 92 -7.135 27.279 -2.642 708 HG11 VAL 92 1HG1 VAL 92 -6.167 25.050 -4.472 709 HG12 VAL 92 2HG1 VAL 92 -5.159 26.023 -3.401 710 HG13 VAL 92 3HG1 VAL 92 -5.984 26.785 -4.761 711 HG21 VAL 92 3HG2 VAL 92 -8.479 27.105 -4.722 712 HG22 VAL 92 1HG2 VAL 92 -9.418 26.682 -3.288 713 HG23 VAL 92 2HG2 VAL 92 -8.817 25.410 -4.354 714 H LYS 93 H LYS 93 -5.457 23.637 -2.012 715 HA LYS 93 HA LYS 93 -6.473 21.651 -3.798 716 HB2 LYS 93 2HB LYS 93 -4.357 20.504 -3.390 717 HB3 LYS 93 3HB LYS 93 -4.055 22.230 -3.562 718 HG2 LYS 93 2HG LYS 93 -3.981 22.357 -1.018 719 HG3 LYS 93 3HG LYS 93 -4.020 20.588 -1.003 720 HD2 LYS 93 2HD LYS 93 -1.899 22.314 -2.358 721 HD3 LYS 93 3HD LYS 93 -1.701 21.471 -0.822 722 HE2 LYS 93 2HE LYS 93 -1.737 19.328 -1.890 723 HE3 LYS 93 3HE LYS 93 -2.334 20.005 -3.404 724 HZ1 LYS 93 3HZ LYS 93 0.345 20.516 -2.245 725 HZ2 LYS 93 1HZ LYS 93 -0.248 21.139 -3.695 726 HZ3 LYS 93 2HZ LYS 93 0.005 19.476 -3.538 727 HA PRO 94 HA PRO 94 -8.865 18.968 -1.257 728 HB2 PRO 94 2HB PRO 94 -7.919 16.391 -1.717 729 HB3 PRO 94 3HB PRO 94 -8.901 17.301 -2.892 730 HG2 PRO 94 2HG PRO 94 -5.905 17.082 -2.716 731 HG3 PRO 94 3HG PRO 94 -6.949 16.828 -4.141 732 HD2 PRO 94 2HD PRO 94 -5.705 19.153 -3.870 733 HD3 PRO 94 3HD PRO 94 -7.420 19.162 -4.351 734 H GLU 95 H GLU 95 -8.983 18.216 0.769 735 HA GLU 95 HA GLU 95 -6.689 18.489 2.520 736 HB2 GLU 95 2HB GLU 95 -8.309 18.341 4.360 737 HB3 GLU 95 3HB GLU 95 -8.856 19.503 3.152 738 HG2 GLU 95 2HG GLU 95 -10.477 17.914 2.274 739 HG3 GLU 95 3HG GLU 95 -9.856 16.643 3.325 740 H ARG 96 H ARG 96 -7.821 15.955 0.729 741 HA ARG 96 HA ARG 96 -7.691 13.691 2.366 742 HB2 ARG 96 2HB ARG 96 -7.230 12.398 0.346 743 HB3 ARG 96 3HB ARG 96 -8.398 13.652 -0.050 744 HG2 ARG 96 2HG ARG 96 -6.633 15.017 -1.083 745 HG3 ARG 96 3HG ARG 96 -5.424 13.803 -0.653 746 HD2 ARG 96 2HD ARG 96 -6.580 12.159 -2.108 747 HD3 ARG 96 3HD ARG 96 -7.764 13.393 -2.552 748 HE ARG 96 HE ARG 96 -4.890 13.808 -3.081 749 HH11 ARG 96 1HH1 ARG 96 -8.151 13.464 -4.374 750 HH12 ARG 96 2HH1 ARG 96 -7.695 13.966 -5.966 751 HH21 ARG 96 1HH2 ARG 96 -4.317 14.407 -5.178 752 HH22 ARG 96 2HH2 ARG 96 -5.516 14.498 -6.419 753 H ASP 97 H ASP 97 -5.939 12.217 2.748 754 HA ASP 97 HA ASP 97 -3.276 13.490 2.865 755 HB2 ASP 97 2HB ASP 97 -4.351 12.379 4.947 756 HB3 ASP 97 3HB ASP 97 -4.043 10.836 4.169 757 H ASP 98 H ASP 98 -2.055 13.068 1.106 758 HA ASP 98 HA ASP 98 -2.340 10.493 -0.300 759 HB2 ASP 98 2HB ASP 98 -2.504 12.493 -1.777 760 HB3 ASP 98 3HB ASP 98 -0.922 13.041 -1.230 761 H THR 99 H THR 99 -0.884 9.034 0.191 762 HA THR 99 HA THR 99 1.806 9.867 1.095 763 HB THR 99 HB THR 99 0.269 7.409 2.044 764 HG1 THR 99 HG1 THR 99 -0.335 9.579 2.906 765 HG21 THR 99 3HG2 THR 99 3.013 8.478 2.823 766 HG22 THR 99 1HG2 THR 99 2.708 7.006 1.899 767 HG23 THR 99 2HG2 THR 99 2.193 7.114 3.584 768 H GLU 100 H GLU 100 3.355 9.139 -0.155 769 HA GLU 100 HA GLU 100 2.873 6.925 -2.042 770 HB2 GLU 100 2HB GLU 100 3.678 9.114 -2.973 771 HB3 GLU 100 3HB GLU 100 5.122 8.986 -1.974 772 HG2 GLU 100 2HG GLU 100 5.718 6.879 -3.163 773 HG3 GLU 100 3HG GLU 100 4.306 7.092 -4.197 774 H PHE 101 H PHE 101 3.411 5.031 -1.056 775 HA PHE 101 HA PHE 101 5.623 4.912 0.879 776 HB2 PHE 101 2HB PHE 101 3.548 2.844 0.018 777 HB3 PHE 101 3HB PHE 101 4.863 2.485 1.129 778 HD1 PHE 101 HD1 PHE 101 5.008 3.953 3.294 779 HD2 PHE 101 HD2 PHE 101 1.471 3.612 0.888 780 HE1 PHE 101 HE1 PHE 101 3.625 4.627 5.215 781 HE2 PHE 101 HE2 PHE 101 0.101 4.294 2.813 782 HZ PHE 101 HZ PHE 101 1.173 4.798 4.978 783 H GLN 102 H GLN 102 7.588 4.373 0.201 784 HA GLN 102 HA GLN 102 7.932 3.067 -2.428 785 HB2 GLN 102 2HB GLN 102 9.864 4.503 -2.859 786 HB3 GLN 102 3HB GLN 102 8.427 5.479 -2.589 787 HG2 GLN 102 2HG GLN 102 9.191 6.033 -0.331 788 HG3 GLN 102 3HG GLN 102 10.603 4.996 -0.529 789 HE21 GLN 102 1HE2 GLN 102 10.530 7.824 0.072 790 HE22 GLN 102 2HE2 GLN 102 11.384 8.631 -1.191 791 H HIS 103 H HIS 103 9.449 1.536 -2.612 792 HA HIS 103 HA HIS 103 11.458 1.077 -0.547 793 HB2 HIS 103 2HB HIS 103 9.370 -0.318 0.022 794 HB3 HIS 103 3HB HIS 103 9.641 -1.204 -1.474 795 HD1 HIS 103 HD1 HIS 103 11.493 -2.994 -1.454 796 HD2 HIS 103 HD2 HIS 103 11.280 -0.804 2.059 797 HE1 HIS 103 HE1 HIS 103 13.047 -4.135 0.161 798 HE2 HIS 103 HE2 HIS 103 12.897 -2.783 2.275 799 HA PRO 104 HA PRO 104 13.698 0.848 -4.398 800 HB2 PRO 104 2HB PRO 104 16.058 -0.346 -3.565 801 HB3 PRO 104 3HB PRO 104 15.632 1.346 -3.216 802 HG2 PRO 104 2HG PRO 104 15.286 -1.077 -1.450 803 HG3 PRO 104 3HG PRO 104 15.964 0.516 -1.044 804 HD2 PRO 104 2HD PRO 104 13.436 -0.082 -0.385 805 HD3 PRO 104 3HD PRO 104 13.852 1.550 -0.958 806 H CYS 105 H CYS 105 13.072 -2.096 -2.624 807 HA CYS 105 HA CYS 105 13.516 -3.780 -5.017 808 HB2 CYS 105 2HB CYS 105 14.526 -4.473 -2.814 809 HB3 CYS 105 3HB CYS 105 12.900 -4.638 -2.156 810 HG CYS 105 HG CYS 105 13.521 -6.382 -4.969 811 H PHE 106 H PHE 106 11.300 -1.862 -4.823 812 HA PHE 106 HA PHE 106 9.133 -3.755 -5.519 813 HB2 PHE 106 2HB PHE 106 8.508 -2.809 -3.328 814 HB3 PHE 106 3HB PHE 106 8.852 -1.180 -3.890 815 HD1 PHE 106 HD1 PHE 106 6.567 -4.095 -4.500 816 HD2 PHE 106 HD2 PHE 106 7.102 0.144 -4.861 817 HE1 PHE 106 HE1 PHE 106 4.224 -3.849 -5.210 818 HE2 PHE 106 HE2 PHE 106 4.763 0.371 -5.569 819 HZ PHE 106 HZ PHE 106 3.322 -1.618 -5.749 820 H LEU 107 H LEU 107 9.153 -3.524 -7.724 821 HA LEU 107 HA LEU 107 8.945 -0.780 -8.848 822 HB2 LEU 107 2HB LEU 107 9.878 -3.350 -10.181 823 HB3 LEU 107 3HB LEU 107 9.763 -1.781 -10.970 824 HG LEU 107 HG LEU 107 11.663 -2.473 -8.689 825 HD11 LEU 107 1HD1 LEU 107 12.260 -3.634 -10.753 826 HD12 LEU 107 2HD1 LEU 107 13.442 -2.380 -10.365 827 HD13 LEU 107 3HD1 LEU 107 12.246 -2.104 -11.639 828 HD21 LEU 107 3HD2 LEU 107 11.038 -0.104 -8.627 829 HD22 LEU 107 1HD2 LEU 107 11.443 0.077 -10.340 830 HD23 LEU 107 2HD2 LEU 107 12.707 -0.286 -9.159 831 H ARG 108 H ARG 108 6.776 -0.425 -8.968 832 HA ARG 108 HA ARG 108 4.598 -0.515 -9.526 833 HB2 ARG 108 2HB ARG 108 5.474 -0.216 -11.756 834 HB3 ARG 108 3HB ARG 108 5.830 -1.932 -11.911 835 HG2 ARG 108 2HG ARG 108 3.356 -2.401 -11.872 836 HG3 ARG 108 3HG ARG 108 3.057 -0.659 -11.869 837 HD2 ARG 108 2HD ARG 108 3.966 -0.410 -14.064 838 HD3 ARG 108 3HD ARG 108 4.710 -2.013 -14.024 839 HE ARG 108 HE ARG 108 1.797 -1.901 -13.878 840 HH11 ARG 108 1HH1 ARG 108 4.612 -2.410 -15.920 841 HH12 ARG 108 2HH1 ARG 108 3.720 -3.238 -17.154 842 HH21 ARG 108 1HH2 ARG 108 0.642 -3.030 -15.490 843 HH22 ARG 108 2HH2 ARG 108 1.461 -3.589 -16.908 844 H GLY 109 H GLY 109 5.372 -3.703 -10.904 845 HA2 GLY 109 2HA GLY 109 3.794 -5.086 -8.851 846 HA3 GLY 109 3HA GLY 109 3.347 -5.253 -10.548 847 H GLN 110 H GLN 110 6.571 -4.989 -9.208 848 HA GLN 110 HA GLN 110 7.402 -7.524 -10.345 849 HB2 GLN 110 2HB GLN 110 8.760 -5.140 -9.860 850 HB3 GLN 110 3HB GLN 110 9.262 -6.093 -8.474 851 HG2 GLN 110 2HG GLN 110 10.905 -6.335 -10.209 852 HG3 GLN 110 3HG GLN 110 10.068 -7.872 -10.020 853 HE21 GLN 110 1HE2 GLN 110 8.852 -5.030 -11.778 854 HE22 GLN 110 2HE2 GLN 110 8.912 -5.757 -13.337 855 H GLU 111 H GLU 111 5.812 -8.686 -9.178 856 HA GLU 111 HA GLU 111 5.393 -8.668 -6.412 857 HB2 GLU 111 2HB GLU 111 4.104 -10.811 -6.870 858 HB3 GLU 111 3HB GLU 111 3.636 -9.418 -7.839 859 HG2 GLU 111 2HG GLU 111 4.919 -10.287 -9.746 860 HG3 GLU 111 3HG GLU 111 5.434 -11.678 -8.786 861 H GLN 112 H GLN 112 7.634 -10.586 -8.341 862 HA GLN 112 HA GLN 112 8.287 -12.475 -6.318 863 HB2 GLN 112 2HB GLN 112 10.079 -13.211 -7.706 864 HB3 GLN 112 3HB GLN 112 8.770 -12.782 -8.796 865 HG2 GLN 112 2HG GLN 112 11.008 -10.823 -8.224 866 HG3 GLN 112 3HG GLN 112 11.218 -12.120 -9.390 867 HE21 GLN 112 1HE2 GLN 112 11.537 -10.663 -11.056 868 HE22 GLN 112 2HE2 GLN 112 10.247 -9.746 -11.751 869 H LEU 113 H LEU 113 9.115 -9.139 -6.663 870 HA LEU 113 HA LEU 113 11.548 -9.334 -5.061 871 HB2 LEU 113 2HB LEU 113 10.107 -6.914 -6.199 872 HB3 LEU 113 3HB LEU 113 11.581 -6.826 -5.246 873 HG LEU 113 HG LEU 113 11.245 -7.991 -8.032 874 HD11 LEU 113 1HD1 LEU 113 11.484 -5.567 -7.942 875 HD12 LEU 113 2HD1 LEU 113 12.916 -6.305 -8.653 876 HD13 LEU 113 3HD1 LEU 113 12.963 -5.720 -6.986 877 HD21 LEU 113 3HD2 LEU 113 13.629 -8.603 -7.982 878 HD22 LEU 113 1HD2 LEU 113 12.702 -9.521 -6.800 879 HD23 LEU 113 2HD2 LEU 113 13.716 -8.174 -6.270 880 H LEU 114 H LEU 114 8.181 -9.039 -4.485 881 HA LEU 114 HA LEU 114 8.137 -7.527 -2.097 882 HB2 LEU 114 2HB LEU 114 6.295 -9.740 -3.052 883 HB3 LEU 114 3HB LEU 114 5.964 -8.738 -1.646 884 HG LEU 114 HG LEU 114 6.208 -7.692 -4.500 885 HD11 LEU 114 1HD1 LEU 114 3.782 -7.412 -4.435 886 HD12 LEU 114 2HD1 LEU 114 3.717 -8.156 -2.834 887 HD13 LEU 114 3HD1 LEU 114 4.225 -9.107 -4.236 888 HD21 LEU 114 3HD2 LEU 114 5.330 -6.273 -1.959 889 HD22 LEU 114 1HD2 LEU 114 5.284 -5.597 -3.592 890 HD23 LEU 114 2HD2 LEU 114 6.830 -5.990 -2.847 891 H GLU 115 H GLU 115 8.846 -10.940 -2.691 892 HA GLU 115 HA GLU 115 8.811 -11.760 0.067 893 HB2 GLU 115 2HB GLU 115 9.795 -13.857 -0.734 894 HB3 GLU 115 3HB GLU 115 8.424 -13.373 -1.726 895 HG2 GLU 115 2HG GLU 115 9.899 -12.588 -3.483 896 HG3 GLU 115 3HG GLU 115 11.320 -12.919 -2.491 897 H ASN 116 H ASN 116 10.992 -9.839 -1.631 898 HA ASN 116 HA ASN 116 13.316 -10.518 0.074 899 HB2 ASN 116 2HB ASN 116 13.149 -8.622 -2.324 900 HB3 ASN 116 3HB ASN 116 14.616 -9.075 -1.456 901 HD21 ASN 116 1HD2 ASN 116 12.108 -10.206 -3.598 902 HD22 ASN 116 2HD2 ASN 116 12.961 -11.569 -4.214 903 H ILE 117 H ILE 117 10.624 -8.538 -0.009 904 HA ILE 117 HA ILE 117 11.745 -6.290 1.509 905 HB ILE 117 HB ILE 117 8.837 -6.862 0.709 906 HG12 ILE 117 2HG1 ILE 117 10.900 -5.051 -0.631 907 HG13 ILE 117 3HG1 ILE 117 10.230 -6.532 -1.303 908 HG21 ILE 117 1HG2 ILE 117 8.402 -4.498 1.268 909 HG22 ILE 117 2HG2 ILE 117 10.080 -4.291 1.771 910 HG23 ILE 117 3HG2 ILE 117 9.013 -5.369 2.675 911 HD11 ILE 117 3HD1 ILE 117 8.019 -5.455 -1.413 912 HD12 ILE 117 1HD1 ILE 117 9.245 -4.588 -2.337 913 HD13 ILE 117 2HD1 ILE 117 8.724 -3.967 -0.772 914 H LYS 118 H LYS 118 11.964 -6.573 3.693 915 HA LYS 118 HA LYS 118 10.743 -8.977 4.917 916 HB2 LYS 118 2HB LYS 118 13.223 -7.410 5.726 917 HB3 LYS 118 3HB LYS 118 12.640 -8.870 6.518 918 HG2 LYS 118 2HG LYS 118 13.576 -8.762 3.622 919 HG3 LYS 118 3HG LYS 118 14.610 -9.181 4.983 920 HD2 LYS 118 2HD LYS 118 14.020 -11.294 4.184 921 HD3 LYS 118 3HD LYS 118 12.821 -11.066 5.455 922 HE2 LYS 118 2HE LYS 118 11.143 -10.428 3.751 923 HE3 LYS 118 3HE LYS 118 12.364 -10.589 2.487 924 HZ1 LYS 118 3HZ LYS 118 11.272 -12.753 4.188 925 HZ2 LYS 118 1HZ LYS 118 12.574 -12.939 3.124 926 HZ3 LYS 118 2HZ LYS 118 11.047 -12.539 2.525 927 H ARG 119 H ARG 119 9.490 -8.840 6.729 928 HA ARG 119 HA ARG 119 8.625 -6.220 7.681 929 HB2 ARG 119 2HB ARG 119 7.001 -7.521 9.092 930 HB3 ARG 119 3HB ARG 119 6.870 -7.794 7.364 931 HG2 ARG 119 2HG ARG 119 8.111 -9.938 7.624 932 HG3 ARG 119 3HG ARG 119 8.167 -9.659 9.368 933 HD2 ARG 119 2HD ARG 119 5.749 -9.800 9.525 934 HD3 ARG 119 3HD ARG 119 5.589 -9.884 7.768 935 HE ARG 119 HE ARG 119 6.941 -12.038 8.035 936 HH11 ARG 119 1HH1 ARG 119 4.626 -10.959 10.458 937 HH12 ARG 119 2HH1 ARG 119 4.278 -12.567 11.004 938 HH21 ARG 119 1HH2 ARG 119 6.443 -14.120 8.717 939 HH22 ARG 119 2HH2 ARG 119 5.314 -14.363 10.007 940 H LYS 120 H LYS 120 11.365 -7.556 8.415 941 HA LYS 120 HA LYS 120 11.273 -6.663 11.226 942 HB2 LYS 120 2HB LYS 120 13.576 -7.972 9.698 943 HB3 LYS 120 3HB LYS 120 13.606 -7.503 11.400 944 HG2 LYS 120 2HG LYS 120 11.838 -9.617 10.141 945 HG3 LYS 120 3HG LYS 120 13.248 -9.901 11.164 946 HD2 LYS 120 2HD LYS 120 12.087 -8.900 13.093 947 HD3 LYS 120 3HD LYS 120 10.705 -8.478 12.073 948 HE2 LYS 120 2HE LYS 120 10.291 -10.888 11.660 949 HE3 LYS 120 3HE LYS 120 11.648 -11.298 12.716 950 HZ1 LYS 120 3HZ LYS 120 10.489 -10.259 14.548 951 HZ2 LYS 120 1HZ LYS 120 9.523 -11.459 13.850 952 HZ3 LYS 120 2HZ LYS 120 9.202 -9.827 13.542 953 H VAL 121 H VAL 121 12.189 -4.798 11.752 954 HA VAL 121 HA VAL 121 12.531 -2.854 9.646 955 HB VAL 121 HB VAL 121 11.024 -2.231 11.435 956 HG11 VAL 121 1HG1 VAL 121 11.715 -1.905 13.784 957 HG12 VAL 121 2HG1 VAL 121 13.320 -2.533 13.402 958 HG13 VAL 121 3HG1 VAL 121 11.910 -3.588 13.280 959 HG21 VAL 121 3HG2 VAL 121 12.292 -0.392 10.398 960 HG22 VAL 121 1HG2 VAL 121 13.554 -0.550 11.625 961 HG23 VAL 121 2HG2 VAL 121 11.931 -0.029 12.087 962 H THR 122 H THR 122 14.410 -3.786 8.893 963 HA THR 122 HA THR 122 16.939 -3.658 10.263 964 HB THR 122 HB THR 122 16.568 -5.408 8.590 965 HG1 THR 122 HG1 THR 122 18.569 -3.530 7.815 966 HG21 THR 122 3HG2 THR 122 15.029 -4.226 7.050 967 HG22 THR 122 1HG2 THR 122 16.370 -4.974 6.181 968 HG23 THR 122 2HG2 THR 122 16.368 -3.231 6.464 969 H SER 123 H SER 123 16.192 -1.272 10.759 970 HA SER 123 HA SER 123 17.925 0.531 9.360 971 HB2 SER 123 2HB SER 123 15.888 0.532 7.856 972 HB3 SER 123 3HB SER 123 14.927 1.113 9.210 973 HG SER 123 HG SER 123 16.974 2.423 7.780 974 H VAL 124 H VAL 124 18.406 2.323 10.655 975 HA VAL 124 HA VAL 124 17.775 2.104 13.439 976 HB VAL 124 HB VAL 124 19.166 4.210 13.699 977 HG11 VAL 124 1HG1 VAL 124 20.166 1.960 13.891 978 HG12 VAL 124 2HG1 VAL 124 21.308 3.092 13.169 979 HG13 VAL 124 3HG1 VAL 124 20.461 1.928 12.148 980 HG21 VAL 124 3HG2 VAL 124 20.504 5.015 11.763 981 HG22 VAL 124 1HG2 VAL 124 18.777 5.268 11.498 982 HG23 VAL 124 2HG2 VAL 124 19.605 3.936 10.693 983 H SER 125 H SER 125 15.707 2.469 13.951 984 HA SER 125 HA SER 125 14.269 4.834 12.911 985 HB2 SER 125 2HB SER 125 13.150 2.288 14.172 986 HB3 SER 125 3HB SER 125 12.211 3.590 13.430 987 HG SER 125 HG SER 125 14.132 1.961 12.105 Start of MODEL 10 1 H1 MET 1 1H MET 1 -21.209 -15.819 -35.606 2 H2 MET 1 2H MET 1 -20.217 -15.288 -34.348 3 H3 MET 1 3H MET 1 -19.847 -14.886 -35.942 4 HA MET 1 HA MET 1 -21.778 -13.546 -36.146 5 HB2 MET 1 2HB MET 1 -22.286 -14.281 -33.226 6 HB3 MET 1 3HB MET 1 -23.210 -13.098 -34.149 7 HG2 MET 1 2HG MET 1 -23.076 -16.077 -34.674 8 HG3 MET 1 3HG MET 1 -24.441 -15.184 -34.004 9 HE1 MET 1 3HE MET 1 -25.964 -13.479 -35.469 10 HE2 MET 1 1HE MET 1 -25.593 -13.063 -37.141 11 HE3 MET 1 2HE MET 1 -24.515 -12.545 -35.846 12 H GLY 2 H GLY 2 -19.875 -13.841 -33.165 13 HA2 GLY 2 2HA GLY 2 -18.099 -11.755 -33.688 14 HA3 GLY 2 3HA GLY 2 -19.433 -11.085 -32.741 15 H HIS 3 H HIS 3 -16.420 -12.179 -32.320 16 HA HIS 3 HA HIS 3 -16.949 -13.081 -29.579 17 HB2 HIS 3 2HB HIS 3 -16.820 -15.177 -30.908 18 HB3 HIS 3 3HB HIS 3 -15.248 -14.695 -31.548 19 HD1 HIS 3 HD1 HIS 3 -13.229 -15.250 -30.143 20 HD2 HIS 3 HD2 HIS 3 -16.793 -15.759 -28.061 21 HE1 HIS 3 HE1 HIS 3 -12.595 -16.321 -27.965 22 HE2 HIS 3 HE2 HIS 3 -14.749 -16.533 -26.694 23 H HIS 4 H HIS 4 -15.948 -11.470 -28.587 24 HA HIS 4 HA HIS 4 -13.560 -10.145 -29.323 25 HB2 HIS 4 2HB HIS 4 -15.286 -9.255 -27.708 26 HB3 HIS 4 3HB HIS 4 -14.799 -10.480 -26.544 27 HD1 HIS 4 HD1 HIS 4 -13.722 -7.227 -28.031 28 HD2 HIS 4 HD2 HIS 4 -12.400 -9.925 -25.166 29 HE1 HIS 4 HE1 HIS 4 -11.937 -6.024 -26.747 30 HE2 HIS 4 HE2 HIS 4 -11.004 -7.751 -25.179 31 H HIS 5 H HIS 5 -11.542 -10.872 -29.219 32 HA HIS 5 HA HIS 5 -10.732 -13.400 -28.237 33 HB2 HIS 5 2HB HIS 5 -9.072 -10.976 -29.059 34 HB3 HIS 5 3HB HIS 5 -8.356 -12.519 -28.599 35 HD1 HIS 5 HD1 HIS 5 -8.438 -14.416 -30.288 36 HD2 HIS 5 HD2 HIS 5 -10.441 -11.010 -31.580 37 HE1 HIS 5 HE1 HIS 5 -8.937 -14.807 -32.711 38 HE2 HIS 5 HE2 HIS 5 -9.990 -12.675 -33.506 39 H HIS 6 H HIS 6 -10.927 -13.838 -26.168 40 HA HIS 6 HA HIS 6 -10.246 -11.921 -24.053 41 HB2 HIS 6 2HB HIS 6 -11.495 -14.703 -23.941 42 HB3 HIS 6 3HB HIS 6 -11.204 -13.678 -22.536 43 HD1 HIS 6 HD1 HIS 6 -13.845 -14.577 -24.704 44 HD2 HIS 6 HD2 HIS 6 -12.595 -11.006 -23.003 45 HE1 HIS 6 HE1 HIS 6 -15.837 -13.059 -24.788 46 HE2 HIS 6 HE2 HIS 6 -15.114 -11.013 -23.527 47 H HIS 7 H HIS 7 -8.619 -12.256 -22.588 48 HA HIS 7 HA HIS 7 -6.751 -14.513 -23.042 49 HB2 HIS 7 2HB HIS 7 -5.769 -12.324 -23.673 50 HB3 HIS 7 3HB HIS 7 -6.138 -11.677 -22.077 51 HD1 HIS 7 HD1 HIS 7 -3.959 -14.338 -23.702 52 HD2 HIS 7 HD2 HIS 7 -4.145 -12.076 -20.221 53 HE1 HIS 7 HE1 HIS 7 -1.814 -14.790 -22.480 54 HE2 HIS 7 HE2 HIS 7 -1.870 -13.254 -20.501 55 H HIS 8 H HIS 8 -6.650 -15.892 -21.364 56 HA HIS 8 HA HIS 8 -7.636 -15.162 -18.713 57 HB2 HIS 8 2HB HIS 8 -6.392 -17.757 -19.738 58 HB3 HIS 8 3HB HIS 8 -7.023 -17.529 -18.109 59 HD1 HIS 8 HD1 HIS 8 -8.044 -19.502 -20.531 60 HD2 HIS 8 HD2 HIS 8 -9.903 -16.116 -19.002 61 HE1 HIS 8 HE1 HIS 8 -10.482 -19.760 -21.088 62 HE2 HIS 8 HE2 HIS 8 -11.535 -17.612 -20.320 63 H SER 9 H SER 9 -6.260 -13.729 -17.783 64 HA SER 9 HA SER 9 -3.381 -14.012 -17.820 65 HB2 SER 9 2HB SER 9 -3.509 -12.024 -16.207 66 HB3 SER 9 3HB SER 9 -4.205 -11.749 -17.804 67 HG SER 9 HG SER 9 -5.506 -12.131 -15.334 68 H HIS 10 H HIS 10 -3.711 -16.268 -17.040 69 HA HIS 10 HA HIS 10 -4.544 -16.771 -14.334 70 HB2 HIS 10 2HB HIS 10 -4.909 -18.403 -16.192 71 HB3 HIS 10 3HB HIS 10 -3.168 -18.607 -16.347 72 HD1 HIS 10 HD1 HIS 10 -6.040 -19.439 -14.073 73 HD2 HIS 10 HD2 HIS 10 -2.003 -20.337 -14.449 74 HE1 HIS 10 HE1 HIS 10 -5.619 -21.319 -12.480 75 HE2 HIS 10 HE2 HIS 10 -3.241 -21.989 -12.902 76 H MET 11 H MET 11 -3.296 -17.121 -12.603 77 HA MET 11 HA MET 11 -0.373 -17.176 -12.699 78 HB2 MET 11 2HB MET 11 -0.207 -15.329 -11.025 79 HB3 MET 11 3HB MET 11 -0.882 -14.767 -12.546 80 HG2 MET 11 2HG MET 11 -3.094 -14.623 -11.618 81 HG3 MET 11 3HG MET 11 -2.607 -15.484 -10.159 82 HE1 MET 11 3HE MET 11 -0.400 -12.834 -8.315 83 HE2 MET 11 1HE MET 11 0.174 -14.106 -9.387 84 HE3 MET 11 2HE MET 11 -1.121 -14.443 -8.235 85 H ALA 12 H ALA 12 0.469 -17.518 -10.454 86 HA ALA 12 HA ALA 12 -1.387 -18.558 -8.444 87 HB1 ALA 12 3HB ALA 12 0.957 -20.211 -9.497 88 HB2 ALA 12 1HB ALA 12 -0.758 -20.586 -9.715 89 HB3 ALA 12 2HB ALA 12 -0.046 -20.620 -8.102 90 H GLY 13 H GLY 13 -0.046 -19.026 -6.376 91 HA2 GLY 13 2HA GLY 13 2.179 -17.062 -6.110 92 HA3 GLY 13 3HA GLY 13 0.962 -17.326 -4.872 93 HA PRO 14 HA PRO 14 3.981 -21.030 -4.466 94 HB2 PRO 14 2HB PRO 14 5.776 -21.681 -6.338 95 HB3 PRO 14 3HB PRO 14 4.054 -21.999 -6.645 96 HG2 PRO 14 2HG PRO 14 5.766 -19.762 -7.671 97 HG3 PRO 14 3HG PRO 14 4.549 -20.731 -8.533 98 HD2 PRO 14 2HD PRO 14 4.086 -18.201 -7.403 99 HD3 PRO 14 3HD PRO 14 2.824 -19.369 -7.850 100 H SER 15 H SER 15 4.613 -17.919 -4.775 101 HA SER 15 HA SER 15 7.467 -17.766 -4.304 102 HB2 SER 15 2HB SER 15 6.175 -16.116 -5.725 103 HB3 SER 15 3HB SER 15 5.327 -15.590 -4.270 104 HG SER 15 HG SER 15 8.150 -15.569 -4.516 105 H ASN 16 H ASN 16 8.239 -16.543 -2.386 106 HA ASN 16 HA ASN 16 6.999 -17.531 0.073 107 HB2 ASN 16 2HB ASN 16 9.616 -16.007 -0.357 108 HB3 ASN 16 3HB ASN 16 9.096 -16.723 1.162 109 HD21 ASN 16 1HD2 ASN 16 10.211 -17.413 -2.094 110 HD22 ASN 16 2HD2 ASN 16 10.689 -19.043 -1.781 111 H VAL 17 H VAL 17 6.251 -14.967 -1.722 112 HA VAL 17 HA VAL 17 6.396 -12.643 -0.191 113 HB VAL 17 HB VAL 17 4.145 -13.418 -2.124 114 HG11 VAL 17 1HG1 VAL 17 5.058 -10.664 -1.197 115 HG12 VAL 17 2HG1 VAL 17 3.544 -11.460 -0.763 116 HG13 VAL 17 3HG1 VAL 17 3.834 -10.973 -2.433 117 HG21 VAL 17 3HG2 VAL 17 5.443 -12.261 -3.865 118 HG22 VAL 17 1HG2 VAL 17 6.359 -13.605 -3.184 119 HG23 VAL 17 2HG2 VAL 17 6.743 -11.952 -2.710 120 HA PRO 18 HA PRO 18 3.582 -13.901 3.197 121 HB2 PRO 18 2HB PRO 18 3.556 -11.478 4.535 122 HB3 PRO 18 3HB PRO 18 4.899 -12.630 4.657 123 HG2 PRO 18 2HG PRO 18 4.663 -10.198 2.916 124 HG3 PRO 18 3HG PRO 18 6.036 -10.740 3.907 125 HD2 PRO 18 2HD PRO 18 5.996 -11.185 1.253 126 HD3 PRO 18 3HD PRO 18 6.679 -12.386 2.373 127 H ALA 19 H ALA 19 1.416 -13.423 3.850 128 HA ALA 19 HA ALA 19 -0.371 -12.942 1.835 129 HB1 ALA 19 3HB ALA 19 -2.140 -12.897 3.536 130 HB2 ALA 19 1HB ALA 19 -0.932 -12.621 4.802 131 HB3 ALA 19 2HB ALA 19 -0.948 -14.141 3.911 132 H PHE 20 H PHE 20 0.606 -10.596 4.381 133 HA PHE 20 HA PHE 20 -0.968 -8.456 3.736 134 HB2 PHE 20 2HB PHE 20 0.608 -8.580 5.694 135 HB3 PHE 20 3HB PHE 20 1.955 -8.241 4.615 136 HD1 PHE 20 HD1 PHE 20 2.183 -5.971 3.583 137 HD2 PHE 20 HD2 PHE 20 -0.938 -6.810 6.388 138 HE1 PHE 20 HE1 PHE 20 1.775 -3.565 3.853 139 HE2 PHE 20 HE2 PHE 20 -1.332 -4.392 6.655 140 HZ PHE 20 HZ PHE 20 0.025 -2.773 5.387 141 H LEU 21 H LEU 21 2.138 -9.335 2.147 142 HA LEU 21 HA LEU 21 2.195 -6.876 0.605 143 HB2 LEU 21 2HB LEU 21 4.024 -9.297 0.630 144 HB3 LEU 21 3HB LEU 21 4.248 -7.952 -0.478 145 HG LEU 21 HG LEU 21 4.413 -7.791 2.561 146 HD11 LEU 21 1HD1 LEU 21 6.581 -7.581 0.442 147 HD12 LEU 21 2HD1 LEU 21 6.327 -8.939 1.542 148 HD13 LEU 21 3HD1 LEU 21 6.806 -7.369 2.182 149 HD21 LEU 21 3HD2 LEU 21 3.519 -5.680 1.652 150 HD22 LEU 21 1HD2 LEU 21 4.858 -5.588 0.502 151 HD23 LEU 21 2HD2 LEU 21 5.165 -5.458 2.236 152 H THR 22 H THR 22 1.383 -10.295 -0.052 153 HA THR 22 HA THR 22 1.120 -9.920 -2.870 154 HB THR 22 HB THR 22 1.449 -12.171 -1.805 155 HG1 THR 22 HG1 THR 22 0.777 -12.762 -3.702 156 HG21 THR 22 3HG2 THR 22 -0.162 -12.029 0.045 157 HG22 THR 22 1HG2 THR 22 -0.474 -13.442 -0.970 158 HG23 THR 22 2HG2 THR 22 -1.496 -12.011 -1.110 159 H LYS 23 H LYS 23 -1.128 -9.607 -0.131 160 HA LYS 23 HA LYS 23 -3.469 -9.043 -1.681 161 HB2 LYS 23 2HB LYS 23 -2.788 -8.330 1.211 162 HB3 LYS 23 3HB LYS 23 -4.359 -8.054 0.478 163 HG2 LYS 23 2HG LYS 23 -3.157 -10.827 0.652 164 HG3 LYS 23 3HG LYS 23 -4.064 -10.125 1.979 165 HD2 LYS 23 2HD LYS 23 -5.651 -11.452 0.845 166 HD3 LYS 23 3HD LYS 23 -5.997 -9.819 0.283 167 HE2 LYS 23 2HE LYS 23 -6.077 -11.465 -1.561 168 HE3 LYS 23 3HE LYS 23 -4.801 -10.274 -1.815 169 HZ1 LYS 23 3HZ LYS 23 -4.074 -12.527 -2.324 170 HZ2 LYS 23 1HZ LYS 23 -4.393 -13.013 -0.736 171 HZ3 LYS 23 2HZ LYS 23 -3.181 -11.879 -1.045 172 H LEU 24 H LEU 24 -1.020 -7.014 -0.065 173 HA LEU 24 HA LEU 24 -1.916 -4.489 -0.637 174 HB2 LEU 24 2HB LEU 24 0.004 -4.881 0.823 175 HB3 LEU 24 3HB LEU 24 0.953 -5.494 -0.523 176 HG LEU 24 HG LEU 24 0.887 -3.192 -1.561 177 HD11 LEU 24 1HD1 LEU 24 0.209 -1.259 -0.203 178 HD12 LEU 24 2HD1 LEU 24 -0.403 -2.339 1.051 179 HD13 LEU 24 3HD1 LEU 24 -1.155 -2.321 -0.547 180 HD21 LEU 24 3HD2 LEU 24 2.535 -2.175 -0.054 181 HD22 LEU 24 1HD2 LEU 24 2.834 -3.901 -0.255 182 HD23 LEU 24 2HD2 LEU 24 2.084 -3.303 1.226 183 H TRP 25 H TRP 25 0.402 -6.381 -2.648 184 HA TRP 25 HA TRP 25 0.699 -4.514 -4.700 185 HB2 TRP 25 2HB TRP 25 2.088 -6.655 -4.260 186 HB3 TRP 25 3HB TRP 25 0.863 -7.527 -5.175 187 HD1 TRP 25 HD1 TRP 25 3.881 -5.273 -5.609 188 HE1 TRP 25 HE1 TRP 25 4.410 -4.979 -8.099 189 HE3 TRP 25 HE3 TRP 25 -0.348 -7.389 -7.625 190 HZ2 TRP 25 HZ2 TRP 25 3.227 -5.561 -10.574 191 HZ3 TRP 25 HZ3 TRP 25 -0.558 -7.471 -10.077 192 HH2 TRP 25 HH2 TRP 25 1.195 -6.571 -11.522 193 H THR 26 H THR 26 -1.586 -7.245 -4.455 194 HA THR 26 HA THR 26 -2.921 -6.926 -6.937 195 HB THR 26 HB THR 26 -3.998 -8.153 -4.351 196 HG1 THR 26 HG1 THR 26 -1.932 -8.969 -5.247 197 HG21 THR 26 3HG2 THR 26 -5.413 -9.546 -5.830 198 HG22 THR 26 1HG2 THR 26 -4.795 -8.689 -7.244 199 HG23 THR 26 2HG2 THR 26 -5.782 -7.836 -6.055 200 H LEU 27 H LEU 27 -3.343 -5.383 -3.803 201 HA LEU 27 HA LEU 27 -5.903 -4.192 -4.257 202 HB2 LEU 27 2HB LEU 27 -5.129 -4.683 -2.006 203 HB3 LEU 27 3HB LEU 27 -3.680 -3.716 -2.229 204 HG LEU 27 HG LEU 27 -5.027 -1.656 -2.255 205 HD11 LEU 27 1HD1 LEU 27 -7.374 -1.624 -1.940 206 HD12 LEU 27 2HD1 LEU 27 -7.455 -3.360 -1.695 207 HD13 LEU 27 3HD1 LEU 27 -7.060 -2.706 -3.284 208 HD21 LEU 27 3HD2 LEU 27 -5.732 -1.644 0.101 209 HD22 LEU 27 1HD2 LEU 27 -4.189 -2.480 -0.087 210 HD23 LEU 27 2HD2 LEU 27 -5.673 -3.408 0.147 211 H VAL 28 H VAL 28 -2.567 -2.989 -4.310 212 HA VAL 28 HA VAL 28 -2.991 -0.375 -5.204 213 HB VAL 28 HB VAL 28 -0.597 -2.229 -5.693 214 HG11 VAL 28 1HG1 VAL 28 0.732 -0.175 -5.949 215 HG12 VAL 28 2HG1 VAL 28 -0.733 0.800 -5.799 216 HG13 VAL 28 3HG1 VAL 28 -0.530 -0.282 -7.178 217 HG21 VAL 28 3HG2 VAL 28 -1.009 -0.203 -3.458 218 HG22 VAL 28 1HG2 VAL 28 0.418 -1.213 -3.703 219 HG23 VAL 28 2HG2 VAL 28 -1.125 -1.952 -3.281 220 H SER 29 H SER 29 -2.863 -3.448 -6.875 221 HA SER 29 HA SER 29 -2.973 -2.298 -9.569 222 HB2 SER 29 2HB SER 29 -1.429 -4.178 -9.135 223 HB3 SER 29 3HB SER 29 -2.768 -5.185 -8.595 224 HG SER 29 HG SER 29 -3.092 -4.113 -11.119 225 H ASP 30 H ASP 30 -5.276 -2.748 -7.271 226 HA ASP 30 HA ASP 30 -7.319 -4.082 -8.851 227 HB2 ASP 30 2HB ASP 30 -7.195 -4.404 -6.390 228 HB3 ASP 30 3HB ASP 30 -7.511 -2.690 -6.147 229 HA PRO 31 HA PRO 31 -8.527 -0.119 -10.721 230 HB2 PRO 31 2HB PRO 31 -10.517 -1.043 -12.347 231 HB3 PRO 31 3HB PRO 31 -8.801 -1.345 -12.691 232 HG2 PRO 31 2HG PRO 31 -10.794 -3.169 -11.371 233 HG3 PRO 31 3HG PRO 31 -9.633 -3.532 -12.670 234 HD2 PRO 31 2HD PRO 31 -9.121 -4.152 -10.078 235 HD3 PRO 31 3HD PRO 31 -7.827 -3.672 -11.203 236 H ASP 32 H ASP 32 -10.521 -2.142 -8.713 237 HA ASP 32 HA ASP 32 -12.832 -0.400 -8.574 238 HB2 ASP 32 2HB ASP 32 -13.011 -2.837 -8.156 239 HB3 ASP 32 3HB ASP 32 -11.958 -2.696 -6.756 240 H THR 33 H THR 33 -9.819 -0.749 -6.839 241 HA THR 33 HA THR 33 -10.639 1.261 -4.812 242 HB THR 33 HB THR 33 -8.840 0.294 -3.359 243 HG1 THR 33 HG1 THR 33 -7.488 -0.700 -4.795 244 HG21 THR 33 3HG2 THR 33 -11.171 -0.505 -3.047 245 HG22 THR 33 1HG2 THR 33 -10.006 -1.797 -2.738 246 HG23 THR 33 2HG2 THR 33 -10.900 -1.761 -4.258 247 H ASP 34 H ASP 34 -9.220 1.190 -7.631 248 HA ASP 34 HA ASP 34 -6.595 2.097 -7.513 249 HB2 ASP 34 2HB ASP 34 -7.671 1.302 -9.560 250 HB3 ASP 34 3HB ASP 34 -8.800 2.650 -9.555 251 H ALA 35 H ALA 35 -9.595 3.882 -7.209 252 HA ALA 35 HA ALA 35 -8.614 6.523 -7.379 253 HB1 ALA 35 3HB ALA 35 -10.718 7.198 -6.309 254 HB2 ALA 35 1HB ALA 35 -11.030 5.521 -5.839 255 HB3 ALA 35 2HB ALA 35 -11.006 5.971 -7.544 256 H LEU 36 H LEU 36 -8.617 4.210 -4.704 257 HA LEU 36 HA LEU 36 -7.821 6.308 -2.775 258 HB2 LEU 36 2HB LEU 36 -9.001 3.541 -2.283 259 HB3 LEU 36 3HB LEU 36 -8.503 4.661 -1.020 260 HG LEU 36 HG LEU 36 -10.778 5.108 -3.002 261 HD11 LEU 36 1HD1 LEU 36 -11.334 3.471 -1.249 262 HD12 LEU 36 2HD1 LEU 36 -12.254 4.961 -1.047 263 HD13 LEU 36 3HD1 LEU 36 -10.869 4.636 -0.003 264 HD21 LEU 36 3HD2 LEU 36 -11.263 7.167 -1.705 265 HD22 LEU 36 1HD2 LEU 36 -9.691 7.237 -2.504 266 HD23 LEU 36 2HD2 LEU 36 -9.786 6.915 -0.773 267 H ILE 37 H ILE 37 -6.643 3.616 -4.562 268 HA ILE 37 HA ILE 37 -4.004 4.056 -3.524 269 HB ILE 37 HB ILE 37 -4.855 2.497 -1.827 270 HG12 ILE 37 2HG1 ILE 37 -2.812 1.060 -3.585 271 HG13 ILE 37 3HG1 ILE 37 -2.424 2.401 -2.514 272 HG21 ILE 37 1HG2 ILE 37 -6.567 1.306 -3.150 273 HG22 ILE 37 2HG2 ILE 37 -5.505 0.177 -2.311 274 HG23 ILE 37 3HG2 ILE 37 -5.301 0.457 -4.042 275 HD11 ILE 37 3HD1 ILE 37 -1.814 0.304 -1.496 276 HD12 ILE 37 1HD1 ILE 37 -3.455 -0.313 -1.675 277 HD13 ILE 37 2HD1 ILE 37 -3.131 1.035 -0.581 278 H CYS 38 H CYS 38 -2.741 4.077 -5.281 279 HA CYS 38 HA CYS 38 -2.978 2.069 -7.413 280 HB2 CYS 38 2HB CYS 38 -2.986 3.898 -9.171 281 HB3 CYS 38 3HB CYS 38 -4.479 3.820 -8.236 282 HG CYS 38 HG CYS 38 -4.126 6.086 -6.829 283 H TRP 39 H TRP 39 -1.033 1.918 -8.685 284 HA TRP 39 HA TRP 39 1.335 3.039 -7.354 285 HB2 TRP 39 2HB TRP 39 2.684 1.465 -8.760 286 HB3 TRP 39 3HB TRP 39 1.540 0.656 -7.709 287 HD1 TRP 39 HD1 TRP 39 -0.893 -0.059 -9.118 288 HE1 TRP 39 HE1 TRP 39 -1.010 -1.244 -11.390 289 HE3 TRP 39 HE3 TRP 39 3.753 1.077 -10.873 290 HZ2 TRP 39 HZ2 TRP 39 0.644 -1.676 -13.627 291 HZ3 TRP 39 HZ3 TRP 39 4.427 0.237 -13.083 292 HH2 TRP 39 HH2 TRP 39 2.900 -1.115 -14.436 293 H SER 40 H SER 40 3.053 3.912 -8.605 294 HA SER 40 HA SER 40 2.024 5.999 -10.359 295 HB2 SER 40 2HB SER 40 4.819 5.553 -9.186 296 HB3 SER 40 3HB SER 40 4.271 7.014 -10.014 297 HG SER 40 HG SER 40 2.571 6.332 -8.022 298 HA PRO 41 HA PRO 41 3.548 4.206 -14.288 299 HB2 PRO 41 2HB PRO 41 4.803 6.915 -14.798 300 HB3 PRO 41 3HB PRO 41 3.729 5.948 -15.837 301 HG2 PRO 41 2HG PRO 41 2.760 8.057 -14.560 302 HG3 PRO 41 3HG PRO 41 1.802 6.560 -14.666 303 HD2 PRO 41 2HD PRO 41 3.374 7.631 -12.325 304 HD3 PRO 41 3HD PRO 41 1.782 6.835 -12.352 305 H SER 42 H SER 42 5.700 5.686 -12.013 306 HA SER 42 HA SER 42 8.208 4.886 -13.093 307 HB2 SER 42 2HB SER 42 7.413 5.478 -10.212 308 HB3 SER 42 3HB SER 42 9.059 5.474 -10.855 309 HG SER 42 HG SER 42 7.673 7.551 -10.696 310 H GLY 43 H GLY 43 5.875 3.383 -10.901 311 HA2 GLY 43 2HA GLY 43 5.445 1.160 -10.548 312 HA3 GLY 43 3HA GLY 43 6.855 0.739 -11.501 313 H ASN 44 H ASN 44 7.815 2.940 -9.154 314 HA ASN 44 HA ASN 44 8.960 0.776 -7.495 315 HB2 ASN 44 2HB ASN 44 9.888 3.677 -7.552 316 HB3 ASN 44 3HB ASN 44 10.768 2.273 -6.970 317 HD21 ASN 44 1HD2 ASN 44 10.105 0.670 -9.423 318 HD22 ASN 44 2HD2 ASN 44 11.103 1.327 -10.667 319 H SER 45 H SER 45 6.347 2.797 -7.356 320 HA SER 45 HA SER 45 6.232 3.006 -4.465 321 HB2 SER 45 2HB SER 45 5.921 5.505 -4.526 322 HB3 SER 45 3HB SER 45 7.548 5.013 -4.994 323 HG SER 45 HG SER 45 6.722 6.579 -6.413 324 H PHE 46 H PHE 46 4.104 3.848 -3.742 325 HA PHE 46 HA PHE 46 2.032 4.153 -5.800 326 HB2 PHE 46 2HB PHE 46 0.472 2.623 -4.678 327 HB3 PHE 46 3HB PHE 46 1.911 1.773 -5.206 328 HD1 PHE 46 HD2 PHE 46 3.589 0.976 -3.514 329 HD2 PHE 46 HD1 PHE 46 -0.141 2.703 -2.322 330 HE1 PHE 46 HE2 PHE 46 3.835 -0.016 -1.278 331 HE2 PHE 46 HE1 PHE 46 0.117 1.702 -0.089 332 HZ PHE 46 HZ PHE 46 2.102 0.342 0.434 333 H HIS 47 H HIS 47 0.137 5.254 -5.064 334 HA HIS 47 HA HIS 47 0.574 6.972 -2.688 335 HB2 HIS 47 2HB HIS 47 -0.897 7.521 -5.309 336 HB3 HIS 47 3HB HIS 47 -1.031 8.568 -3.897 337 HD1 HIS 47 HD1 HIS 47 0.328 10.583 -4.296 338 HD2 HIS 47 HD2 HIS 47 2.204 7.212 -5.825 339 HE1 HIS 47 HE1 HIS 47 2.492 11.407 -5.256 340 HE2 HIS 47 HE2 HIS 47 3.673 9.322 -6.013 341 H VAL 48 H VAL 48 -1.192 7.362 -1.331 342 HA VAL 48 HA VAL 48 -3.599 5.654 -1.625 343 HB VAL 48 HB VAL 48 -2.169 6.345 1.004 344 HG11 VAL 48 1HG1 VAL 48 -4.659 4.648 0.534 345 HG12 VAL 48 2HG1 VAL 48 -4.606 6.233 1.309 346 HG13 VAL 48 3HG1 VAL 48 -3.832 4.851 2.082 347 HG21 VAL 48 3HG2 VAL 48 -1.664 3.937 1.185 348 HG22 VAL 48 1HG2 VAL 48 -0.936 4.629 -0.267 349 HG23 VAL 48 2HG2 VAL 48 -2.398 3.648 -0.395 350 H PHE 49 H PHE 49 -5.471 6.742 -1.446 351 HA PHE 49 HA PHE 49 -5.464 9.598 -0.656 352 HB2 PHE 49 2HB PHE 49 -7.198 8.197 -2.733 353 HB3 PHE 49 3HB PHE 49 -7.423 9.866 -2.209 354 HD1 PHE 49 HD1 PHE 49 -5.197 7.565 -4.096 355 HD2 PHE 49 HD2 PHE 49 -5.967 11.632 -3.003 356 HE1 PHE 49 HE1 PHE 49 -3.613 8.336 -5.819 357 HE2 PHE 49 HE2 PHE 49 -4.391 12.391 -4.731 358 HZ PHE 49 HZ PHE 49 -3.215 10.745 -6.141 359 H ASP 50 H ASP 50 -7.087 10.349 0.656 360 HA ASP 50 HA ASP 50 -8.687 10.382 2.258 361 HB2 ASP 50 2HB ASP 50 -10.044 8.482 0.302 362 HB3 ASP 50 3HB ASP 50 -10.863 9.240 1.657 363 H GLN 51 H GLN 51 -7.031 9.261 3.584 364 HA GLN 51 HA GLN 51 -6.765 6.546 3.961 365 HB2 GLN 51 2HB GLN 51 -6.260 8.823 5.905 366 HB3 GLN 51 3HB GLN 51 -5.764 7.160 6.222 367 HG2 GLN 51 2HG GLN 51 -4.337 7.194 4.203 368 HG3 GLN 51 3HG GLN 51 -4.850 8.850 3.874 369 HE21 GLN 51 1HE2 GLN 51 -2.664 9.474 3.942 370 HE22 GLN 51 2HE2 GLN 51 -1.830 9.689 5.436 371 H GLY 52 H GLY 52 -9.208 8.597 5.462 372 HA2 GLY 52 2HA GLY 52 -10.097 6.710 7.448 373 HA3 GLY 52 3HA GLY 52 -10.973 8.128 6.881 374 H GLN 53 H GLN 53 -11.167 7.582 4.172 375 HA GLN 53 HA GLN 53 -13.452 5.833 4.049 376 HB2 GLN 53 2HB GLN 53 -13.445 7.866 2.788 377 HB3 GLN 53 3HB GLN 53 -11.889 7.507 2.052 378 HG2 GLN 53 2HG GLN 53 -13.554 7.266 0.365 379 HG3 GLN 53 3HG GLN 53 -13.001 5.648 0.779 380 HE21 GLN 53 1HE2 GLN 53 -14.454 4.216 1.799 381 HE22 GLN 53 2HE2 GLN 53 -16.150 4.545 1.873 382 H PHE 54 H PHE 54 -10.104 5.635 3.159 383 HA PHE 54 HA PHE 54 -10.131 3.275 1.583 384 HB2 PHE 54 2HB PHE 54 -8.312 4.853 1.330 385 HB3 PHE 54 3HB PHE 54 -7.978 4.870 3.052 386 HD1 PHE 54 HD2 PHE 54 -7.553 2.939 -0.090 387 HD2 PHE 54 HD1 PHE 54 -6.528 3.193 4.057 388 HE1 PHE 54 HE2 PHE 54 -5.749 1.305 -0.417 389 HE2 PHE 54 HE1 PHE 54 -4.723 1.558 3.707 390 HZ PHE 54 HZ PHE 54 -4.331 0.615 1.467 391 H ALA 55 H ALA 55 -9.251 3.982 4.953 392 HA ALA 55 HA ALA 55 -8.642 1.364 5.758 393 HB1 ALA 55 3HB ALA 55 -9.642 3.696 7.420 394 HB2 ALA 55 1HB ALA 55 -7.965 3.387 6.973 395 HB3 ALA 55 2HB ALA 55 -8.809 2.268 8.039 396 H LYS 56 H LYS 56 -11.642 3.075 5.526 397 HA LYS 56 HA LYS 56 -13.328 1.611 7.212 398 HB2 LYS 56 2HB LYS 56 -13.911 3.800 6.488 399 HB3 LYS 56 3HB LYS 56 -13.688 3.398 4.791 400 HG2 LYS 56 2HG LYS 56 -15.759 1.828 5.151 401 HG3 LYS 56 3HG LYS 56 -16.026 2.823 6.585 402 HD2 LYS 56 2HD LYS 56 -16.106 4.849 5.211 403 HD3 LYS 56 3HD LYS 56 -15.749 3.900 3.758 404 HE2 LYS 56 2HE LYS 56 -18.238 3.640 5.489 405 HE3 LYS 56 3HE LYS 56 -18.143 4.470 3.936 406 HZ1 LYS 56 3HZ LYS 56 -19.063 2.257 3.714 407 HZ2 LYS 56 1HZ LYS 56 -17.669 1.576 4.384 408 HZ3 LYS 56 2HZ LYS 56 -17.590 2.366 2.890 409 H GLU 57 H GLU 57 -12.919 1.311 3.653 410 HA GLU 57 HA GLU 57 -14.440 -1.249 3.781 411 HB2 GLU 57 2HB GLU 57 -15.301 -0.603 1.475 412 HB3 GLU 57 3HB GLU 57 -15.889 0.356 2.826 413 HG2 GLU 57 2HG GLU 57 -14.345 2.148 2.263 414 HG3 GLU 57 3HG GLU 57 -13.674 1.195 0.942 415 H VAL 58 H VAL 58 -11.547 0.198 2.602 416 HA VAL 58 HA VAL 58 -11.074 -1.773 0.483 417 HB VAL 58 HB VAL 58 -9.349 0.517 1.551 418 HG11 VAL 58 1HG1 VAL 58 -8.962 -1.202 -0.920 419 HG12 VAL 58 2HG1 VAL 58 -7.922 -1.138 0.507 420 HG13 VAL 58 3HG1 VAL 58 -8.055 0.269 -0.549 421 HG21 VAL 58 3HG2 VAL 58 -11.105 0.393 -0.937 422 HG22 VAL 58 1HG2 VAL 58 -10.058 1.741 -0.478 423 HG23 VAL 58 2HG2 VAL 58 -11.444 1.316 0.530 424 H LEU 59 H LEU 59 -9.623 -0.846 3.627 425 HA LEU 59 HA LEU 59 -7.669 -2.875 3.717 426 HB2 LEU 59 2HB LEU 59 -8.936 -1.246 5.936 427 HB3 LEU 59 3HB LEU 59 -7.718 -2.461 6.270 428 HG LEU 59 HG LEU 59 -7.362 0.108 4.678 429 HD11 LEU 59 1HD1 LEU 59 -6.043 -0.912 7.214 430 HD12 LEU 59 2HD1 LEU 59 -7.273 0.351 7.108 431 HD13 LEU 59 3HD1 LEU 59 -5.684 0.613 6.396 432 HD21 LEU 59 3HD2 LEU 59 -5.364 -2.167 4.978 433 HD22 LEU 59 1HD2 LEU 59 -5.013 -0.572 4.311 434 HD23 LEU 59 2HD2 LEU 59 -6.139 -1.639 3.480 435 HA PRO 60 HA PRO 60 -10.801 -5.730 6.192 436 HB2 PRO 60 2HB PRO 60 -13.502 -5.242 5.890 437 HB3 PRO 60 3HB PRO 60 -12.540 -4.553 7.215 438 HG2 PRO 60 2HG PRO 60 -13.318 -3.273 4.608 439 HG3 PRO 60 3HG PRO 60 -13.427 -2.601 6.252 440 HD2 PRO 60 2HD PRO 60 -11.397 -1.943 4.636 441 HD3 PRO 60 3HD PRO 60 -11.125 -2.193 6.377 442 H LYS 61 H LYS 61 -11.225 -4.459 3.009 443 HA LYS 61 HA LYS 61 -12.564 -6.683 1.806 444 HB2 LYS 61 2HB LYS 61 -12.535 -4.386 0.833 445 HB3 LYS 61 3HB LYS 61 -10.812 -4.542 0.526 446 HG2 LYS 61 2HG LYS 61 -11.269 -6.398 -1.054 447 HG3 LYS 61 3HG LYS 61 -13.003 -6.213 -0.762 448 HD2 LYS 61 2HD LYS 61 -12.893 -3.891 -1.667 449 HD3 LYS 61 3HD LYS 61 -11.161 -4.093 -1.949 450 HE2 LYS 61 2HE LYS 61 -11.678 -5.968 -3.528 451 HE3 LYS 61 3HE LYS 61 -13.398 -5.644 -3.295 452 HZ1 LYS 61 3HZ LYS 61 -12.598 -4.597 -5.292 453 HZ2 LYS 61 1HZ LYS 61 -11.404 -3.756 -4.440 454 HZ3 LYS 61 2HZ LYS 61 -13.039 -3.407 -4.181 455 H TYR 62 H TYR 62 -9.124 -5.608 1.756 456 HA TYR 62 HA TYR 62 -8.327 -8.272 0.719 457 HB2 TYR 62 2HB TYR 62 -6.847 -5.632 0.949 458 HB3 TYR 62 3HB TYR 62 -5.976 -7.137 0.632 459 HD1 TYR 62 HD2 TYR 62 -8.806 -5.043 -0.666 460 HD2 TYR 62 HD1 TYR 62 -5.859 -8.005 -1.587 461 HE1 TYR 62 HE2 TYR 62 -9.431 -4.928 -3.033 462 HE2 TYR 62 HE1 TYR 62 -6.502 -7.905 -3.947 463 HH TYR 62 HH TYR 62 -8.589 -5.486 -5.197 464 H PHE 63 H PHE 63 -7.730 -6.259 3.532 465 HA PHE 63 HA PHE 63 -6.229 -8.420 4.868 466 HB2 PHE 63 2HB PHE 63 -6.577 -5.512 5.769 467 HB3 PHE 63 3HB PHE 63 -5.422 -6.696 6.387 468 HD1 PHE 63 HD2 PHE 63 -3.529 -7.499 4.855 469 HD2 PHE 63 HD1 PHE 63 -6.043 -4.193 3.826 470 HE1 PHE 63 HE2 PHE 63 -1.898 -6.769 3.158 471 HE2 PHE 63 HE1 PHE 63 -4.407 -3.487 2.126 472 HZ PHE 63 HZ PHE 63 -2.333 -4.770 1.793 473 H LYS 64 H LYS 64 -6.785 -8.051 7.529 474 HA LYS 64 HA LYS 64 -9.684 -8.677 7.680 475 HB2 LYS 64 2HB LYS 64 -8.908 -10.232 9.657 476 HB3 LYS 64 3HB LYS 64 -8.680 -10.770 8.003 477 HG2 LYS 64 2HG LYS 64 -6.707 -11.359 9.211 478 HG3 LYS 64 3HG LYS 64 -6.297 -10.028 8.130 479 HD2 LYS 64 2HD LYS 64 -6.415 -8.449 10.034 480 HD3 LYS 64 3HD LYS 64 -6.818 -9.783 11.119 481 HE2 LYS 64 2HE LYS 64 -4.624 -10.842 10.577 482 HE3 LYS 64 3HE LYS 64 -4.236 -9.459 9.551 483 HZ1 LYS 64 3HZ LYS 64 -4.371 -8.030 11.503 484 HZ2 LYS 64 1HZ LYS 64 -3.216 -9.243 11.709 485 HZ3 LYS 64 2HZ LYS 64 -4.711 -9.364 12.484 486 H HIS 65 H HIS 65 -8.890 -6.075 7.958 487 HA HIS 65 HA HIS 65 -9.755 -5.330 10.582 488 HB2 HIS 65 2HB HIS 65 -7.740 -3.994 11.223 489 HB3 HIS 65 3HB HIS 65 -7.366 -5.713 11.150 490 HD1 HIS 65 HD1 HIS 65 -6.551 -2.443 9.487 491 HD2 HIS 65 HD2 HIS 65 -5.583 -6.466 9.059 492 HE1 HIS 65 HE1 HIS 65 -4.572 -2.504 7.945 493 HE2 HIS 65 HE2 HIS 65 -3.867 -4.910 7.916 494 H ASN 66 H ASN 66 -9.952 -2.989 10.777 495 HA ASN 66 HA ASN 66 -10.200 -1.574 8.179 496 HB2 ASN 66 2HB ASN 66 -11.603 -0.709 10.755 497 HB3 ASN 66 3HB ASN 66 -11.871 -0.124 9.120 498 HD21 ASN 66 1HD2 ASN 66 -13.284 -1.204 7.798 499 HD22 ASN 66 2HD2 ASN 66 -14.222 -2.560 8.313 500 H ASN 67 H ASN 67 -8.715 -1.640 11.323 501 HA ASN 67 HA ASN 67 -7.931 1.028 11.679 502 HB2 ASN 67 2HB ASN 67 -7.892 -0.664 13.482 503 HB3 ASN 67 3HB ASN 67 -6.614 -1.542 12.654 504 HD21 ASN 67 1HD2 ASN 67 -7.356 1.510 14.263 505 HD22 ASN 67 2HD2 ASN 67 -5.733 1.850 14.751 506 H MET 68 H MET 68 -6.631 2.244 10.466 507 HA MET 68 HA MET 68 -4.854 1.044 8.484 508 HB2 MET 68 2HB MET 68 -6.324 2.997 7.876 509 HB3 MET 68 3HB MET 68 -5.361 4.021 8.935 510 HG2 MET 68 2HG MET 68 -3.398 3.619 7.559 511 HG3 MET 68 3HG MET 68 -4.301 2.484 6.551 512 HE1 MET 68 3HE MET 68 -3.796 5.326 4.062 513 HE2 MET 68 1HE MET 68 -3.675 3.600 4.396 514 HE3 MET 68 2HE MET 68 -2.649 4.742 5.267 515 H ALA 69 H ALA 69 -4.563 2.511 11.617 516 HA ALA 69 HA ALA 69 -1.856 3.214 11.661 517 HB1 ALA 69 3HB ALA 69 -3.497 1.956 13.883 518 HB2 ALA 69 1HB ALA 69 -3.386 3.677 13.517 519 HB3 ALA 69 2HB ALA 69 -1.964 2.809 14.098 520 H SER 70 H SER 70 -3.413 0.060 11.981 521 HA SER 70 HA SER 70 -1.177 -1.590 12.400 522 HB2 SER 70 2HB SER 70 -3.505 -2.354 12.680 523 HB3 SER 70 3HB SER 70 -3.794 -2.210 10.948 524 HG SER 70 HG SER 70 -2.204 -4.052 12.368 525 H PHE 71 H PHE 71 -2.809 -0.556 9.387 526 HA PHE 71 HA PHE 71 -1.418 -2.153 7.544 527 HB2 PHE 71 2HB PHE 71 -3.537 -1.139 6.950 528 HB3 PHE 71 3HB PHE 71 -2.933 0.479 7.268 529 HD1 PHE 71 HD1 PHE 71 -2.385 -2.462 4.987 530 HD2 PHE 71 HD2 PHE 71 -2.158 1.784 5.456 531 HE1 PHE 71 HE1 PHE 71 -1.834 -2.221 2.602 532 HE2 PHE 71 HE2 PHE 71 -1.606 2.015 3.068 533 HZ PHE 71 HZ PHE 71 -1.442 0.011 1.642 534 H VAL 72 H VAL 72 -0.990 1.308 8.301 535 HA VAL 72 HA VAL 72 1.324 1.737 6.758 536 HB VAL 72 HB VAL 72 0.375 3.324 9.194 537 HG11 VAL 72 1HG1 VAL 72 2.695 3.889 8.588 538 HG12 VAL 72 2HG1 VAL 72 1.612 5.226 8.208 539 HG13 VAL 72 3HG1 VAL 72 2.206 4.180 6.915 540 HG21 VAL 72 3HG2 VAL 72 -0.784 4.800 7.572 541 HG22 VAL 72 1HG2 VAL 72 -1.406 3.150 7.496 542 HG23 VAL 72 2HG2 VAL 72 -0.303 3.734 6.249 543 H ARG 73 H ARG 73 0.927 0.747 10.209 544 HA ARG 73 HA ARG 73 3.612 0.963 11.029 545 HB2 ARG 73 2HB ARG 73 1.808 0.512 12.655 546 HB3 ARG 73 3HB ARG 73 1.519 -1.067 11.934 547 HG2 ARG 73 2HG ARG 73 3.947 -1.639 12.583 548 HG3 ARG 73 3HG ARG 73 3.921 -0.168 13.552 549 HD2 ARG 73 2HD ARG 73 2.182 -1.041 14.965 550 HD3 ARG 73 3HD ARG 73 1.912 -2.418 13.889 551 HE ARG 73 HE ARG 73 4.016 -2.089 15.856 552 HH11 ARG 73 1HH1 ARG 73 3.028 -3.913 13.012 553 HH12 ARG 73 2HH1 ARG 73 4.078 -5.248 13.369 554 HH21 ARG 73 1HH2 ARG 73 5.380 -3.875 16.288 555 HH22 ARG 73 2HH2 ARG 73 5.395 -5.225 15.202 556 H GLN 74 H GLN 74 1.902 -1.751 9.447 557 HA GLN 74 HA GLN 74 4.003 -3.640 9.561 558 HB2 GLN 74 2HB GLN 74 1.857 -3.470 7.403 559 HB3 GLN 74 3HB GLN 74 2.829 -4.881 7.798 560 HG2 GLN 74 2HG GLN 74 0.641 -3.625 9.459 561 HG3 GLN 74 3HG GLN 74 0.622 -5.195 8.673 562 HE21 GLN 74 1HE2 GLN 74 1.809 -6.898 9.618 563 HE22 GLN 74 2HE2 GLN 74 2.303 -6.856 11.272 564 H LEU 75 H LEU 75 3.052 -1.254 7.071 565 HA LEU 75 HA LEU 75 5.006 -1.770 5.142 566 HB2 LEU 75 2HB LEU 75 3.580 0.822 5.859 567 HB3 LEU 75 3HB LEU 75 4.588 0.638 4.430 568 HG LEU 75 HG LEU 75 2.045 -0.949 4.980 569 HD11 LEU 75 1HD1 LEU 75 1.036 0.368 3.174 570 HD12 LEU 75 2HD1 LEU 75 2.510 1.329 3.032 571 HD13 LEU 75 3HD1 LEU 75 1.546 1.401 4.509 572 HD21 LEU 75 3HD2 LEU 75 3.851 -0.919 2.534 573 HD22 LEU 75 1HD2 LEU 75 2.271 -1.705 2.623 574 HD23 LEU 75 2HD2 LEU 75 3.593 -2.270 3.643 575 H ASN 76 H ASN 76 5.104 0.414 7.955 576 HA ASN 76 HA ASN 76 7.663 1.509 7.605 577 HB2 ASN 76 2HB ASN 76 6.150 0.960 10.198 578 HB3 ASN 76 3HB ASN 76 7.596 1.962 10.084 579 HD21 ASN 76 1HD2 ASN 76 4.759 2.555 10.851 580 HD22 ASN 76 2HD2 ASN 76 4.308 3.904 9.872 581 H MET 77 H MET 77 6.666 -1.540 9.173 582 HA MET 77 HA MET 77 9.280 -2.374 10.003 583 HB2 MET 77 2HB MET 77 6.856 -4.117 9.367 584 HB3 MET 77 3HB MET 77 8.316 -4.665 10.178 585 HG2 MET 77 2HG MET 77 7.797 -2.969 11.992 586 HG3 MET 77 3HG MET 77 6.216 -2.777 11.229 587 HE1 MET 77 3HE MET 77 4.647 -5.065 10.706 588 HE2 MET 77 1HE MET 77 4.960 -6.613 11.492 589 HE3 MET 77 2HE MET 77 6.027 -6.048 10.209 590 H TYR 78 H TYR 78 7.487 -2.576 7.009 591 HA TYR 78 HA TYR 78 9.309 -4.409 5.675 592 HB2 TYR 78 2HB TYR 78 6.848 -2.866 4.796 593 HB3 TYR 78 3HB TYR 78 7.840 -3.723 3.632 594 HD1 TYR 78 HD1 TYR 78 8.375 -6.324 4.553 595 HD2 TYR 78 HD2 TYR 78 4.876 -3.998 5.334 596 HE1 TYR 78 HE1 TYR 78 7.064 -8.383 4.854 597 HE2 TYR 78 HE2 TYR 78 3.580 -6.056 5.653 598 HH TYR 78 HH TYR 78 3.709 -8.439 4.890 599 H GLY 79 H GLY 79 9.454 -1.154 6.466 600 HA2 GLY 79 2HA GLY 79 11.202 0.294 6.054 601 HA3 GLY 79 3HA GLY 79 11.768 -0.758 4.770 602 H PHE 80 H PHE 80 8.431 0.176 4.554 603 HA PHE 80 HA PHE 80 8.877 1.629 2.103 604 HB2 PHE 80 2HB PHE 80 6.378 0.972 3.716 605 HB3 PHE 80 3HB PHE 80 6.310 2.089 2.355 606 HD1 PHE 80 HD1 PHE 80 7.310 -1.418 3.237 607 HD2 PHE 80 HD2 PHE 80 6.049 1.265 0.153 608 HE1 PHE 80 HE1 PHE 80 7.045 -3.316 1.686 609 HE2 PHE 80 HE2 PHE 80 5.781 -0.639 -1.380 610 HZ PHE 80 HZ PHE 80 6.275 -2.926 -0.616 611 H ARG 81 H ARG 81 8.947 3.809 1.839 612 HA ARG 81 HA ARG 81 9.113 5.438 4.288 613 HB2 ARG 81 2HB ARG 81 11.104 5.322 2.800 614 HB3 ARG 81 3HB ARG 81 10.153 5.977 1.471 615 HG2 ARG 81 2HG ARG 81 9.926 8.113 2.585 616 HG3 ARG 81 3HG ARG 81 10.628 7.469 4.073 617 HD2 ARG 81 2HD ARG 81 12.069 7.830 1.420 618 HD3 ARG 81 3HD ARG 81 12.278 8.817 2.875 619 HE ARG 81 HE ARG 81 12.880 6.433 3.854 620 HH11 ARG 81 1HH1 ARG 81 13.984 7.866 0.849 621 HH12 ARG 81 2HH1 ARG 81 15.473 6.980 0.833 622 HH21 ARG 81 1HH2 ARG 81 14.783 5.195 3.770 623 HH22 ARG 81 2HH2 ARG 81 15.927 5.459 2.493 624 H LYS 82 H LYS 82 7.515 6.770 4.734 625 HA LYS 82 HA LYS 82 5.254 7.260 2.993 626 HB2 LYS 82 2HB LYS 82 5.183 6.778 5.502 627 HB3 LYS 82 3HB LYS 82 5.905 8.348 5.785 628 HG2 LYS 82 2HG LYS 82 3.238 7.978 4.403 629 HG3 LYS 82 3HG LYS 82 3.399 8.153 6.146 630 HD2 LYS 82 2HD LYS 82 4.487 10.412 5.731 631 HD3 LYS 82 3HD LYS 82 4.107 10.210 4.019 632 HE2 LYS 82 2HE LYS 82 2.402 11.593 5.027 633 HE3 LYS 82 3HE LYS 82 1.680 10.044 4.621 634 HZ1 LYS 82 3HZ LYS 82 1.828 9.383 6.908 635 HZ2 LYS 82 1HZ LYS 82 1.028 10.865 6.815 636 HZ3 LYS 82 2HZ LYS 82 2.634 10.806 7.324 637 H VAL 83 H VAL 83 5.071 9.037 1.698 638 HA VAL 83 HA VAL 83 6.747 11.444 2.159 639 HB VAL 83 HB VAL 83 5.897 10.306 -0.561 640 HG11 VAL 83 1HG1 VAL 83 7.684 12.683 0.087 641 HG12 VAL 83 2HG1 VAL 83 6.057 12.757 -0.598 642 HG13 VAL 83 3HG1 VAL 83 7.375 12.043 -1.528 643 HG21 VAL 83 3HG2 VAL 83 7.628 8.888 0.452 644 HG22 VAL 83 1HG2 VAL 83 8.653 10.300 0.725 645 HG23 VAL 83 2HG2 VAL 83 8.288 9.777 -0.921 646 H VAL 84 H VAL 84 5.576 13.288 2.347 647 HA VAL 84 HA VAL 84 2.655 13.239 1.951 648 HB VAL 84 HB VAL 84 4.359 15.487 3.152 649 HG11 VAL 84 1HG1 VAL 84 1.368 14.951 3.369 650 HG12 VAL 84 2HG1 VAL 84 2.127 16.203 2.383 651 HG13 VAL 84 3HG1 VAL 84 2.243 16.277 4.141 652 HG21 VAL 84 3HG2 VAL 84 4.662 13.436 4.497 653 HG22 VAL 84 1HG2 VAL 84 2.914 13.283 4.674 654 HG23 VAL 84 2HG2 VAL 84 3.758 14.659 5.389 655 H HIS 85 H HIS 85 1.713 14.328 0.246 656 HA HIS 85 HA HIS 85 3.383 16.206 -1.356 657 HB2 HIS 85 2HB HIS 85 1.198 14.313 -2.319 658 HB3 HIS 85 3HB HIS 85 1.913 15.572 -3.320 659 HD1 HIS 85 HD1 HIS 85 3.897 14.874 -4.670 660 HD2 HIS 85 HD2 HIS 85 3.226 12.279 -1.488 661 HE1 HIS 85 HE1 HIS 85 5.551 13.008 -4.960 662 HE2 HIS 85 HE2 HIS 85 4.995 11.367 -3.150 663 H ILE 86 H ILE 86 0.936 16.157 0.831 664 HA ILE 86 HA ILE 86 -0.550 18.432 -0.353 665 HB ILE 86 HB ILE 86 -1.366 16.574 1.943 666 HG12 ILE 86 2HG1 ILE 86 -1.465 15.427 -0.254 667 HG13 ILE 86 3HG1 ILE 86 -3.073 15.664 0.410 668 HG21 ILE 86 1HG2 ILE 86 -3.586 17.683 1.835 669 HG22 ILE 86 2HG2 ILE 86 -2.960 18.830 0.648 670 HG23 ILE 86 3HG2 ILE 86 -2.309 18.813 2.288 671 HD11 ILE 86 3HD1 ILE 86 -3.429 17.543 -1.131 672 HD12 ILE 86 1HD1 ILE 86 -3.038 16.050 -1.986 673 HD13 ILE 86 2HD1 ILE 86 -1.811 17.300 -1.795 674 H GLU 87 H GLU 87 0.724 20.160 0.241 675 HA GLU 87 HA GLU 87 1.718 20.540 2.938 676 HB2 GLU 87 2HB GLU 87 1.671 22.424 0.537 677 HB3 GLU 87 3HB GLU 87 2.457 22.782 2.071 678 HG2 GLU 87 2HG GLU 87 3.209 20.605 0.109 679 HG3 GLU 87 3HG GLU 87 4.109 22.083 0.451 680 H GLN 88 H GLN 88 1.218 22.641 4.053 681 HA GLN 88 HA GLN 88 -1.682 23.249 4.018 682 HB2 GLN 88 2HB GLN 88 0.343 23.648 6.277 683 HB3 GLN 88 3HB GLN 88 -1.383 23.978 6.370 684 HG2 GLN 88 2HG GLN 88 -0.112 21.253 5.995 685 HG3 GLN 88 3HG GLN 88 -0.806 21.869 7.492 686 HE21 GLN 88 1HE2 GLN 88 -1.499 20.493 4.357 687 HE22 GLN 88 2HE2 GLN 88 -3.191 20.244 4.612 688 H GLY 89 H GLY 89 -2.238 25.195 3.240 689 HA2 GLY 89 2HA GLY 89 -1.146 27.661 3.881 690 HA3 GLY 89 3HA GLY 89 -0.333 27.157 2.402 691 H GLY 90 H GLY 90 -1.843 26.339 0.658 692 HA2 GLY 90 2HA GLY 90 -4.531 27.024 0.419 693 HA3 GLY 90 3HA GLY 90 -3.604 28.436 -0.089 694 H LEU 91 H LEU 91 -4.016 24.963 -0.653 695 HA LEU 91 HA LEU 91 -2.551 25.016 -3.184 696 HB2 LEU 91 2HB LEU 91 -4.064 22.756 -1.820 697 HB3 LEU 91 3HB LEU 91 -2.989 22.579 -3.193 698 HG LEU 91 HG LEU 91 -2.121 23.438 -0.400 699 HD11 LEU 91 1HD1 LEU 91 -1.786 20.748 -1.779 700 HD12 LEU 91 2HD1 LEU 91 -2.836 21.092 -0.402 701 HD13 LEU 91 3HD1 LEU 91 -1.088 21.203 -0.222 702 HD21 LEU 91 3HD2 LEU 91 -0.670 24.373 -2.156 703 HD22 LEU 91 1HD2 LEU 91 -0.429 22.757 -2.825 704 HD23 LEU 91 2HD2 LEU 91 0.178 23.148 -1.213 705 H VAL 92 H VAL 92 -3.492 24.476 -5.201 706 HA VAL 92 HA VAL 92 -6.380 24.762 -5.599 707 HB VAL 92 HB VAL 92 -4.738 25.763 -7.235 708 HG11 VAL 92 1HG1 VAL 92 -3.003 24.033 -7.178 709 HG12 VAL 92 2HG1 VAL 92 -3.526 24.332 -8.836 710 HG13 VAL 92 3HG1 VAL 92 -4.083 22.891 -7.980 711 HG21 VAL 92 3HG2 VAL 92 -5.900 25.077 -9.312 712 HG22 VAL 92 1HG2 VAL 92 -7.042 25.302 -7.986 713 HG23 VAL 92 2HG2 VAL 92 -6.575 23.673 -8.480 714 H LYS 93 H LYS 93 -4.097 22.372 -4.935 715 HA LYS 93 HA LYS 93 -5.108 19.993 -6.085 716 HB2 LYS 93 2HB LYS 93 -3.580 20.323 -3.455 717 HB3 LYS 93 3HB LYS 93 -3.648 18.875 -4.457 718 HG2 LYS 93 2HG LYS 93 -2.313 19.927 -6.189 719 HG3 LYS 93 3HG LYS 93 -2.415 21.490 -5.371 720 HD2 LYS 93 2HD LYS 93 -0.220 20.517 -4.969 721 HD3 LYS 93 3HD LYS 93 -1.124 20.561 -3.455 722 HE2 LYS 93 2HE LYS 93 0.093 18.449 -3.702 723 HE3 LYS 93 3HE LYS 93 -1.646 18.164 -3.693 724 HZ1 LYS 93 3HZ LYS 93 -0.483 16.889 -5.401 725 HZ2 LYS 93 1HZ LYS 93 0.040 18.317 -6.129 726 HZ3 LYS 93 2HZ LYS 93 -1.605 17.948 -6.075 727 HA PRO 94 HA PRO 94 -8.499 19.055 -3.163 728 HB2 PRO 94 2HB PRO 94 -8.425 16.329 -3.015 729 HB3 PRO 94 3HB PRO 94 -8.999 17.174 -4.470 730 HG2 PRO 94 2HG PRO 94 -6.269 16.047 -3.918 731 HG3 PRO 94 3HG PRO 94 -7.296 15.815 -5.358 732 HD2 PRO 94 2HD PRO 94 -5.309 17.634 -5.371 733 HD3 PRO 94 3HD PRO 94 -6.856 17.978 -6.181 734 H GLU 95 H GLU 95 -8.679 18.821 -0.968 735 HA GLU 95 HA GLU 95 -6.216 18.946 0.566 736 HB2 GLU 95 2HB GLU 95 -7.663 19.635 2.455 737 HB3 GLU 95 3HB GLU 95 -7.948 20.607 1.017 738 HG2 GLU 95 2HG GLU 95 -10.018 19.420 0.551 739 HG3 GLU 95 3HG GLU 95 -9.705 18.281 1.858 740 H ARG 96 H ARG 96 -7.982 16.394 -0.420 741 HA ARG 96 HA ARG 96 -8.144 14.694 1.822 742 HB2 ARG 96 2HB ARG 96 -8.283 12.856 0.188 743 HB3 ARG 96 3HB ARG 96 -9.265 14.219 -0.329 744 HG2 ARG 96 2HG ARG 96 -7.396 14.895 -1.888 745 HG3 ARG 96 3HG ARG 96 -6.575 13.392 -1.455 746 HD2 ARG 96 2HD ARG 96 -7.806 13.150 -3.569 747 HD3 ARG 96 3HD ARG 96 -8.480 12.085 -2.328 748 HE ARG 96 HE ARG 96 -9.913 14.501 -2.288 749 HH11 ARG 96 1HH1 ARG 96 -9.509 11.741 -4.454 750 HH12 ARG 96 2HH1 ARG 96 -11.087 11.922 -5.150 751 HH21 ARG 96 1HH2 ARG 96 -11.966 14.721 -3.220 752 HH22 ARG 96 2HH2 ARG 96 -12.482 13.612 -4.450 753 H ASP 97 H ASP 97 -6.783 12.599 1.848 754 HA ASP 97 HA ASP 97 -4.079 13.460 2.534 755 HB2 ASP 97 2HB ASP 97 -5.098 10.595 2.764 756 HB3 ASP 97 3HB ASP 97 -3.878 11.410 3.737 757 H ASP 98 H ASP 98 -2.492 13.369 0.964 758 HA ASP 98 HA ASP 98 -2.534 11.024 -0.860 759 HB2 ASP 98 2HB ASP 98 -2.699 13.164 -2.132 760 HB3 ASP 98 3HB ASP 98 -1.177 13.700 -1.413 761 H THR 99 H THR 99 -1.269 9.569 -0.083 762 HA THR 99 HA THR 99 1.252 10.249 1.316 763 HB THR 99 HB THR 99 -0.911 8.215 2.028 764 HG1 THR 99 HG1 THR 99 -0.932 10.567 2.671 765 HG21 THR 99 3HG2 THR 99 1.829 8.552 3.294 766 HG22 THR 99 1HG2 THR 99 1.271 7.143 2.391 767 HG23 THR 99 2HG2 THR 99 0.523 7.553 3.935 768 H GLU 100 H GLU 100 2.909 9.471 0.190 769 HA GLU 100 HA GLU 100 2.531 7.272 -1.741 770 HB2 GLU 100 2HB GLU 100 3.363 9.440 -2.642 771 HB3 GLU 100 3HB GLU 100 4.737 9.376 -1.542 772 HG2 GLU 100 2HG GLU 100 5.393 7.187 -2.679 773 HG3 GLU 100 3HG GLU 100 4.153 7.537 -3.884 774 H PHE 101 H PHE 101 3.089 5.341 -0.833 775 HA PHE 101 HA PHE 101 5.440 5.145 0.933 776 HB2 PHE 101 2HB PHE 101 3.423 3.019 0.070 777 HB3 PHE 101 3HB PHE 101 4.745 2.763 1.204 778 HD1 PHE 101 HD1 PHE 101 4.753 4.172 3.374 779 HD2 PHE 101 HD2 PHE 101 1.308 3.755 0.866 780 HE1 PHE 101 HE1 PHE 101 3.298 4.825 5.250 781 HE2 PHE 101 HE2 PHE 101 -0.136 4.400 2.752 782 HZ PHE 101 HZ PHE 101 0.858 4.931 4.942 783 H GLN 102 H GLN 102 7.356 4.742 0.040 784 HA GLN 102 HA GLN 102 7.530 3.416 -2.615 785 HB2 GLN 102 2HB GLN 102 9.435 4.893 -3.159 786 HB3 GLN 102 3HB GLN 102 7.975 5.821 -2.848 787 HG2 GLN 102 2HG GLN 102 8.798 6.428 -0.619 788 HG3 GLN 102 3HG GLN 102 10.249 5.457 -0.869 789 HE21 GLN 102 1HE2 GLN 102 10.164 8.238 -0.251 790 HE22 GLN 102 2HE2 GLN 102 10.884 9.090 -1.567 791 H HIS 103 H HIS 103 9.116 1.890 -2.875 792 HA HIS 103 HA HIS 103 11.266 1.501 -0.971 793 HB2 HIS 103 2HB HIS 103 9.218 0.400 0.118 794 HB3 HIS 103 3HB HIS 103 9.187 -0.730 -1.230 795 HD1 HIS 103 HD1 HIS 103 10.658 -2.771 -1.006 796 HD2 HIS 103 HD2 HIS 103 11.621 0.182 1.751 797 HE1 HIS 103 HE1 HIS 103 12.413 -3.767 0.486 798 HE2 HIS 103 HE2 HIS 103 13.036 -1.946 2.079 799 HA PRO 104 HA PRO 104 13.011 0.341 -4.924 800 HB2 PRO 104 2HB PRO 104 15.358 -0.873 -4.109 801 HB3 PRO 104 3HB PRO 104 15.095 0.880 -4.028 802 HG2 PRO 104 2HG PRO 104 14.766 -1.166 -1.835 803 HG3 PRO 104 3HG PRO 104 15.621 0.400 -1.795 804 HD2 PRO 104 2HD PRO 104 13.148 0.191 -0.798 805 HD3 PRO 104 3HD PRO 104 13.628 1.641 -1.713 806 H CYS 105 H CYS 105 12.400 -2.156 -2.533 807 HA CYS 105 HA CYS 105 12.806 -4.341 -4.450 808 HB2 CYS 105 2HB CYS 105 11.872 -4.573 -1.569 809 HB3 CYS 105 3HB CYS 105 12.591 -5.829 -2.575 810 HG CYS 105 HG CYS 105 15.069 -5.300 -2.069 811 H PHE 106 H PHE 106 10.302 -2.244 -3.836 812 HA PHE 106 HA PHE 106 8.173 -4.220 -4.459 813 HB2 PHE 106 2HB PHE 106 7.764 -2.738 -2.466 814 HB3 PHE 106 3HB PHE 106 7.925 -1.322 -3.490 815 HD1 PHE 106 HD2 PHE 106 6.102 -0.717 -5.096 816 HD2 PHE 106 HD1 PHE 106 5.710 -4.091 -2.490 817 HE1 PHE 106 HE2 PHE 106 3.673 -0.766 -5.512 818 HE2 PHE 106 HE1 PHE 106 3.284 -4.129 -2.913 819 HZ PHE 106 HZ PHE 106 2.264 -2.468 -4.419 820 H LEU 107 H LEU 107 8.481 -4.454 -6.693 821 HA LEU 107 HA LEU 107 8.288 -2.000 -8.352 822 HB2 LEU 107 2HB LEU 107 9.765 -4.564 -9.044 823 HB3 LEU 107 3HB LEU 107 9.708 -3.107 -10.019 824 HG LEU 107 HG LEU 107 11.099 -3.395 -7.325 825 HD11 LEU 107 1HD1 LEU 107 12.260 -4.597 -9.129 826 HD12 LEU 107 2HD1 LEU 107 13.186 -3.194 -8.595 827 HD13 LEU 107 3HD1 LEU 107 12.280 -3.125 -10.109 828 HD21 LEU 107 3HD2 LEU 107 12.004 -1.145 -7.721 829 HD22 LEU 107 1HD2 LEU 107 10.244 -1.111 -7.614 830 HD23 LEU 107 2HD2 LEU 107 11.034 -0.998 -9.187 831 H ARG 108 H ARG 108 7.452 -2.322 -10.485 832 HA ARG 108 HA ARG 108 5.036 -3.663 -10.841 833 HB2 ARG 108 2HB ARG 108 5.483 -3.197 -13.338 834 HB3 ARG 108 3HB ARG 108 5.526 -1.804 -12.263 835 HG2 ARG 108 2HG ARG 108 7.954 -1.763 -12.288 836 HG3 ARG 108 3HG ARG 108 8.018 -3.273 -13.197 837 HD2 ARG 108 2HD ARG 108 6.772 -0.718 -14.268 838 HD3 ARG 108 3HD ARG 108 8.449 -1.190 -14.550 839 HE ARG 108 HE ARG 108 6.526 -3.194 -15.314 840 HH11 ARG 108 1HH1 ARG 108 8.264 -0.347 -16.485 841 HH12 ARG 108 2HH1 ARG 108 8.090 -0.799 -18.151 842 HH21 ARG 108 1HH2 ARG 108 6.364 -3.781 -17.484 843 HH22 ARG 108 2HH2 ARG 108 7.015 -2.741 -18.716 844 H GLY 109 H GLY 109 4.693 -5.806 -10.888 845 HA2 GLY 109 2HA GLY 109 4.664 -7.974 -11.617 846 HA3 GLY 109 3HA GLY 109 5.772 -7.510 -12.890 847 H GLN 110 H GLN 110 7.042 -6.787 -9.811 848 HA GLN 110 HA GLN 110 8.883 -9.088 -10.016 849 HB2 GLN 110 2HB GLN 110 9.200 -6.349 -8.729 850 HB3 GLN 110 3HB GLN 110 10.380 -7.642 -8.542 851 HG2 GLN 110 2HG GLN 110 9.563 -6.456 -11.213 852 HG3 GLN 110 3HG GLN 110 10.972 -5.938 -10.285 853 HE21 GLN 110 1HE2 GLN 110 12.755 -7.333 -10.136 854 HE22 GLN 110 2HE2 GLN 110 12.976 -8.659 -11.213 855 H GLU 111 H GLU 111 6.817 -10.135 -9.064 856 HA GLU 111 HA GLU 111 6.203 -10.093 -6.356 857 HB2 GLU 111 2HB GLU 111 5.439 -12.437 -6.645 858 HB3 GLU 111 3HB GLU 111 4.911 -11.406 -7.969 859 HG2 GLU 111 2HG GLU 111 6.526 -12.338 -9.479 860 HG3 GLU 111 3HG GLU 111 7.376 -13.158 -8.176 861 H GLN 112 H GLN 112 8.936 -11.582 -8.001 862 HA GLN 112 HA GLN 112 9.800 -13.259 -5.889 863 HB2 GLN 112 2HB GLN 112 11.746 -13.727 -7.187 864 HB3 GLN 112 3HB GLN 112 10.405 -13.587 -8.304 865 HG2 GLN 112 2HG GLN 112 12.188 -11.201 -7.857 866 HG3 GLN 112 3HG GLN 112 12.756 -12.532 -8.853 867 HE21 GLN 112 1HE2 GLN 112 12.851 -11.271 -10.697 868 HE22 GLN 112 2HE2 GLN 112 11.436 -10.714 -11.526 869 H LEU 113 H LEU 113 10.094 -9.859 -6.337 870 HA LEU 113 HA LEU 113 12.349 -9.621 -4.460 871 HB2 LEU 113 2HB LEU 113 10.930 -7.507 -6.119 872 HB3 LEU 113 3HB LEU 113 12.259 -7.186 -5.013 873 HG LEU 113 HG LEU 113 12.402 -8.824 -7.581 874 HD11 LEU 113 1HD1 LEU 113 12.338 -6.399 -7.954 875 HD12 LEU 113 2HD1 LEU 113 13.919 -7.057 -8.364 876 HD13 LEU 113 3HD1 LEU 113 13.699 -6.177 -6.850 877 HD21 LEU 113 3HD2 LEU 113 13.866 -9.869 -5.915 878 HD22 LEU 113 1HD2 LEU 113 14.611 -8.311 -5.551 879 HD23 LEU 113 2HD2 LEU 113 14.835 -9.053 -7.138 880 H LEU 114 H LEU 114 8.886 -9.436 -4.554 881 HA LEU 114 HA LEU 114 8.423 -7.723 -2.325 882 HB2 LEU 114 2HB LEU 114 6.665 -9.976 -3.371 883 HB3 LEU 114 3HB LEU 114 6.150 -8.713 -2.263 884 HG LEU 114 HG LEU 114 6.946 -8.334 -5.176 885 HD11 LEU 114 1HD1 LEU 114 4.749 -9.378 -4.903 886 HD12 LEU 114 2HD1 LEU 114 4.596 -7.740 -5.529 887 HD13 LEU 114 3HD1 LEU 114 4.239 -8.069 -3.832 888 HD21 LEU 114 3HD2 LEU 114 6.058 -6.230 -3.171 889 HD22 LEU 114 1HD2 LEU 114 6.271 -5.974 -4.905 890 HD23 LEU 114 2HD2 LEU 114 7.660 -6.374 -3.900 891 H GLU 115 H GLU 115 8.904 -11.198 -2.644 892 HA GLU 115 HA GLU 115 8.558 -11.879 0.101 893 HB2 GLU 115 2HB GLU 115 9.671 -14.003 -0.463 894 HB3 GLU 115 3HB GLU 115 8.414 -13.587 -1.619 895 HG2 GLU 115 2HG GLU 115 9.990 -13.023 -3.307 896 HG3 GLU 115 3HG GLU 115 11.330 -12.993 -2.165 897 H ASN 116 H ASN 116 11.045 -10.148 -1.419 898 HA ASN 116 HA ASN 116 13.105 -10.891 0.562 899 HB2 ASN 116 2HB ASN 116 13.265 -9.433 -2.114 900 HB3 ASN 116 3HB ASN 116 14.590 -9.381 -0.954 901 HD21 ASN 116 1HD2 ASN 116 12.722 -11.481 -3.047 902 HD22 ASN 116 2HD2 ASN 116 13.880 -12.755 -3.117 903 H ILE 117 H ILE 117 10.563 -8.858 0.406 904 HA ILE 117 HA ILE 117 11.828 -6.564 1.714 905 HB ILE 117 HB ILE 117 8.841 -7.081 1.265 906 HG12 ILE 117 2HG1 ILE 117 10.756 -5.418 -0.437 907 HG13 ILE 117 3HG1 ILE 117 10.024 -6.944 -0.914 908 HG21 ILE 117 1HG2 ILE 117 8.573 -4.658 1.652 909 HG22 ILE 117 2HG2 ILE 117 10.307 -4.504 1.944 910 HG23 ILE 117 3HG2 ILE 117 9.308 -5.445 3.051 911 HD11 ILE 117 3HD1 ILE 117 8.920 -5.084 -1.973 912 HD12 ILE 117 1HD1 ILE 117 8.563 -4.353 -0.410 913 HD13 ILE 117 2HD1 ILE 117 7.810 -5.886 -0.863 914 H LYS 118 H LYS 118 12.065 -6.477 3.885 915 HA LYS 118 HA LYS 118 11.370 -8.926 5.359 916 HB2 LYS 118 2HB LYS 118 13.395 -6.799 6.167 917 HB3 LYS 118 3HB LYS 118 13.287 -8.459 6.739 918 HG2 LYS 118 2HG LYS 118 14.166 -7.531 3.989 919 HG3 LYS 118 3HG LYS 118 15.183 -8.248 5.238 920 HD2 LYS 118 2HD LYS 118 12.888 -9.687 3.862 921 HD3 LYS 118 3HD LYS 118 14.568 -9.809 3.352 922 HE2 LYS 118 2HE LYS 118 13.619 -10.572 6.124 923 HE3 LYS 118 3HE LYS 118 13.705 -11.707 4.784 924 HZ1 LYS 118 3HZ LYS 118 15.665 -11.878 6.130 925 HZ2 LYS 118 1HZ LYS 118 15.984 -10.224 5.976 926 HZ3 LYS 118 2HZ LYS 118 16.091 -11.235 4.628 927 H ARG 119 H ARG 119 9.981 -8.915 7.058 928 HA ARG 119 HA ARG 119 9.152 -6.361 8.318 929 HB2 ARG 119 2HB ARG 119 7.174 -7.700 9.146 930 HB3 ARG 119 3HB ARG 119 7.255 -7.502 7.400 931 HG2 ARG 119 2HG ARG 119 8.181 -9.790 7.185 932 HG3 ARG 119 3HG ARG 119 8.059 -9.998 8.933 933 HD2 ARG 119 2HD ARG 119 5.632 -9.816 8.825 934 HD3 ARG 119 3HD ARG 119 5.704 -9.440 7.100 935 HE ARG 119 HE ARG 119 6.920 -11.836 7.196 936 HH11 ARG 119 1HH1 ARG 119 3.853 -10.776 8.564 937 HH12 ARG 119 2HH1 ARG 119 3.117 -12.339 8.422 938 HH21 ARG 119 1HH2 ARG 119 5.907 -13.829 6.911 939 HH22 ARG 119 2HH2 ARG 119 4.289 -14.071 7.483 940 H LYS 120 H LYS 120 11.096 -9.088 8.862 941 HA LYS 120 HA LYS 120 10.933 -8.890 11.804 942 HB2 LYS 120 2HB LYS 120 12.501 -10.856 10.076 943 HB3 LYS 120 3HB LYS 120 12.418 -10.880 11.836 944 HG2 LYS 120 2HG LYS 120 9.924 -11.266 11.637 945 HG3 LYS 120 3HG LYS 120 10.150 -11.430 9.893 946 HD2 LYS 120 2HD LYS 120 11.395 -13.192 12.045 947 HD3 LYS 120 3HD LYS 120 10.082 -13.649 10.961 948 HE2 LYS 120 2HE LYS 120 11.595 -13.526 9.034 949 HE3 LYS 120 3HE LYS 120 12.903 -12.946 10.068 950 HZ1 LYS 120 3HZ LYS 120 13.185 -15.276 9.650 951 HZ2 LYS 120 1HZ LYS 120 11.615 -15.616 10.181 952 HZ3 LYS 120 2HZ LYS 120 12.777 -15.073 11.278 953 H VAL 121 H VAL 121 13.128 -9.049 12.901 954 HA VAL 121 HA VAL 121 14.565 -7.601 13.801 955 HB VAL 121 HB VAL 121 16.035 -9.280 12.904 956 HG11 VAL 121 1HG1 VAL 121 16.344 -7.625 10.385 957 HG12 VAL 121 2HG1 VAL 121 15.527 -9.179 10.515 958 HG13 VAL 121 3HG1 VAL 121 17.267 -9.079 10.789 959 HG21 VAL 121 3HG2 VAL 121 17.302 -6.534 12.598 960 HG22 VAL 121 1HG2 VAL 121 18.161 -8.047 12.898 961 HG23 VAL 121 2HG2 VAL 121 17.064 -7.399 14.118 962 H THR 122 H THR 122 13.161 -5.851 13.661 963 HA THR 122 HA THR 122 14.109 -3.434 12.474 964 HB THR 122 HB THR 122 13.070 -4.520 10.456 965 HG1 THR 122 HG1 THR 122 12.181 -2.672 9.796 966 HG21 THR 122 3HG2 THR 122 10.616 -4.802 10.301 967 HG22 THR 122 1HG2 THR 122 10.450 -4.353 12.000 968 HG23 THR 122 2HG2 THR 122 11.285 -5.843 11.558 969 H SER 123 H SER 123 11.528 -2.060 12.591 970 HA SER 123 HA SER 123 11.137 -1.814 15.417 971 HB2 SER 123 2HB SER 123 9.402 -0.122 14.773 972 HB3 SER 123 3HB SER 123 10.939 0.149 13.953 973 HG SER 123 HG SER 123 8.537 -0.910 12.906 974 H VAL 124 H VAL 124 10.593 -4.157 15.744 975 HA VAL 124 HA VAL 124 7.852 -4.980 15.067 976 HB VAL 124 HB VAL 124 9.890 -6.572 16.720 977 HG11 VAL 124 1HG1 VAL 124 7.425 -7.468 15.168 978 HG12 VAL 124 2HG1 VAL 124 7.569 -7.369 16.923 979 HG13 VAL 124 3HG1 VAL 124 8.536 -8.540 16.027 980 HG21 VAL 124 3HG2 VAL 124 9.491 -6.685 13.696 981 HG22 VAL 124 1HG2 VAL 124 10.517 -7.776 14.634 982 HG23 VAL 124 2HG2 VAL 124 10.914 -6.059 14.528 983 H SER 125 H SER 125 7.262 -2.954 16.320 984 HA SER 125 HA SER 125 6.266 -3.702 18.943 985 HB2 SER 125 2HB SER 125 8.077 -1.261 18.582 986 HB3 SER 125 3HB SER 125 7.078 -1.550 20.005 987 HG SER 125 HG SER 125 8.316 -3.678 19.993 Start of MODEL 11 1 H1 MET 1 1H MET 1 -23.228 -44.907 -20.213 2 H2 MET 1 2H MET 1 -21.642 -44.323 -20.272 3 H3 MET 1 3H MET 1 -22.199 -45.112 -18.888 4 HA MET 1 HA MET 1 -22.418 -47.170 -20.055 5 HB2 MET 1 2HB MET 1 -21.299 -45.618 -22.438 6 HB3 MET 1 3HB MET 1 -21.541 -47.359 -22.399 7 HG2 MET 1 2HG MET 1 -23.951 -47.052 -22.236 8 HG3 MET 1 3HG MET 1 -23.744 -45.300 -22.163 9 HE1 MET 1 3HE MET 1 -25.698 -46.763 -24.305 10 HE2 MET 1 1HE MET 1 -25.307 -45.835 -25.748 11 HE3 MET 1 2HE MET 1 -25.492 -45.012 -24.197 12 H GLY 2 H GLY 2 -20.684 -48.630 -19.892 13 HA2 GLY 2 2HA GLY 2 -18.597 -49.407 -19.333 14 HA3 GLY 2 3HA GLY 2 -17.919 -47.925 -19.993 15 H HIS 3 H HIS 3 -17.142 -46.410 -18.592 16 HA HIS 3 HA HIS 3 -18.261 -45.959 -15.993 17 HB2 HIS 3 2HB HIS 3 -16.335 -46.446 -14.587 18 HB3 HIS 3 3HB HIS 3 -16.724 -47.900 -15.491 19 HD1 HIS 3 HD1 HIS 3 -14.097 -45.233 -15.156 20 HD2 HIS 3 HD2 HIS 3 -14.696 -48.795 -17.219 21 HE1 HIS 3 HE1 HIS 3 -11.872 -45.817 -16.160 22 HE2 HIS 3 HE2 HIS 3 -12.280 -47.923 -17.474 23 H HIS 4 H HIS 4 -17.830 -43.886 -15.286 24 HA HIS 4 HA HIS 4 -15.570 -42.364 -16.258 25 HB2 HIS 4 2HB HIS 4 -17.226 -42.063 -18.118 26 HB3 HIS 4 3HB HIS 4 -18.390 -41.404 -16.972 27 HD1 HIS 4 HD1 HIS 4 -18.300 -38.917 -16.638 28 HD2 HIS 4 HD2 HIS 4 -14.807 -40.380 -18.363 29 HE1 HIS 4 HE1 HIS 4 -16.923 -36.893 -17.207 30 HE2 HIS 4 HE2 HIS 4 -14.773 -37.808 -18.130 31 H HIS 5 H HIS 5 -15.174 -42.536 -14.017 32 HA HIS 5 HA HIS 5 -16.529 -40.466 -12.388 33 HB2 HIS 5 2HB HIS 5 -17.122 -42.907 -11.746 34 HB3 HIS 5 3HB HIS 5 -15.441 -43.098 -11.265 35 HD1 HIS 5 HD1 HIS 5 -18.606 -42.444 -9.848 36 HD2 HIS 5 HD2 HIS 5 -14.798 -40.946 -9.146 37 HE1 HIS 5 HE1 HIS 5 -18.671 -41.512 -7.521 38 HE2 HIS 5 HE2 HIS 5 -16.303 -40.802 -7.071 39 H HIS 6 H HIS 6 -14.860 -39.047 -13.131 40 HA HIS 6 HA HIS 6 -12.080 -39.634 -12.273 41 HB2 HIS 6 2HB HIS 6 -12.220 -39.182 -14.665 42 HB3 HIS 6 3HB HIS 6 -13.141 -37.706 -14.393 43 HD1 HIS 6 HD1 HIS 6 -11.805 -35.576 -14.101 44 HD2 HIS 6 HD2 HIS 6 -9.421 -38.967 -13.771 45 HE1 HIS 6 HE1 HIS 6 -9.444 -34.736 -13.957 46 HE2 HIS 6 HE2 HIS 6 -8.024 -36.804 -13.937 47 H HIS 7 H HIS 7 -11.271 -38.544 -10.625 48 HA HIS 7 HA HIS 7 -11.937 -35.741 -10.076 49 HB2 HIS 7 2HB HIS 7 -12.269 -37.983 -8.027 50 HB3 HIS 7 3HB HIS 7 -11.999 -36.318 -7.530 51 HD1 HIS 7 HD1 HIS 7 -13.949 -34.673 -7.768 52 HD2 HIS 7 HD2 HIS 7 -14.878 -38.514 -9.060 53 HE1 HIS 7 HE1 HIS 7 -16.443 -34.707 -8.047 54 HE2 HIS 7 HE2 HIS 7 -16.964 -36.994 -8.939 55 H HIS 8 H HIS 8 -10.295 -34.731 -8.627 56 HA HIS 8 HA HIS 8 -8.020 -36.104 -7.650 57 HB2 HIS 8 2HB HIS 8 -7.780 -35.271 -10.436 58 HB3 HIS 8 3HB HIS 8 -6.676 -34.294 -9.482 59 HD1 HIS 8 HD1 HIS 8 -7.371 -37.885 -10.409 60 HD2 HIS 8 HD2 HIS 8 -4.400 -35.631 -8.572 61 HE1 HIS 8 HE1 HIS 8 -5.402 -39.425 -10.168 62 HE2 HIS 8 HE2 HIS 8 -3.653 -38.073 -8.966 63 H SER 9 H SER 9 -6.678 -34.772 -6.358 64 HA SER 9 HA SER 9 -8.174 -32.600 -5.187 65 HB2 SER 9 2HB SER 9 -5.474 -33.770 -4.393 66 HB3 SER 9 3HB SER 9 -6.426 -32.643 -3.421 67 HG SER 9 HG SER 9 -7.620 -35.029 -4.318 68 H HIS 10 H HIS 10 -8.162 -30.824 -6.436 69 HA HIS 10 HA HIS 10 -5.877 -29.809 -7.859 70 HB2 HIS 10 2HB HIS 10 -8.541 -28.444 -7.267 71 HB3 HIS 10 3HB HIS 10 -7.375 -27.965 -8.501 72 HD1 HIS 10 HD1 HIS 10 -10.498 -29.401 -8.442 73 HD2 HIS 10 HD2 HIS 10 -6.934 -30.628 -10.180 74 HE1 HIS 10 HE1 HIS 10 -11.159 -30.955 -10.288 75 HE2 HIS 10 HE2 HIS 10 -9.003 -31.474 -11.465 76 H MET 11 H MET 11 -4.325 -28.483 -7.074 77 HA MET 11 HA MET 11 -4.762 -26.975 -4.570 78 HB2 MET 11 2HB MET 11 -2.611 -27.796 -3.661 79 HB3 MET 11 3HB MET 11 -3.755 -29.105 -3.903 80 HG2 MET 11 2HG MET 11 -1.672 -29.957 -4.596 81 HG3 MET 11 3HG MET 11 -2.527 -29.592 -6.091 82 HE1 MET 11 3HE MET 11 0.389 -28.598 -3.660 83 HE2 MET 11 1HE MET 11 -0.566 -27.114 -3.601 84 HE3 MET 11 2HE MET 11 1.009 -27.119 -4.392 85 H ALA 12 H ALA 12 -3.203 -25.294 -4.188 86 HA ALA 12 HA ALA 12 -1.388 -24.465 -6.326 87 HB1 ALA 12 3HB ALA 12 -2.379 -22.201 -6.506 88 HB2 ALA 12 1HB ALA 12 -3.688 -22.677 -5.418 89 HB3 ALA 12 2HB ALA 12 -3.539 -23.433 -7.004 90 H GLY 13 H GLY 13 0.368 -24.553 -4.983 91 HA2 GLY 13 2HA GLY 13 0.330 -23.908 -2.197 92 HA3 GLY 13 3HA GLY 13 1.747 -24.284 -3.163 93 HA PRO 14 HA PRO 14 1.423 -19.515 -2.462 94 HB2 PRO 14 2HB PRO 14 2.186 -19.035 0.092 95 HB3 PRO 14 3HB PRO 14 0.509 -19.490 -0.278 96 HG2 PRO 14 2HG PRO 14 2.743 -21.233 0.734 97 HG3 PRO 14 3HG PRO 14 1.063 -21.106 1.316 98 HD2 PRO 14 2HD PRO 14 1.885 -23.077 -0.416 99 HD3 PRO 14 3HD PRO 14 0.224 -22.445 -0.391 100 H SER 15 H SER 15 3.305 -18.032 -1.871 101 HA SER 15 HA SER 15 5.934 -19.372 -2.296 102 HB2 SER 15 2HB SER 15 5.008 -17.827 -4.159 103 HB3 SER 15 3HB SER 15 5.256 -16.485 -3.043 104 HG SER 15 HG SER 15 7.177 -16.505 -3.901 105 H ASN 16 H ASN 16 7.774 -17.659 -1.547 106 HA ASN 16 HA ASN 16 7.606 -17.443 1.289 107 HB2 ASN 16 2HB ASN 16 9.623 -16.046 -0.531 108 HB3 ASN 16 3HB ASN 16 9.805 -16.338 1.193 109 HD21 ASN 16 1HD2 ASN 16 10.006 -17.681 -1.977 110 HD22 ASN 16 2HD2 ASN 16 10.741 -19.179 -1.521 111 H VAL 17 H VAL 17 6.527 -15.392 -1.180 112 HA VAL 17 HA VAL 17 6.620 -12.813 -0.168 113 HB VAL 17 HB VAL 17 4.358 -14.081 -1.797 114 HG11 VAL 17 1HG1 VAL 17 5.158 -11.159 -1.522 115 HG12 VAL 17 2HG1 VAL 17 3.689 -11.905 -0.893 116 HG13 VAL 17 3HG1 VAL 17 3.938 -11.779 -2.635 117 HG21 VAL 17 3HG2 VAL 17 6.546 -14.446 -2.874 118 HG22 VAL 17 1HG2 VAL 17 6.895 -12.716 -2.792 119 HG23 VAL 17 2HG2 VAL 17 5.574 -13.308 -3.806 120 HA PRO 18 HA PRO 18 4.029 -13.343 3.629 121 HB2 PRO 18 2HB PRO 18 4.130 -10.316 3.442 122 HB3 PRO 18 3HB PRO 18 4.432 -11.369 4.846 123 HG2 PRO 18 2HG PRO 18 6.477 -10.254 3.600 124 HG3 PRO 18 3HG PRO 18 6.585 -11.957 4.115 125 HD2 PRO 18 2HD PRO 18 6.062 -10.851 1.351 126 HD3 PRO 18 3HD PRO 18 7.096 -12.211 1.848 127 H ALA 19 H ALA 19 1.824 -13.245 4.021 128 HA ALA 19 HA ALA 19 -0.069 -12.991 2.060 129 HB1 ALA 19 3HB ALA 19 -0.495 -12.509 5.032 130 HB2 ALA 19 1HB ALA 19 -0.458 -14.085 4.242 131 HB3 ALA 19 2HB ALA 19 -1.746 -12.940 3.862 132 H PHE 20 H PHE 20 0.890 -10.526 4.443 133 HA PHE 20 HA PHE 20 -0.680 -8.394 3.841 134 HB2 PHE 20 2HB PHE 20 0.984 -8.408 5.658 135 HB3 PHE 20 3HB PHE 20 2.303 -8.390 4.493 136 HD1 PHE 20 HD2 PHE 20 -0.496 -6.379 5.894 137 HD2 PHE 20 HD1 PHE 20 3.065 -6.311 3.542 138 HE1 PHE 20 HE2 PHE 20 -0.508 -3.922 5.928 139 HE2 PHE 20 HE1 PHE 20 3.044 -3.857 3.578 140 HZ PHE 20 HZ PHE 20 1.255 -2.660 4.772 141 H LEU 21 H LEU 21 2.327 -9.315 2.115 142 HA LEU 21 HA LEU 21 2.302 -6.893 0.519 143 HB2 LEU 21 2HB LEU 21 4.186 -9.274 0.585 144 HB3 LEU 21 3HB LEU 21 4.398 -7.914 -0.506 145 HG LEU 21 HG LEU 21 4.423 -7.682 2.533 146 HD11 LEU 21 1HD1 LEU 21 6.331 -8.979 1.724 147 HD12 LEU 21 2HD1 LEU 21 6.841 -7.412 2.334 148 HD13 LEU 21 3HD1 LEU 21 6.755 -7.692 0.592 149 HD21 LEU 21 3HD2 LEU 21 3.709 -5.604 1.432 150 HD22 LEU 21 1HD2 LEU 21 5.152 -5.630 0.410 151 HD23 LEU 21 2HD2 LEU 21 5.303 -5.424 2.157 152 H THR 22 H THR 22 1.617 -10.350 -0.017 153 HA THR 22 HA THR 22 1.377 -10.153 -2.843 154 HB THR 22 HB THR 22 1.757 -12.321 -1.666 155 HG1 THR 22 HG1 THR 22 0.668 -12.073 -3.835 156 HG21 THR 22 3HG2 THR 22 -1.169 -12.196 -0.896 157 HG22 THR 22 1HG2 THR 22 0.192 -12.044 0.218 158 HG23 THR 22 2HG2 THR 22 -0.076 -13.560 -0.644 159 H LYS 23 H LYS 23 -0.958 -9.777 -0.185 160 HA LYS 23 HA LYS 23 -3.253 -9.281 -1.800 161 HB2 LYS 23 2HB LYS 23 -2.561 -8.426 1.043 162 HB3 LYS 23 3HB LYS 23 -4.116 -8.079 0.301 163 HG2 LYS 23 2HG LYS 23 -3.167 -10.938 0.416 164 HG3 LYS 23 3HG LYS 23 -3.786 -10.180 1.878 165 HD2 LYS 23 2HD LYS 23 -5.630 -11.319 0.921 166 HD3 LYS 23 3HD LYS 23 -5.895 -9.615 0.566 167 HE2 LYS 23 2HE LYS 23 -6.477 -10.961 -1.369 168 HE3 LYS 23 3HE LYS 23 -5.046 -10.003 -1.745 169 HZ1 LYS 23 3HZ LYS 23 -4.836 -12.269 -2.539 170 HZ2 LYS 23 1HZ LYS 23 -5.061 -12.874 -0.977 171 HZ3 LYS 23 2HZ LYS 23 -3.684 -11.966 -1.340 172 H LEU 24 H LEU 24 -0.768 -7.174 -0.356 173 HA LEU 24 HA LEU 24 -1.756 -4.677 -1.112 174 HB2 LEU 24 2HB LEU 24 0.041 -5.028 0.559 175 HB3 LEU 24 3HB LEU 24 1.131 -5.554 -0.713 176 HG LEU 24 HG LEU 24 1.030 -3.241 -1.704 177 HD11 LEU 24 1HD1 LEU 24 -0.538 -2.517 0.789 178 HD12 LEU 24 2HD1 LEU 24 -1.147 -2.521 -0.870 179 HD13 LEU 24 3HD1 LEU 24 0.113 -1.384 -0.401 180 HD21 LEU 24 3HD2 LEU 24 1.962 -3.354 1.186 181 HD22 LEU 24 1HD2 LEU 24 2.472 -2.175 -0.028 182 HD23 LEU 24 2HD2 LEU 24 2.881 -3.876 -0.230 183 H TRP 25 H TRP 25 0.443 -6.868 -2.879 184 HA TRP 25 HA TRP 25 1.134 -5.383 -5.088 185 HB2 TRP 25 2HB TRP 25 2.030 -7.619 -4.509 186 HB3 TRP 25 3HB TRP 25 0.499 -8.368 -4.922 187 HD1 TRP 25 HD1 TRP 25 3.610 -6.785 -6.562 188 HE1 TRP 25 HE1 TRP 25 3.701 -7.542 -9.010 189 HE3 TRP 25 HE3 TRP 25 -0.942 -9.118 -6.902 190 HZ2 TRP 25 HZ2 TRP 25 2.089 -8.927 -10.848 191 HZ3 TRP 25 HZ3 TRP 25 -1.593 -10.129 -9.050 192 HH2 TRP 25 HH2 TRP 25 -0.105 -10.033 -10.988 193 H THR 26 H THR 26 -1.599 -7.671 -4.862 194 HA THR 26 HA THR 26 -2.846 -7.098 -7.302 195 HB THR 26 HB THR 26 -4.182 -8.069 -4.725 196 HG1 THR 26 HG1 THR 26 -2.768 -9.509 -6.739 197 HG21 THR 26 3HG2 THR 26 -5.720 -9.281 -6.228 198 HG22 THR 26 1HG2 THR 26 -4.930 -8.561 -7.629 199 HG23 THR 26 2HG2 THR 26 -5.818 -7.538 -6.495 200 H LEU 27 H LEU 27 -3.129 -5.598 -4.107 201 HA LEU 27 HA LEU 27 -5.522 -4.172 -4.401 202 HB2 LEU 27 2HB LEU 27 -4.597 -4.800 -2.258 203 HB3 LEU 27 3HB LEU 27 -3.103 -3.938 -2.581 204 HG LEU 27 HG LEU 27 -4.255 -1.784 -2.352 205 HD11 LEU 27 1HD1 LEU 27 -6.547 -1.579 -1.791 206 HD12 LEU 27 2HD1 LEU 27 -6.762 -3.321 -1.686 207 HD13 LEU 27 3HD1 LEU 27 -6.451 -2.558 -3.247 208 HD21 LEU 27 3HD2 LEU 27 -4.741 -1.886 0.059 209 HD22 LEU 27 1HD2 LEU 27 -3.303 -2.831 -0.332 210 HD23 LEU 27 2HD2 LEU 27 -4.836 -3.647 -0.016 211 H VAL 28 H VAL 28 -2.142 -3.014 -4.552 212 HA VAL 28 HA VAL 28 -2.557 -0.342 -5.177 213 HB VAL 28 HB VAL 28 -0.238 -2.204 -5.883 214 HG11 VAL 28 1HG1 VAL 28 -0.259 0.832 -5.984 215 HG12 VAL 28 2HG1 VAL 28 -0.130 -0.255 -7.368 216 HG13 VAL 28 3HG1 VAL 28 1.167 -0.193 -6.174 217 HG21 VAL 28 3HG2 VAL 28 0.859 -1.235 -3.906 218 HG22 VAL 28 1HG2 VAL 28 -0.692 -1.949 -3.462 219 HG23 VAL 28 2HG2 VAL 28 -0.538 -0.198 -3.613 220 H SER 29 H SER 29 -2.590 -3.148 -7.290 221 HA SER 29 HA SER 29 -2.736 -1.541 -9.753 222 HB2 SER 29 2HB SER 29 -1.141 -3.437 -9.653 223 HB3 SER 29 3HB SER 29 -2.469 -4.553 -9.341 224 HG SER 29 HG SER 29 -3.325 -3.842 -11.422 225 H ASP 30 H ASP 30 -4.960 -2.582 -7.530 226 HA ASP 30 HA ASP 30 -6.829 -4.041 -9.169 227 HB2 ASP 30 2HB ASP 30 -6.587 -4.520 -6.771 228 HB3 ASP 30 3HB ASP 30 -7.082 -2.886 -6.362 229 HA PRO 31 HA PRO 31 -8.826 -0.389 -10.930 230 HB2 PRO 31 2HB PRO 31 -11.097 -1.582 -11.943 231 HB3 PRO 31 3HB PRO 31 -9.493 -1.777 -12.680 232 HG2 PRO 31 2HG PRO 31 -10.894 -3.625 -10.758 233 HG3 PRO 31 3HG PRO 31 -10.099 -4.012 -12.305 234 HD2 PRO 31 2HD PRO 31 -8.812 -4.411 -9.993 235 HD3 PRO 31 3HD PRO 31 -7.936 -3.772 -11.405 236 H ASP 32 H ASP 32 -10.428 -2.420 -8.537 237 HA ASP 32 HA ASP 32 -12.668 -0.652 -8.114 238 HB2 ASP 32 2HB ASP 32 -11.635 -2.951 -6.388 239 HB3 ASP 32 3HB ASP 32 -13.162 -2.121 -6.165 240 H THR 33 H THR 33 -9.429 -0.953 -6.813 241 HA THR 33 HA THR 33 -10.067 0.928 -4.606 242 HB THR 33 HB THR 33 -8.137 -0.082 -3.398 243 HG1 THR 33 HG1 THR 33 -6.866 -0.913 -4.993 244 HG21 THR 33 3HG2 THR 33 -10.376 -1.014 -2.939 245 HG22 THR 33 1HG2 THR 33 -9.158 -2.293 -2.887 246 HG23 THR 33 2HG2 THR 33 -10.203 -2.126 -4.299 247 H ASP 34 H ASP 34 -8.477 0.912 -7.588 248 HA ASP 34 HA ASP 34 -5.957 2.017 -6.922 249 HB2 ASP 34 2HB ASP 34 -5.531 2.342 -9.231 250 HB3 ASP 34 3HB ASP 34 -6.544 0.908 -9.151 251 H ALA 35 H ALA 35 -9.058 3.542 -7.198 252 HA ALA 35 HA ALA 35 -8.283 6.243 -7.534 253 HB1 ALA 35 3HB ALA 35 -10.652 5.122 -5.997 254 HB2 ALA 35 1HB ALA 35 -10.617 5.508 -7.716 255 HB3 ALA 35 2HB ALA 35 -10.474 6.801 -6.523 256 H LEU 36 H LEU 36 -8.234 4.124 -4.738 257 HA LEU 36 HA LEU 36 -7.534 6.341 -2.906 258 HB2 LEU 36 2HB LEU 36 -8.599 3.566 -2.219 259 HB3 LEU 36 3HB LEU 36 -8.253 4.852 -1.072 260 HG LEU 36 HG LEU 36 -10.492 4.767 -3.124 261 HD11 LEU 36 1HD1 LEU 36 -11.968 4.957 -1.188 262 HD12 LEU 36 2HD1 LEU 36 -10.574 4.984 -0.105 263 HD13 LEU 36 3HD1 LEU 36 -10.929 3.538 -1.054 264 HD21 LEU 36 3HD2 LEU 36 -11.172 7.012 -2.310 265 HD22 LEU 36 1HD2 LEU 36 -9.640 7.023 -3.181 266 HD23 LEU 36 2HD2 LEU 36 -9.651 7.122 -1.422 267 H ILE 37 H ILE 37 -6.242 3.584 -4.510 268 HA ILE 37 HA ILE 37 -3.658 4.114 -3.349 269 HB ILE 37 HB ILE 37 -4.456 2.526 -1.720 270 HG12 ILE 37 2HG1 ILE 37 -2.502 1.095 -3.578 271 HG13 ILE 37 3HG1 ILE 37 -2.070 2.348 -2.419 272 HG21 ILE 37 1HG2 ILE 37 -5.205 0.247 -2.225 273 HG22 ILE 37 2HG2 ILE 37 -5.057 0.563 -3.954 274 HG23 ILE 37 3HG2 ILE 37 -6.250 1.443 -2.998 275 HD11 ILE 37 3HD1 ILE 37 -2.824 0.883 -0.582 276 HD12 ILE 37 1HD1 ILE 37 -1.521 0.183 -1.541 277 HD13 ILE 37 2HD1 ILE 37 -3.173 -0.384 -1.764 278 H CYS 38 H CYS 38 -2.442 4.382 -5.127 279 HA CYS 38 HA CYS 38 -2.798 2.578 -7.458 280 HB2 CYS 38 2HB CYS 38 -2.653 4.584 -8.955 281 HB3 CYS 38 3HB CYS 38 -4.095 4.582 -7.950 282 HG CYS 38 HG CYS 38 -3.716 7.057 -7.407 283 H TRP 39 H TRP 39 -1.010 2.223 -8.681 284 HA TRP 39 HA TRP 39 1.591 2.555 -7.520 285 HB2 TRP 39 2HB TRP 39 2.309 1.503 -9.826 286 HB3 TRP 39 3HB TRP 39 1.389 0.530 -8.689 287 HD1 TRP 39 HD1 TRP 39 -1.009 -0.276 -9.407 288 HE1 TRP 39 HE1 TRP 39 -2.313 -0.236 -11.608 289 HE3 TRP 39 HE3 TRP 39 1.912 2.993 -12.059 290 HZ2 TRP 39 HZ2 TRP 39 -2.145 0.976 -14.132 291 HZ3 TRP 39 HZ3 TRP 39 1.271 3.536 -14.369 292 HH2 TRP 39 HH2 TRP 39 -0.721 2.546 -15.388 293 H SER 40 H SER 40 3.346 3.748 -8.294 294 HA SER 40 HA SER 40 2.850 6.219 -9.624 295 HB2 SER 40 2HB SER 40 5.400 6.384 -9.497 296 HB3 SER 40 3HB SER 40 4.592 6.124 -7.953 297 HG SER 40 HG SER 40 5.899 4.492 -7.773 298 HA PRO 41 HA PRO 41 3.451 5.211 -14.070 299 HB2 PRO 41 2HB PRO 41 5.555 7.394 -13.867 300 HB3 PRO 41 3HB PRO 41 4.312 7.138 -15.117 301 HG2 PRO 41 2HG PRO 41 3.919 8.986 -13.265 302 HG3 PRO 41 3HG PRO 41 2.573 7.931 -13.758 303 HD2 PRO 41 2HD PRO 41 4.203 7.860 -11.236 304 HD3 PRO 41 3HD PRO 41 2.485 7.471 -11.487 305 H SER 42 H SER 42 6.275 5.629 -11.959 306 HA SER 42 HA SER 42 8.058 3.895 -13.389 307 HB2 SER 42 2HB SER 42 8.956 5.546 -11.826 308 HB3 SER 42 3HB SER 42 8.029 4.859 -10.493 309 HG SER 42 HG SER 42 10.019 4.008 -10.277 310 H GLY 43 H GLY 43 6.273 3.498 -10.315 311 HA2 GLY 43 2HA GLY 43 4.827 1.685 -9.797 312 HA3 GLY 43 3HA GLY 43 5.706 0.661 -10.920 313 H ASN 44 H ASN 44 7.527 2.645 -8.739 314 HA ASN 44 HA ASN 44 8.373 0.265 -7.186 315 HB2 ASN 44 2HB ASN 44 10.421 1.522 -6.643 316 HB3 ASN 44 3HB ASN 44 10.204 1.439 -8.385 317 HD21 ASN 44 1HD2 ASN 44 11.753 3.336 -6.781 318 HD22 ASN 44 2HD2 ASN 44 11.151 4.906 -7.175 319 H SER 45 H SER 45 6.072 2.411 -6.891 320 HA SER 45 HA SER 45 6.050 2.629 -4.037 321 HB2 SER 45 2HB SER 45 5.938 5.189 -4.106 322 HB3 SER 45 3HB SER 45 7.534 4.512 -4.433 323 HG SER 45 HG SER 45 6.280 6.203 -5.915 324 H PHE 46 H PHE 46 4.012 3.739 -3.320 325 HA PHE 46 HA PHE 46 1.933 4.015 -5.382 326 HB2 PHE 46 2HB PHE 46 0.341 2.586 -4.163 327 HB3 PHE 46 3HB PHE 46 1.749 1.674 -4.676 328 HD1 PHE 46 HD2 PHE 46 3.398 0.853 -2.986 329 HD2 PHE 46 HD1 PHE 46 -0.187 2.847 -1.784 330 HE1 PHE 46 HE2 PHE 46 3.652 -0.044 -0.709 331 HE2 PHE 46 HE1 PHE 46 0.078 1.945 0.487 332 HZ PHE 46 HZ PHE 46 1.993 0.499 1.026 333 H HIS 47 H HIS 47 0.250 5.346 -4.847 334 HA HIS 47 HA HIS 47 0.622 7.153 -2.548 335 HB2 HIS 47 2HB HIS 47 -0.882 7.431 -5.189 336 HB3 HIS 47 3HB HIS 47 -1.120 8.562 -3.861 337 HD1 HIS 47 HD1 HIS 47 0.572 10.385 -3.569 338 HD2 HIS 47 HD2 HIS 47 1.745 7.568 -6.384 339 HE1 HIS 47 HE1 HIS 47 2.563 11.379 -4.728 340 HE2 HIS 47 HE2 HIS 47 3.378 9.554 -6.254 341 H VAL 48 H VAL 48 -1.154 7.598 -1.173 342 HA VAL 48 HA VAL 48 -3.507 5.805 -1.348 343 HB VAL 48 HB VAL 48 -2.074 6.598 1.247 344 HG11 VAL 48 1HG1 VAL 48 -3.695 5.073 2.345 345 HG12 VAL 48 2HG1 VAL 48 -4.514 4.830 0.800 346 HG13 VAL 48 3HG1 VAL 48 -4.498 6.428 1.552 347 HG21 VAL 48 3HG2 VAL 48 -0.775 4.900 0.033 348 HG22 VAL 48 1HG2 VAL 48 -2.203 3.870 -0.111 349 HG23 VAL 48 2HG2 VAL 48 -1.501 4.195 1.478 350 H PHE 49 H PHE 49 -5.237 6.992 -1.627 351 HA PHE 49 HA PHE 49 -5.371 9.815 -0.714 352 HB2 PHE 49 2HB PHE 49 -6.670 8.440 -3.105 353 HB3 PHE 49 3HB PHE 49 -7.068 10.073 -2.588 354 HD1 PHE 49 HD2 PHE 49 -5.131 11.799 -2.510 355 HD2 PHE 49 HD1 PHE 49 -4.873 8.088 -4.632 356 HE1 PHE 49 HE2 PHE 49 -3.298 12.700 -3.876 357 HE2 PHE 49 HE1 PHE 49 -3.036 9.005 -5.996 358 HZ PHE 49 HZ PHE 49 -2.249 11.307 -5.618 359 H ASP 50 H ASP 50 -7.288 10.562 0.182 360 HA ASP 50 HA ASP 50 -9.041 10.532 1.636 361 HB2 ASP 50 2HB ASP 50 -10.090 8.330 -0.210 362 HB3 ASP 50 3HB ASP 50 -11.052 9.175 0.986 363 H GLN 51 H GLN 51 -7.132 9.479 2.892 364 HA GLN 51 HA GLN 51 -6.851 6.762 3.311 365 HB2 GLN 51 2HB GLN 51 -6.122 8.984 5.249 366 HB3 GLN 51 3HB GLN 51 -5.442 7.355 5.226 367 HG2 GLN 51 2HG GLN 51 -4.569 7.771 2.932 368 HG3 GLN 51 3HG GLN 51 -5.175 9.423 3.015 369 HE21 GLN 51 1HE2 GLN 51 -2.534 8.721 2.512 370 HE22 GLN 51 2HE2 GLN 51 -1.566 9.334 3.803 371 H GLY 52 H GLY 52 -9.148 8.874 4.874 372 HA2 GLY 52 2HA GLY 52 -9.924 7.139 7.024 373 HA3 GLY 52 3HA GLY 52 -10.864 8.467 6.362 374 H GLN 53 H GLN 53 -11.156 7.666 3.716 375 HA GLN 53 HA GLN 53 -13.328 5.791 3.858 376 HB2 GLN 53 2HB GLN 53 -13.264 7.730 2.281 377 HB3 GLN 53 3HB GLN 53 -11.908 7.000 1.433 378 HG2 GLN 53 2HG GLN 53 -13.956 6.667 0.167 379 HG3 GLN 53 3HG GLN 53 -13.365 5.110 0.749 380 HE21 GLN 53 1HE2 GLN 53 -15.492 4.262 0.433 381 HE22 GLN 53 2HE2 GLN 53 -16.766 4.597 1.542 382 H PHE 54 H PHE 54 -10.089 5.753 2.388 383 HA PHE 54 HA PHE 54 -9.789 3.250 1.382 384 HB2 PHE 54 2HB PHE 54 -8.076 4.954 1.169 385 HB3 PHE 54 3HB PHE 54 -7.850 5.043 2.907 386 HD1 PHE 54 HD2 PHE 54 -7.145 3.033 -0.128 387 HD2 PHE 54 HD1 PHE 54 -6.371 3.490 4.058 388 HE1 PHE 54 HE2 PHE 54 -5.269 1.455 -0.285 389 HE2 PHE 54 HE1 PHE 54 -4.489 1.913 3.877 390 HZ PHE 54 HZ PHE 54 -3.943 0.895 1.702 391 H ALA 55 H ALA 55 -9.107 4.180 4.772 392 HA ALA 55 HA ALA 55 -8.542 1.596 5.714 393 HB1 ALA 55 3HB ALA 55 -8.825 2.560 7.963 394 HB2 ALA 55 1HB ALA 55 -9.614 3.981 7.263 395 HB3 ALA 55 2HB ALA 55 -7.917 3.650 6.916 396 H LYS 56 H LYS 56 -11.587 3.271 5.270 397 HA LYS 56 HA LYS 56 -13.215 1.583 6.904 398 HB2 LYS 56 2HB LYS 56 -13.978 3.793 6.690 399 HB3 LYS 56 3HB LYS 56 -13.701 3.856 4.963 400 HG2 LYS 56 2HG LYS 56 -15.850 2.000 5.935 401 HG3 LYS 56 3HG LYS 56 -16.174 3.731 6.039 402 HD2 LYS 56 2HD LYS 56 -15.860 3.997 3.641 403 HD3 LYS 56 3HD LYS 56 -15.285 2.337 3.479 404 HE2 LYS 56 2HE LYS 56 -18.096 3.140 4.292 405 HE3 LYS 56 3HE LYS 56 -17.611 2.620 2.682 406 HZ1 LYS 56 3HZ LYS 56 -16.971 0.469 3.620 407 HZ2 LYS 56 1HZ LYS 56 -18.605 0.804 3.910 408 HZ3 LYS 56 2HZ LYS 56 -17.473 0.972 5.152 409 H GLU 57 H GLU 57 -12.563 1.634 3.380 410 HA GLU 57 HA GLU 57 -14.414 -0.671 3.007 411 HB2 GLU 57 2HB GLU 57 -14.545 0.004 0.602 412 HB3 GLU 57 3HB GLU 57 -15.158 1.226 1.706 413 HG2 GLU 57 2HG GLU 57 -13.371 2.681 1.322 414 HG3 GLU 57 3HG GLU 57 -12.315 1.409 0.744 415 H VAL 58 H VAL 58 -11.128 0.406 2.284 416 HA VAL 58 HA VAL 58 -10.621 -1.675 0.312 417 HB VAL 58 HB VAL 58 -8.877 0.530 1.523 418 HG11 VAL 58 1HG1 VAL 58 -8.162 -1.417 -0.692 419 HG12 VAL 58 2HG1 VAL 58 -7.397 -1.289 0.896 420 HG13 VAL 58 3HG1 VAL 58 -7.236 0.026 -0.267 421 HG21 VAL 58 3HG2 VAL 58 -10.184 0.268 -1.219 422 HG22 VAL 58 1HG2 VAL 58 -9.101 1.578 -0.728 423 HG23 VAL 58 2HG2 VAL 58 -10.660 1.374 0.069 424 H LEU 59 H LEU 59 -9.473 -0.853 3.593 425 HA LEU 59 HA LEU 59 -7.616 -2.988 3.764 426 HB2 LEU 59 2HB LEU 59 -8.800 -1.229 5.930 427 HB3 LEU 59 3HB LEU 59 -7.555 -2.427 6.242 428 HG LEU 59 HG LEU 59 -7.297 0.063 4.509 429 HD11 LEU 59 1HD1 LEU 59 -5.866 -0.751 7.054 430 HD12 LEU 59 2HD1 LEU 59 -7.122 0.482 6.900 431 HD13 LEU 59 3HD1 LEU 59 -5.566 0.712 6.111 432 HD21 LEU 59 3HD2 LEU 59 -6.098 -1.732 3.375 433 HD22 LEU 59 1HD2 LEU 59 -5.253 -2.157 4.868 434 HD23 LEU 59 2HD2 LEU 59 -4.956 -0.600 4.090 435 HA PRO 60 HA PRO 60 -11.103 -5.549 6.084 436 HB2 PRO 60 2HB PRO 60 -13.716 -4.904 5.382 437 HB3 PRO 60 3HB PRO 60 -12.913 -4.315 6.850 438 HG2 PRO 60 2HG PRO 60 -13.245 -2.922 4.213 439 HG3 PRO 60 3HG PRO 60 -13.502 -2.295 5.856 440 HD2 PRO 60 2HD PRO 60 -11.250 -1.739 4.517 441 HD3 PRO 60 3HD PRO 60 -11.206 -2.056 6.267 442 H LYS 61 H LYS 61 -11.185 -4.339 2.783 443 HA LYS 61 HA LYS 61 -12.458 -6.624 1.596 444 HB2 LYS 61 2HB LYS 61 -12.385 -4.471 0.390 445 HB3 LYS 61 3HB LYS 61 -10.627 -4.539 0.319 446 HG2 LYS 61 2HG LYS 61 -10.764 -6.566 -1.105 447 HG3 LYS 61 3HG LYS 61 -12.526 -6.488 -1.045 448 HD2 LYS 61 2HD LYS 61 -12.451 -4.282 -2.219 449 HD3 LYS 61 3HD LYS 61 -10.687 -4.386 -2.273 450 HE2 LYS 61 2HE LYS 61 -10.836 -6.423 -3.667 451 HE3 LYS 61 3HE LYS 61 -12.599 -6.350 -3.592 452 HZ1 LYS 61 3HZ LYS 61 -11.821 -5.448 -5.659 453 HZ2 LYS 61 1HZ LYS 61 -10.810 -4.338 -4.873 454 HZ3 LYS 61 2HZ LYS 61 -12.493 -4.200 -4.742 455 H TYR 62 H TYR 62 -9.029 -5.580 1.685 456 HA TYR 62 HA TYR 62 -8.165 -8.202 0.685 457 HB2 TYR 62 2HB TYR 62 -6.756 -5.543 1.105 458 HB3 TYR 62 3HB TYR 62 -5.810 -7.017 0.876 459 HD1 TYR 62 HD2 TYR 62 -8.444 -4.902 -0.731 460 HD2 TYR 62 HD1 TYR 62 -5.519 -7.955 -1.283 461 HE1 TYR 62 HE2 TYR 62 -8.798 -4.793 -3.155 462 HE2 TYR 62 HE1 TYR 62 -5.874 -7.870 -3.702 463 HH TYR 62 HH TYR 62 -7.518 -5.376 -5.232 464 H PHE 63 H PHE 63 -7.902 -6.351 3.667 465 HA PHE 63 HA PHE 63 -6.543 -8.629 4.996 466 HB2 PHE 63 2HB PHE 63 -6.717 -5.717 5.948 467 HB3 PHE 63 3HB PHE 63 -5.698 -6.994 6.612 468 HD1 PHE 63 HD2 PHE 63 -3.870 -8.005 5.055 469 HD2 PHE 63 HD1 PHE 63 -5.867 -4.315 4.208 470 HE1 PHE 63 HE2 PHE 63 -2.090 -7.391 3.474 471 HE2 PHE 63 HE1 PHE 63 -4.078 -3.718 2.621 472 HZ PHE 63 HZ PHE 63 -2.189 -5.257 2.255 473 H LYS 64 H LYS 64 -7.245 -8.317 7.600 474 HA LYS 64 HA LYS 64 -10.212 -8.506 7.580 475 HB2 LYS 64 2HB LYS 64 -10.015 -10.386 9.220 476 HB3 LYS 64 3HB LYS 64 -9.397 -10.773 7.623 477 HG2 LYS 64 2HG LYS 64 -7.092 -10.519 8.414 478 HG3 LYS 64 3HG LYS 64 -7.675 -10.044 10.014 479 HD2 LYS 64 2HD LYS 64 -8.767 -12.292 10.243 480 HD3 LYS 64 3HD LYS 64 -8.079 -12.757 8.682 481 HE2 LYS 64 2HE LYS 64 -6.744 -13.630 10.559 482 HE3 LYS 64 3HE LYS 64 -5.807 -12.491 9.593 483 HZ1 LYS 64 3HZ LYS 64 -6.224 -10.789 11.249 484 HZ2 LYS 64 1HZ LYS 64 -5.505 -12.141 11.968 485 HZ3 LYS 64 2HZ LYS 64 -7.161 -11.860 12.166 486 H HIS 65 H HIS 65 -9.341 -6.195 8.037 487 HA HIS 65 HA HIS 65 -10.197 -5.439 10.623 488 HB2 HIS 65 2HB HIS 65 -8.161 -4.349 11.496 489 HB3 HIS 65 3HB HIS 65 -7.822 -6.060 11.243 490 HD1 HIS 65 HD1 HIS 65 -6.850 -2.650 10.040 491 HD2 HIS 65 HD2 HIS 65 -6.014 -6.613 9.128 492 HE1 HIS 65 HE1 HIS 65 -4.829 -2.593 8.555 493 HE2 HIS 65 HE2 HIS 65 -4.229 -5.005 8.235 494 H ASN 66 H ASN 66 -9.853 -2.890 10.783 495 HA ASN 66 HA ASN 66 -10.091 -1.762 8.042 496 HB2 ASN 66 2HB ASN 66 -11.641 -0.852 10.511 497 HB3 ASN 66 3HB ASN 66 -11.726 -0.126 8.906 498 HD21 ASN 66 1HD2 ASN 66 -13.872 -0.497 8.529 499 HD22 ASN 66 2HD2 ASN 66 -14.578 -2.066 8.383 500 H ASN 67 H ASN 67 -8.567 -1.492 11.149 501 HA ASN 67 HA ASN 67 -7.987 1.268 11.212 502 HB2 ASN 67 2HB ASN 67 -7.881 -0.074 13.246 503 HB3 ASN 67 3HB ASN 67 -6.591 -1.068 12.581 504 HD21 ASN 67 1HD2 ASN 67 -7.364 2.208 13.662 505 HD22 ASN 67 2HD2 ASN 67 -5.748 2.646 14.082 506 H MET 68 H MET 68 -6.510 2.485 10.222 507 HA MET 68 HA MET 68 -4.766 1.280 8.207 508 HB2 MET 68 2HB MET 68 -6.172 3.217 7.544 509 HB3 MET 68 3HB MET 68 -5.354 4.231 8.725 510 HG2 MET 68 2HG MET 68 -3.229 3.854 7.479 511 HG3 MET 68 3HG MET 68 -4.138 2.937 6.272 512 HE1 MET 68 3HE MET 68 -3.257 6.211 4.407 513 HE2 MET 68 1HE MET 68 -3.156 4.451 4.428 514 HE3 MET 68 2HE MET 68 -2.265 5.401 5.619 515 H ALA 69 H ALA 69 -4.458 2.953 11.296 516 HA ALA 69 HA ALA 69 -1.780 3.786 11.172 517 HB1 ALA 69 3HB ALA 69 -3.336 2.839 13.601 518 HB2 ALA 69 1HB ALA 69 -3.320 4.480 12.952 519 HB3 ALA 69 2HB ALA 69 -1.848 3.790 13.639 520 H SER 70 H SER 70 -3.161 0.644 11.964 521 HA SER 70 HA SER 70 -0.814 -0.770 12.648 522 HB2 SER 70 2HB SER 70 -3.077 -1.611 13.151 523 HB3 SER 70 3HB SER 70 -3.429 -1.774 11.431 524 HG SER 70 HG SER 70 -1.781 -3.354 11.317 525 H PHE 71 H PHE 71 -2.494 -0.223 9.567 526 HA PHE 71 HA PHE 71 -1.052 -2.035 7.929 527 HB2 PHE 71 2HB PHE 71 -3.249 -1.268 7.261 528 HB3 PHE 71 3HB PHE 71 -2.772 0.419 7.353 529 HD1 PHE 71 HD1 PHE 71 -2.086 -2.736 5.424 530 HD2 PHE 71 HD2 PHE 71 -2.133 1.544 5.374 531 HE1 PHE 71 HE1 PHE 71 -1.671 -2.752 3.000 532 HE2 PHE 71 HE2 PHE 71 -1.713 1.514 2.948 533 HZ PHE 71 HZ PHE 71 -1.484 -0.632 1.761 534 H VAL 72 H VAL 72 -0.790 1.485 8.397 535 HA VAL 72 HA VAL 72 1.467 2.021 6.844 536 HB VAL 72 HB VAL 72 0.413 3.441 9.342 537 HG11 VAL 72 1HG1 VAL 72 2.770 4.062 9.010 538 HG12 VAL 72 2HG1 VAL 72 1.713 5.419 8.631 539 HG13 VAL 72 3HG1 VAL 72 2.444 4.482 7.326 540 HG21 VAL 72 3HG2 VAL 72 0.008 4.054 6.385 541 HG22 VAL 72 1HG2 VAL 72 -0.619 5.013 7.730 542 HG23 VAL 72 2HG2 VAL 72 -1.194 3.365 7.477 543 H ARG 73 H ARG 73 1.201 1.124 10.321 544 HA ARG 73 HA ARG 73 3.943 1.371 10.954 545 HB2 ARG 73 2HB ARG 73 2.093 1.245 12.649 546 HB3 ARG 73 3HB ARG 73 1.919 -0.473 12.305 547 HG2 ARG 73 2HG ARG 73 4.119 -0.948 13.186 548 HG3 ARG 73 3HG ARG 73 4.500 0.772 13.313 549 HD2 ARG 73 2HD ARG 73 3.993 -0.093 15.516 550 HD3 ARG 73 3HD ARG 73 2.706 1.011 15.028 551 HE ARG 73 HE ARG 73 2.069 -1.686 14.375 552 HH11 ARG 73 1HH1 ARG 73 2.162 0.511 17.135 553 HH12 ARG 73 2HH1 ARG 73 0.937 -0.355 18.009 554 HH21 ARG 73 1HH2 ARG 73 0.459 -2.804 15.543 555 HH22 ARG 73 2HH2 ARG 73 -0.020 -2.225 17.109 556 H GLN 74 H GLN 74 2.093 -1.332 9.579 557 HA GLN 74 HA GLN 74 4.119 -3.303 9.634 558 HB2 GLN 74 2HB GLN 74 1.924 -2.924 7.549 559 HB3 GLN 74 3HB GLN 74 2.920 -4.364 7.713 560 HG2 GLN 74 2HG GLN 74 0.866 -3.338 9.686 561 HG3 GLN 74 3HG GLN 74 0.747 -4.773 8.678 562 HE21 GLN 74 1HE2 GLN 74 2.155 -3.396 11.537 563 HE22 GLN 74 2HE2 GLN 74 2.746 -4.876 12.202 564 H LEU 75 H LEU 75 3.229 -0.908 7.123 565 HA LEU 75 HA LEU 75 5.131 -1.607 5.194 566 HB2 LEU 75 2HB LEU 75 3.673 1.001 5.755 567 HB3 LEU 75 3HB LEU 75 4.692 0.782 4.340 568 HG LEU 75 HG LEU 75 2.321 -1.035 4.925 569 HD11 LEU 75 1HD1 LEU 75 2.303 1.427 3.161 570 HD12 LEU 75 2HD1 LEU 75 1.490 1.258 4.718 571 HD13 LEU 75 3HD1 LEU 75 0.992 0.260 3.356 572 HD21 LEU 75 3HD2 LEU 75 3.960 -1.978 3.398 573 HD22 LEU 75 1HD2 LEU 75 3.909 -0.528 2.387 574 HD23 LEU 75 2HD2 LEU 75 2.486 -1.570 2.524 575 H ASN 76 H ASN 76 5.332 0.718 7.875 576 HA ASN 76 HA ASN 76 7.851 1.826 7.404 577 HB2 ASN 76 2HB ASN 76 6.664 1.166 10.135 578 HB3 ASN 76 3HB ASN 76 7.937 2.342 9.815 579 HD21 ASN 76 1HD2 ASN 76 5.387 2.721 11.097 580 HD22 ASN 76 2HD2 ASN 76 4.553 3.927 10.185 581 H MET 77 H MET 77 6.983 -1.137 9.187 582 HA MET 77 HA MET 77 9.634 -1.964 9.828 583 HB2 MET 77 2HB MET 77 7.104 -3.642 9.538 584 HB3 MET 77 3HB MET 77 8.614 -4.226 10.219 585 HG2 MET 77 2HG MET 77 8.389 -2.463 12.005 586 HG3 MET 77 3HG MET 77 6.780 -2.121 11.372 587 HE1 MET 77 3HE MET 77 5.174 -5.807 11.887 588 HE2 MET 77 1HE MET 77 6.184 -5.390 10.505 589 HE3 MET 77 2HE MET 77 4.942 -4.265 11.065 590 H TYR 78 H TYR 78 7.556 -2.391 7.015 591 HA TYR 78 HA TYR 78 9.254 -4.360 5.719 592 HB2 TYR 78 2HB TYR 78 6.665 -2.985 4.934 593 HB3 TYR 78 3HB TYR 78 7.590 -3.875 3.739 594 HD1 TYR 78 HD1 TYR 78 8.024 -6.401 4.173 595 HD2 TYR 78 HD2 TYR 78 5.110 -4.164 6.347 596 HE1 TYR 78 HE1 TYR 78 6.853 -8.485 4.766 597 HE2 TYR 78 HE2 TYR 78 3.950 -6.243 6.945 598 HH TYR 78 HH TYR 78 3.717 -8.512 6.188 599 H GLY 79 H GLY 79 9.748 -1.201 6.287 600 HA2 GLY 79 2HA GLY 79 11.663 -0.068 5.629 601 HA3 GLY 79 3HA GLY 79 11.823 -1.142 4.251 602 H PHE 80 H PHE 80 8.685 0.125 4.381 603 HA PHE 80 HA PHE 80 9.095 1.723 2.008 604 HB2 PHE 80 2HB PHE 80 6.619 1.182 3.714 605 HB3 PHE 80 3HB PHE 80 6.599 2.224 2.298 606 HD1 PHE 80 HD1 PHE 80 7.416 -1.295 3.334 607 HD2 PHE 80 HD2 PHE 80 6.119 1.297 0.189 608 HE1 PHE 80 HE1 PHE 80 6.913 -3.249 1.923 609 HE2 PHE 80 HE2 PHE 80 5.625 -0.662 -1.209 610 HZ PHE 80 HZ PHE 80 6.020 -2.933 -0.347 611 H ARG 81 H ARG 81 8.918 3.978 1.881 612 HA ARG 81 HA ARG 81 9.532 5.382 4.411 613 HB2 ARG 81 2HB ARG 81 11.216 5.385 2.565 614 HB3 ARG 81 3HB ARG 81 10.065 6.219 1.531 615 HG2 ARG 81 2HG ARG 81 10.104 8.177 3.045 616 HG3 ARG 81 3HG ARG 81 11.223 7.326 4.118 617 HD2 ARG 81 2HD ARG 81 11.737 8.278 1.283 618 HD3 ARG 81 3HD ARG 81 12.543 8.812 2.764 619 HE ARG 81 HE ARG 81 13.104 6.173 2.724 620 HH11 ARG 81 1HH1 ARG 81 13.545 8.670 0.272 621 HH12 ARG 81 2HH1 ARG 81 14.895 7.860 -0.461 622 HH21 ARG 81 1HH2 ARG 81 14.802 5.097 1.711 623 HH22 ARG 81 2HH2 ARG 81 15.605 5.834 0.360 624 H LYS 82 H LYS 82 8.151 6.845 5.212 625 HA LYS 82 HA LYS 82 5.597 7.429 4.098 626 HB2 LYS 82 2HB LYS 82 6.074 7.223 6.542 627 HB3 LYS 82 3HB LYS 82 7.155 8.604 6.452 628 HG2 LYS 82 2HG LYS 82 5.152 9.399 7.436 629 HG3 LYS 82 3HG LYS 82 5.147 10.008 5.779 630 HD2 LYS 82 2HD LYS 82 3.629 8.139 5.134 631 HD3 LYS 82 3HD LYS 82 3.598 7.601 6.813 632 HE2 LYS 82 2HE LYS 82 2.623 10.299 5.811 633 HE3 LYS 82 3HE LYS 82 1.597 8.925 6.210 634 HZ1 LYS 82 3HZ LYS 82 2.376 9.050 8.496 635 HZ2 LYS 82 1HZ LYS 82 1.668 10.508 8.016 636 HZ3 LYS 82 2HZ LYS 82 3.352 10.380 8.117 637 H VAL 83 H VAL 83 5.467 8.796 2.312 638 HA VAL 83 HA VAL 83 6.714 11.483 2.539 639 HB VAL 83 HB VAL 83 6.118 10.041 -0.113 640 HG11 VAL 83 1HG1 VAL 83 5.943 12.489 -0.249 641 HG12 VAL 83 2HG1 VAL 83 7.347 11.918 -1.148 642 HG13 VAL 83 3HG1 VAL 83 7.562 12.668 0.435 643 HG21 VAL 83 3HG2 VAL 83 8.556 9.805 -0.434 644 HG22 VAL 83 1HG2 VAL 83 8.011 8.918 0.993 645 HG23 VAL 83 2HG2 VAL 83 8.845 10.461 1.180 646 H VAL 84 H VAL 84 5.218 13.140 2.355 647 HA VAL 84 HA VAL 84 2.426 12.477 1.561 648 HB VAL 84 HB VAL 84 3.393 14.519 3.634 649 HG11 VAL 84 1HG1 VAL 84 0.529 13.874 2.829 650 HG12 VAL 84 2HG1 VAL 84 1.401 15.358 2.443 651 HG13 VAL 84 3HG1 VAL 84 1.027 14.970 4.122 652 HG21 VAL 84 3HG2 VAL 84 3.533 12.207 4.460 653 HG22 VAL 84 1HG2 VAL 84 1.842 11.928 4.029 654 HG23 VAL 84 2HG2 VAL 84 2.253 13.086 5.296 655 H HIS 85 H HIS 85 1.429 13.850 0.092 656 HA HIS 85 HA HIS 85 3.088 16.029 -1.060 657 HB2 HIS 85 2HB HIS 85 1.199 14.117 -2.505 658 HB3 HIS 85 3HB HIS 85 2.004 15.498 -3.255 659 HD1 HIS 85 HD1 HIS 85 2.570 11.982 -2.229 660 HD2 HIS 85 HD2 HIS 85 4.873 15.210 -3.480 661 HE1 HIS 85 HE1 HIS 85 4.819 11.027 -2.811 662 HE2 HIS 85 HE2 HIS 85 6.233 13.009 -3.423 663 H ILE 86 H ILE 86 -0.299 14.956 -0.515 664 HA ILE 86 HA ILE 86 -1.463 17.514 -0.961 665 HB ILE 86 HB ILE 86 -2.473 15.041 0.491 666 HG12 ILE 86 2HG1 ILE 86 -2.396 14.918 -1.978 667 HG13 ILE 86 3HG1 ILE 86 -4.060 14.892 -1.412 668 HG21 ILE 86 1HG2 ILE 86 -4.023 17.639 0.180 669 HG22 ILE 86 2HG2 ILE 86 -3.504 16.895 1.693 670 HG23 ILE 86 3HG2 ILE 86 -4.717 16.098 0.693 671 HD11 ILE 86 3HD1 ILE 86 -4.291 17.262 -2.033 672 HD12 ILE 86 1HD1 ILE 86 -3.835 16.244 -3.399 673 HD13 ILE 86 2HD1 ILE 86 -2.624 17.257 -2.618 674 H GLU 87 H GLU 87 -1.763 19.212 0.364 675 HA GLU 87 HA GLU 87 -0.589 19.175 3.091 676 HB2 GLU 87 2HB GLU 87 -0.789 21.501 1.118 677 HB3 GLU 87 3HB GLU 87 -0.069 21.572 2.726 678 HG2 GLU 87 2HG GLU 87 1.774 20.183 2.070 679 HG3 GLU 87 3HG GLU 87 0.985 19.745 0.553 680 H GLN 88 H GLN 88 -1.945 19.830 4.742 681 HA GLN 88 HA GLN 88 -4.744 20.388 4.015 682 HB2 GLN 88 2HB GLN 88 -3.678 19.594 6.752 683 HB3 GLN 88 3HB GLN 88 -5.361 19.620 6.237 684 HG2 GLN 88 2HG GLN 88 -3.216 17.757 5.186 685 HG3 GLN 88 3HG GLN 88 -4.454 17.341 6.364 686 HE21 GLN 88 1HE2 GLN 88 -5.199 15.680 5.081 687 HE22 GLN 88 2HE2 GLN 88 -6.081 15.912 3.623 688 H GLY 89 H GLY 89 -5.874 22.086 4.749 689 HA2 GLY 89 2HA GLY 89 -5.845 23.987 6.502 690 HA3 GLY 89 3HA GLY 89 -4.350 24.447 5.680 691 H GLY 90 H GLY 90 -5.268 26.429 5.017 692 HA2 GLY 90 2HA GLY 90 -7.466 26.403 3.058 693 HA3 GLY 90 3HA GLY 90 -6.708 27.820 3.775 694 H LEU 91 H LEU 91 -5.737 25.003 1.800 695 HA LEU 91 HA LEU 91 -4.175 26.792 0.010 696 HB2 LEU 91 2HB LEU 91 -3.556 23.932 0.850 697 HB3 LEU 91 3HB LEU 91 -2.667 24.811 -0.381 698 HG LEU 91 HG LEU 91 -2.815 25.592 2.559 699 HD11 LEU 91 1HD1 LEU 91 -0.471 24.907 2.704 700 HD12 LEU 91 2HD1 LEU 91 -0.510 24.342 1.032 701 HD13 LEU 91 3HD1 LEU 91 -1.506 23.552 2.257 702 HD21 LEU 91 3HD2 LEU 91 -1.065 27.239 2.021 703 HD22 LEU 91 1HD2 LEU 91 -2.561 27.559 1.146 704 HD23 LEU 91 2HD2 LEU 91 -1.192 26.824 0.310 705 H VAL 92 H VAL 92 -4.099 26.160 -2.212 706 HA VAL 92 HA VAL 92 -6.732 25.339 -3.125 707 HB VAL 92 HB VAL 92 -5.819 27.431 -3.983 708 HG11 VAL 92 1HG1 VAL 92 -3.428 26.979 -3.883 709 HG12 VAL 92 2HG1 VAL 92 -3.875 27.569 -5.485 710 HG13 VAL 92 3HG1 VAL 92 -3.557 25.849 -5.231 711 HG21 VAL 92 3HG2 VAL 92 -7.364 26.199 -5.442 712 HG22 VAL 92 1HG2 VAL 92 -6.009 25.379 -6.219 713 HG23 VAL 92 2HG2 VAL 92 -6.207 27.125 -6.399 714 H LYS 93 H LYS 93 -6.329 23.161 -2.405 715 HA LYS 93 HA LYS 93 -5.868 21.353 -4.565 716 HB2 LYS 93 2HB LYS 93 -4.004 20.058 -3.601 717 HB3 LYS 93 3HB LYS 93 -3.497 21.720 -3.853 718 HG2 LYS 93 2HG LYS 93 -4.040 22.071 -1.340 719 HG3 LYS 93 3HG LYS 93 -4.078 20.311 -1.240 720 HD2 LYS 93 2HD LYS 93 -1.713 22.027 -2.094 721 HD3 LYS 93 3HD LYS 93 -1.866 21.129 -0.586 722 HE2 LYS 93 2HE LYS 93 -1.791 19.009 -1.812 723 HE3 LYS 93 3HE LYS 93 -1.736 19.874 -3.350 724 HZ1 LYS 93 3HZ LYS 93 0.407 20.721 -2.851 725 HZ2 LYS 93 1HZ LYS 93 0.468 19.069 -2.493 726 HZ3 LYS 93 2HZ LYS 93 0.342 20.206 -1.245 727 HA PRO 94 HA PRO 94 -8.942 19.123 -2.229 728 HB2 PRO 94 2HB PRO 94 -8.261 16.444 -2.523 729 HB3 PRO 94 3HB PRO 94 -9.024 17.416 -3.795 730 HG2 PRO 94 2HG PRO 94 -6.121 16.774 -3.417 731 HG3 PRO 94 3HG PRO 94 -7.096 16.726 -4.904 732 HD2 PRO 94 2HD PRO 94 -5.481 18.814 -4.412 733 HD3 PRO 94 3HD PRO 94 -7.079 19.070 -5.151 734 H GLU 95 H GLU 95 -9.408 17.844 -0.361 735 HA GLU 95 HA GLU 95 -7.377 18.225 1.739 736 HB2 GLU 95 2HB GLU 95 -9.304 18.138 3.304 737 HB3 GLU 95 3HB GLU 95 -9.501 19.373 2.066 738 HG2 GLU 95 2HG GLU 95 -10.969 17.740 0.792 739 HG3 GLU 95 3HG GLU 95 -10.882 16.680 2.196 740 H ARG 96 H ARG 96 -8.251 15.758 -0.185 741 HA ARG 96 HA ARG 96 -8.374 13.549 1.631 742 HB2 ARG 96 2HB ARG 96 -7.862 12.156 -0.430 743 HB3 ARG 96 3HB ARG 96 -9.279 13.188 -0.562 744 HG2 ARG 96 2HG ARG 96 -8.065 14.779 -1.931 745 HG3 ARG 96 3HG ARG 96 -6.562 13.880 -1.692 746 HD2 ARG 96 2HD ARG 96 -7.423 13.391 -3.877 747 HD3 ARG 96 3HD ARG 96 -7.591 11.947 -2.888 748 HE ARG 96 HE ARG 96 -9.998 12.621 -2.623 749 HH11 ARG 96 1HH1 ARG 96 -8.177 13.564 -5.511 750 HH12 ARG 96 2HH1 ARG 96 -9.591 13.677 -6.513 751 HH21 ARG 96 1HH2 ARG 96 -11.836 12.787 -3.954 752 HH22 ARG 96 2HH2 ARG 96 -11.673 13.234 -5.622 753 H ASP 97 H ASP 97 -6.701 13.629 3.082 754 HA ASP 97 HA ASP 97 -4.040 13.971 2.964 755 HB2 ASP 97 2HB ASP 97 -5.390 11.560 4.261 756 HB3 ASP 97 3HB ASP 97 -3.730 12.049 4.582 757 H ASP 98 H ASP 98 -2.389 13.281 1.703 758 HA ASP 98 HA ASP 98 -2.621 10.701 0.264 759 HB2 ASP 98 2HB ASP 98 -2.520 12.490 -1.370 760 HB3 ASP 98 3HB ASP 98 -1.147 13.237 -0.561 761 H THR 99 H THR 99 -1.152 9.189 0.735 762 HA THR 99 HA THR 99 1.541 10.054 1.574 763 HB THR 99 HB THR 99 0.029 7.669 2.741 764 HG1 THR 99 HG1 THR 99 0.539 10.241 3.597 765 HG21 THR 99 3HG2 THR 99 2.376 7.038 2.321 766 HG22 THR 99 1HG2 THR 99 2.112 7.263 4.051 767 HG23 THR 99 2HG2 THR 99 2.936 8.512 3.116 768 H GLU 100 H GLU 100 3.025 9.292 0.254 769 HA GLU 100 HA GLU 100 2.512 6.946 -1.433 770 HB2 GLU 100 2HB GLU 100 3.082 8.892 -2.754 771 HB3 GLU 100 3HB GLU 100 4.506 9.223 -1.767 772 HG2 GLU 100 2HG GLU 100 5.643 7.273 -2.598 773 HG3 GLU 100 3HG GLU 100 4.177 6.657 -3.364 774 H PHE 101 H PHE 101 3.294 5.156 -0.553 775 HA PHE 101 HA PHE 101 5.689 5.170 1.157 776 HB2 PHE 101 2HB PHE 101 3.707 2.960 0.439 777 HB3 PHE 101 3HB PHE 101 5.104 2.730 1.477 778 HD1 PHE 101 HD1 PHE 101 5.202 3.896 3.706 779 HD2 PHE 101 HD2 PHE 101 1.656 3.870 1.306 780 HE1 PHE 101 HE1 PHE 101 3.854 4.481 5.677 781 HE2 PHE 101 HE2 PHE 101 0.319 4.461 3.284 782 HZ PHE 101 HZ PHE 101 1.419 4.770 5.465 783 H GLN 102 H GLN 102 7.608 4.772 0.243 784 HA GLN 102 HA GLN 102 7.717 3.572 -2.471 785 HB2 GLN 102 2HB GLN 102 9.570 5.058 -2.990 786 HB3 GLN 102 3HB GLN 102 8.202 6.010 -2.435 787 HG2 GLN 102 2HG GLN 102 9.347 6.089 -0.151 788 HG3 GLN 102 3HG GLN 102 10.755 5.387 -0.948 789 HE21 GLN 102 1HE2 GLN 102 12.099 7.149 -0.670 790 HE22 GLN 102 2HE2 GLN 102 11.850 8.680 -1.429 791 H HIS 103 H HIS 103 9.151 1.953 -2.845 792 HA HIS 103 HA HIS 103 11.258 1.254 -0.979 793 HB2 HIS 103 2HB HIS 103 9.103 0.263 0.021 794 HB3 HIS 103 3HB HIS 103 9.012 -0.785 -1.389 795 HD1 HIS 103 HD1 HIS 103 10.411 -2.916 -1.305 796 HD2 HIS 103 HD2 HIS 103 11.417 -0.203 1.668 797 HE1 HIS 103 HE1 HIS 103 12.089 -4.080 0.168 798 HE2 HIS 103 HE2 HIS 103 12.420 -2.529 2.100 799 HA PRO 104 HA PRO 104 12.900 0.231 -5.021 800 HB2 PRO 104 2HB PRO 104 15.140 -1.226 -4.256 801 HB3 PRO 104 3HB PRO 104 15.029 0.542 -4.143 802 HG2 PRO 104 2HG PRO 104 14.547 -1.505 -1.987 803 HG3 PRO 104 3HG PRO 104 15.513 -0.008 -1.916 804 HD2 PRO 104 2HD PRO 104 13.037 -0.075 -0.910 805 HD3 PRO 104 3HD PRO 104 13.605 1.368 -1.788 806 H CYS 105 H CYS 105 12.549 -2.392 -2.660 807 HA CYS 105 HA CYS 105 12.720 -4.508 -4.654 808 HB2 CYS 105 2HB CYS 105 11.921 -4.933 -1.758 809 HB3 CYS 105 3HB CYS 105 12.787 -6.027 -2.835 810 HG CYS 105 HG CYS 105 15.211 -5.118 -2.408 811 H PHE 106 H PHE 106 10.323 -2.410 -3.735 812 HA PHE 106 HA PHE 106 8.094 -4.300 -4.144 813 HB2 PHE 106 2HB PHE 106 7.806 -2.794 -2.202 814 HB3 PHE 106 3HB PHE 106 8.081 -1.383 -3.217 815 HD1 PHE 106 HD1 PHE 106 5.714 -4.176 -2.532 816 HD2 PHE 106 HD2 PHE 106 6.260 -0.415 -4.501 817 HE1 PHE 106 HE1 PHE 106 3.303 -4.064 -3.001 818 HE2 PHE 106 HE2 PHE 106 3.846 -0.313 -4.966 819 HZ PHE 106 HZ PHE 106 2.370 -2.138 -4.219 820 H LEU 107 H LEU 107 8.014 -4.594 -6.348 821 HA LEU 107 HA LEU 107 7.512 -2.171 -7.972 822 HB2 LEU 107 2HB LEU 107 8.366 -4.927 -8.890 823 HB3 LEU 107 3HB LEU 107 8.115 -3.542 -9.933 824 HG LEU 107 HG LEU 107 10.288 -3.780 -7.809 825 HD11 LEU 107 1HD1 LEU 107 10.544 -3.948 -10.828 826 HD12 LEU 107 2HD1 LEU 107 10.695 -5.292 -9.693 827 HD13 LEU 107 3HD1 LEU 107 11.869 -3.979 -9.660 828 HD21 LEU 107 3HD2 LEU 107 9.808 -1.586 -9.850 829 HD22 LEU 107 1HD2 LEU 107 11.209 -1.714 -8.782 830 HD23 LEU 107 2HD2 LEU 107 9.605 -1.459 -8.100 831 H ARG 108 H ARG 108 5.681 -2.112 -9.210 832 HA ARG 108 HA ARG 108 3.364 -3.006 -7.923 833 HB2 ARG 108 2HB ARG 108 2.143 -1.873 -9.735 834 HB3 ARG 108 3HB ARG 108 3.518 -0.900 -9.216 835 HG2 ARG 108 2HG ARG 108 4.820 -1.666 -11.171 836 HG3 ARG 108 3HG ARG 108 3.463 -2.665 -11.688 837 HD2 ARG 108 2HD ARG 108 2.100 -0.521 -11.845 838 HD3 ARG 108 3HD ARG 108 3.616 0.359 -11.611 839 HE ARG 108 HE ARG 108 3.355 -1.599 -13.798 840 HH11 ARG 108 1HH1 ARG 108 3.860 1.767 -12.848 841 HH12 ARG 108 2HH1 ARG 108 4.298 2.266 -14.451 842 HH21 ARG 108 1HH2 ARG 108 3.862 -0.908 -15.879 843 HH22 ARG 108 2HH2 ARG 108 4.296 0.747 -16.166 844 H GLY 109 H GLY 109 5.098 -4.352 -10.653 845 HA2 GLY 109 2HA GLY 109 3.133 -6.566 -10.894 846 HA3 GLY 109 3HA GLY 109 3.835 -5.780 -12.307 847 H GLN 110 H GLN 110 5.476 -6.529 -9.276 848 HA GLN 110 HA GLN 110 6.884 -8.822 -10.483 849 HB2 GLN 110 2HB GLN 110 8.167 -6.514 -10.712 850 HB3 GLN 110 3HB GLN 110 8.484 -6.711 -8.996 851 HG2 GLN 110 2HG GLN 110 10.391 -7.529 -10.123 852 HG3 GLN 110 3HG GLN 110 9.526 -8.959 -9.557 853 HE21 GLN 110 1HE2 GLN 110 10.404 -7.051 -12.349 854 HE22 GLN 110 2HE2 GLN 110 9.995 -8.233 -13.537 855 H GLU 111 H GLU 111 5.319 -9.796 -9.044 856 HA GLU 111 HA GLU 111 5.221 -9.366 -6.256 857 HB2 GLU 111 2HB GLU 111 3.909 -11.477 -6.180 858 HB3 GLU 111 3HB GLU 111 3.341 -10.359 -7.416 859 HG2 GLU 111 2HG GLU 111 4.535 -11.684 -9.148 860 HG3 GLU 111 3HG GLU 111 5.070 -12.805 -7.900 861 H GLN 112 H GLN 112 7.440 -11.234 -8.167 862 HA GLN 112 HA GLN 112 8.231 -13.124 -6.179 863 HB2 GLN 112 2HB GLN 112 10.035 -13.710 -7.695 864 HB3 GLN 112 3HB GLN 112 8.549 -13.490 -8.611 865 HG2 GLN 112 2HG GLN 112 9.335 -11.221 -9.294 866 HG3 GLN 112 3HG GLN 112 10.844 -11.508 -8.427 867 HE21 GLN 112 1HE2 GLN 112 10.498 -10.952 -11.249 868 HE22 GLN 112 2HE2 GLN 112 11.153 -12.290 -12.112 869 H LEU 113 H LEU 113 8.997 -9.774 -6.595 870 HA LEU 113 HA LEU 113 11.463 -9.956 -5.008 871 HB2 LEU 113 2HB LEU 113 10.162 -7.587 -6.395 872 HB3 LEU 113 3HB LEU 113 11.618 -7.467 -5.418 873 HG LEU 113 HG LEU 113 11.304 -8.957 -8.053 874 HD11 LEU 113 1HD1 LEU 113 13.021 -7.407 -8.872 875 HD12 LEU 113 2HD1 LEU 113 13.056 -6.594 -7.304 876 HD13 LEU 113 3HD1 LEU 113 11.595 -6.547 -8.295 877 HD21 LEU 113 3HD2 LEU 113 13.705 -8.966 -6.194 878 HD22 LEU 113 1HD2 LEU 113 13.694 -9.583 -7.850 879 HD23 LEU 113 2HD2 LEU 113 12.688 -10.345 -6.622 880 H LEU 114 H LEU 114 8.178 -9.670 -4.388 881 HA LEU 114 HA LEU 114 8.226 -7.916 -2.133 882 HB2 LEU 114 2HB LEU 114 6.249 -10.140 -2.700 883 HB3 LEU 114 3HB LEU 114 6.005 -8.787 -1.607 884 HG LEU 114 HG LEU 114 6.230 -8.610 -4.637 885 HD11 LEU 114 1HD1 LEU 114 3.856 -8.021 -4.569 886 HD12 LEU 114 2HD1 LEU 114 3.828 -8.278 -2.823 887 HD13 LEU 114 3HD1 LEU 114 4.145 -9.631 -3.913 888 HD21 LEU 114 3HD2 LEU 114 7.152 -6.592 -3.616 889 HD22 LEU 114 1HD2 LEU 114 5.693 -6.390 -2.640 890 HD23 LEU 114 2HD2 LEU 114 5.613 -6.247 -4.399 891 H GLU 115 H GLU 115 8.921 -11.314 -2.549 892 HA GLU 115 HA GLU 115 8.959 -11.966 0.266 893 HB2 GLU 115 2HB GLU 115 10.037 -14.086 -0.456 894 HB3 GLU 115 3HB GLU 115 8.524 -13.741 -1.275 895 HG2 GLU 115 2HG GLU 115 9.807 -12.971 -3.267 896 HG3 GLU 115 3HG GLU 115 11.300 -13.410 -2.435 897 H ASN 116 H ASN 116 10.985 -10.101 -1.568 898 HA ASN 116 HA ASN 116 13.388 -10.609 0.064 899 HB2 ASN 116 2HB ASN 116 12.993 -8.878 -2.427 900 HB3 ASN 116 3HB ASN 116 14.521 -9.115 -1.584 901 HD21 ASN 116 1HD2 ASN 116 12.050 -10.729 -3.494 902 HD22 ASN 116 2HD2 ASN 116 13.042 -12.027 -4.041 903 H ILE 117 H ILE 117 10.609 -8.738 0.013 904 HA ILE 117 HA ILE 117 11.681 -6.384 1.384 905 HB ILE 117 HB ILE 117 8.762 -7.193 0.935 906 HG12 ILE 117 2HG1 ILE 117 10.455 -5.256 -0.696 907 HG13 ILE 117 3HG1 ILE 117 9.896 -6.837 -1.228 908 HG21 ILE 117 1HG2 ILE 117 8.208 -4.848 1.459 909 HG22 ILE 117 2HG2 ILE 117 9.910 -4.501 1.755 910 HG23 ILE 117 3HG2 ILE 117 9.044 -5.616 2.811 911 HD11 ILE 117 3HD1 ILE 117 8.531 -5.147 -2.198 912 HD12 ILE 117 1HD1 ILE 117 8.181 -4.436 -0.624 913 HD13 ILE 117 2HD1 ILE 117 7.566 -6.044 -1.028 914 H LYS 118 H LYS 118 12.041 -6.496 3.562 915 HA LYS 118 HA LYS 118 10.863 -8.743 5.109 916 HB2 LYS 118 2HB LYS 118 13.382 -7.142 5.740 917 HB3 LYS 118 3HB LYS 118 12.820 -8.574 6.586 918 HG2 LYS 118 2HG LYS 118 13.738 -8.565 3.697 919 HG3 LYS 118 3HG LYS 118 14.790 -8.896 5.067 920 HD2 LYS 118 2HD LYS 118 14.253 -11.044 4.347 921 HD3 LYS 118 3HD LYS 118 13.076 -10.800 5.632 922 HE2 LYS 118 2HE LYS 118 11.315 -10.416 4.038 923 HE3 LYS 118 3HE LYS 118 12.465 -10.314 2.703 924 HZ1 LYS 118 3HZ LYS 118 11.343 -12.448 2.738 925 HZ2 LYS 118 1HZ LYS 118 11.907 -12.758 4.305 926 HZ3 LYS 118 2HZ LYS 118 12.997 -12.643 3.019 927 H ARG 119 H ARG 119 9.749 -8.281 6.973 928 HA ARG 119 HA ARG 119 9.108 -5.507 7.620 929 HB2 ARG 119 2HB ARG 119 7.523 -6.533 9.300 930 HB3 ARG 119 3HB ARG 119 7.209 -6.922 7.618 931 HG2 ARG 119 2HG ARG 119 8.232 -9.147 7.926 932 HG3 ARG 119 3HG ARG 119 8.553 -8.767 9.622 933 HD2 ARG 119 2HD ARG 119 6.124 -8.513 10.009 934 HD3 ARG 119 3HD ARG 119 5.813 -8.906 8.316 935 HE ARG 119 HE ARG 119 7.181 -10.847 10.069 936 HH11 ARG 119 1HH1 ARG 119 4.412 -10.019 8.048 937 HH12 ARG 119 2HH1 ARG 119 3.758 -11.627 8.075 938 HH21 ARG 119 1HH2 ARG 119 6.275 -12.948 10.133 939 HH22 ARG 119 2HH2 ARG 119 4.814 -13.286 9.257 940 H LYS 120 H LYS 120 11.762 -6.250 8.044 941 HA LYS 120 HA LYS 120 12.086 -5.590 10.884 942 HB2 LYS 120 2HB LYS 120 13.805 -7.536 9.263 943 HB3 LYS 120 3HB LYS 120 14.221 -6.926 10.865 944 HG2 LYS 120 2HG LYS 120 12.189 -7.999 11.801 945 HG3 LYS 120 3HG LYS 120 11.793 -8.633 10.203 946 HD2 LYS 120 2HD LYS 120 14.360 -9.268 11.696 947 HD3 LYS 120 3HD LYS 120 12.920 -10.287 11.735 948 HE2 LYS 120 2HE LYS 120 13.084 -10.603 9.283 949 HE3 LYS 120 3HE LYS 120 14.533 -9.593 9.253 950 HZ1 LYS 120 3HZ LYS 120 14.317 -12.069 10.875 951 HZ2 LYS 120 1HZ LYS 120 15.716 -11.188 10.527 952 HZ3 LYS 120 2HZ LYS 120 14.931 -12.055 9.306 953 H VAL 121 H VAL 121 13.673 -4.027 11.209 954 HA VAL 121 HA VAL 121 15.049 -2.836 8.957 955 HB VAL 121 HB VAL 121 12.879 -1.873 8.536 956 HG11 VAL 121 1HG1 VAL 121 12.750 -0.928 11.414 957 HG12 VAL 121 2HG1 VAL 121 11.810 -2.243 10.707 958 HG13 VAL 121 3HG1 VAL 121 11.563 -0.588 10.148 959 HG21 VAL 121 3HG2 VAL 121 14.620 0.222 9.897 960 HG22 VAL 121 1HG2 VAL 121 13.350 0.545 8.712 961 HG23 VAL 121 2HG2 VAL 121 14.792 -0.353 8.237 962 H THR 122 H THR 122 16.851 -3.197 10.088 963 HA THR 122 HA THR 122 17.452 -2.448 12.731 964 HB THR 122 HB THR 122 18.880 -4.062 11.708 965 HG1 THR 122 HG1 THR 122 19.915 -2.391 13.069 966 HG21 THR 122 3HG2 THR 122 18.589 -3.450 9.325 967 HG22 THR 122 1HG2 THR 122 20.298 -3.652 9.730 968 HG23 THR 122 2HG2 THR 122 19.615 -2.036 9.562 969 H SER 123 H SER 123 16.743 -0.401 13.180 970 HA SER 123 HA SER 123 17.366 1.922 11.627 971 HB2 SER 123 2HB SER 123 16.266 1.633 14.452 972 HB3 SER 123 3HB SER 123 16.354 3.155 13.556 973 HG SER 123 HG SER 123 14.895 0.825 12.822 974 H VAL 124 H VAL 124 19.564 2.006 11.385 975 HA VAL 124 HA VAL 124 21.517 1.919 13.423 976 HB VAL 124 HB VAL 124 22.202 1.470 11.172 977 HG11 VAL 124 1HG1 VAL 124 20.531 2.741 9.930 978 HG12 VAL 124 2HG1 VAL 124 22.152 3.052 9.311 979 HG13 VAL 124 3HG1 VAL 124 21.352 4.253 10.330 980 HG21 VAL 124 3HG2 VAL 124 23.948 2.513 12.540 981 HG22 VAL 124 1HG2 VAL 124 23.460 4.116 11.986 982 HG23 VAL 124 2HG2 VAL 124 24.149 2.959 10.845 983 H SER 125 H SER 125 21.697 3.304 15.053 984 HA SER 125 HA SER 125 21.022 6.178 14.758 985 HB2 SER 125 2HB SER 125 20.043 4.340 16.997 986 HB3 SER 125 3HB SER 125 19.720 6.069 16.872 987 HG SER 125 HG SER 125 18.937 4.122 14.955 Start of MODEL 12 1 H1 MET 1 1H MET 1 23.436 -40.673 -7.416 2 H2 MET 1 2H MET 1 24.245 -40.504 -5.947 3 H3 MET 1 3H MET 1 25.019 -41.235 -7.257 4 HA MET 1 HA MET 1 24.130 -38.423 -7.145 5 HB2 MET 1 2HB MET 1 26.544 -37.858 -7.012 6 HB3 MET 1 3HB MET 1 26.030 -38.805 -5.624 7 HG2 MET 1 2HG MET 1 27.087 -40.800 -6.521 8 HG3 MET 1 3HG MET 1 27.476 -39.969 -8.026 9 HE1 MET 1 3HE MET 1 28.528 -37.110 -7.016 10 HE2 MET 1 1HE MET 1 29.362 -38.073 -8.237 11 HE3 MET 1 2HE MET 1 30.254 -37.432 -6.856 12 H GLY 2 H GLY 2 24.380 -37.277 -9.046 13 HA2 GLY 2 2HA GLY 2 25.234 -36.675 -11.097 14 HA3 GLY 2 3HA GLY 2 26.156 -38.162 -11.156 15 H HIS 3 H HIS 3 23.545 -39.729 -10.756 16 HA HIS 3 HA HIS 3 23.209 -40.249 -13.557 17 HB2 HIS 3 2HB HIS 3 21.728 -41.477 -11.195 18 HB3 HIS 3 3HB HIS 3 21.692 -42.078 -12.852 19 HD1 HIS 3 HD1 HIS 3 24.216 -42.748 -13.793 20 HD2 HIS 3 HD2 HIS 3 23.614 -42.691 -9.678 21 HE1 HIS 3 HE1 HIS 3 26.097 -44.104 -12.814 22 HE2 HIS 3 HE2 HIS 3 25.789 -43.923 -10.327 23 H HIS 4 H HIS 4 21.454 -38.362 -11.244 24 HA HIS 4 HA HIS 4 19.031 -38.125 -12.862 25 HB2 HIS 4 2HB HIS 4 18.174 -36.733 -11.065 26 HB3 HIS 4 3HB HIS 4 18.980 -38.111 -10.329 27 HD1 HIS 4 HD1 HIS 4 19.126 -34.406 -10.598 28 HD2 HIS 4 HD2 HIS 4 21.424 -37.456 -8.948 29 HE1 HIS 4 HE1 HIS 4 20.736 -33.272 -9.053 30 HE2 HIS 4 HE2 HIS 4 22.094 -35.129 -8.037 31 H HIS 5 H HIS 5 21.466 -37.355 -14.128 32 HA HIS 5 HA HIS 5 22.314 -34.738 -14.060 33 HB2 HIS 5 2HB HIS 5 23.428 -36.682 -15.182 34 HB3 HIS 5 3HB HIS 5 22.235 -36.599 -16.471 35 HD1 HIS 5 HD1 HIS 5 22.762 -35.038 -18.380 36 HD2 HIS 5 HD2 HIS 5 25.238 -34.428 -15.105 37 HE1 HIS 5 HE1 HIS 5 24.558 -33.475 -19.168 38 HE2 HIS 5 HE2 HIS 5 26.139 -33.280 -17.231 39 H HIS 6 H HIS 6 19.680 -36.144 -15.957 40 HA HIS 6 HA HIS 6 18.486 -33.456 -16.236 41 HB2 HIS 6 2HB HIS 6 18.691 -35.621 -18.356 42 HB3 HIS 6 3HB HIS 6 17.309 -34.532 -18.363 43 HD1 HIS 6 HD1 HIS 6 17.648 -32.649 -19.926 44 HD2 HIS 6 HD2 HIS 6 21.242 -33.838 -18.210 45 HE1 HIS 6 HE1 HIS 6 19.384 -31.080 -20.839 46 HE2 HIS 6 HE2 HIS 6 21.560 -31.901 -19.882 47 H HIS 7 H HIS 7 17.613 -34.026 -14.153 48 HA HIS 7 HA HIS 7 15.026 -35.452 -14.440 49 HB2 HIS 7 2HB HIS 7 16.486 -36.722 -12.889 50 HB3 HIS 7 3HB HIS 7 16.782 -35.272 -11.939 51 HD1 HIS 7 HD1 HIS 7 14.236 -37.947 -12.525 52 HD2 HIS 7 HD2 HIS 7 14.631 -34.522 -10.212 53 HE1 HIS 7 HE1 HIS 7 12.406 -38.073 -10.812 54 HE2 HIS 7 HE2 HIS 7 12.740 -36.058 -9.352 55 H HIS 8 H HIS 8 13.793 -33.681 -14.894 56 HA HIS 8 HA HIS 8 13.912 -31.199 -13.448 57 HB2 HIS 8 2HB HIS 8 13.066 -31.210 -15.756 58 HB3 HIS 8 3HB HIS 8 11.779 -32.333 -15.325 59 HD1 HIS 8 HD1 HIS 8 12.759 -28.714 -15.049 60 HD2 HIS 8 HD2 HIS 8 9.534 -31.142 -14.061 61 HE1 HIS 8 HE1 HIS 8 10.905 -27.144 -14.421 62 HE2 HIS 8 HE2 HIS 8 8.986 -28.635 -13.778 63 H SER 9 H SER 9 13.791 -31.826 -11.259 64 HA SER 9 HA SER 9 11.224 -32.806 -10.241 65 HB2 SER 9 2HB SER 9 13.407 -33.442 -9.140 66 HB3 SER 9 3HB SER 9 13.649 -31.751 -8.702 67 HG SER 9 HG SER 9 12.669 -33.158 -7.060 68 H HIS 10 H HIS 10 12.918 -30.053 -8.782 69 HA HIS 10 HA HIS 10 11.479 -27.993 -10.204 70 HB2 HIS 10 2HB HIS 10 10.852 -28.527 -7.266 71 HB3 HIS 10 3HB HIS 10 10.678 -26.918 -7.946 72 HD1 HIS 10 HD1 HIS 10 8.753 -29.856 -7.298 73 HD2 HIS 10 HD2 HIS 10 8.810 -27.006 -10.323 74 HE1 HIS 10 HE1 HIS 10 6.536 -30.061 -8.454 75 HE2 HIS 10 HE2 HIS 10 6.546 -28.247 -10.199 76 H MET 11 H MET 11 12.606 -26.058 -10.152 77 HA MET 11 HA MET 11 15.184 -25.952 -8.781 78 HB2 MET 11 2HB MET 11 13.784 -23.895 -10.552 79 HB3 MET 11 3HB MET 11 15.404 -23.704 -9.891 80 HG2 MET 11 2HG MET 11 16.052 -25.796 -11.167 81 HG3 MET 11 3HG MET 11 14.477 -25.703 -11.954 82 HE1 MET 11 3HE MET 11 18.056 -24.181 -11.633 83 HE2 MET 11 1HE MET 11 17.098 -22.887 -10.906 84 HE3 MET 11 2HE MET 11 17.895 -22.632 -12.456 85 H ALA 12 H ALA 12 15.724 -24.307 -7.272 86 HA ALA 12 HA ALA 12 13.907 -23.977 -5.163 87 HB1 ALA 12 3HB ALA 12 16.332 -24.069 -4.825 88 HB2 ALA 12 1HB ALA 12 15.672 -22.596 -4.114 89 HB3 ALA 12 2HB ALA 12 16.535 -22.526 -5.655 90 H GLY 13 H GLY 13 12.124 -22.788 -5.315 91 HA2 GLY 13 2HA GLY 13 12.249 -19.920 -5.521 92 HA3 GLY 13 3HA GLY 13 11.418 -20.670 -6.886 93 HA PRO 14 HA PRO 14 8.732 -22.024 -3.131 94 HB2 PRO 14 2HB PRO 14 9.469 -21.624 -0.578 95 HB3 PRO 14 3HB PRO 14 10.311 -22.834 -1.571 96 HG2 PRO 14 2HG PRO 14 11.162 -20.024 -0.922 97 HG3 PRO 14 3HG PRO 14 12.109 -21.529 -0.838 98 HD2 PRO 14 2HD PRO 14 12.196 -19.803 -2.982 99 HD3 PRO 14 3HD PRO 14 12.538 -21.542 -3.116 100 H SER 15 H SER 15 9.709 -18.917 -3.614 101 HA SER 15 HA SER 15 9.151 -16.821 -3.145 102 HB2 SER 15 2HB SER 15 6.680 -16.299 -3.161 103 HB3 SER 15 3HB SER 15 7.210 -17.327 -4.490 104 HG SER 15 HG SER 15 6.348 -19.111 -3.368 105 H ASN 16 H ASN 16 6.619 -18.069 -0.969 106 HA ASN 16 HA ASN 16 6.137 -17.736 1.210 107 HB2 ASN 16 2HB ASN 16 9.176 -17.721 1.439 108 HB3 ASN 16 3HB ASN 16 8.154 -17.504 2.853 109 HD21 ASN 16 1HD2 ASN 16 7.176 -19.706 0.267 110 HD22 ASN 16 2HD2 ASN 16 7.466 -21.153 1.153 111 H VAL 17 H VAL 17 6.011 -15.618 -0.574 112 HA VAL 17 HA VAL 17 6.734 -13.120 0.550 113 HB VAL 17 HB VAL 17 4.257 -13.762 -1.136 114 HG11 VAL 17 1HG1 VAL 17 4.327 -11.368 -1.768 115 HG12 VAL 17 2HG1 VAL 17 5.688 -11.118 -0.673 116 HG13 VAL 17 3HG1 VAL 17 4.112 -11.585 -0.030 117 HG21 VAL 17 3HG2 VAL 17 6.311 -14.520 -2.280 118 HG22 VAL 17 1HG2 VAL 17 7.012 -12.907 -2.117 119 HG23 VAL 17 2HG2 VAL 17 5.580 -13.154 -3.123 120 HA PRO 18 HA PRO 18 3.874 -13.110 4.222 121 HB2 PRO 18 2HB PRO 18 4.391 -10.148 3.719 122 HB3 PRO 18 3HB PRO 18 4.346 -11.034 5.261 123 HG2 PRO 18 2HG PRO 18 6.682 -10.398 4.233 124 HG3 PRO 18 3HG PRO 18 6.447 -12.032 4.906 125 HD2 PRO 18 2HD PRO 18 6.497 -11.167 2.015 126 HD3 PRO 18 3HD PRO 18 7.175 -12.631 2.770 127 H ALA 19 H ALA 19 1.698 -13.102 4.145 128 HA ALA 19 HA ALA 19 0.131 -12.760 1.913 129 HB1 ALA 19 3HB ALA 19 -0.573 -14.031 3.906 130 HB2 ALA 19 1HB ALA 19 -1.820 -12.881 3.419 131 HB3 ALA 19 2HB ALA 19 -0.782 -12.528 4.804 132 H PHE 20 H PHE 20 0.754 -10.417 4.497 133 HA PHE 20 HA PHE 20 -0.835 -8.290 3.820 134 HB2 PHE 20 2HB PHE 20 0.660 -8.374 5.819 135 HB3 PHE 20 3HB PHE 20 2.064 -8.150 4.788 136 HD1 PHE 20 HD2 PHE 20 -0.896 -6.512 6.260 137 HD2 PHE 20 HD1 PHE 20 2.572 -5.930 3.831 138 HE1 PHE 20 HE2 PHE 20 -1.181 -4.073 6.425 139 HE2 PHE 20 HE1 PHE 20 2.279 -3.501 3.998 140 HZ PHE 20 HZ PHE 20 0.403 -2.565 5.289 141 H LEU 21 H LEU 21 2.337 -9.141 2.395 142 HA LEU 21 HA LEU 21 2.546 -6.672 0.902 143 HB2 LEU 21 2HB LEU 21 4.283 -9.176 0.904 144 HB3 LEU 21 3HB LEU 21 4.664 -7.709 0.011 145 HG LEU 21 HG LEU 21 4.428 -7.868 3.043 146 HD11 LEU 21 1HD1 LEU 21 6.871 -7.690 3.078 147 HD12 LEU 21 2HD1 LEU 21 6.921 -7.763 1.314 148 HD13 LEU 21 3HD1 LEU 21 6.347 -9.149 2.243 149 HD21 LEU 21 3HD2 LEU 21 3.879 -5.637 2.211 150 HD22 LEU 21 1HD2 LEU 21 5.369 -5.588 1.261 151 HD23 LEU 21 2HD2 LEU 21 5.439 -5.614 3.026 152 H THR 22 H THR 22 1.963 -10.113 0.106 153 HA THR 22 HA THR 22 1.983 -9.797 -2.696 154 HB THR 22 HB THR 22 2.227 -12.014 -1.577 155 HG1 THR 22 HG1 THR 22 1.318 -13.076 -3.250 156 HG21 THR 22 3HG2 THR 22 -0.778 -11.891 -1.135 157 HG22 THR 22 1HG2 THR 22 0.450 -11.860 0.130 158 HG23 THR 22 2HG2 THR 22 0.251 -13.300 -0.869 159 H LYS 23 H LYS 23 -0.672 -9.652 -0.330 160 HA LYS 23 HA LYS 23 -2.730 -9.161 -2.310 161 HB2 LYS 23 2HB LYS 23 -2.864 -8.798 0.718 162 HB3 LYS 23 3HB LYS 23 -4.243 -8.801 -0.387 163 HG2 LYS 23 2HG LYS 23 -3.553 -11.165 -1.057 164 HG3 LYS 23 3HG LYS 23 -2.393 -11.112 0.270 165 HD2 LYS 23 2HD LYS 23 -4.329 -12.250 1.095 166 HD3 LYS 23 3HD LYS 23 -4.351 -10.648 1.835 167 HE2 LYS 23 2HE LYS 23 -6.034 -9.893 0.247 168 HE3 LYS 23 3HE LYS 23 -5.925 -11.414 -0.647 169 HZ1 LYS 23 3HZ LYS 23 -7.850 -11.402 0.787 170 HZ2 LYS 23 1HZ LYS 23 -6.899 -11.108 2.151 171 HZ3 LYS 23 2HZ LYS 23 -6.760 -12.571 1.318 172 H LEU 24 H LEU 24 -0.640 -7.139 -0.296 173 HA LEU 24 HA LEU 24 -1.784 -4.647 -0.733 174 HB2 LEU 24 2HB LEU 24 0.119 -4.989 0.790 175 HB3 LEU 24 3HB LEU 24 1.167 -5.372 -0.562 176 HG LEU 24 HG LEU 24 0.937 -3.022 -1.386 177 HD11 LEU 24 1HD1 LEU 24 -1.248 -2.446 -0.483 178 HD12 LEU 24 2HD1 LEU 24 -0.034 -1.280 0.034 179 HD13 LEU 24 3HD1 LEU 24 -0.617 -2.504 1.166 180 HD21 LEU 24 3HD2 LEU 24 2.371 -1.981 0.322 181 HD22 LEU 24 1HD2 LEU 24 2.854 -3.647 0.000 182 HD23 LEU 24 2HD2 LEU 24 1.954 -3.258 1.469 183 H TRP 25 H TRP 25 0.694 -6.295 -2.800 184 HA TRP 25 HA TRP 25 0.646 -4.330 -4.826 185 HB2 TRP 25 2HB TRP 25 2.546 -5.793 -4.881 186 HB3 TRP 25 3HB TRP 25 1.537 -7.238 -4.964 187 HD1 TRP 25 HD1 TRP 25 1.794 -8.273 -7.324 188 HE1 TRP 25 HE1 TRP 25 1.757 -7.413 -9.738 189 HE3 TRP 25 HE3 TRP 25 1.646 -3.216 -6.429 190 HZ2 TRP 25 HZ2 TRP 25 1.670 -4.964 -11.095 191 HZ3 TRP 25 HZ3 TRP 25 1.583 -1.689 -8.357 192 HH2 TRP 25 HH2 TRP 25 1.597 -2.548 -10.642 193 H THR 26 H THR 26 -1.323 -7.306 -4.462 194 HA THR 26 HA THR 26 -2.714 -7.258 -6.903 195 HB THR 26 HB THR 26 -3.985 -8.038 -4.231 196 HG1 THR 26 HG1 THR 26 -1.916 -9.246 -5.676 197 HG21 THR 26 3HG2 THR 26 -4.343 -9.161 -7.040 198 HG22 THR 26 1HG2 THR 26 -5.502 -8.140 -6.182 199 HG23 THR 26 2HG2 THR 26 -5.139 -9.761 -5.583 200 H LEU 27 H LEU 27 -3.194 -5.507 -3.917 201 HA LEU 27 HA LEU 27 -5.676 -4.250 -4.449 202 HB2 LEU 27 2HB LEU 27 -4.907 -4.665 -2.197 203 HB3 LEU 27 3HB LEU 27 -3.413 -3.791 -2.473 204 HG LEU 27 HG LEU 27 -4.633 -1.665 -2.536 205 HD11 LEU 27 1HD1 LEU 27 -6.980 -1.495 -2.122 206 HD12 LEU 27 2HD1 LEU 27 -7.137 -3.236 -1.920 207 HD13 LEU 27 3HD1 LEU 27 -6.738 -2.559 -3.499 208 HD21 LEU 27 3HD2 LEU 27 -3.778 -2.490 -0.374 209 HD22 LEU 27 1HD2 LEU 27 -5.311 -3.313 -0.066 210 HD23 LEU 27 2HD2 LEU 27 -5.252 -1.550 -0.159 211 H VAL 28 H VAL 28 -2.289 -3.097 -4.658 212 HA VAL 28 HA VAL 28 -2.773 -0.457 -5.516 213 HB VAL 28 HB VAL 28 -0.352 -2.242 -6.089 214 HG11 VAL 28 1HG1 VAL 28 -0.556 0.786 -6.246 215 HG12 VAL 28 2HG1 VAL 28 -0.361 -0.322 -7.605 216 HG13 VAL 28 3HG1 VAL 28 0.929 -0.158 -6.415 217 HG21 VAL 28 3HG2 VAL 28 0.699 -1.180 -4.136 218 HG22 VAL 28 1HG2 VAL 28 -0.797 -1.990 -3.678 219 HG23 VAL 28 2HG2 VAL 28 -0.765 -0.236 -3.839 220 H SER 29 H SER 29 -2.590 -3.491 -7.284 221 HA SER 29 HA SER 29 -2.642 -2.241 -9.935 222 HB2 SER 29 2HB SER 29 -1.155 -4.211 -9.410 223 HB3 SER 29 3HB SER 29 -2.595 -5.201 -9.187 224 HG SER 29 HG SER 29 -3.127 -4.576 -11.415 225 H ASP 30 H ASP 30 -4.991 -2.895 -7.681 226 HA ASP 30 HA ASP 30 -6.993 -4.101 -9.413 227 HB2 ASP 30 2HB ASP 30 -6.866 -4.607 -6.957 228 HB3 ASP 30 3HB ASP 30 -7.323 -2.945 -6.604 229 HA PRO 31 HA PRO 31 -8.300 -0.038 -10.961 230 HB2 PRO 31 2HB PRO 31 -10.374 -0.823 -12.547 231 HB3 PRO 31 3HB PRO 31 -8.684 -1.183 -12.968 232 HG2 PRO 31 2HG PRO 31 -10.706 -2.964 -11.636 233 HG3 PRO 31 3HG PRO 31 -9.624 -3.328 -13.000 234 HD2 PRO 31 2HD PRO 31 -9.036 -4.075 -10.454 235 HD3 PRO 31 3HD PRO 31 -7.768 -3.628 -11.620 236 H ASP 32 H ASP 32 -10.339 -2.154 -9.072 237 HA ASP 32 HA ASP 32 -12.596 -0.335 -8.904 238 HB2 ASP 32 2HB ASP 32 -13.076 -2.691 -8.928 239 HB3 ASP 32 3HB ASP 32 -11.970 -3.006 -7.601 240 H THR 33 H THR 33 -9.679 -0.900 -7.097 241 HA THR 33 HA THR 33 -10.584 0.930 -4.936 242 HB THR 33 HB THR 33 -8.576 -0.017 -3.663 243 HG1 THR 33 HG1 THR 33 -7.344 -1.023 -5.145 244 HG21 THR 33 3HG2 THR 33 -10.761 -1.986 -4.429 245 HG22 THR 33 1HG2 THR 33 -10.860 -0.779 -3.143 246 HG23 THR 33 2HG2 THR 33 -9.712 -2.113 -3.015 247 H ASP 34 H ASP 34 -9.108 1.250 -7.784 248 HA ASP 34 HA ASP 34 -6.537 2.253 -7.297 249 HB2 ASP 34 2HB ASP 34 -6.420 2.838 -9.548 250 HB3 ASP 34 3HB ASP 34 -7.685 1.622 -9.578 251 H ALA 35 H ALA 35 -9.637 3.808 -6.972 252 HA ALA 35 HA ALA 35 -8.910 6.531 -7.107 253 HB1 ALA 35 3HB ALA 35 -11.240 5.746 -7.285 254 HB2 ALA 35 1HB ALA 35 -11.085 6.973 -6.026 255 HB3 ALA 35 2HB ALA 35 -11.224 5.267 -5.589 256 H LEU 36 H LEU 36 -8.586 4.198 -4.516 257 HA LEU 36 HA LEU 36 -7.706 6.316 -2.632 258 HB2 LEU 36 2HB LEU 36 -8.962 3.623 -1.964 259 HB3 LEU 36 3HB LEU 36 -8.373 4.788 -0.786 260 HG LEU 36 HG LEU 36 -10.718 5.197 -2.683 261 HD11 LEU 36 1HD1 LEU 36 -12.128 5.139 -0.702 262 HD12 LEU 36 2HD1 LEU 36 -10.723 4.856 0.327 263 HD13 LEU 36 3HD1 LEU 36 -11.217 3.637 -0.852 264 HD21 LEU 36 3HD2 LEU 36 -9.633 7.089 -0.576 265 HD22 LEU 36 1HD2 LEU 36 -11.128 7.312 -1.489 266 HD23 LEU 36 2HD2 LEU 36 -9.578 7.322 -2.324 267 H ILE 37 H ILE 37 -6.691 3.570 -4.426 268 HA ILE 37 HA ILE 37 -4.003 4.068 -3.525 269 HB ILE 37 HB ILE 37 -4.634 2.478 -1.818 270 HG12 ILE 37 2HG1 ILE 37 -2.826 1.058 -3.833 271 HG13 ILE 37 3HG1 ILE 37 -2.310 2.360 -2.767 272 HG21 ILE 37 1HG2 ILE 37 -5.386 0.499 -3.994 273 HG22 ILE 37 2HG2 ILE 37 -6.512 1.372 -2.954 274 HG23 ILE 37 3HG2 ILE 37 -5.397 0.201 -2.252 275 HD11 ILE 37 3HD1 ILE 37 -1.615 0.237 -1.881 276 HD12 ILE 37 1HD1 ILE 37 -3.270 -0.373 -1.907 277 HD13 ILE 37 2HD1 ILE 37 -2.827 0.942 -0.814 278 H CYS 38 H CYS 38 -2.837 4.153 -5.291 279 HA CYS 38 HA CYS 38 -3.111 2.214 -7.465 280 HB2 CYS 38 2HB CYS 38 -3.228 4.134 -9.148 281 HB3 CYS 38 3HB CYS 38 -4.693 3.898 -8.198 282 HG CYS 38 HG CYS 38 -4.827 6.269 -7.254 283 H TRP 39 H TRP 39 -1.258 2.191 -8.835 284 HA TRP 39 HA TRP 39 1.225 2.812 -7.521 285 HB2 TRP 39 2HB TRP 39 2.193 1.993 -9.859 286 HB3 TRP 39 3HB TRP 39 1.445 0.836 -8.766 287 HD1 TRP 39 HD1 TRP 39 -0.585 -0.524 -9.677 288 HE1 TRP 39 HE1 TRP 39 -1.887 -0.575 -11.887 289 HE3 TRP 39 HE3 TRP 39 1.355 3.672 -11.888 290 HZ2 TRP 39 HZ2 TRP 39 -2.080 0.933 -14.246 291 HZ3 TRP 39 HZ3 TRP 39 0.552 4.303 -14.128 292 HH2 TRP 39 HH2 TRP 39 -1.136 2.958 -15.285 293 H SER 40 H SER 40 2.858 4.214 -8.237 294 HA SER 40 HA SER 40 2.105 6.715 -9.390 295 HB2 SER 40 2HB SER 40 4.850 5.525 -8.762 296 HB3 SER 40 3HB SER 40 4.536 7.228 -9.107 297 HG SER 40 HG SER 40 4.221 7.379 -7.028 298 HA PRO 41 HA PRO 41 2.397 6.330 -13.814 299 HB2 PRO 41 2HB PRO 41 4.734 8.041 -14.267 300 HB3 PRO 41 3HB PRO 41 3.021 8.399 -14.543 301 HG2 PRO 41 2HG PRO 41 4.726 9.107 -12.239 302 HG3 PRO 41 3HG PRO 41 3.218 9.856 -12.803 303 HD2 PRO 41 2HD PRO 41 3.314 8.391 -10.536 304 HD3 PRO 41 3HD PRO 41 1.875 8.400 -11.581 305 H SER 42 H SER 42 5.758 6.252 -12.472 306 HA SER 42 HA SER 42 6.679 4.377 -14.501 307 HB2 SER 42 2HB SER 42 8.223 6.086 -13.546 308 HB3 SER 42 3HB SER 42 8.100 5.316 -11.966 309 HG SER 42 HG SER 42 9.259 3.619 -12.687 310 H GLY 43 H GLY 43 5.870 4.265 -11.035 311 HA2 GLY 43 2HA GLY 43 4.656 2.489 -10.048 312 HA3 GLY 43 3HA GLY 43 5.280 1.384 -11.261 313 H ASN 44 H ASN 44 7.387 3.615 -9.610 314 HA ASN 44 HA ASN 44 8.867 1.506 -8.285 315 HB2 ASN 44 2HB ASN 44 9.248 4.535 -8.227 316 HB3 ASN 44 3HB ASN 44 10.352 3.362 -7.517 317 HD21 ASN 44 1HD2 ASN 44 12.084 4.033 -8.788 318 HD22 ASN 44 2HD2 ASN 44 12.179 3.724 -10.486 319 H SER 45 H SER 45 6.146 3.333 -7.545 320 HA SER 45 HA SER 45 6.133 2.559 -4.760 321 HB2 SER 45 2HB SER 45 5.748 4.906 -3.955 322 HB3 SER 45 3HB SER 45 7.361 4.681 -4.627 323 HG SER 45 HG SER 45 5.155 6.043 -5.729 324 H PHE 46 H PHE 46 3.995 3.689 -3.769 325 HA PHE 46 HA PHE 46 1.847 3.951 -5.772 326 HB2 PHE 46 2HB PHE 46 0.353 2.437 -4.524 327 HB3 PHE 46 3HB PHE 46 1.779 1.579 -5.079 328 HD1 PHE 46 HD2 PHE 46 3.618 1.024 -3.388 329 HD2 PHE 46 HD1 PHE 46 -0.214 2.480 -2.173 330 HE1 PHE 46 HE2 PHE 46 4.009 0.173 -1.113 331 HE2 PHE 46 HE1 PHE 46 0.188 1.623 0.101 332 HZ PHE 46 HZ PHE 46 2.298 0.469 0.633 333 H HIS 47 H HIS 47 0.133 5.240 -5.109 334 HA HIS 47 HA HIS 47 0.552 6.940 -2.738 335 HB2 HIS 47 2HB HIS 47 -1.196 7.312 -5.216 336 HB3 HIS 47 3HB HIS 47 -1.211 8.410 -3.840 337 HD1 HIS 47 HD1 HIS 47 0.436 10.273 -3.893 338 HD2 HIS 47 HD2 HIS 47 1.365 7.308 -6.648 339 HE1 HIS 47 HE1 HIS 47 2.283 11.218 -5.290 340 HE2 HIS 47 HE2 HIS 47 2.967 9.328 -6.793 341 H VAL 48 H VAL 48 -1.089 7.185 -1.234 342 HA VAL 48 HA VAL 48 -3.478 5.438 -1.374 343 HB VAL 48 HB VAL 48 -1.816 6.086 1.125 344 HG11 VAL 48 1HG1 VAL 48 -4.196 6.052 1.665 345 HG12 VAL 48 2HG1 VAL 48 -3.400 4.637 2.348 346 HG13 VAL 48 3HG1 VAL 48 -4.385 4.475 0.892 347 HG21 VAL 48 3HG2 VAL 48 -1.348 3.668 1.241 348 HG22 VAL 48 1HG2 VAL 48 -0.759 4.357 -0.273 349 HG23 VAL 48 2HG2 VAL 48 -2.245 3.406 -0.261 350 H PHE 49 H PHE 49 -5.296 6.591 -1.267 351 HA PHE 49 HA PHE 49 -5.214 9.418 -0.417 352 HB2 PHE 49 2HB PHE 49 -6.979 8.051 -2.492 353 HB3 PHE 49 3HB PHE 49 -7.221 9.707 -1.940 354 HD1 PHE 49 HD2 PHE 49 -5.591 11.465 -2.488 355 HD2 PHE 49 HD1 PHE 49 -5.176 7.500 -4.033 356 HE1 PHE 49 HE2 PHE 49 -3.990 12.284 -4.154 357 HE2 PHE 49 HE1 PHE 49 -3.562 8.324 -5.703 358 HZ PHE 49 HZ PHE 49 -2.966 10.716 -5.764 359 H ASP 50 H ASP 50 -6.785 10.234 0.847 360 HA ASP 50 HA ASP 50 -8.273 10.342 2.515 361 HB2 ASP 50 2HB ASP 50 -9.831 8.489 0.660 362 HB3 ASP 50 3HB ASP 50 -10.525 9.370 2.017 363 H GLN 51 H GLN 51 -6.646 9.180 3.807 364 HA GLN 51 HA GLN 51 -6.366 6.514 4.278 365 HB2 GLN 51 2HB GLN 51 -6.081 8.796 6.271 366 HB3 GLN 51 3HB GLN 51 -5.505 7.156 6.573 367 HG2 GLN 51 2HG GLN 51 -3.943 7.303 4.715 368 HG3 GLN 51 3HG GLN 51 -4.557 8.894 4.271 369 HE21 GLN 51 1HE2 GLN 51 -1.846 8.108 4.978 370 HE22 GLN 51 2HE2 GLN 51 -1.388 9.081 6.328 371 H GLY 52 H GLY 52 -8.884 8.544 5.667 372 HA2 GLY 52 2HA GLY 52 -9.910 6.674 7.583 373 HA3 GLY 52 3HA GLY 52 -10.737 8.093 6.960 374 H GLN 53 H GLN 53 -10.807 7.511 4.226 375 HA GLN 53 HA GLN 53 -13.135 5.807 4.138 376 HB2 GLN 53 2HB GLN 53 -12.883 7.922 2.795 377 HB3 GLN 53 3HB GLN 53 -11.622 7.146 1.848 378 HG2 GLN 53 2HG GLN 53 -13.730 7.160 0.621 379 HG3 GLN 53 3HG GLN 53 -13.257 5.505 0.998 380 HE21 GLN 53 1HE2 GLN 53 -15.379 4.737 0.781 381 HE22 GLN 53 2HE2 GLN 53 -16.616 5.101 1.936 382 H PHE 54 H PHE 54 -9.902 5.688 2.652 383 HA PHE 54 HA PHE 54 -9.711 3.210 1.558 384 HB2 PHE 54 2HB PHE 54 -7.903 4.876 1.489 385 HB3 PHE 54 3HB PHE 54 -7.672 4.764 3.224 386 HD1 PHE 54 HD2 PHE 54 -7.035 3.120 -0.021 387 HD2 PHE 54 HD1 PHE 54 -6.375 2.931 4.198 388 HE1 PHE 54 HE2 PHE 54 -5.273 1.442 -0.357 389 HE2 PHE 54 HE1 PHE 54 -4.611 1.256 3.843 390 HZ PHE 54 HZ PHE 54 -4.064 0.504 1.561 391 H ALA 55 H ALA 55 -9.091 4.012 4.987 392 HA ALA 55 HA ALA 55 -8.652 1.401 5.886 393 HB1 ALA 55 3HB ALA 55 -8.045 3.416 7.179 394 HB2 ALA 55 1HB ALA 55 -9.022 2.321 8.152 395 HB3 ALA 55 2HB ALA 55 -9.751 3.770 7.453 396 H LYS 56 H LYS 56 -11.628 3.191 5.415 397 HA LYS 56 HA LYS 56 -13.366 1.560 6.959 398 HB2 LYS 56 2HB LYS 56 -14.051 3.781 6.676 399 HB3 LYS 56 3HB LYS 56 -13.710 3.809 4.957 400 HG2 LYS 56 2HG LYS 56 -15.948 2.047 5.919 401 HG3 LYS 56 3HG LYS 56 -16.213 3.792 5.932 402 HD2 LYS 56 2HD LYS 56 -15.852 3.945 3.552 403 HD3 LYS 56 3HD LYS 56 -15.269 2.282 3.469 404 HE2 LYS 56 2HE LYS 56 -17.562 1.505 4.139 405 HE3 LYS 56 3HE LYS 56 -18.109 3.184 4.055 406 HZ1 LYS 56 3HZ LYS 56 -17.439 3.217 1.711 407 HZ2 LYS 56 1HZ LYS 56 -18.609 2.037 2.010 408 HZ3 LYS 56 2HZ LYS 56 -16.995 1.593 1.803 409 H GLU 57 H GLU 57 -12.669 1.580 3.430 410 HA GLU 57 HA GLU 57 -14.433 -0.809 3.144 411 HB2 GLU 57 2HB GLU 57 -14.738 -0.082 0.757 412 HB3 GLU 57 3HB GLU 57 -15.387 1.025 1.951 413 HG2 GLU 57 2HG GLU 57 -13.477 2.515 1.659 414 HG3 GLU 57 3HG GLU 57 -12.739 1.382 0.526 415 H VAL 58 H VAL 58 -11.239 0.406 2.360 416 HA VAL 58 HA VAL 58 -10.728 -1.592 0.287 417 HB VAL 58 HB VAL 58 -8.967 0.604 1.505 418 HG11 VAL 58 1HG1 VAL 58 -7.537 -1.163 0.643 419 HG12 VAL 58 2HG1 VAL 58 -7.474 0.208 -0.461 420 HG13 VAL 58 3HG1 VAL 58 -8.434 -1.218 -0.878 421 HG21 VAL 58 3HG2 VAL 58 -9.395 1.809 -0.620 422 HG22 VAL 58 1HG2 VAL 58 -10.903 1.471 0.232 423 HG23 VAL 58 2HG2 VAL 58 -10.446 0.499 -1.169 424 H LEU 59 H LEU 59 -9.586 -0.841 3.595 425 HA LEU 59 HA LEU 59 -7.704 -2.955 3.745 426 HB2 LEU 59 2HB LEU 59 -9.053 -1.347 5.932 427 HB3 LEU 59 3HB LEU 59 -7.870 -2.597 6.280 428 HG LEU 59 HG LEU 59 -7.393 0.003 4.771 429 HD11 LEU 59 1HD1 LEU 59 -5.843 0.477 6.608 430 HD12 LEU 59 2HD1 LEU 59 -6.279 -1.047 7.388 431 HD13 LEU 59 3HD1 LEU 59 -7.487 0.226 7.192 432 HD21 LEU 59 3HD2 LEU 59 -6.105 -1.741 3.644 433 HD22 LEU 59 1HD2 LEU 59 -5.432 -2.287 5.186 434 HD23 LEU 59 2HD2 LEU 59 -5.033 -0.686 4.558 435 HA PRO 60 HA PRO 60 -11.141 -5.707 5.900 436 HB2 PRO 60 2HB PRO 60 -13.787 -5.091 5.413 437 HB3 PRO 60 3HB PRO 60 -12.899 -4.495 6.831 438 HG2 PRO 60 2HG PRO 60 -13.436 -3.095 4.228 439 HG3 PRO 60 3HG PRO 60 -13.627 -2.483 5.888 440 HD2 PRO 60 2HD PRO 60 -11.462 -1.856 4.428 441 HD3 PRO 60 3HD PRO 60 -11.323 -2.161 6.178 442 H LYS 61 H LYS 61 -11.286 -4.298 2.744 443 HA LYS 61 HA LYS 61 -12.619 -6.433 1.377 444 HB2 LYS 61 2HB LYS 61 -12.494 -4.130 0.476 445 HB3 LYS 61 3HB LYS 61 -10.748 -4.269 0.315 446 HG2 LYS 61 2HG LYS 61 -10.979 -5.934 -1.429 447 HG3 LYS 61 3HG LYS 61 -12.730 -6.006 -1.195 448 HD2 LYS 61 2HD LYS 61 -13.031 -3.779 -2.054 449 HD3 LYS 61 3HD LYS 61 -11.298 -3.443 -1.995 450 HE2 LYS 61 2HE LYS 61 -12.067 -3.810 -4.296 451 HE3 LYS 61 3HE LYS 61 -10.909 -5.048 -3.816 452 HZ1 LYS 61 3HZ LYS 61 -13.856 -5.355 -3.940 453 HZ2 LYS 61 1HZ LYS 61 -12.787 -6.544 -3.411 454 HZ3 LYS 61 2HZ LYS 61 -12.734 -6.015 -5.011 455 H TYR 62 H TYR 62 -9.134 -5.457 1.464 456 HA TYR 62 HA TYR 62 -8.366 -8.134 0.477 457 HB2 TYR 62 2HB TYR 62 -6.820 -5.545 0.820 458 HB3 TYR 62 3HB TYR 62 -5.975 -7.072 0.552 459 HD1 TYR 62 HD2 TYR 62 -8.630 -4.880 -0.912 460 HD2 TYR 62 HD1 TYR 62 -5.752 -7.947 -1.646 461 HE1 TYR 62 HE2 TYR 62 -9.077 -4.707 -3.306 462 HE2 TYR 62 HE1 TYR 62 -6.211 -7.801 -4.049 463 HH TYR 62 HH TYR 62 -8.000 -7.073 -5.535 464 H PHE 63 H PHE 63 -7.732 -6.147 3.344 465 HA PHE 63 HA PHE 63 -6.369 -8.402 4.675 466 HB2 PHE 63 2HB PHE 63 -6.689 -5.505 5.635 467 HB3 PHE 63 3HB PHE 63 -5.610 -6.728 6.306 468 HD1 PHE 63 HD2 PHE 63 -3.631 -7.524 4.939 469 HD2 PHE 63 HD1 PHE 63 -6.024 -4.204 3.706 470 HE1 PHE 63 HE2 PHE 63 -1.884 -6.840 3.349 471 HE2 PHE 63 HE1 PHE 63 -4.271 -3.534 2.111 472 HZ PHE 63 HZ PHE 63 -2.198 -4.855 1.929 473 H LYS 64 H LYS 64 -7.065 -8.131 7.320 474 HA LYS 64 HA LYS 64 -9.992 -8.669 7.273 475 HB2 LYS 64 2HB LYS 64 -7.872 -10.123 8.929 476 HB3 LYS 64 3HB LYS 64 -9.597 -10.485 8.891 477 HG2 LYS 64 2HG LYS 64 -9.379 -11.094 6.475 478 HG3 LYS 64 3HG LYS 64 -7.641 -10.808 6.590 479 HD2 LYS 64 2HD LYS 64 -7.515 -12.597 8.352 480 HD3 LYS 64 3HD LYS 64 -9.233 -12.923 8.097 481 HE2 LYS 64 2HE LYS 64 -7.009 -13.244 6.050 482 HE3 LYS 64 3HE LYS 64 -7.875 -14.540 6.874 483 HZ1 LYS 64 3HZ LYS 64 -9.009 -12.613 4.927 484 HZ2 LYS 64 1HZ LYS 64 -9.923 -13.731 5.799 485 HZ3 LYS 64 2HZ LYS 64 -8.768 -14.267 4.696 486 H HIS 65 H HIS 65 -9.176 -6.154 7.768 487 HA HIS 65 HA HIS 65 -10.101 -5.525 10.376 488 HB2 HIS 65 2HB HIS 65 -8.074 -4.395 11.272 489 HB3 HIS 65 3HB HIS 65 -7.766 -6.112 11.037 490 HD1 HIS 65 HD1 HIS 65 -6.728 -2.732 9.774 491 HD2 HIS 65 HD2 HIS 65 -5.880 -6.728 9.025 492 HE1 HIS 65 HE1 HIS 65 -4.655 -2.730 8.359 493 HE2 HIS 65 HE2 HIS 65 -4.065 -5.157 8.080 494 H ASN 66 H ASN 66 -10.062 -3.096 10.685 495 HA ASN 66 HA ASN 66 -10.158 -1.674 8.070 496 HB2 ASN 66 2HB ASN 66 -11.984 -1.095 10.446 497 HB3 ASN 66 3HB ASN 66 -11.994 -0.288 8.884 498 HD21 ASN 66 1HD2 ASN 66 -14.008 -0.773 8.199 499 HD22 ASN 66 2HD2 ASN 66 -14.616 -2.374 7.957 500 H ASN 67 H ASN 67 -8.799 -1.815 11.163 501 HA ASN 67 HA ASN 67 -8.175 0.936 11.613 502 HB2 ASN 67 2HB ASN 67 -8.165 -0.732 13.441 503 HB3 ASN 67 3HB ASN 67 -6.846 -1.603 12.670 504 HD21 ASN 67 1HD2 ASN 67 -7.713 1.295 14.449 505 HD22 ASN 67 2HD2 ASN 67 -6.100 1.741 14.894 506 H MET 68 H MET 68 -6.670 2.152 10.590 507 HA MET 68 HA MET 68 -4.922 0.862 8.599 508 HB2 MET 68 2HB MET 68 -6.402 2.814 7.930 509 HB3 MET 68 3HB MET 68 -5.404 3.855 8.936 510 HG2 MET 68 2HG MET 68 -3.447 3.208 7.545 511 HG3 MET 68 3HG MET 68 -4.536 2.277 6.507 512 HE1 MET 68 3HE MET 68 -3.631 5.327 4.305 513 HE2 MET 68 1HE MET 68 -3.608 3.573 4.486 514 HE3 MET 68 2HE MET 68 -2.566 4.578 5.496 515 H ALA 69 H ALA 69 -4.691 2.402 11.692 516 HA ALA 69 HA ALA 69 -2.016 3.194 11.784 517 HB1 ALA 69 3HB ALA 69 -3.599 3.590 13.623 518 HB2 ALA 69 1HB ALA 69 -2.143 2.793 14.218 519 HB3 ALA 69 2HB ALA 69 -3.628 1.865 13.993 520 H SER 70 H SER 70 -3.449 -0.003 12.107 521 HA SER 70 HA SER 70 -1.154 -1.560 12.648 522 HB2 SER 70 2HB SER 70 -3.397 -2.451 13.024 523 HB3 SER 70 3HB SER 70 -3.812 -2.280 11.320 524 HG SER 70 HG SER 70 -1.579 -3.828 12.016 525 H PHE 71 H PHE 71 -2.711 -0.528 9.638 526 HA PHE 71 HA PHE 71 -1.309 -2.197 7.818 527 HB2 PHE 71 2HB PHE 71 -3.459 -1.290 7.178 528 HB3 PHE 71 3HB PHE 71 -2.949 0.358 7.499 529 HD1 PHE 71 HD1 PHE 71 -2.380 -2.534 5.193 530 HD2 PHE 71 HD2 PHE 71 -2.079 1.697 5.723 531 HE1 PHE 71 HE1 PHE 71 -1.839 -2.269 2.810 532 HE2 PHE 71 HE2 PHE 71 -1.526 1.955 3.336 533 HZ PHE 71 HZ PHE 71 -1.403 -0.031 1.878 534 H VAL 72 H VAL 72 -0.982 1.300 8.545 535 HA VAL 72 HA VAL 72 1.322 1.806 7.024 536 HB VAL 72 HB VAL 72 0.314 3.290 9.503 537 HG11 VAL 72 1HG1 VAL 72 2.646 3.894 9.008 538 HG12 VAL 72 2HG1 VAL 72 1.567 5.243 8.657 539 HG13 VAL 72 3HG1 VAL 72 2.217 4.267 7.335 540 HG21 VAL 72 3HG2 VAL 72 -0.825 4.801 7.898 541 HG22 VAL 72 1HG2 VAL 72 -1.400 3.140 7.737 542 HG23 VAL 72 2HG2 VAL 72 -0.271 3.799 6.551 543 H ARG 73 H ARG 73 0.960 0.838 10.460 544 HA ARG 73 HA ARG 73 3.627 1.061 11.298 545 HB2 ARG 73 2HB ARG 73 1.763 0.646 12.867 546 HB3 ARG 73 3HB ARG 73 1.532 -0.967 12.204 547 HG2 ARG 73 2HG ARG 73 3.711 -1.673 13.068 548 HG3 ARG 73 3HG ARG 73 4.045 -0.035 13.641 549 HD2 ARG 73 2HD ARG 73 1.795 -1.827 14.634 550 HD3 ARG 73 3HD ARG 73 3.323 -1.531 15.469 551 HE ARG 73 HE ARG 73 1.895 0.892 14.886 552 HH11 ARG 73 1HH1 ARG 73 2.082 -1.758 17.220 553 HH12 ARG 73 2HH1 ARG 73 1.386 -0.819 18.504 554 HH21 ARG 73 1HH2 ARG 73 0.975 2.092 16.593 555 HH22 ARG 73 2HH2 ARG 73 0.764 1.351 18.149 556 H GLN 74 H GLN 74 1.973 -1.591 9.625 557 HA GLN 74 HA GLN 74 4.044 -3.511 9.651 558 HB2 GLN 74 2HB GLN 74 1.803 -3.023 7.644 559 HB3 GLN 74 3HB GLN 74 2.900 -4.393 7.527 560 HG2 GLN 74 2HG GLN 74 0.975 -3.827 9.799 561 HG3 GLN 74 3HG GLN 74 0.793 -5.056 8.549 562 HE21 GLN 74 1HE2 GLN 74 0.896 -5.385 11.443 563 HE22 GLN 74 2HE2 GLN 74 2.215 -6.449 11.771 564 H LEU 75 H LEU 75 3.222 -0.975 7.268 565 HA LEU 75 HA LEU 75 5.183 -1.573 5.352 566 HB2 LEU 75 2HB LEU 75 3.747 1.042 5.980 567 HB3 LEU 75 3HB LEU 75 4.722 0.788 4.539 568 HG LEU 75 HG LEU 75 2.263 -0.877 5.215 569 HD11 LEU 75 1HD1 LEU 75 1.040 0.422 3.558 570 HD12 LEU 75 2HD1 LEU 75 2.437 1.474 3.313 571 HD13 LEU 75 3HD1 LEU 75 1.606 1.455 4.869 572 HD21 LEU 75 3HD2 LEU 75 2.377 -1.567 2.854 573 HD22 LEU 75 1HD2 LEU 75 3.829 -2.025 3.744 574 HD23 LEU 75 2HD2 LEU 75 3.870 -0.642 2.649 575 H ASN 76 H ASN 76 5.217 0.688 8.094 576 HA ASN 76 HA ASN 76 7.719 1.864 7.797 577 HB2 ASN 76 2HB ASN 76 6.336 1.127 10.423 578 HB3 ASN 76 3HB ASN 76 7.634 2.309 10.246 579 HD21 ASN 76 1HD2 ASN 76 4.840 2.570 11.186 580 HD22 ASN 76 2HD2 ASN 76 4.145 3.821 10.220 581 H MET 77 H MET 77 6.860 -1.179 9.382 582 HA MET 77 HA MET 77 9.541 -1.873 10.158 583 HB2 MET 77 2HB MET 77 7.008 -3.564 9.995 584 HB3 MET 77 3HB MET 77 8.531 -4.126 10.666 585 HG2 MET 77 2HG MET 77 8.401 -2.319 12.378 586 HG3 MET 77 3HG MET 77 6.818 -1.876 11.738 587 HE1 MET 77 3HE MET 77 4.717 -5.134 12.550 588 HE2 MET 77 1HE MET 77 5.589 -4.821 11.049 589 HE3 MET 77 2HE MET 77 4.671 -3.528 11.825 590 H TYR 78 H TYR 78 7.543 -2.405 7.315 591 HA TYR 78 HA TYR 78 9.318 -4.380 6.104 592 HB2 TYR 78 2HB TYR 78 6.758 -3.034 5.169 593 HB3 TYR 78 3HB TYR 78 7.731 -3.987 4.066 594 HD1 TYR 78 HD1 TYR 78 8.405 -6.437 5.228 595 HD2 TYR 78 HD2 TYR 78 4.856 -4.173 5.963 596 HE1 TYR 78 HE1 TYR 78 7.210 -8.496 5.846 597 HE2 TYR 78 HE2 TYR 78 3.675 -6.230 6.590 598 HH TYR 78 HH TYR 78 5.247 -9.184 7.153 599 H GLY 79 H GLY 79 9.662 -1.178 6.621 600 HA2 GLY 79 2HA GLY 79 11.552 0.019 6.028 601 HA3 GLY 79 3HA GLY 79 11.855 -1.115 4.725 602 H PHE 80 H PHE 80 8.673 0.154 4.656 603 HA PHE 80 HA PHE 80 9.142 1.523 2.178 604 HB2 PHE 80 2HB PHE 80 6.657 1.192 3.913 605 HB3 PHE 80 3HB PHE 80 6.650 2.177 2.453 606 HD1 PHE 80 HD1 PHE 80 7.321 -1.313 3.661 607 HD2 PHE 80 HD2 PHE 80 6.260 1.176 0.346 608 HE1 PHE 80 HE1 PHE 80 6.831 -3.313 2.306 609 HE2 PHE 80 HE2 PHE 80 5.771 -0.827 -0.993 610 HZ PHE 80 HZ PHE 80 6.058 -3.070 -0.018 611 H ARG 81 H ARG 81 9.183 3.699 1.766 612 HA ARG 81 HA ARG 81 9.630 5.485 4.055 613 HB2 ARG 81 2HB ARG 81 11.470 5.253 2.370 614 HB3 ARG 81 3HB ARG 81 10.386 5.825 1.112 615 HG2 ARG 81 2HG ARG 81 10.199 8.009 2.311 616 HG3 ARG 81 3HG ARG 81 11.372 7.428 3.499 617 HD2 ARG 81 2HD ARG 81 11.844 7.879 0.529 618 HD3 ARG 81 3HD ARG 81 12.514 8.818 1.862 619 HE ARG 81 HE ARG 81 13.271 6.059 1.111 620 HH11 ARG 81 1HH1 ARG 81 14.036 9.022 2.895 621 HH12 ARG 81 2HH1 ARG 81 15.644 8.503 3.301 622 HH21 ARG 81 1HH2 ARG 81 15.404 5.420 1.640 623 HH22 ARG 81 2HH2 ARG 81 16.410 6.468 2.590 624 H LYS 82 H LYS 82 8.093 6.894 4.542 625 HA LYS 82 HA LYS 82 5.687 7.263 2.989 626 HB2 LYS 82 2HB LYS 82 5.838 7.008 5.519 627 HB3 LYS 82 3HB LYS 82 6.607 8.583 5.600 628 HG2 LYS 82 2HG LYS 82 3.839 8.189 4.441 629 HG3 LYS 82 3HG LYS 82 4.106 8.431 6.165 630 HD2 LYS 82 2HD LYS 82 5.128 10.641 5.694 631 HD3 LYS 82 3HD LYS 82 4.882 10.391 3.963 632 HE2 LYS 82 2HE LYS 82 3.134 11.828 4.829 633 HE3 LYS 82 3HE LYS 82 2.422 10.294 4.361 634 HZ1 LYS 82 3HZ LYS 82 3.122 11.122 7.126 635 HZ2 LYS 82 1HZ LYS 82 2.468 9.629 6.692 636 HZ3 LYS 82 2HZ LYS 82 1.565 11.039 6.477 637 H VAL 83 H VAL 83 5.453 8.845 1.463 638 HA VAL 83 HA VAL 83 6.909 11.407 1.656 639 HB VAL 83 HB VAL 83 6.525 9.781 -0.927 640 HG11 VAL 83 1HG1 VAL 83 7.837 11.561 -2.037 641 HG12 VAL 83 2HG1 VAL 83 7.862 12.485 -0.530 642 HG13 VAL 83 3HG1 VAL 83 6.331 12.176 -1.353 643 HG21 VAL 83 3HG2 VAL 83 8.327 8.819 0.442 644 HG22 VAL 83 1HG2 VAL 83 9.117 10.394 0.556 645 HG23 VAL 83 2HG2 VAL 83 8.990 9.576 -1.006 646 H VAL 84 H VAL 84 5.378 13.007 1.728 647 HA VAL 84 HA VAL 84 2.621 12.429 0.803 648 HB VAL 84 HB VAL 84 2.708 12.883 3.194 649 HG11 VAL 84 1HG1 VAL 84 4.785 14.159 3.357 650 HG12 VAL 84 2HG1 VAL 84 3.469 14.990 4.184 651 HG13 VAL 84 3HG1 VAL 84 4.012 15.556 2.602 652 HG21 VAL 84 3HG2 VAL 84 1.093 14.736 3.367 653 HG22 VAL 84 1HG2 VAL 84 0.735 13.698 1.987 654 HG23 VAL 84 2HG2 VAL 84 1.507 15.263 1.732 655 H HIS 85 H HIS 85 1.826 13.574 -0.888 656 HA HIS 85 HA HIS 85 3.570 15.633 -2.128 657 HB2 HIS 85 2HB HIS 85 1.400 13.877 -3.360 658 HB3 HIS 85 3HB HIS 85 2.313 15.106 -4.239 659 HD1 HIS 85 HD1 HIS 85 4.365 14.282 -5.364 660 HD2 HIS 85 HD2 HIS 85 3.239 11.788 -2.234 661 HE1 HIS 85 HE1 HIS 85 5.988 12.365 -5.405 662 HE2 HIS 85 HE2 HIS 85 5.410 10.996 -3.384 663 H ILE 86 H ILE 86 0.168 14.999 -1.243 664 HA ILE 86 HA ILE 86 -0.657 17.751 -1.571 665 HB ILE 86 HB ILE 86 -1.922 15.454 0.012 666 HG12 ILE 86 2HG1 ILE 86 -1.962 15.054 -2.415 667 HG13 ILE 86 3HG1 ILE 86 -3.592 15.366 -1.836 668 HG21 ILE 86 1HG2 ILE 86 -3.143 18.180 -0.550 669 HG22 ILE 86 2HG2 ILE 86 -2.619 17.575 1.021 670 HG23 ILE 86 3HG2 ILE 86 -3.977 16.809 0.195 671 HD11 ILE 86 3HD1 ILE 86 -3.429 17.669 -2.708 672 HD12 ILE 86 1HD1 ILE 86 -3.220 16.442 -3.959 673 HD13 ILE 86 2HD1 ILE 86 -1.816 17.299 -3.324 674 H GLU 87 H GLU 87 0.937 18.916 -0.567 675 HA GLU 87 HA GLU 87 2.145 18.396 1.915 676 HB2 GLU 87 2HB GLU 87 1.915 21.049 0.441 677 HB3 GLU 87 3HB GLU 87 3.072 20.687 1.723 678 HG2 GLU 87 2HG GLU 87 4.216 19.070 0.340 679 HG3 GLU 87 3HG GLU 87 2.967 19.166 -0.901 680 H GLN 88 H GLN 88 1.012 18.229 3.698 681 HA GLN 88 HA GLN 88 -1.574 19.298 4.087 682 HB2 GLN 88 2HB GLN 88 0.274 17.908 6.068 683 HB3 GLN 88 3HB GLN 88 -1.447 18.192 6.309 684 HG2 GLN 88 2HG GLN 88 -1.946 16.781 4.333 685 HG3 GLN 88 3HG GLN 88 -0.223 16.471 4.130 686 HE21 GLN 88 1HE2 GLN 88 -1.976 16.566 7.226 687 HE22 GLN 88 2HE2 GLN 88 -1.746 14.894 7.601 688 H GLY 89 H GLY 89 -2.283 21.072 5.020 689 HA2 GLY 89 2HA GLY 89 -1.450 22.487 7.203 690 HA3 GLY 89 3HA GLY 89 -0.513 23.170 5.872 691 H GLY 90 H GLY 90 -1.531 25.164 6.006 692 HA2 GLY 90 2HA GLY 90 -4.406 25.369 5.347 693 HA3 GLY 90 3HA GLY 90 -3.362 26.664 5.917 694 H LEU 91 H LEU 91 -2.215 24.531 3.417 695 HA LEU 91 HA LEU 91 -1.874 26.691 1.528 696 HB2 LEU 91 2HB LEU 91 -1.308 23.703 1.240 697 HB3 LEU 91 3HB LEU 91 -0.786 24.941 0.110 698 HG LEU 91 HG LEU 91 0.178 24.582 2.975 699 HD11 LEU 91 1HD1 LEU 91 1.648 24.209 0.344 700 HD12 LEU 91 2HD1 LEU 91 1.105 22.930 1.432 701 HD13 LEU 91 3HD1 LEU 91 2.351 24.058 1.958 702 HD21 LEU 91 3HD2 LEU 91 1.758 26.430 2.529 703 HD22 LEU 91 1HD2 LEU 91 0.079 26.964 2.492 704 HD23 LEU 91 2HD2 LEU 91 0.962 26.734 0.982 705 H VAL 92 H VAL 92 -2.407 26.088 -0.881 706 HA VAL 92 HA VAL 92 -5.280 25.995 -1.112 707 HB VAL 92 HB VAL 92 -3.769 27.550 -2.402 708 HG11 VAL 92 1HG1 VAL 92 -1.975 26.019 -2.985 709 HG12 VAL 92 2HG1 VAL 92 -2.630 26.783 -4.432 710 HG13 VAL 92 3HG1 VAL 92 -3.050 25.110 -4.052 711 HG21 VAL 92 3HG2 VAL 92 -5.642 25.890 -4.135 712 HG22 VAL 92 1HG2 VAL 92 -5.072 27.526 -4.490 713 HG23 VAL 92 2HG2 VAL 92 -6.106 27.234 -3.090 714 H LYS 93 H LYS 93 -3.289 23.497 -0.681 715 HA LYS 93 HA LYS 93 -3.848 21.490 -2.541 716 HB2 LYS 93 2HB LYS 93 -3.604 21.145 0.488 717 HB3 LYS 93 3HB LYS 93 -3.315 19.904 -0.725 718 HG2 LYS 93 2HG LYS 93 -1.657 22.405 -0.337 719 HG3 LYS 93 3HG LYS 93 -1.242 20.800 0.269 720 HD2 LYS 93 2HD LYS 93 -1.056 19.956 -2.031 721 HD3 LYS 93 3HD LYS 93 -1.564 21.525 -2.669 722 HE2 LYS 93 2HE LYS 93 0.448 22.575 -1.727 723 HE3 LYS 93 3HE LYS 93 0.944 21.030 -1.038 724 HZ1 LYS 93 3HZ LYS 93 2.136 21.436 -3.066 725 HZ2 LYS 93 1HZ LYS 93 0.699 21.657 -3.931 726 HZ3 LYS 93 2HZ LYS 93 1.082 20.134 -3.310 727 HA PRO 94 HA PRO 94 -8.239 20.481 -1.537 728 HB2 PRO 94 2HB PRO 94 -8.364 17.893 -2.418 729 HB3 PRO 94 3HB PRO 94 -8.289 19.256 -3.557 730 HG2 PRO 94 2HG PRO 94 -6.065 17.495 -2.586 731 HG3 PRO 94 3HG PRO 94 -6.449 17.994 -4.253 732 HD2 PRO 94 2HD PRO 94 -4.512 19.231 -2.820 733 HD3 PRO 94 3HD PRO 94 -5.528 20.131 -3.968 734 H GLU 95 H GLU 95 -9.280 19.430 0.209 735 HA GLU 95 HA GLU 95 -7.493 18.411 2.274 736 HB2 GLU 95 2HB GLU 95 -9.456 18.571 3.800 737 HB3 GLU 95 3HB GLU 95 -9.022 20.097 3.037 738 HG2 GLU 95 2HG GLU 95 -10.903 19.962 1.527 739 HG3 GLU 95 3HG GLU 95 -11.287 18.327 2.067 740 H ARG 96 H ARG 96 -7.154 16.595 0.733 741 HA ARG 96 HA ARG 96 -8.520 14.290 1.954 742 HB2 ARG 96 2HB ARG 96 -8.320 12.980 -0.108 743 HB3 ARG 96 3HB ARG 96 -9.306 14.402 -0.398 744 HG2 ARG 96 2HG ARG 96 -7.440 15.500 -1.557 745 HG3 ARG 96 3HG ARG 96 -6.401 14.110 -1.220 746 HD2 ARG 96 2HD ARG 96 -7.262 14.013 -3.518 747 HD3 ARG 96 3HD ARG 96 -7.884 12.664 -2.562 748 HE ARG 96 HE ARG 96 -9.484 15.116 -3.042 749 HH11 ARG 96 1HH1 ARG 96 -9.232 11.599 -3.101 750 HH12 ARG 96 2HH1 ARG 96 -10.887 11.372 -3.556 751 HH21 ARG 96 1HH2 ARG 96 -11.645 14.802 -3.662 752 HH22 ARG 96 2HH2 ARG 96 -12.262 13.189 -3.878 753 H ASP 97 H ASP 97 -7.089 12.435 2.082 754 HA ASP 97 HA ASP 97 -4.407 13.264 2.849 755 HB2 ASP 97 2HB ASP 97 -5.548 10.435 2.890 756 HB3 ASP 97 3HB ASP 97 -4.174 11.050 3.806 757 H ASP 98 H ASP 98 -2.562 12.763 1.755 758 HA ASP 98 HA ASP 98 -2.615 10.661 -0.314 759 HB2 ASP 98 2HB ASP 98 -2.551 12.800 -1.547 760 HB3 ASP 98 3HB ASP 98 -1.177 13.340 -0.588 761 H THR 99 H THR 99 -1.230 9.127 0.273 762 HA THR 99 HA THR 99 1.323 9.841 1.563 763 HB THR 99 HB THR 99 -0.433 7.482 2.412 764 HG1 THR 99 HG1 THR 99 -0.597 10.084 3.098 765 HG21 THR 99 3HG2 THR 99 2.085 8.675 3.623 766 HG22 THR 99 1HG2 THR 99 1.974 7.125 2.781 767 HG23 THR 99 2HG2 THR 99 1.137 7.360 4.315 768 H GLU 100 H GLU 100 2.875 9.142 0.233 769 HA GLU 100 HA GLU 100 2.390 6.870 -1.590 770 HB2 GLU 100 2HB GLU 100 2.914 8.999 -2.742 771 HB3 GLU 100 3HB GLU 100 4.397 9.162 -1.803 772 HG2 GLU 100 2HG GLU 100 5.186 6.990 -2.841 773 HG3 GLU 100 3HG GLU 100 3.767 7.052 -3.889 774 H PHE 101 H PHE 101 3.192 5.057 -0.699 775 HA PHE 101 HA PHE 101 5.686 5.108 0.867 776 HB2 PHE 101 2HB PHE 101 3.643 2.891 0.407 777 HB3 PHE 101 3HB PHE 101 5.109 2.700 1.357 778 HD1 PHE 101 HD1 PHE 101 5.400 4.186 3.437 779 HD2 PHE 101 HD2 PHE 101 1.650 3.705 1.433 780 HE1 PHE 101 HE1 PHE 101 4.216 4.935 5.462 781 HE2 PHE 101 HE2 PHE 101 0.475 4.445 3.470 782 HZ PHE 101 HZ PHE 101 1.758 5.052 5.483 783 H GLN 102 H GLN 102 7.537 4.433 0.028 784 HA GLN 102 HA GLN 102 7.597 2.962 -2.549 785 HB2 GLN 102 2HB GLN 102 9.708 4.213 -3.079 786 HB3 GLN 102 3HB GLN 102 8.277 5.230 -3.041 787 HG2 GLN 102 2HG GLN 102 8.901 6.198 -0.941 788 HG3 GLN 102 3HG GLN 102 10.193 5.023 -0.705 789 HE21 GLN 102 1HE2 GLN 102 10.260 7.990 -0.808 790 HE22 GLN 102 2HE2 GLN 102 11.417 8.386 -2.024 791 H HIS 103 H HIS 103 9.247 1.437 -2.759 792 HA HIS 103 HA HIS 103 11.291 1.080 -0.729 793 HB2 HIS 103 2HB HIS 103 9.225 -0.117 0.198 794 HB3 HIS 103 3HB HIS 103 9.290 -1.197 -1.190 795 HD1 HIS 103 HD1 HIS 103 10.764 -3.227 -0.928 796 HD2 HIS 103 HD2 HIS 103 11.592 -0.301 1.893 797 HE1 HIS 103 HE1 HIS 103 12.475 -4.226 0.617 798 HE2 HIS 103 HE2 HIS 103 12.758 -2.534 2.445 799 HA PRO 104 HA PRO 104 13.366 0.008 -4.594 800 HB2 PRO 104 2HB PRO 104 15.502 -1.498 -3.600 801 HB3 PRO 104 3HB PRO 104 15.434 0.276 -3.591 802 HG2 PRO 104 2HG PRO 104 14.764 -1.640 -1.376 803 HG3 PRO 104 3HG PRO 104 15.716 -0.137 -1.317 804 HD2 PRO 104 2HD PRO 104 13.176 -0.155 -0.490 805 HD3 PRO 104 3HD PRO 104 13.804 1.236 -1.415 806 H CYS 105 H CYS 105 12.581 -2.553 -2.295 807 HA CYS 105 HA CYS 105 12.718 -4.661 -4.337 808 HB2 CYS 105 2HB CYS 105 11.917 -5.036 -1.434 809 HB3 CYS 105 3HB CYS 105 12.590 -6.227 -2.546 810 HG CYS 105 HG CYS 105 15.034 -4.458 -2.613 811 H PHE 106 H PHE 106 10.488 -2.393 -3.715 812 HA PHE 106 HA PHE 106 8.209 -4.140 -4.460 813 HB2 PHE 106 2HB PHE 106 7.929 -3.116 -2.156 814 HB3 PHE 106 3HB PHE 106 8.026 -1.519 -2.876 815 HD1 PHE 106 HD2 PHE 106 6.159 -0.855 -4.588 816 HD2 PHE 106 HD1 PHE 106 5.843 -4.250 -2.008 817 HE1 PHE 106 HE2 PHE 106 3.718 -0.892 -4.924 818 HE2 PHE 106 HE1 PHE 106 3.409 -4.280 -2.348 819 HZ PHE 106 HZ PHE 106 2.343 -2.606 -3.806 820 H LEU 107 H LEU 107 8.351 -3.861 -6.659 821 HA LEU 107 HA LEU 107 7.850 -1.131 -7.705 822 HB2 LEU 107 2HB LEU 107 9.354 -3.326 -9.188 823 HB3 LEU 107 3HB LEU 107 9.050 -1.703 -9.773 824 HG LEU 107 HG LEU 107 10.877 -2.424 -7.441 825 HD11 LEU 107 1HD1 LEU 107 11.794 -3.209 -9.561 826 HD12 LEU 107 2HD1 LEU 107 12.736 -1.857 -8.939 827 HD13 LEU 107 3HD1 LEU 107 11.603 -1.601 -10.271 828 HD21 LEU 107 3HD2 LEU 107 9.937 -0.185 -7.148 829 HD22 LEU 107 1HD2 LEU 107 10.451 0.271 -8.776 830 HD23 LEU 107 2HD2 LEU 107 11.653 -0.094 -7.533 831 H ARG 108 H ARG 108 6.883 -1.393 -10.005 832 HA ARG 108 HA ARG 108 4.327 -2.676 -9.714 833 HB2 ARG 108 2HB ARG 108 4.531 -0.440 -10.626 834 HB3 ARG 108 3HB ARG 108 5.639 -0.986 -11.873 835 HG2 ARG 108 2HG ARG 108 3.826 -2.171 -13.005 836 HG3 ARG 108 3HG ARG 108 2.700 -1.728 -11.718 837 HD2 ARG 108 2HD ARG 108 2.880 0.619 -12.273 838 HD3 ARG 108 3HD ARG 108 4.199 0.301 -13.410 839 HE ARG 108 HE ARG 108 1.782 -1.098 -14.090 840 HH11 ARG 108 1HH1 ARG 108 3.405 2.033 -14.307 841 HH12 ARG 108 2HH1 ARG 108 2.541 2.518 -15.731 842 HH21 ARG 108 1HH2 ARG 108 0.681 -0.445 -15.986 843 HH22 ARG 108 2HH2 ARG 108 1.002 1.115 -16.676 844 H GLY 109 H GLY 109 4.129 -4.805 -10.086 845 HA2 GLY 109 2HA GLY 109 4.036 -6.808 -11.239 846 HA3 GLY 109 3HA GLY 109 4.857 -6.050 -12.601 847 H GLN 110 H GLN 110 5.860 -6.194 -9.239 848 HA GLN 110 HA GLN 110 8.254 -7.786 -9.934 849 HB2 GLN 110 2HB GLN 110 8.449 -5.126 -9.911 850 HB3 GLN 110 3HB GLN 110 8.432 -5.323 -8.165 851 HG2 GLN 110 2HG GLN 110 10.707 -5.151 -8.892 852 HG3 GLN 110 3HG GLN 110 10.433 -6.810 -8.366 853 HE21 GLN 110 1HE2 GLN 110 9.414 -5.492 -11.506 854 HE22 GLN 110 2HE2 GLN 110 10.488 -6.453 -12.455 855 H GLU 111 H GLU 111 5.995 -8.749 -8.800 856 HA GLU 111 HA GLU 111 5.829 -8.636 -5.983 857 HB2 GLU 111 2HB GLU 111 4.147 -10.338 -6.103 858 HB3 GLU 111 3HB GLU 111 3.921 -9.270 -7.478 859 HG2 GLU 111 2HG GLU 111 5.242 -11.997 -7.584 860 HG3 GLU 111 3HG GLU 111 3.565 -11.658 -8.005 861 H GLN 112 H GLN 112 7.855 -10.538 -8.089 862 HA GLN 112 HA GLN 112 8.447 -12.647 -6.259 863 HB2 GLN 112 2HB GLN 112 9.991 -13.477 -7.808 864 HB3 GLN 112 3HB GLN 112 8.825 -12.665 -8.833 865 HG2 GLN 112 2HG GLN 112 11.445 -11.383 -8.012 866 HG3 GLN 112 3HG GLN 112 11.294 -12.417 -9.425 867 HE21 GLN 112 1HE2 GLN 112 11.917 -10.738 -10.804 868 HE22 GLN 112 2HE2 GLN 112 10.896 -9.395 -11.167 869 H LEU 113 H LEU 113 9.450 -9.378 -6.341 870 HA LEU 113 HA LEU 113 11.761 -9.881 -4.600 871 HB2 LEU 113 2HB LEU 113 10.693 -7.248 -5.676 872 HB3 LEU 113 3HB LEU 113 12.131 -7.423 -4.682 873 HG LEU 113 HG LEU 113 11.724 -8.321 -7.555 874 HD11 LEU 113 1HD1 LEU 113 13.812 -6.504 -6.301 875 HD12 LEU 113 2HD1 LEU 113 12.409 -5.991 -7.243 876 HD13 LEU 113 3HD1 LEU 113 13.688 -6.925 -8.014 877 HD21 LEU 113 3HD2 LEU 113 13.965 -9.366 -7.511 878 HD22 LEU 113 1HD2 LEU 113 12.819 -10.200 -6.462 879 HD23 LEU 113 2HD2 LEU 113 14.037 -9.133 -5.761 880 H LEU 114 H LEU 114 8.432 -9.539 -4.133 881 HA LEU 114 HA LEU 114 8.420 -7.984 -1.713 882 HB2 LEU 114 2HB LEU 114 6.303 -9.988 -2.582 883 HB3 LEU 114 3HB LEU 114 6.115 -8.714 -1.383 884 HG LEU 114 HG LEU 114 6.404 -8.390 -4.377 885 HD11 LEU 114 1HD1 LEU 114 4.172 -9.045 -3.680 886 HD12 LEU 114 2HD1 LEU 114 4.167 -7.382 -4.260 887 HD13 LEU 114 3HD1 LEU 114 4.105 -7.708 -2.525 888 HD21 LEU 114 3HD2 LEU 114 6.220 -5.966 -4.049 889 HD22 LEU 114 1HD2 LEU 114 7.699 -6.627 -3.354 890 HD23 LEU 114 2HD2 LEU 114 6.347 -6.195 -2.303 891 H GLU 115 H GLU 115 8.854 -11.370 -2.425 892 HA GLU 115 HA GLU 115 8.679 -12.454 0.190 893 HB2 GLU 115 2HB GLU 115 10.028 -14.329 -0.704 894 HB3 GLU 115 3HB GLU 115 8.725 -13.891 -1.807 895 HG2 GLU 115 2HG GLU 115 10.357 -12.604 -3.181 896 HG3 GLU 115 3HG GLU 115 11.641 -13.097 -2.081 897 H ASN 116 H ASN 116 11.009 -10.369 -1.222 898 HA ASN 116 HA ASN 116 13.191 -11.128 0.602 899 HB2 ASN 116 2HB ASN 116 13.144 -9.139 -1.716 900 HB3 ASN 116 3HB ASN 116 14.559 -9.520 -0.735 901 HD21 ASN 116 1HD2 ASN 116 12.375 -10.697 -3.173 902 HD22 ASN 116 2HD2 ASN 116 13.338 -12.028 -3.696 903 H ILE 117 H ILE 117 10.537 -9.063 0.471 904 HA ILE 117 HA ILE 117 11.697 -6.877 2.027 905 HB ILE 117 HB ILE 117 8.751 -7.343 1.326 906 HG12 ILE 117 2HG1 ILE 117 10.791 -5.555 -0.069 907 HG13 ILE 117 3HG1 ILE 117 10.039 -7.001 -0.735 908 HG21 ILE 117 1HG2 ILE 117 10.115 -4.839 2.392 909 HG22 ILE 117 2HG2 ILE 117 9.061 -5.913 3.313 910 HG23 ILE 117 3HG2 ILE 117 8.407 -4.985 1.964 911 HD11 ILE 117 3HD1 ILE 117 7.853 -5.874 -0.653 912 HD12 ILE 117 1HD1 ILE 117 9.029 -5.038 -1.663 913 HD13 ILE 117 2HD1 ILE 117 8.648 -4.410 -0.061 914 H LYS 118 H LYS 118 11.695 -6.867 4.197 915 HA LYS 118 HA LYS 118 10.183 -8.942 5.687 916 HB2 LYS 118 2HB LYS 118 13.101 -8.137 6.137 917 HB3 LYS 118 3HB LYS 118 12.195 -9.287 7.112 918 HG2 LYS 118 2HG LYS 118 12.946 -9.613 4.197 919 HG3 LYS 118 3HG LYS 118 13.714 -10.428 5.568 920 HD2 LYS 118 2HD LYS 118 11.626 -11.624 6.062 921 HD3 LYS 118 3HD LYS 118 10.785 -10.734 4.788 922 HE2 LYS 118 2HE LYS 118 12.231 -11.761 3.097 923 HE3 LYS 118 3HE LYS 118 13.089 -12.642 4.359 924 HZ1 LYS 118 3HZ LYS 118 11.067 -13.833 4.903 925 HZ2 LYS 118 1HZ LYS 118 11.367 -13.995 3.246 926 HZ3 LYS 118 2HZ LYS 118 10.177 -12.925 3.790 927 H ARG 119 H ARG 119 9.457 -8.362 7.654 928 HA ARG 119 HA ARG 119 9.708 -5.545 8.502 929 HB2 ARG 119 2HB ARG 119 7.891 -5.998 10.118 930 HB3 ARG 119 3HB ARG 119 7.409 -6.309 8.459 931 HG2 ARG 119 2HG ARG 119 7.646 -8.760 8.882 932 HG3 ARG 119 3HG ARG 119 8.060 -8.404 10.560 933 HD2 ARG 119 2HD ARG 119 5.838 -7.255 10.813 934 HD3 ARG 119 3HD ARG 119 5.432 -7.753 9.167 935 HE ARG 119 HE ARG 119 6.116 -10.045 10.649 936 HH11 ARG 119 1HH1 ARG 119 3.528 -7.653 10.515 937 HH12 ARG 119 2HH1 ARG 119 2.332 -8.731 11.155 938 HH21 ARG 119 1HH2 ARG 119 4.524 -11.416 11.572 939 HH22 ARG 119 2HH2 ARG 119 2.892 -10.849 11.750 940 H LYS 120 H LYS 120 10.860 -8.668 9.109 941 HA LYS 120 HA LYS 120 13.160 -7.881 10.441 942 HB2 LYS 120 2HB LYS 120 12.810 -9.097 12.667 943 HB3 LYS 120 3HB LYS 120 11.979 -7.560 12.493 944 HG2 LYS 120 2HG LYS 120 9.898 -8.945 11.833 945 HG3 LYS 120 3HG LYS 120 10.790 -10.344 12.442 946 HD2 LYS 120 2HD LYS 120 9.294 -9.435 14.183 947 HD3 LYS 120 3HD LYS 120 10.983 -9.263 14.669 948 HE2 LYS 120 2HE LYS 120 10.898 -6.882 13.852 949 HE3 LYS 120 3HE LYS 120 9.172 -7.092 13.564 950 HZ1 LYS 120 3HZ LYS 120 8.849 -7.503 15.908 951 HZ2 LYS 120 1HZ LYS 120 9.643 -6.032 15.703 952 HZ3 LYS 120 2HZ LYS 120 10.502 -7.394 16.207 953 H VAL 121 H VAL 121 14.056 -10.274 11.569 954 HA VAL 121 HA VAL 121 14.543 -11.910 9.348 955 HB VAL 121 HB VAL 121 14.743 -12.674 12.301 956 HG11 VAL 121 1HG1 VAL 121 14.662 -14.715 10.936 957 HG12 VAL 121 2HG1 VAL 121 16.282 -14.490 11.591 958 HG13 VAL 121 3HG1 VAL 121 15.954 -14.108 9.898 959 HG21 VAL 121 3HG2 VAL 121 16.153 -10.745 11.700 960 HG22 VAL 121 1HG2 VAL 121 16.887 -11.667 10.385 961 HG23 VAL 121 2HG2 VAL 121 17.148 -12.154 12.063 962 H THR 122 H THR 122 12.256 -12.477 12.059 963 HA THR 122 HA THR 122 10.877 -14.607 10.674 964 HB THR 122 HB THR 122 10.947 -14.763 13.084 965 HG1 THR 122 HG1 THR 122 9.074 -15.649 12.847 966 HG21 THR 122 3HG2 THR 122 9.431 -12.131 13.280 967 HG22 THR 122 1HG2 THR 122 11.126 -12.381 13.717 968 HG23 THR 122 2HG2 THR 122 9.852 -13.193 14.625 969 H SER 123 H SER 123 10.092 -13.834 8.738 970 HA SER 123 HA SER 123 7.686 -12.166 8.879 971 HB2 SER 123 2HB SER 123 9.932 -11.569 6.923 972 HB3 SER 123 3HB SER 123 8.334 -10.828 6.881 973 HG SER 123 HG SER 123 10.092 -10.695 9.104 974 H VAL 124 H VAL 124 6.840 -14.273 8.737 975 HA VAL 124 HA VAL 124 6.496 -15.283 5.961 976 HB VAL 124 HB VAL 124 6.309 -16.979 8.521 977 HG11 VAL 124 1HG1 VAL 124 6.278 -17.845 5.599 978 HG12 VAL 124 2HG1 VAL 124 4.898 -17.830 6.700 979 HG13 VAL 124 3HG1 VAL 124 6.246 -18.928 6.997 980 HG21 VAL 124 3HG2 VAL 124 8.589 -16.930 6.510 981 HG22 VAL 124 1HG2 VAL 124 8.437 -18.047 7.871 982 HG23 VAL 124 2HG2 VAL 124 8.648 -16.319 8.164 983 H SER 125 H SER 125 4.288 -15.943 5.506 984 HA SER 125 HA SER 125 2.241 -14.350 6.617 985 HB2 SER 125 2HB SER 125 1.956 -16.887 4.949 986 HB3 SER 125 3HB SER 125 0.747 -15.611 5.131 987 HG SER 125 HG SER 125 3.252 -15.505 3.813 Start of MODEL 13 1 H1 MET 1 1H MET 1 16.258 -53.490 12.784 2 H2 MET 1 2H MET 1 17.487 -52.333 12.669 3 H3 MET 1 3H MET 1 17.603 -53.575 13.809 4 HA MET 1 HA MET 1 19.044 -53.898 11.893 5 HB2 MET 1 2HB MET 1 18.336 -56.289 11.454 6 HB3 MET 1 3HB MET 1 18.449 -55.851 13.148 7 HG2 MET 1 2HG MET 1 16.014 -55.704 13.306 8 HG3 MET 1 3HG MET 1 15.862 -56.045 11.585 9 HE1 MET 1 3HE MET 1 17.428 -59.153 14.641 10 HE2 MET 1 1HE MET 1 16.967 -57.511 15.088 11 HE3 MET 1 2HE MET 1 18.407 -57.788 14.105 12 H GLY 2 H GLY 2 18.816 -52.390 10.242 13 HA2 GLY 2 2HA GLY 2 18.362 -51.677 8.110 14 HA3 GLY 2 3HA GLY 2 17.634 -53.248 7.797 15 H HIS 3 H HIS 3 16.831 -50.624 10.049 16 HA HIS 3 HA HIS 3 14.002 -50.763 9.441 17 HB2 HIS 3 2HB HIS 3 14.800 -50.374 11.777 18 HB3 HIS 3 3HB HIS 3 15.538 -48.859 11.277 19 HD1 HIS 3 HD1 HIS 3 12.306 -50.387 12.244 20 HD2 HIS 3 HD2 HIS 3 13.642 -46.752 10.749 21 HE1 HIS 3 HE1 HIS 3 10.406 -48.787 12.571 22 HE2 HIS 3 HE2 HIS 3 11.160 -46.681 11.422 23 H HIS 4 H HIS 4 13.658 -50.043 7.391 24 HA HIS 4 HA HIS 4 14.803 -47.660 6.269 25 HB2 HIS 4 2HB HIS 4 12.488 -49.432 5.375 26 HB3 HIS 4 3HB HIS 4 13.018 -48.017 4.468 27 HD1 HIS 4 HD1 HIS 4 13.968 -49.122 2.431 28 HD2 HIS 4 HD2 HIS 4 15.454 -50.781 5.932 29 HE1 HIS 4 HE1 HIS 4 15.782 -50.697 1.714 30 HE2 HIS 4 HE2 HIS 4 16.492 -51.848 3.836 31 H HIS 5 H HIS 5 14.085 -45.632 6.424 32 HA HIS 5 HA HIS 5 11.786 -45.020 8.157 33 HB2 HIS 5 2HB HIS 5 13.983 -43.206 7.047 34 HB3 HIS 5 3HB HIS 5 12.730 -42.706 8.179 35 HD1 HIS 5 HD1 HIS 5 13.367 -42.830 10.576 36 HD2 HIS 5 HD2 HIS 5 15.716 -45.327 8.238 37 HE1 HIS 5 HE1 HIS 5 15.125 -43.741 12.112 38 HE2 HIS 5 HE2 HIS 5 16.512 -45.279 10.681 39 H HIS 6 H HIS 6 10.066 -43.763 7.481 40 HA HIS 6 HA HIS 6 9.262 -43.878 4.736 41 HB2 HIS 6 2HB HIS 6 8.023 -42.338 7.064 42 HB3 HIS 6 3HB HIS 6 7.232 -42.683 5.531 43 HD1 HIS 6 HD1 HIS 6 7.436 -43.889 8.888 44 HD2 HIS 6 HD2 HIS 6 6.967 -45.658 5.160 45 HE1 HIS 6 HE1 HIS 6 6.473 -46.161 9.339 46 HE2 HIS 6 HE2 HIS 6 6.385 -47.270 7.086 47 H HIS 7 H HIS 7 9.882 -42.469 3.158 48 HA HIS 7 HA HIS 7 11.403 -40.107 3.819 49 HB2 HIS 7 2HB HIS 7 11.796 -39.879 1.379 50 HB3 HIS 7 3HB HIS 7 12.191 -41.478 1.978 51 HD1 HIS 7 HD1 HIS 7 10.580 -43.448 1.212 52 HD2 HIS 7 HD2 HIS 7 9.925 -39.809 -0.672 53 HE1 HIS 7 HE1 HIS 7 9.184 -43.970 -0.799 54 HE2 HIS 7 HE2 HIS 7 8.718 -41.733 -1.871 55 H HIS 8 H HIS 8 9.929 -38.784 4.866 56 HA HIS 8 HA HIS 8 7.788 -37.492 3.300 57 HB2 HIS 8 2HB HIS 8 8.572 -37.087 6.229 58 HB3 HIS 8 3HB HIS 8 7.160 -36.397 5.434 59 HD1 HIS 8 HD1 HIS 8 5.370 -38.264 4.544 60 HD2 HIS 8 HD2 HIS 8 8.094 -39.487 7.427 61 HE1 HIS 8 HE1 HIS 8 4.419 -40.373 5.516 62 HE2 HIS 8 HE2 HIS 8 5.968 -40.935 7.423 63 H SER 9 H SER 9 10.989 -37.222 3.473 64 HA SER 9 HA SER 9 11.442 -34.428 3.964 65 HB2 SER 9 2HB SER 9 13.791 -35.070 3.172 66 HB3 SER 9 3HB SER 9 13.182 -35.983 4.552 67 HG SER 9 HG SER 9 13.336 -36.811 1.844 68 H HIS 10 H HIS 10 9.989 -33.478 2.446 69 HA HIS 10 HA HIS 10 10.462 -33.703 -0.415 70 HB2 HIS 10 2HB HIS 10 8.172 -33.292 0.451 71 HB3 HIS 10 3HB HIS 10 8.705 -31.782 1.182 72 HD1 HIS 10 HD1 HIS 10 7.910 -29.844 -0.178 73 HD2 HIS 10 HD2 HIS 10 8.842 -33.116 -2.583 74 HE1 HIS 10 HE1 HIS 10 7.449 -29.118 -2.538 75 HE2 HIS 10 HE2 HIS 10 8.012 -31.105 -3.968 76 H MET 11 H MET 11 11.265 -31.559 2.239 77 HA MET 11 HA MET 11 12.747 -29.935 2.627 78 HB2 MET 11 2HB MET 11 13.943 -30.636 -0.083 79 HB3 MET 11 3HB MET 11 14.673 -29.519 1.062 80 HG2 MET 11 2HG MET 11 14.901 -31.358 2.699 81 HG3 MET 11 3HG MET 11 14.199 -32.479 1.526 82 HE1 MET 11 3HE MET 11 16.953 -32.414 -1.327 83 HE2 MET 11 1HE MET 11 15.584 -31.306 -1.234 84 HE3 MET 11 2HE MET 11 15.363 -33.015 -0.862 85 H ALA 12 H ALA 12 12.198 -29.551 -0.895 86 HA ALA 12 HA ALA 12 11.928 -26.804 -1.054 87 HB1 ALA 12 3HB ALA 12 10.770 -27.206 -3.200 88 HB2 ALA 12 1HB ALA 12 10.517 -28.895 -2.748 89 HB3 ALA 12 2HB ALA 12 12.152 -28.288 -3.014 90 H GLY 13 H GLY 13 9.994 -25.490 -1.491 91 HA2 GLY 13 2HA GLY 13 7.452 -26.327 -0.341 92 HA3 GLY 13 3HA GLY 13 8.342 -25.120 0.579 93 HA PRO 14 HA PRO 14 5.681 -22.887 -2.598 94 HB2 PRO 14 2HB PRO 14 4.539 -21.466 -0.246 95 HB3 PRO 14 3HB PRO 14 3.696 -22.368 -1.519 96 HG2 PRO 14 2HG PRO 14 3.834 -23.294 1.015 97 HG3 PRO 14 3HG PRO 14 3.824 -24.380 -0.395 98 HD2 PRO 14 2HD PRO 14 6.188 -23.460 1.250 99 HD3 PRO 14 3HD PRO 14 5.793 -25.096 0.665 100 H SER 15 H SER 15 5.424 -20.412 -2.706 101 HA SER 15 HA SER 15 7.915 -19.106 -2.641 102 HB2 SER 15 2HB SER 15 6.105 -18.419 -4.165 103 HB3 SER 15 3HB SER 15 5.099 -17.951 -2.799 104 HG SER 15 HG SER 15 7.466 -16.724 -3.745 105 H ASN 16 H ASN 16 8.553 -17.220 -1.357 106 HA ASN 16 HA ASN 16 7.902 -17.603 1.496 107 HB2 ASN 16 2HB ASN 16 10.170 -16.033 0.196 108 HB3 ASN 16 3HB ASN 16 9.970 -16.312 1.925 109 HD21 ASN 16 1HD2 ASN 16 10.882 -17.752 -1.130 110 HD22 ASN 16 2HD2 ASN 16 11.552 -19.199 -0.463 111 H VAL 17 H VAL 17 6.770 -15.715 -0.945 112 HA VAL 17 HA VAL 17 6.750 -13.072 -0.059 113 HB VAL 17 HB VAL 17 4.706 -14.593 -1.731 114 HG11 VAL 17 1HG1 VAL 17 3.558 -12.641 -0.792 115 HG12 VAL 17 2HG1 VAL 17 3.867 -12.378 -2.508 116 HG13 VAL 17 3HG1 VAL 17 4.878 -11.584 -1.299 117 HG21 VAL 17 3HG2 VAL 17 6.960 -14.438 -2.741 118 HG22 VAL 17 1HG2 VAL 17 6.927 -12.681 -2.570 119 HG23 VAL 17 2HG2 VAL 17 5.792 -13.486 -3.659 120 HA PRO 18 HA PRO 18 4.062 -13.453 3.670 121 HB2 PRO 18 2HB PRO 18 4.320 -10.450 3.493 122 HB3 PRO 18 3HB PRO 18 4.580 -11.526 4.885 123 HG2 PRO 18 2HG PRO 18 6.664 -10.450 3.655 124 HG3 PRO 18 3HG PRO 18 6.722 -12.151 4.185 125 HD2 PRO 18 2HD PRO 18 6.219 -11.062 1.406 126 HD3 PRO 18 3HD PRO 18 7.258 -12.419 1.909 127 H ALA 19 H ALA 19 1.879 -13.365 3.847 128 HA ALA 19 HA ALA 19 0.199 -13.065 1.670 129 HB1 ALA 19 3HB ALA 19 -0.588 -12.936 4.598 130 HB2 ALA 19 1HB ALA 19 -0.358 -14.415 3.660 131 HB3 ALA 19 2HB ALA 19 -1.663 -13.302 3.246 132 H PHE 20 H PHE 20 0.827 -10.709 4.301 133 HA PHE 20 HA PHE 20 -0.887 -8.663 3.615 134 HB2 PHE 20 2HB PHE 20 0.524 -8.602 5.643 135 HB3 PHE 20 3HB PHE 20 1.976 -8.449 4.662 136 HD1 PHE 20 HD2 PHE 20 -1.035 -6.680 5.896 137 HD2 PHE 20 HD1 PHE 20 2.606 -6.290 3.674 138 HE1 PHE 20 HE2 PHE 20 -1.258 -4.230 5.932 139 HE2 PHE 20 HE1 PHE 20 2.371 -3.853 3.720 140 HZ PHE 20 HZ PHE 20 0.441 -2.818 4.840 141 H LEU 21 H LEU 21 2.300 -9.424 2.166 142 HA LEU 21 HA LEU 21 2.426 -6.966 0.666 143 HB2 LEU 21 2HB LEU 21 4.194 -9.426 0.682 144 HB3 LEU 21 3HB LEU 21 4.502 -8.037 -0.357 145 HG LEU 21 HG LEU 21 4.506 -8.020 2.688 146 HD11 LEU 21 1HD1 LEU 21 6.907 -7.621 2.462 147 HD12 LEU 21 2HD1 LEU 21 6.780 -7.777 0.708 148 HD13 LEU 21 3HD1 LEU 21 6.437 -9.160 1.749 149 HD21 LEU 21 3HD2 LEU 21 3.699 -5.862 1.839 150 HD22 LEU 21 1HD2 LEU 21 5.088 -5.742 0.752 151 HD23 LEU 21 2HD2 LEU 21 5.321 -5.696 2.504 152 H THR 22 H THR 22 1.584 -10.357 -0.094 153 HA THR 22 HA THR 22 1.444 -9.924 -2.929 154 HB THR 22 HB THR 22 1.703 -12.199 -1.959 155 HG1 THR 22 HG1 THR 22 -0.607 -11.897 -3.606 156 HG21 THR 22 3HG2 THR 22 -0.228 -13.457 -1.131 157 HG22 THR 22 1HG2 THR 22 -1.242 -12.016 -1.245 158 HG23 THR 22 2HG2 THR 22 0.086 -12.072 -0.085 159 H LYS 23 H LYS 23 -0.896 -9.633 -0.270 160 HA LYS 23 HA LYS 23 -3.171 -9.088 -1.910 161 HB2 LYS 23 2HB LYS 23 -2.615 -8.555 1.028 162 HB3 LYS 23 3HB LYS 23 -4.150 -8.139 0.276 163 HG2 LYS 23 2HG LYS 23 -3.076 -10.977 0.225 164 HG3 LYS 23 3HG LYS 23 -3.986 -10.359 1.598 165 HD2 LYS 23 2HD LYS 23 -5.581 -11.508 0.266 166 HD3 LYS 23 3HD LYS 23 -5.872 -9.801 -0.059 167 HE2 LYS 23 2HE LYS 23 -4.679 -10.009 -2.213 168 HE3 LYS 23 3HE LYS 23 -4.306 -11.695 -1.853 169 HZ1 LYS 23 3HZ LYS 23 -6.197 -11.410 -3.354 170 HZ2 LYS 23 1HZ LYS 23 -7.040 -10.597 -2.140 171 HZ3 LYS 23 2HZ LYS 23 -6.625 -12.223 -1.937 172 H LEU 24 H LEU 24 -0.830 -7.032 -0.200 173 HA LEU 24 HA LEU 24 -1.821 -4.505 -0.877 174 HB2 LEU 24 2HB LEU 24 -0.048 -4.843 0.792 175 HB3 LEU 24 3HB LEU 24 1.052 -5.408 -0.454 176 HG LEU 24 HG LEU 24 0.996 -3.113 -1.502 177 HD11 LEU 24 1HD1 LEU 24 -0.586 -2.331 0.961 178 HD12 LEU 24 2HD1 LEU 24 -1.176 -2.354 -0.704 179 HD13 LEU 24 3HD1 LEU 24 0.089 -1.221 -0.237 180 HD21 LEU 24 3HD2 LEU 24 2.825 -3.742 -0.003 181 HD22 LEU 24 1HD2 LEU 24 1.900 -3.177 1.392 182 HD23 LEU 24 2HD2 LEU 24 2.436 -2.031 0.159 183 H TRP 25 H TRP 25 0.608 -6.493 -2.580 184 HA TRP 25 HA TRP 25 1.255 -4.898 -4.734 185 HB2 TRP 25 2HB TRP 25 2.419 -6.967 -4.079 186 HB3 TRP 25 3HB TRP 25 1.026 -7.931 -4.537 187 HD1 TRP 25 HD1 TRP 25 3.967 -5.970 -6.101 188 HE1 TRP 25 HE1 TRP 25 4.338 -6.871 -8.479 189 HE3 TRP 25 HE3 TRP 25 -0.152 -8.985 -6.477 190 HZ2 TRP 25 HZ2 TRP 25 3.033 -8.612 -10.292 191 HZ3 TRP 25 HZ3 TRP 25 -0.527 -10.225 -8.566 192 HH2 TRP 25 HH2 TRP 25 1.036 -10.040 -10.439 193 H THR 26 H THR 26 -1.271 -7.414 -4.593 194 HA THR 26 HA THR 26 -2.434 -6.987 -7.130 195 HB THR 26 HB THR 26 -3.668 -8.174 -4.597 196 HG1 THR 26 HG1 THR 26 -2.285 -9.410 -6.765 197 HG21 THR 26 3HG2 THR 26 -5.433 -7.689 -6.250 198 HG22 THR 26 1HG2 THR 26 -5.164 -9.431 -6.133 199 HG23 THR 26 2HG2 THR 26 -4.510 -8.527 -7.501 200 H LEU 27 H LEU 27 -3.051 -5.523 -3.966 201 HA LEU 27 HA LEU 27 -5.530 -4.274 -4.432 202 HB2 LEU 27 2HB LEU 27 -4.737 -4.639 -2.195 203 HB3 LEU 27 3HB LEU 27 -3.239 -3.784 -2.503 204 HG LEU 27 HG LEU 27 -4.458 -1.635 -2.568 205 HD11 LEU 27 1HD1 LEU 27 -6.800 -1.487 -1.982 206 HD12 LEU 27 2HD1 LEU 27 -6.920 -3.244 -1.881 207 HD13 LEU 27 3HD1 LEU 27 -6.597 -2.463 -3.431 208 HD21 LEU 27 3HD2 LEU 27 -5.059 -3.240 -0.059 209 HD22 LEU 27 1HD2 LEU 27 -4.999 -1.477 -0.190 210 HD23 LEU 27 2HD2 LEU 27 -3.534 -2.428 -0.426 211 H VAL 28 H VAL 28 -2.234 -2.987 -4.542 212 HA VAL 28 HA VAL 28 -2.711 -0.360 -5.347 213 HB VAL 28 HB VAL 28 -0.300 -2.176 -5.849 214 HG11 VAL 28 1HG1 VAL 28 -0.443 0.849 -6.043 215 HG12 VAL 28 2HG1 VAL 28 -0.209 -0.272 -7.385 216 HG13 VAL 28 3HG1 VAL 28 1.034 -0.118 -6.143 217 HG21 VAL 28 3HG2 VAL 28 0.702 -1.092 -3.867 218 HG22 VAL 28 1HG2 VAL 28 -0.826 -1.871 -3.446 219 HG23 VAL 28 2HG2 VAL 28 -0.756 -0.121 -3.646 220 H SER 29 H SER 29 -2.479 -3.329 -7.190 221 HA SER 29 HA SER 29 -2.350 -1.991 -9.788 222 HB2 SER 29 2HB SER 29 -1.930 -4.282 -10.656 223 HB3 SER 29 3HB SER 29 -0.813 -3.866 -9.358 224 HG SER 29 HG SER 29 -2.064 -5.109 -7.955 225 H ASP 30 H ASP 30 -4.859 -2.691 -7.788 226 HA ASP 30 HA ASP 30 -6.604 -4.049 -9.699 227 HB2 ASP 30 2HB ASP 30 -6.559 -4.690 -7.266 228 HB3 ASP 30 3HB ASP 30 -7.208 -3.098 -6.868 229 HA PRO 31 HA PRO 31 -8.342 -0.188 -11.295 230 HB2 PRO 31 2HB PRO 31 -10.615 -1.191 -12.507 231 HB3 PRO 31 3HB PRO 31 -8.982 -1.421 -13.168 232 HG2 PRO 31 2HG PRO 31 -10.604 -3.316 -11.477 233 HG3 PRO 31 3HG PRO 31 -9.707 -3.641 -12.982 234 HD2 PRO 31 2HD PRO 31 -8.636 -4.253 -10.587 235 HD3 PRO 31 3HD PRO 31 -7.618 -3.625 -11.905 236 H ASP 32 H ASP 32 -10.387 -2.297 -9.279 237 HA ASP 32 HA ASP 32 -12.555 -0.437 -8.954 238 HB2 ASP 32 2HB ASP 32 -12.973 -2.833 -8.712 239 HB3 ASP 32 3HB ASP 32 -11.804 -2.954 -7.404 240 H THR 33 H THR 33 -9.605 -1.135 -7.199 241 HA THR 33 HA THR 33 -10.328 0.721 -5.004 242 HB THR 33 HB THR 33 -8.226 -0.265 -3.904 243 HG1 THR 33 HG1 THR 33 -7.104 -1.276 -5.458 244 HG21 THR 33 3HG2 THR 33 -10.489 -2.200 -4.540 245 HG22 THR 33 1HG2 THR 33 -10.486 -1.000 -3.244 246 HG23 THR 33 2HG2 THR 33 -9.349 -2.346 -3.199 247 H ASP 34 H ASP 34 -8.897 0.881 -7.956 248 HA ASP 34 HA ASP 34 -6.454 2.173 -7.713 249 HB2 ASP 34 2HB ASP 34 -7.348 1.335 -9.846 250 HB3 ASP 34 3HB ASP 34 -8.616 2.552 -9.823 251 H ALA 35 H ALA 35 -9.683 3.486 -7.320 252 HA ALA 35 HA ALA 35 -9.149 6.244 -7.537 253 HB1 ALA 35 3HB ALA 35 -11.325 6.553 -6.434 254 HB2 ALA 35 1HB ALA 35 -11.327 4.854 -5.948 255 HB3 ALA 35 2HB ALA 35 -11.411 5.283 -7.658 256 H LEU 36 H LEU 36 -8.827 4.018 -4.794 257 HA LEU 36 HA LEU 36 -8.093 6.258 -2.991 258 HB2 LEU 36 2HB LEU 36 -9.143 3.483 -2.303 259 HB3 LEU 36 3HB LEU 36 -8.650 4.691 -1.123 260 HG LEU 36 HG LEU 36 -11.021 4.890 -3.028 261 HD11 LEU 36 1HD1 LEU 36 -12.397 4.811 -1.023 262 HD12 LEU 36 2HD1 LEU 36 -10.963 4.657 -0.007 263 HD13 LEU 36 3HD1 LEU 36 -11.392 3.369 -1.139 264 HD21 LEU 36 3HD2 LEU 36 -10.038 7.110 -2.754 265 HD22 LEU 36 1HD2 LEU 36 -10.058 6.936 -0.995 266 HD23 LEU 36 2HD2 LEU 36 -11.574 7.011 -1.900 267 H ILE 37 H ILE 37 -6.790 3.641 -4.728 268 HA ILE 37 HA ILE 37 -4.175 4.245 -3.687 269 HB ILE 37 HB ILE 37 -4.861 2.577 -2.023 270 HG12 ILE 37 2HG1 ILE 37 -2.800 1.348 -3.913 271 HG13 ILE 37 3HG1 ILE 37 -2.467 2.653 -2.779 272 HG21 ILE 37 1HG2 ILE 37 -6.546 1.351 -3.329 273 HG22 ILE 37 2HG2 ILE 37 -5.394 0.257 -2.566 274 HG23 ILE 37 3HG2 ILE 37 -5.264 0.605 -4.290 275 HD11 ILE 37 3HD1 ILE 37 -1.701 0.543 -1.896 276 HD12 ILE 37 1HD1 ILE 37 -3.312 -0.156 -2.052 277 HD13 ILE 37 2HD1 ILE 37 -3.025 1.158 -0.908 278 H CYS 38 H CYS 38 -2.936 4.398 -5.423 279 HA CYS 38 HA CYS 38 -3.258 2.582 -7.732 280 HB2 CYS 38 2HB CYS 38 -3.033 4.617 -9.226 281 HB3 CYS 38 3HB CYS 38 -4.538 4.559 -8.316 282 HG CYS 38 HG CYS 38 -4.314 6.960 -7.485 283 H TRP 39 H TRP 39 -1.323 2.204 -8.877 284 HA TRP 39 HA TRP 39 1.146 2.605 -7.467 285 HB2 TRP 39 2HB TRP 39 2.172 1.595 -9.656 286 HB3 TRP 39 3HB TRP 39 1.138 0.579 -8.672 287 HD1 TRP 39 HD1 TRP 39 -1.090 -0.336 -9.752 288 HE1 TRP 39 HE1 TRP 39 -2.039 -0.312 -12.138 289 HE3 TRP 39 HE3 TRP 39 2.034 3.148 -11.859 290 HZ2 TRP 39 HZ2 TRP 39 -1.562 1.000 -14.568 291 HZ3 TRP 39 HZ3 TRP 39 1.711 3.726 -14.232 292 HH2 TRP 39 HH2 TRP 39 -0.055 2.670 -15.556 293 H SER 40 H SER 40 2.927 3.878 -8.038 294 HA SER 40 HA SER 40 2.427 6.313 -9.519 295 HB2 SER 40 2HB SER 40 4.998 5.264 -8.240 296 HB3 SER 40 3HB SER 40 4.692 6.922 -8.757 297 HG SER 40 HG SER 40 4.412 6.400 -6.448 298 HA PRO 41 HA PRO 41 3.979 4.863 -13.498 299 HB2 PRO 41 2HB PRO 41 5.421 7.110 -14.376 300 HB3 PRO 41 3HB PRO 41 3.662 6.901 -14.518 301 HG2 PRO 41 2HG PRO 41 5.222 8.408 -12.448 302 HG3 PRO 41 3HG PRO 41 3.698 8.843 -13.255 303 HD2 PRO 41 2HD PRO 41 3.706 7.877 -10.736 304 HD3 PRO 41 3HD PRO 41 2.407 7.455 -11.875 305 H SER 42 H SER 42 6.250 6.031 -11.099 306 HA SER 42 HA SER 42 8.663 5.022 -12.206 307 HB2 SER 42 2HB SER 42 7.861 5.407 -9.289 308 HB3 SER 42 3HB SER 42 9.508 5.096 -9.850 309 HG SER 42 HG SER 42 9.173 7.038 -11.180 310 H GLY 43 H GLY 43 6.066 3.540 -10.327 311 HA2 GLY 43 2HA GLY 43 5.434 1.343 -10.125 312 HA3 GLY 43 3HA GLY 43 6.834 0.860 -11.068 313 H ASN 44 H ASN 44 8.008 2.779 -8.675 314 HA ASN 44 HA ASN 44 8.853 0.494 -7.002 315 HB2 ASN 44 2HB ASN 44 9.989 3.325 -7.249 316 HB3 ASN 44 3HB ASN 44 10.606 2.097 -6.154 317 HD21 ASN 44 1HD2 ASN 44 9.644 1.591 -9.565 318 HD22 ASN 44 2HD2 ASN 44 11.232 1.198 -10.101 319 H SER 45 H SER 45 6.320 2.492 -6.992 320 HA SER 45 HA SER 45 6.037 2.802 -4.159 321 HB2 SER 45 2HB SER 45 5.801 5.333 -4.321 322 HB3 SER 45 3HB SER 45 7.448 4.749 -4.538 323 HG SER 45 HG SER 45 7.129 6.175 -6.156 324 H PHE 46 H PHE 46 3.961 3.952 -3.676 325 HA PHE 46 HA PHE 46 1.979 4.175 -5.812 326 HB2 PHE 46 2HB PHE 46 0.340 2.710 -4.669 327 HB3 PHE 46 3HB PHE 46 1.758 1.819 -5.191 328 HD1 PHE 46 HD2 PHE 46 3.411 0.988 -3.501 329 HD2 PHE 46 HD1 PHE 46 -0.247 2.856 -2.302 330 HE1 PHE 46 HE2 PHE 46 3.645 0.025 -1.255 331 HE2 PHE 46 HE1 PHE 46 0.005 1.884 -0.058 332 HZ PHE 46 HZ PHE 46 1.946 0.468 0.469 333 H HIS 47 H HIS 47 0.119 5.334 -5.174 334 HA HIS 47 HA HIS 47 0.437 7.052 -2.795 335 HB2 HIS 47 2HB HIS 47 -1.144 7.453 -5.374 336 HB3 HIS 47 3HB HIS 47 -1.297 8.510 -3.974 337 HD1 HIS 47 HD1 HIS 47 0.230 10.445 -3.933 338 HD2 HIS 47 HD2 HIS 47 1.625 7.475 -6.453 339 HE1 HIS 47 HE1 HIS 47 2.197 11.436 -5.099 340 HE2 HIS 47 HE2 HIS 47 3.160 9.538 -6.424 341 H VAL 48 H VAL 48 -1.226 7.253 -1.358 342 HA VAL 48 HA VAL 48 -3.565 5.462 -1.545 343 HB VAL 48 HB VAL 48 -1.980 6.126 1.000 344 HG11 VAL 48 1HG1 VAL 48 -4.404 6.044 1.480 345 HG12 VAL 48 2HG1 VAL 48 -3.599 4.636 2.173 346 HG13 VAL 48 3HG1 VAL 48 -4.526 4.472 0.682 347 HG21 VAL 48 3HG2 VAL 48 -1.521 3.694 1.113 348 HG22 VAL 48 1HG2 VAL 48 -0.876 4.395 -0.374 349 HG23 VAL 48 2HG2 VAL 48 -2.372 3.458 -0.417 350 H PHE 49 H PHE 49 -5.369 6.595 -1.509 351 HA PHE 49 HA PHE 49 -5.368 9.437 -0.732 352 HB2 PHE 49 2HB PHE 49 -7.135 7.903 -2.690 353 HB3 PHE 49 3HB PHE 49 -7.384 9.585 -2.240 354 HD1 PHE 49 HD1 PHE 49 -5.116 7.252 -4.036 355 HD2 PHE 49 HD2 PHE 49 -6.037 11.345 -3.176 356 HE1 PHE 49 HE1 PHE 49 -3.598 7.978 -5.827 357 HE2 PHE 49 HE2 PHE 49 -4.525 12.056 -4.961 358 HZ PHE 49 HZ PHE 49 -3.301 10.379 -6.292 359 H ASP 50 H ASP 50 -6.931 10.201 0.601 360 HA ASP 50 HA ASP 50 -8.519 10.325 2.198 361 HB2 ASP 50 2HB ASP 50 -9.837 8.356 0.276 362 HB3 ASP 50 3HB ASP 50 -10.713 9.144 1.589 363 H GLN 51 H GLN 51 -6.816 9.150 3.557 364 HA GLN 51 HA GLN 51 -6.686 6.421 4.022 365 HB2 GLN 51 2HB GLN 51 -6.181 8.586 6.093 366 HB3 GLN 51 3HB GLN 51 -5.622 6.916 6.195 367 HG2 GLN 51 2HG GLN 51 -4.246 7.291 4.144 368 HG3 GLN 51 3HG GLN 51 -4.741 8.988 4.157 369 HE21 GLN 51 1HE2 GLN 51 -2.042 7.994 4.355 370 HE22 GLN 51 2HE2 GLN 51 -1.426 8.503 5.888 371 H GLY 52 H GLY 52 -9.023 8.679 5.351 372 HA2 GLY 52 2HA GLY 52 -10.137 7.064 7.401 373 HA3 GLY 52 3HA GLY 52 -10.910 8.428 6.617 374 H GLN 53 H GLN 53 -11.099 7.619 4.005 375 HA GLN 53 HA GLN 53 -13.356 5.840 4.079 376 HB2 GLN 53 2HB GLN 53 -13.220 7.814 2.553 377 HB3 GLN 53 3HB GLN 53 -11.875 7.063 1.707 378 HG2 GLN 53 2HG GLN 53 -13.941 6.834 0.423 379 HG3 GLN 53 3HG GLN 53 -13.361 5.247 0.930 380 HE21 GLN 53 1HE2 GLN 53 -15.424 4.364 0.680 381 HE22 GLN 53 2HE2 GLN 53 -16.719 4.672 1.772 382 H PHE 54 H PHE 54 -10.096 5.672 2.695 383 HA PHE 54 HA PHE 54 -10.005 3.185 1.540 384 HB2 PHE 54 2HB PHE 54 -8.231 4.852 1.269 385 HB3 PHE 54 3HB PHE 54 -7.848 4.796 2.979 386 HD1 PHE 54 HD2 PHE 54 -7.505 3.016 -0.249 387 HD2 PHE 54 HD1 PHE 54 -6.408 3.028 3.891 388 HE1 PHE 54 HE2 PHE 54 -5.767 1.332 -0.682 389 HE2 PHE 54 HE1 PHE 54 -4.670 1.359 3.430 390 HZ PHE 54 HZ PHE 54 -4.348 0.507 1.146 391 H ALA 55 H ALA 55 -9.119 4.022 4.907 392 HA ALA 55 HA ALA 55 -8.551 1.368 5.718 393 HB1 ALA 55 3HB ALA 55 -7.682 3.368 6.866 394 HB2 ALA 55 1HB ALA 55 -8.479 2.262 7.983 395 HB3 ALA 55 2HB ALA 55 -9.302 3.730 7.456 396 H LYS 56 H LYS 56 -11.502 3.178 5.583 397 HA LYS 56 HA LYS 56 -13.058 1.580 7.355 398 HB2 LYS 56 2HB LYS 56 -13.809 3.752 7.216 399 HB3 LYS 56 3HB LYS 56 -13.505 3.896 5.497 400 HG2 LYS 56 2HG LYS 56 -15.783 2.162 6.423 401 HG3 LYS 56 3HG LYS 56 -15.967 3.918 6.483 402 HD2 LYS 56 2HD LYS 56 -15.368 3.991 4.023 403 HD3 LYS 56 3HD LYS 56 -15.370 2.226 4.017 404 HE2 LYS 56 2HE LYS 56 -17.721 4.074 4.534 405 HE3 LYS 56 3HE LYS 56 -17.488 2.995 3.158 406 HZ1 LYS 56 3HZ LYS 56 -17.954 2.167 5.982 407 HZ2 LYS 56 1HZ LYS 56 -17.658 1.110 4.694 408 HZ3 LYS 56 2HZ LYS 56 -19.054 2.057 4.704 409 H GLU 57 H GLU 57 -12.709 1.609 3.780 410 HA GLU 57 HA GLU 57 -14.460 -0.794 3.645 411 HB2 GLU 57 2HB GLU 57 -14.755 -0.277 1.233 412 HB3 GLU 57 3HB GLU 57 -15.355 0.983 2.300 413 HG2 GLU 57 2HG GLU 57 -13.581 2.461 1.746 414 HG3 GLU 57 3HG GLU 57 -12.628 1.172 1.013 415 H VAL 58 H VAL 58 -11.272 0.378 2.523 416 HA VAL 58 HA VAL 58 -10.908 -1.835 0.695 417 HB VAL 58 HB VAL 58 -9.010 0.402 1.542 418 HG11 VAL 58 1HG1 VAL 58 -8.691 -1.623 -0.699 419 HG12 VAL 58 2HG1 VAL 58 -7.703 -1.501 0.757 420 HG13 VAL 58 3HG1 VAL 58 -7.653 -0.216 -0.449 421 HG21 VAL 58 3HG2 VAL 58 -9.526 1.384 -0.695 422 HG22 VAL 58 1HG2 VAL 58 -10.956 1.271 0.335 423 HG23 VAL 58 2HG2 VAL 58 -10.714 0.106 -0.969 424 H LEU 59 H LEU 59 -9.517 -0.827 3.836 425 HA LEU 59 HA LEU 59 -7.600 -2.904 3.971 426 HB2 LEU 59 2HB LEU 59 -8.766 -1.184 6.171 427 HB3 LEU 59 3HB LEU 59 -7.529 -2.396 6.473 428 HG LEU 59 HG LEU 59 -7.260 0.124 4.791 429 HD11 LEU 59 1HD1 LEU 59 -5.829 -0.762 7.311 430 HD12 LEU 59 2HD1 LEU 59 -7.077 0.481 7.200 431 HD13 LEU 59 3HD1 LEU 59 -5.521 0.727 6.409 432 HD21 LEU 59 3HD2 LEU 59 -6.077 -1.648 3.613 433 HD22 LEU 59 1HD2 LEU 59 -5.249 -2.130 5.099 434 HD23 LEU 59 2HD2 LEU 59 -4.920 -0.557 4.369 435 HA PRO 60 HA PRO 60 -10.752 -5.603 6.498 436 HB2 PRO 60 2HB PRO 60 -13.438 -5.017 6.394 437 HB3 PRO 60 3HB PRO 60 -12.363 -4.344 7.641 438 HG2 PRO 60 2HG PRO 60 -13.306 -3.068 5.084 439 HG3 PRO 60 3HG PRO 60 -13.256 -2.387 6.728 440 HD2 PRO 60 2HD PRO 60 -11.321 -1.824 4.918 441 HD3 PRO 60 3HD PRO 60 -10.951 -1.990 6.648 442 H LYS 61 H LYS 61 -11.183 -4.305 3.346 443 HA LYS 61 HA LYS 61 -12.630 -6.529 2.221 444 HB2 LYS 61 2HB LYS 61 -12.637 -4.186 1.284 445 HB3 LYS 61 3HB LYS 61 -10.967 -4.427 0.785 446 HG2 LYS 61 2HG LYS 61 -11.639 -6.205 -0.740 447 HG3 LYS 61 3HG LYS 61 -13.307 -6.096 -0.168 448 HD2 LYS 61 2HD LYS 61 -13.394 -3.732 -1.033 449 HD3 LYS 61 3HD LYS 61 -11.772 -3.954 -1.704 450 HE2 LYS 61 2HE LYS 61 -12.588 -5.723 -3.176 451 HE3 LYS 61 3HE LYS 61 -14.194 -5.637 -2.446 452 HZ1 LYS 61 3HZ LYS 61 -12.863 -3.510 -4.036 453 HZ2 LYS 61 1HZ LYS 61 -14.360 -3.351 -3.265 454 HZ3 LYS 61 2HZ LYS 61 -14.167 -4.466 -4.516 455 H TYR 62 H TYR 62 -9.263 -5.408 1.623 456 HA TYR 62 HA TYR 62 -8.489 -7.970 0.506 457 HB2 TYR 62 2HB TYR 62 -7.006 -5.350 0.933 458 HB3 TYR 62 3HB TYR 62 -6.168 -6.796 0.362 459 HD1 TYR 62 HD2 TYR 62 -9.168 -4.667 -0.435 460 HD2 TYR 62 HD1 TYR 62 -6.094 -7.223 -1.959 461 HE1 TYR 62 HE2 TYR 62 -9.914 -4.201 -2.715 462 HE2 TYR 62 HE1 TYR 62 -6.849 -6.753 -4.254 463 HH TYR 62 HH TYR 62 -8.836 -4.213 -5.041 464 H PHE 63 H PHE 63 -7.815 -6.167 3.436 465 HA PHE 63 HA PHE 63 -6.344 -8.466 4.597 466 HB2 PHE 63 2HB PHE 63 -6.462 -5.596 5.641 467 HB3 PHE 63 3HB PHE 63 -5.356 -6.868 6.145 468 HD1 PHE 63 HD2 PHE 63 -3.606 -7.717 4.460 469 HD2 PHE 63 HD1 PHE 63 -5.896 -4.155 3.815 470 HE1 PHE 63 HE2 PHE 63 -2.004 -6.977 2.747 471 HE2 PHE 63 HE1 PHE 63 -4.287 -3.432 2.104 472 HZ PHE 63 HZ PHE 63 -2.339 -4.842 1.569 473 H LYS 64 H LYS 64 -6.845 -7.957 7.322 474 HA LYS 64 HA LYS 64 -9.782 -8.356 7.551 475 HB2 LYS 64 2HB LYS 64 -7.532 -10.036 8.728 476 HB3 LYS 64 3HB LYS 64 -9.213 -10.173 9.231 477 HG2 LYS 64 2HG LYS 64 -9.902 -11.027 7.113 478 HG3 LYS 64 3HG LYS 64 -8.388 -10.561 6.338 479 HD2 LYS 64 2HD LYS 64 -8.649 -12.717 8.480 480 HD3 LYS 64 3HD LYS 64 -8.587 -13.020 6.739 481 HE2 LYS 64 2HE LYS 64 -6.325 -11.903 6.696 482 HE3 LYS 64 3HE LYS 64 -6.392 -11.812 8.459 483 HZ1 LYS 64 3HZ LYS 64 -5.150 -13.736 7.677 484 HZ2 LYS 64 1HZ LYS 64 -6.513 -14.317 6.864 485 HZ3 LYS 64 2HZ LYS 64 -6.515 -14.209 8.552 486 H HIS 65 H HIS 65 -8.671 -5.932 7.967 487 HA HIS 65 HA HIS 65 -9.330 -5.352 10.722 488 HB2 HIS 65 2HB HIS 65 -7.250 -4.380 11.425 489 HB3 HIS 65 3HB HIS 65 -6.823 -5.951 10.771 490 HD1 HIS 65 HD1 HIS 65 -5.825 -2.509 10.631 491 HD2 HIS 65 HD2 HIS 65 -5.844 -5.667 7.934 492 HE1 HIS 65 HE1 HIS 65 -4.238 -1.848 8.803 493 HE2 HIS 65 HE2 HIS 65 -4.065 -3.893 7.355 494 H ASN 66 H ASN 66 -9.424 -2.926 11.026 495 HA ASN 66 HA ASN 66 -9.870 -1.517 8.447 496 HB2 ASN 66 2HB ASN 66 -11.312 -0.934 11.076 497 HB3 ASN 66 3HB ASN 66 -11.577 -0.137 9.537 498 HD21 ASN 66 1HD2 ASN 66 -13.659 -0.648 9.172 499 HD22 ASN 66 2HD2 ASN 66 -14.255 -2.264 9.010 500 H ASN 67 H ASN 67 -8.073 -1.471 11.395 501 HA ASN 67 HA ASN 67 -7.787 1.369 11.675 502 HB2 ASN 67 2HB ASN 67 -7.502 -0.226 13.570 503 HB3 ASN 67 3HB ASN 67 -6.025 -0.833 12.830 504 HD21 ASN 67 1HD2 ASN 67 -7.530 1.931 14.386 505 HD22 ASN 67 2HD2 ASN 67 -6.056 2.727 14.811 506 H MET 68 H MET 68 -6.720 2.642 10.328 507 HA MET 68 HA MET 68 -4.983 1.799 8.252 508 HB2 MET 68 2HB MET 68 -6.398 3.824 8.069 509 HB3 MET 68 3HB MET 68 -5.455 4.623 9.317 510 HG2 MET 68 2HG MET 68 -4.843 5.422 7.096 511 HG3 MET 68 3HG MET 68 -3.484 4.551 7.821 512 HE1 MET 68 3HE MET 68 -2.446 4.485 5.315 513 HE2 MET 68 1HE MET 68 -3.899 5.268 4.694 514 HE3 MET 68 2HE MET 68 -3.305 3.789 3.939 515 H ALA 69 H ALA 69 -4.394 3.235 11.432 516 HA ALA 69 HA ALA 69 -1.669 3.846 11.203 517 HB1 ALA 69 3HB ALA 69 -1.631 3.822 13.665 518 HB2 ALA 69 1HB ALA 69 -3.193 2.998 13.687 519 HB3 ALA 69 2HB ALA 69 -3.072 4.643 13.059 520 H SER 70 H SER 70 -3.289 0.796 11.977 521 HA SER 70 HA SER 70 -0.994 -0.744 12.631 522 HB2 SER 70 2HB SER 70 -3.275 -1.464 13.254 523 HB3 SER 70 3HB SER 70 -3.701 -1.638 11.552 524 HG SER 70 HG SER 70 -3.123 -3.618 12.545 525 H PHE 71 H PHE 71 -2.676 -0.047 9.596 526 HA PHE 71 HA PHE 71 -1.359 -1.910 7.896 527 HB2 PHE 71 2HB PHE 71 -3.484 -0.951 7.224 528 HB3 PHE 71 3HB PHE 71 -2.863 0.685 7.366 529 HD1 PHE 71 HD1 PHE 71 -2.309 -2.478 5.408 530 HD2 PHE 71 HD2 PHE 71 -2.156 1.802 5.406 531 HE1 PHE 71 HE1 PHE 71 -1.799 -2.484 2.999 532 HE2 PHE 71 HE2 PHE 71 -1.641 1.780 3.003 533 HZ PHE 71 HZ PHE 71 -1.465 -0.360 1.799 534 H VAL 72 H VAL 72 -0.859 1.592 8.427 535 HA VAL 72 HA VAL 72 1.442 1.904 6.834 536 HB VAL 72 HB VAL 72 0.638 3.568 9.271 537 HG11 VAL 72 1HG1 VAL 72 1.939 5.396 8.186 538 HG12 VAL 72 2HG1 VAL 72 2.441 4.273 6.920 539 HG13 VAL 72 3HG1 VAL 72 2.957 4.011 8.587 540 HG21 VAL 72 3HG2 VAL 72 -0.129 3.961 6.350 541 HG22 VAL 72 1HG2 VAL 72 -0.492 5.090 7.661 542 HG23 VAL 72 2HG2 VAL 72 -1.215 3.480 7.655 543 H ARG 73 H ARG 73 0.988 1.012 10.240 544 HA ARG 73 HA ARG 73 3.622 1.024 11.191 545 HB2 ARG 73 2HB ARG 73 1.718 0.713 12.691 546 HB3 ARG 73 3HB ARG 73 1.271 -0.779 11.879 547 HG2 ARG 73 2HG ARG 73 3.473 -1.759 12.705 548 HG3 ARG 73 3HG ARG 73 3.653 -0.306 13.690 549 HD2 ARG 73 2HD ARG 73 2.691 -2.166 14.986 550 HD3 ARG 73 3HD ARG 73 1.557 -0.818 14.859 551 HE ARG 73 HE ARG 73 0.675 -2.263 12.851 552 HH11 ARG 73 1HH1 ARG 73 1.646 -3.453 16.025 553 HH12 ARG 73 2HH1 ARG 73 0.581 -4.821 15.965 554 HH21 ARG 73 1HH2 ARG 73 -0.661 -4.075 12.764 555 HH22 ARG 73 2HH2 ARG 73 -0.726 -5.166 14.105 556 H GLN 74 H GLN 74 1.806 -1.498 9.413 557 HA GLN 74 HA GLN 74 3.779 -3.523 9.455 558 HB2 GLN 74 2HB GLN 74 1.714 -3.024 7.271 559 HB3 GLN 74 3HB GLN 74 2.612 -4.519 7.516 560 HG2 GLN 74 2HG GLN 74 0.477 -3.338 9.303 561 HG3 GLN 74 3HG GLN 74 0.362 -4.796 8.327 562 HE21 GLN 74 1HE2 GLN 74 1.597 -3.399 11.269 563 HE22 GLN 74 2HE2 GLN 74 2.052 -4.886 12.026 564 H LEU 75 H LEU 75 3.073 -0.933 7.111 565 HA LEU 75 HA LEU 75 5.045 -1.557 5.205 566 HB2 LEU 75 2HB LEU 75 3.705 1.094 5.865 567 HB3 LEU 75 3HB LEU 75 4.650 0.792 4.410 568 HG LEU 75 HG LEU 75 2.088 -0.686 5.146 569 HD11 LEU 75 1HD1 LEU 75 1.607 1.642 4.632 570 HD12 LEU 75 2HD1 LEU 75 0.996 0.566 3.379 571 HD13 LEU 75 3HD1 LEU 75 2.469 1.501 3.097 572 HD21 LEU 75 3HD2 LEU 75 3.567 -2.065 3.787 573 HD22 LEU 75 1HD2 LEU 75 3.726 -0.771 2.592 574 HD23 LEU 75 2HD2 LEU 75 2.164 -1.557 2.851 575 H ASN 76 H ASN 76 5.134 0.568 8.058 576 HA ASN 76 HA ASN 76 7.706 1.616 7.859 577 HB2 ASN 76 2HB ASN 76 6.168 0.859 10.383 578 HB3 ASN 76 3HB ASN 76 7.615 1.865 10.363 579 HD21 ASN 76 1HD2 ASN 76 4.917 2.516 11.293 580 HD22 ASN 76 2HD2 ASN 76 4.418 3.899 10.388 581 H MET 77 H MET 77 6.608 -1.514 9.206 582 HA MET 77 HA MET 77 9.162 -2.473 10.021 583 HB2 MET 77 2HB MET 77 6.728 -4.097 9.162 584 HB3 MET 77 3HB MET 77 8.141 -4.750 9.977 585 HG2 MET 77 2HG MET 77 7.593 -3.252 11.926 586 HG3 MET 77 3HG MET 77 6.066 -2.870 11.116 587 HE1 MET 77 3HE MET 77 5.671 -5.886 9.709 588 HE2 MET 77 1HE MET 77 4.320 -4.960 10.364 589 HE3 MET 77 2HE MET 77 4.587 -6.624 10.886 590 H TYR 78 H TYR 78 7.399 -2.586 6.940 591 HA TYR 78 HA TYR 78 9.233 -4.472 5.685 592 HB2 TYR 78 2HB TYR 78 6.723 -3.045 4.726 593 HB3 TYR 78 3HB TYR 78 7.727 -3.980 3.632 594 HD1 TYR 78 HD1 TYR 78 8.230 -6.486 4.416 595 HD2 TYR 78 HD2 TYR 78 4.910 -4.166 5.775 596 HE1 TYR 78 HE1 TYR 78 7.013 -8.546 4.997 597 HE2 TYR 78 HE2 TYR 78 3.707 -6.218 6.362 598 HH TYR 78 HH TYR 78 3.669 -8.540 5.860 599 H GLY 79 H GLY 79 9.485 -1.249 6.361 600 HA2 GLY 79 2HA GLY 79 11.300 0.065 5.857 601 HA3 GLY 79 3HA GLY 79 11.726 -1.015 4.542 602 H PHE 80 H PHE 80 8.486 0.265 4.611 603 HA PHE 80 HA PHE 80 8.909 1.771 2.175 604 HB2 PHE 80 2HB PHE 80 6.432 1.267 3.884 605 HB3 PHE 80 3HB PHE 80 6.408 2.346 2.495 606 HD1 PHE 80 HD1 PHE 80 7.177 -1.204 3.455 607 HD2 PHE 80 HD2 PHE 80 5.963 1.479 0.349 608 HE1 PHE 80 HE1 PHE 80 6.697 -3.116 1.980 609 HE2 PHE 80 HE2 PHE 80 5.493 -0.437 -1.110 610 HZ PHE 80 HZ PHE 80 5.856 -2.732 -0.300 611 H ARG 81 H ARG 81 8.735 3.997 1.989 612 HA ARG 81 HA ARG 81 9.234 5.571 4.435 613 HB2 ARG 81 2HB ARG 81 10.979 5.845 2.826 614 HB3 ARG 81 3HB ARG 81 9.854 5.987 1.496 615 HG2 ARG 81 2HG ARG 81 10.903 8.131 1.929 616 HG3 ARG 81 3HG ARG 81 9.179 8.221 2.272 617 HD2 ARG 81 2HD ARG 81 9.662 8.013 4.688 618 HD3 ARG 81 3HD ARG 81 11.391 7.971 4.337 619 HE ARG 81 HE ARG 81 10.907 10.258 3.238 620 HH11 ARG 81 1HH1 ARG 81 9.291 9.136 6.159 621 HH12 ARG 81 2HH1 ARG 81 9.017 10.734 6.762 622 HH21 ARG 81 1HH2 ARG 81 10.556 12.333 4.049 623 HH22 ARG 81 2HH2 ARG 81 9.737 12.545 5.561 624 H LYS 82 H LYS 82 7.664 6.767 5.223 625 HA LYS 82 HA LYS 82 5.096 7.141 4.019 626 HB2 LYS 82 2HB LYS 82 5.365 6.748 6.442 627 HB3 LYS 82 3HB LYS 82 6.409 8.152 6.587 628 HG2 LYS 82 2HG LYS 82 4.310 8.792 7.481 629 HG3 LYS 82 3HG LYS 82 4.444 9.586 5.911 630 HD2 LYS 82 2HD LYS 82 3.031 7.748 4.933 631 HD3 LYS 82 3HD LYS 82 2.821 7.103 6.566 632 HE2 LYS 82 2HE LYS 82 1.935 9.835 5.576 633 HE3 LYS 82 3HE LYS 82 0.887 8.461 5.928 634 HZ1 LYS 82 3HZ LYS 82 2.561 9.915 7.911 635 HZ2 LYS 82 1HZ LYS 82 1.554 8.600 8.248 636 HZ3 LYS 82 2HZ LYS 82 0.889 10.062 7.730 637 H VAL 83 H VAL 83 4.859 8.657 2.434 638 HA VAL 83 HA VAL 83 6.206 11.296 2.643 639 HB VAL 83 HB VAL 83 5.589 9.674 0.117 640 HG11 VAL 83 1HG1 VAL 83 5.282 12.064 -0.330 641 HG12 VAL 83 2HG1 VAL 83 6.727 11.467 -1.149 642 HG13 VAL 83 3HG1 VAL 83 6.880 12.412 0.333 643 HG21 VAL 83 3HG2 VAL 83 8.028 9.544 -0.212 644 HG22 VAL 83 1HG2 VAL 83 7.563 8.810 1.324 645 HG23 VAL 83 2HG2 VAL 83 8.293 10.417 1.299 646 H VAL 84 H VAL 84 4.779 12.990 2.594 647 HA VAL 84 HA VAL 84 2.030 12.600 1.539 648 HB VAL 84 HB VAL 84 2.839 14.243 3.992 649 HG11 VAL 84 1HG1 VAL 84 0.431 14.812 4.221 650 HG12 VAL 84 2HG1 VAL 84 0.088 13.986 2.699 651 HG13 VAL 84 3HG1 VAL 84 1.098 15.434 2.710 652 HG21 VAL 84 3HG2 VAL 84 1.358 12.718 5.262 653 HG22 VAL 84 1HG2 VAL 84 2.674 11.831 4.489 654 HG23 VAL 84 2HG2 VAL 84 1.049 11.783 3.796 655 H HIS 85 H HIS 85 1.646 13.903 -0.128 656 HA HIS 85 HA HIS 85 3.497 16.121 -0.734 657 HB2 HIS 85 2HB HIS 85 1.416 14.740 -2.483 658 HB3 HIS 85 3HB HIS 85 2.500 16.019 -3.024 659 HD1 HIS 85 HD1 HIS 85 4.991 15.391 -3.401 660 HD2 HIS 85 HD2 HIS 85 2.596 12.185 -2.279 661 HE1 HIS 85 HE1 HIS 85 6.348 13.334 -3.877 662 HE2 HIS 85 HE2 HIS 85 4.780 11.429 -3.414 663 H ILE 86 H ILE 86 0.330 15.625 0.492 664 HA ILE 86 HA ILE 86 -0.950 17.995 -0.464 665 HB ILE 86 HB ILE 86 -1.591 16.335 2.019 666 HG12 ILE 86 2HG1 ILE 86 -1.766 15.032 -0.107 667 HG13 ILE 86 3HG1 ILE 86 -3.330 15.245 0.667 668 HG21 ILE 86 1HG2 ILE 86 -3.832 17.411 1.952 669 HG22 ILE 86 2HG2 ILE 86 -3.295 18.438 0.619 670 HG23 ILE 86 3HG2 ILE 86 -2.546 18.595 2.209 671 HD11 ILE 86 3HD1 ILE 86 -3.486 15.470 -1.731 672 HD12 ILE 86 1HD1 ILE 86 -2.309 16.781 -1.724 673 HD13 ILE 86 2HD1 ILE 86 -3.887 17.002 -0.955 674 H GLU 87 H GLU 87 -0.062 19.917 -0.051 675 HA GLU 87 HA GLU 87 0.426 20.718 2.757 676 HB2 GLU 87 2HB GLU 87 1.922 21.593 0.256 677 HB3 GLU 87 3HB GLU 87 2.046 22.432 1.804 678 HG2 GLU 87 2HG GLU 87 2.861 20.275 2.819 679 HG3 GLU 87 3HG GLU 87 2.889 19.579 1.196 680 H GLN 88 H GLN 88 -1.482 21.632 3.190 681 HA GLN 88 HA GLN 88 -2.991 23.218 1.290 682 HB2 GLN 88 2HB GLN 88 -3.519 22.591 4.235 683 HB3 GLN 88 3HB GLN 88 -4.664 23.373 3.141 684 HG2 GLN 88 2HG GLN 88 -4.774 21.346 1.770 685 HG3 GLN 88 3HG GLN 88 -3.568 20.561 2.789 686 HE21 GLN 88 1HE2 GLN 88 -4.162 19.926 4.902 687 HE22 GLN 88 2HE2 GLN 88 -5.819 19.713 5.353 688 H GLY 89 H GLY 89 -1.851 25.050 0.859 689 HA2 GLY 89 2HA GLY 89 -1.616 27.113 2.928 690 HA3 GLY 89 3HA GLY 89 -0.108 26.567 2.210 691 H GLY 90 H GLY 90 -1.491 26.169 -0.444 692 HA2 GLY 90 2HA GLY 90 -2.803 28.304 -1.523 693 HA3 GLY 90 3HA GLY 90 -1.129 28.846 -1.504 694 H LEU 91 H LEU 91 -1.750 25.462 -1.972 695 HA LEU 91 HA LEU 91 -0.842 25.619 -4.777 696 HB2 LEU 91 2HB LEU 91 -1.014 23.216 -2.907 697 HB3 LEU 91 3HB LEU 91 -0.280 23.235 -4.503 698 HG LEU 91 HG LEU 91 0.758 24.736 -2.058 699 HD11 LEU 91 1HD1 LEU 91 1.874 22.275 -3.434 700 HD12 LEU 91 2HD1 LEU 91 1.113 22.340 -1.842 701 HD13 LEU 91 3HD1 LEU 91 2.639 23.171 -2.117 702 HD21 LEU 91 3HD2 LEU 91 1.262 25.983 -4.096 703 HD22 LEU 91 1HD2 LEU 91 1.964 24.541 -4.840 704 HD23 LEU 91 2HD2 LEU 91 2.727 25.275 -3.426 705 H VAL 92 H VAL 92 -1.954 24.394 -6.404 706 HA VAL 92 HA VAL 92 -4.832 24.098 -5.969 707 HB VAL 92 HB VAL 92 -4.131 25.291 -7.999 708 HG11 VAL 92 1HG1 VAL 92 -1.986 24.183 -8.457 709 HG12 VAL 92 2HG1 VAL 92 -3.008 24.221 -9.894 710 HG13 VAL 92 3HG1 VAL 92 -2.838 22.725 -8.973 711 HG21 VAL 92 3HG2 VAL 92 -5.544 24.124 -9.657 712 HG22 VAL 92 1HG2 VAL 92 -6.280 24.095 -8.053 713 HG23 VAL 92 2HG2 VAL 92 -5.483 22.651 -8.685 714 H LYS 93 H LYS 93 -4.339 22.401 -4.416 715 HA LYS 93 HA LYS 93 -4.282 19.708 -5.641 716 HB2 LYS 93 2HB LYS 93 -3.206 20.408 -2.860 717 HB3 LYS 93 3HB LYS 93 -3.170 18.826 -3.639 718 HG2 LYS 93 2HG LYS 93 -1.665 19.854 -5.417 719 HG3 LYS 93 3HG LYS 93 -1.579 21.298 -4.406 720 HD2 LYS 93 2HD LYS 93 0.386 19.936 -3.996 721 HD3 LYS 93 3HD LYS 93 -0.636 19.897 -2.556 722 HE2 LYS 93 2HE LYS 93 0.291 17.664 -3.125 723 HE3 LYS 93 3HE LYS 93 -1.472 17.674 -3.174 724 HZ1 LYS 93 3HZ LYS 93 -1.348 17.896 -5.590 725 HZ2 LYS 93 1HZ LYS 93 -0.557 16.505 -5.059 726 HZ3 LYS 93 2HZ LYS 93 0.339 17.853 -5.524 727 HA PRO 94 HA PRO 94 -8.320 19.364 -3.656 728 HB2 PRO 94 2HB PRO 94 -8.593 16.637 -3.511 729 HB3 PRO 94 3HB PRO 94 -8.668 17.506 -5.066 730 HG2 PRO 94 2HG PRO 94 -6.314 16.106 -3.804 731 HG3 PRO 94 3HG PRO 94 -6.940 15.952 -5.466 732 HD2 PRO 94 2HD PRO 94 -4.833 17.550 -4.939 733 HD3 PRO 94 3HD PRO 94 -6.061 18.036 -6.133 734 H GLU 95 H GLU 95 -9.184 19.088 -1.619 735 HA GLU 95 HA GLU 95 -7.324 18.761 0.591 736 HB2 GLU 95 2HB GLU 95 -9.246 19.464 2.032 737 HB3 GLU 95 3HB GLU 95 -8.810 20.635 0.795 738 HG2 GLU 95 2HG GLU 95 -10.748 20.085 -0.532 739 HG3 GLU 95 3HG GLU 95 -11.114 18.685 0.480 740 H ARG 96 H ARG 96 -7.095 16.501 -0.241 741 HA ARG 96 HA ARG 96 -8.604 14.697 1.537 742 HB2 ARG 96 2HB ARG 96 -8.612 12.928 -0.159 743 HB3 ARG 96 3HB ARG 96 -9.426 14.348 -0.805 744 HG2 ARG 96 2HG ARG 96 -7.348 14.922 -2.078 745 HG3 ARG 96 3HG ARG 96 -6.603 13.435 -1.478 746 HD2 ARG 96 2HD ARG 96 -7.471 13.119 -3.753 747 HD3 ARG 96 3HD ARG 96 -8.351 12.102 -2.606 748 HE ARG 96 HE ARG 96 -9.720 14.542 -2.906 749 HH11 ARG 96 1HH1 ARG 96 -9.072 11.648 -4.805 750 HH12 ARG 96 2HH1 ARG 96 -10.520 11.806 -5.740 751 HH21 ARG 96 1HH2 ARG 96 -11.635 14.697 -4.122 752 HH22 ARG 96 2HH2 ARG 96 -11.964 13.525 -5.356 753 H ASP 97 H ASP 97 -7.217 12.489 1.488 754 HA ASP 97 HA ASP 97 -4.507 13.207 2.292 755 HB2 ASP 97 2HB ASP 97 -5.975 10.532 2.290 756 HB3 ASP 97 3HB ASP 97 -4.326 10.753 2.883 757 H ASP 98 H ASP 98 -2.696 12.751 1.178 758 HA ASP 98 HA ASP 98 -2.719 10.778 -0.998 759 HB2 ASP 98 2HB ASP 98 -2.892 12.980 -2.127 760 HB3 ASP 98 3HB ASP 98 -1.490 13.572 -1.251 761 H THR 99 H THR 99 -1.438 9.290 -0.114 762 HA THR 99 HA THR 99 1.101 10.101 1.158 763 HB THR 99 HB THR 99 -0.662 7.724 1.904 764 HG1 THR 99 HG1 THR 99 -0.775 10.291 2.668 765 HG21 THR 99 3HG2 THR 99 0.942 7.458 3.777 766 HG22 THR 99 1HG2 THR 99 1.941 8.741 3.091 767 HG23 THR 99 2HG2 THR 99 1.719 7.225 2.210 768 H GLU 100 H GLU 100 2.804 9.424 0.015 769 HA GLU 100 HA GLU 100 2.513 7.280 -1.980 770 HB2 GLU 100 2HB GLU 100 3.238 9.578 -2.730 771 HB3 GLU 100 3HB GLU 100 4.670 9.420 -1.722 772 HG2 GLU 100 2HG GLU 100 5.358 7.433 -3.082 773 HG3 GLU 100 3HG GLU 100 3.961 7.709 -4.126 774 H PHE 101 H PHE 101 3.023 5.363 -0.977 775 HA PHE 101 HA PHE 101 5.317 5.160 0.859 776 HB2 PHE 101 2HB PHE 101 3.197 3.133 0.019 777 HB3 PHE 101 3HB PHE 101 4.522 2.762 1.113 778 HD1 PHE 101 HD1 PHE 101 4.704 4.279 3.252 779 HD2 PHE 101 HD2 PHE 101 1.127 3.824 0.934 780 HE1 PHE 101 HE1 PHE 101 3.348 4.919 5.198 781 HE2 PHE 101 HE2 PHE 101 -0.215 4.475 2.887 782 HZ PHE 101 HZ PHE 101 0.894 5.018 5.019 783 H GLN 102 H GLN 102 7.234 4.528 0.133 784 HA GLN 102 HA GLN 102 7.499 3.276 -2.546 785 HB2 GLN 102 2HB GLN 102 9.597 4.652 -2.792 786 HB3 GLN 102 3HB GLN 102 8.118 5.606 -2.746 787 HG2 GLN 102 2HG GLN 102 8.545 6.161 -0.386 788 HG3 GLN 102 3HG GLN 102 10.017 5.199 -0.421 789 HE21 GLN 102 1HE2 GLN 102 11.262 6.980 0.176 790 HE22 GLN 102 2HE2 GLN 102 11.601 8.291 -0.893 791 H HIS 103 H HIS 103 9.036 1.704 -2.791 792 HA HIS 103 HA HIS 103 11.077 1.156 -0.831 793 HB2 HIS 103 2HB HIS 103 9.006 0.035 0.120 794 HB3 HIS 103 3HB HIS 103 8.948 -0.979 -1.317 795 HD1 HIS 103 HD1 HIS 103 10.414 -3.058 -1.294 796 HD2 HIS 103 HD2 HIS 103 11.295 -0.421 1.782 797 HE1 HIS 103 HE1 HIS 103 12.120 -4.216 0.138 798 HE2 HIS 103 HE2 HIS 103 12.481 -2.674 2.085 799 HA PRO 104 HA PRO 104 12.970 0.179 -4.776 800 HB2 PRO 104 2HB PRO 104 15.280 -1.101 -3.924 801 HB3 PRO 104 3HB PRO 104 15.030 0.655 -3.820 802 HG2 PRO 104 2HG PRO 104 14.637 -1.425 -1.677 803 HG3 PRO 104 3HG PRO 104 15.462 0.152 -1.575 804 HD2 PRO 104 2HD PRO 104 12.951 -0.146 -0.670 805 HD3 PRO 104 3HD PRO 104 13.446 1.352 -1.492 806 H CYS 105 H CYS 105 12.510 -2.510 -2.485 807 HA CYS 105 HA CYS 105 12.687 -4.504 -4.653 808 HB2 CYS 105 2HB CYS 105 12.426 -4.867 -1.649 809 HB3 CYS 105 3HB CYS 105 12.474 -6.193 -2.811 810 HG CYS 105 HG CYS 105 15.062 -5.424 -3.752 811 H PHE 106 H PHE 106 10.347 -2.470 -3.779 812 HA PHE 106 HA PHE 106 8.156 -4.438 -4.173 813 HB2 PHE 106 2HB PHE 106 7.906 -3.031 -2.111 814 HB3 PHE 106 3HB PHE 106 7.966 -1.579 -3.100 815 HD1 PHE 106 HD1 PHE 106 5.950 -4.629 -2.367 816 HD2 PHE 106 HD2 PHE 106 5.966 -0.773 -4.235 817 HE1 PHE 106 HE1 PHE 106 3.513 -4.761 -2.676 818 HE2 PHE 106 HE2 PHE 106 3.531 -0.923 -4.540 819 HZ PHE 106 HZ PHE 106 2.303 -2.911 -3.763 820 H LEU 107 H LEU 107 8.176 -4.623 -6.367 821 HA LEU 107 HA LEU 107 7.684 -2.170 -7.960 822 HB2 LEU 107 2HB LEU 107 8.856 -4.809 -8.918 823 HB3 LEU 107 3HB LEU 107 8.562 -3.391 -9.914 824 HG LEU 107 HG LEU 107 10.619 -3.630 -7.679 825 HD11 LEU 107 1HD1 LEU 107 11.243 -4.839 -9.734 826 HD12 LEU 107 2HD1 LEU 107 12.292 -3.454 -9.433 827 HD13 LEU 107 3HD1 LEU 107 11.037 -3.354 -10.671 828 HD21 LEU 107 3HD2 LEU 107 10.008 -1.250 -9.462 829 HD22 LEU 107 1HD2 LEU 107 11.375 -1.383 -8.350 830 HD23 LEU 107 2HD2 LEU 107 9.733 -1.360 -7.722 831 H ARG 108 H ARG 108 5.783 -2.040 -8.956 832 HA ARG 108 HA ARG 108 3.692 -3.949 -8.668 833 HB2 ARG 108 2HB ARG 108 3.516 -1.385 -9.014 834 HB3 ARG 108 3HB ARG 108 3.810 -1.683 -10.716 835 HG2 ARG 108 2HG ARG 108 1.431 -2.736 -9.133 836 HG3 ARG 108 3HG ARG 108 1.416 -1.309 -10.164 837 HD2 ARG 108 2HD ARG 108 1.699 -4.208 -11.001 838 HD3 ARG 108 3HD ARG 108 0.397 -3.085 -11.403 839 HE ARG 108 HE ARG 108 2.679 -1.944 -12.441 840 HH11 ARG 108 1HH1 ARG 108 0.997 -4.989 -12.943 841 HH12 ARG 108 2HH1 ARG 108 1.545 -5.153 -14.572 842 HH21 ARG 108 1HH2 ARG 108 3.444 -2.218 -14.561 843 HH22 ARG 108 2HH2 ARG 108 2.929 -3.583 -15.498 844 H GLY 109 H GLY 109 3.625 -5.850 -9.738 845 HA2 GLY 109 2HA GLY 109 3.402 -7.100 -11.776 846 HA3 GLY 109 3HA GLY 109 4.588 -6.050 -12.541 847 H GLN 110 H GLN 110 6.077 -6.426 -9.747 848 HA GLN 110 HA GLN 110 7.385 -8.985 -10.477 849 HB2 GLN 110 2HB GLN 110 8.514 -6.685 -8.833 850 HB3 GLN 110 3HB GLN 110 9.371 -8.159 -9.272 851 HG2 GLN 110 2HG GLN 110 8.340 -6.137 -11.281 852 HG3 GLN 110 3HG GLN 110 9.964 -6.102 -10.604 853 HE21 GLN 110 1HE2 GLN 110 10.941 -6.323 -12.598 854 HE22 GLN 110 2HE2 GLN 110 10.918 -7.786 -13.508 855 H GLU 111 H GLU 111 5.616 -10.062 -9.399 856 HA GLU 111 HA GLU 111 5.005 -10.019 -6.682 857 HB2 GLU 111 2HB GLU 111 4.199 -12.363 -7.049 858 HB3 GLU 111 3HB GLU 111 3.622 -11.229 -8.268 859 HG2 GLU 111 2HG GLU 111 5.241 -12.049 -9.879 860 HG3 GLU 111 3HG GLU 111 5.998 -13.080 -8.667 861 H GLN 112 H GLN 112 7.711 -11.566 -8.327 862 HA GLN 112 HA GLN 112 8.503 -13.335 -6.273 863 HB2 GLN 112 2HB GLN 112 10.557 -13.696 -7.521 864 HB3 GLN 112 3HB GLN 112 9.212 -13.622 -8.647 865 HG2 GLN 112 2HG GLN 112 10.866 -11.140 -8.165 866 HG3 GLN 112 3HG GLN 112 11.500 -12.425 -9.181 867 HE21 GLN 112 1HE2 GLN 112 11.549 -11.036 -10.956 868 HE22 GLN 112 2HE2 GLN 112 10.114 -10.589 -11.812 869 H LEU 113 H LEU 113 9.030 -9.895 -6.645 870 HA LEU 113 HA LEU 113 11.424 -9.884 -4.962 871 HB2 LEU 113 2HB LEU 113 9.917 -7.607 -6.303 872 HB3 LEU 113 3HB LEU 113 11.394 -7.409 -5.367 873 HG LEU 113 HG LEU 113 11.099 -8.887 -8.014 874 HD11 LEU 113 1HD1 LEU 113 12.639 -6.376 -7.312 875 HD12 LEU 113 2HD1 LEU 113 11.134 -6.462 -8.235 876 HD13 LEU 113 3HD1 LEU 113 12.605 -7.177 -8.888 877 HD21 LEU 113 3HD2 LEU 113 13.529 -9.289 -7.933 878 HD22 LEU 113 1HD2 LEU 113 12.693 -10.120 -6.625 879 HD23 LEU 113 2HD2 LEU 113 13.593 -8.637 -6.292 880 H LEU 114 H LEU 114 8.092 -9.873 -4.443 881 HA LEU 114 HA LEU 114 7.832 -8.212 -2.170 882 HB2 LEU 114 2HB LEU 114 6.306 -10.748 -2.855 883 HB3 LEU 114 3HB LEU 114 5.802 -9.550 -1.670 884 HG LEU 114 HG LEU 114 6.054 -9.039 -4.666 885 HD11 LEU 114 1HD1 LEU 114 3.617 -9.032 -4.722 886 HD12 LEU 114 2HD1 LEU 114 3.550 -9.450 -3.008 887 HD13 LEU 114 3HD1 LEU 114 4.226 -10.592 -4.174 888 HD21 LEU 114 3HD2 LEU 114 6.431 -7.000 -3.364 889 HD22 LEU 114 1HD2 LEU 114 4.927 -7.261 -2.473 890 HD23 LEU 114 2HD2 LEU 114 4.887 -6.921 -4.206 891 H GLU 115 H GLU 115 8.969 -11.542 -2.547 892 HA GLU 115 HA GLU 115 9.237 -11.999 0.321 893 HB2 GLU 115 2HB GLU 115 10.183 -14.158 -0.251 894 HB3 GLU 115 3HB GLU 115 8.691 -13.892 -1.141 895 HG2 GLU 115 2HG GLU 115 9.944 -13.400 -3.173 896 HG3 GLU 115 3HG GLU 115 11.474 -13.560 -2.301 897 H ASN 116 H ASN 116 10.996 -10.208 -1.856 898 HA ASN 116 HA ASN 116 13.595 -10.576 -0.547 899 HB2 ASN 116 2HB ASN 116 12.717 -8.724 -2.812 900 HB3 ASN 116 3HB ASN 116 14.347 -8.778 -2.153 901 HD21 ASN 116 1HD2 ASN 116 12.273 -11.615 -2.821 902 HD22 ASN 116 2HD2 ASN 116 13.273 -12.242 -4.071 903 H ILE 117 H ILE 117 10.711 -8.785 -0.227 904 HA ILE 117 HA ILE 117 11.801 -6.467 1.165 905 HB ILE 117 HB ILE 117 8.898 -7.424 1.013 906 HG12 ILE 117 2HG1 ILE 117 10.262 -5.327 -0.737 907 HG13 ILE 117 3HG1 ILE 117 9.850 -6.960 -1.258 908 HG21 ILE 117 1HG2 ILE 117 10.027 -4.698 1.768 909 HG22 ILE 117 2HG2 ILE 117 9.300 -5.864 2.876 910 HG23 ILE 117 3HG2 ILE 117 8.312 -5.099 1.632 911 HD11 ILE 117 3HD1 ILE 117 8.222 -5.397 -2.073 912 HD12 ILE 117 1HD1 ILE 117 7.909 -4.794 -0.446 913 HD13 ILE 117 2HD1 ILE 117 7.464 -6.448 -0.879 914 H LYS 118 H LYS 118 12.489 -6.691 3.228 915 HA LYS 118 HA LYS 118 11.520 -8.950 4.884 916 HB2 LYS 118 2HB LYS 118 14.048 -7.291 5.277 917 HB3 LYS 118 3HB LYS 118 13.603 -8.755 6.141 918 HG2 LYS 118 2HG LYS 118 14.227 -8.671 3.166 919 HG3 LYS 118 3HG LYS 118 15.427 -8.996 4.409 920 HD2 LYS 118 2HD LYS 118 14.876 -11.154 3.698 921 HD3 LYS 118 3HD LYS 118 13.838 -10.974 5.113 922 HE2 LYS 118 2HE LYS 118 11.920 -10.493 3.658 923 HE3 LYS 118 3HE LYS 118 12.963 -10.543 2.237 924 HZ1 LYS 118 3HZ LYS 118 12.313 -12.807 4.025 925 HZ2 LYS 118 1HZ LYS 118 13.433 -12.869 2.762 926 HZ3 LYS 118 2HZ LYS 118 11.804 -12.581 2.431 927 H ARG 119 H ARG 119 10.504 -8.503 6.829 928 HA ARG 119 HA ARG 119 10.108 -5.674 7.558 929 HB2 ARG 119 2HB ARG 119 8.209 -6.467 8.960 930 HB3 ARG 119 3HB ARG 119 8.021 -6.848 7.257 931 HG2 ARG 119 2HG ARG 119 8.631 -9.186 7.685 932 HG3 ARG 119 3HG ARG 119 8.878 -8.821 9.395 933 HD2 ARG 119 2HD ARG 119 6.449 -8.124 9.510 934 HD3 ARG 119 3HD ARG 119 6.262 -8.711 7.854 935 HE ARG 119 HE ARG 119 7.008 -10.377 10.172 936 HH11 ARG 119 1HH1 ARG 119 5.350 -10.099 7.075 937 HH12 ARG 119 2HH1 ARG 119 4.764 -11.731 7.121 938 HH21 ARG 119 1HH2 ARG 119 6.289 -12.512 10.185 939 HH22 ARG 119 2HH2 ARG 119 5.300 -13.096 8.884 940 H LYS 120 H LYS 120 10.780 -8.778 9.217 941 HA LYS 120 HA LYS 120 12.476 -7.601 11.236 942 HB2 LYS 120 2HB LYS 120 9.651 -8.553 11.928 943 HB3 LYS 120 3HB LYS 120 10.928 -8.446 13.135 944 HG2 LYS 120 2HG LYS 120 11.087 -6.023 12.782 945 HG3 LYS 120 3HG LYS 120 9.861 -6.106 11.523 946 HD2 LYS 120 2HD LYS 120 8.876 -5.276 13.586 947 HD3 LYS 120 3HD LYS 120 8.197 -6.857 13.199 948 HE2 LYS 120 2HE LYS 120 9.549 -7.919 14.908 949 HE3 LYS 120 3HE LYS 120 10.454 -6.429 15.184 950 HZ1 LYS 120 3HZ LYS 120 8.471 -5.380 16.023 951 HZ2 LYS 120 1HZ LYS 120 8.747 -6.815 16.875 952 HZ3 LYS 120 2HZ LYS 120 7.547 -6.756 15.688 953 H VAL 121 H VAL 121 12.889 -9.429 12.979 954 HA VAL 121 HA VAL 121 13.726 -11.840 11.728 955 HB VAL 121 HB VAL 121 14.764 -10.939 13.809 956 HG11 VAL 121 1HG1 VAL 121 12.749 -10.192 14.997 957 HG12 VAL 121 2HG1 VAL 121 13.720 -11.256 16.015 958 HG13 VAL 121 3HG1 VAL 121 12.254 -11.868 15.246 959 HG21 VAL 121 3HG2 VAL 121 15.119 -13.094 14.974 960 HG22 VAL 121 1HG2 VAL 121 15.161 -13.291 13.220 961 HG23 VAL 121 2HG2 VAL 121 13.730 -13.784 14.128 962 H THR 122 H THR 122 10.765 -10.890 13.355 963 HA THR 122 HA THR 122 9.521 -13.461 13.509 964 HB THR 122 HB THR 122 7.406 -12.054 13.859 965 HG1 THR 122 HG1 THR 122 7.943 -10.174 12.770 966 HG21 THR 122 3HG2 THR 122 8.749 -12.801 15.793 967 HG22 THR 122 1HG2 THR 122 8.075 -11.193 16.071 968 HG23 THR 122 2HG2 THR 122 9.778 -11.372 15.640 969 H SER 123 H SER 123 9.991 -14.223 11.369 970 HA SER 123 HA SER 123 7.886 -14.048 9.481 971 HB2 SER 123 2HB SER 123 9.070 -11.845 8.963 972 HB3 SER 123 3HB SER 123 10.518 -12.760 8.558 973 HG SER 123 HG SER 123 9.613 -12.589 6.639 974 H VAL 124 H VAL 124 8.873 -15.162 7.282 975 HA VAL 124 HA VAL 124 9.897 -17.719 7.963 976 HB VAL 124 HB VAL 124 8.527 -17.596 6.005 977 HG11 VAL 124 1HG1 VAL 124 10.478 -15.621 4.781 978 HG12 VAL 124 2HG1 VAL 124 8.850 -15.264 5.360 979 HG13 VAL 124 3HG1 VAL 124 9.076 -16.315 3.959 980 HG21 VAL 124 3HG2 VAL 124 10.308 -19.293 5.847 981 HG22 VAL 124 1HG2 VAL 124 11.372 -18.127 5.052 982 HG23 VAL 124 2HG2 VAL 124 9.900 -18.673 4.246 983 H SER 125 H SER 125 11.864 -17.953 8.812 984 HA SER 125 HA SER 125 14.286 -17.270 7.448 985 HB2 SER 125 2HB SER 125 13.645 -15.052 8.539 986 HB3 SER 125 3HB SER 125 13.772 -15.834 10.110 987 HG SER 125 HG SER 125 15.868 -15.724 8.210 Start of MODEL 14 1 H1 MET 1 1H MET 1 27.374 2.492 20.842 2 H2 MET 1 2H MET 1 27.440 1.179 19.786 3 H3 MET 1 3H MET 1 25.984 1.581 20.536 4 HA MET 1 HA MET 1 25.905 3.676 19.359 5 HB2 MET 1 2HB MET 1 28.450 2.621 18.043 6 HB3 MET 1 3HB MET 1 27.517 3.972 17.411 7 HG2 MET 1 2HG MET 1 27.921 5.183 19.557 8 HG3 MET 1 3HG MET 1 28.969 3.856 20.056 9 HE1 MET 1 3HE MET 1 28.656 5.299 16.359 10 HE2 MET 1 1HE MET 1 29.848 6.596 16.436 11 HE3 MET 1 2HE MET 1 28.383 6.693 17.409 12 H GLY 2 H GLY 2 24.196 3.416 18.027 13 HA2 GLY 2 2HA GLY 2 22.724 2.554 16.500 14 HA3 GLY 2 3HA GLY 2 24.077 1.713 15.749 15 H HIS 3 H HIS 3 22.874 -0.199 15.416 16 HA HIS 3 HA HIS 3 22.599 -1.897 17.837 17 HB2 HIS 3 2HB HIS 3 20.777 -2.031 15.379 18 HB3 HIS 3 3HB HIS 3 20.666 -3.039 16.817 19 HD1 HIS 3 HD1 HIS 3 19.330 -0.007 15.361 20 HD2 HIS 3 HD2 HIS 3 19.916 -1.444 19.215 21 HE1 HIS 3 HE1 HIS 3 17.922 1.447 16.842 22 HE2 HIS 3 HE2 HIS 3 18.493 0.713 19.173 23 H HIS 4 H HIS 4 23.811 -3.712 17.680 24 HA HIS 4 HA HIS 4 25.628 -4.096 15.561 25 HB2 HIS 4 2HB HIS 4 26.367 -6.139 16.721 26 HB3 HIS 4 3HB HIS 4 26.161 -4.819 17.861 27 HD1 HIS 4 HD1 HIS 4 25.154 -8.271 17.204 28 HD2 HIS 4 HD2 HIS 4 23.798 -5.123 19.554 29 HE1 HIS 4 HE1 HIS 4 23.613 -9.297 18.892 30 HE2 HIS 4 HE2 HIS 4 22.665 -7.355 20.164 31 H HIS 5 H HIS 5 25.248 -4.887 13.625 32 HA HIS 5 HA HIS 5 22.715 -6.080 12.948 33 HB2 HIS 5 2HB HIS 5 25.119 -5.280 11.267 34 HB3 HIS 5 3HB HIS 5 23.676 -6.018 10.572 35 HD1 HIS 5 HD1 HIS 5 24.681 -3.098 9.916 36 HD2 HIS 5 HD2 HIS 5 21.636 -4.075 12.568 37 HE1 HIS 5 HE1 HIS 5 23.195 -1.083 10.006 38 HE2 HIS 5 HE2 HIS 5 21.292 -1.762 11.493 39 H HIS 6 H HIS 6 22.240 -8.131 12.499 40 HA HIS 6 HA HIS 6 24.272 -10.214 12.216 41 HB2 HIS 6 2HB HIS 6 23.349 -11.553 14.126 42 HB3 HIS 6 3HB HIS 6 24.042 -10.029 14.677 43 HD1 HIS 6 HD1 HIS 6 20.759 -11.826 14.314 44 HD2 HIS 6 HD2 HIS 6 22.192 -8.226 15.817 45 HE1 HIS 6 HE1 HIS 6 18.843 -10.813 15.587 46 HE2 HIS 6 HE2 HIS 6 19.686 -8.568 16.333 47 H HIS 7 H HIS 7 23.548 -11.862 10.956 48 HA HIS 7 HA HIS 7 22.286 -13.293 9.761 49 HB2 HIS 7 2HB HIS 7 21.278 -13.906 11.901 50 HB3 HIS 7 3HB HIS 7 20.184 -12.533 11.838 51 HD1 HIS 7 HD1 HIS 7 17.891 -13.133 11.176 52 HD2 HIS 7 HD2 HIS 7 20.657 -15.814 9.611 53 HE1 HIS 7 HE1 HIS 7 16.537 -14.886 9.997 54 HE2 HIS 7 HE2 HIS 7 18.230 -16.452 8.996 55 H HIS 8 H HIS 8 22.494 -11.886 7.934 56 HA HIS 8 HA HIS 8 20.165 -10.287 7.113 57 HB2 HIS 8 2HB HIS 8 22.918 -10.776 5.910 58 HB3 HIS 8 3HB HIS 8 21.641 -10.010 4.973 59 HD1 HIS 8 HD1 HIS 8 22.034 -7.573 4.921 60 HD2 HIS 8 HD2 HIS 8 23.044 -9.179 8.620 61 HE1 HIS 8 HE1 HIS 8 22.746 -5.624 6.325 62 HE2 HIS 8 HE2 HIS 8 23.178 -6.599 8.595 63 H SER 9 H SER 9 18.467 -11.542 6.483 64 HA SER 9 HA SER 9 18.865 -14.140 5.230 65 HB2 SER 9 2HB SER 9 17.085 -13.823 6.944 66 HB3 SER 9 3HB SER 9 16.262 -12.691 5.869 67 HG SER 9 HG SER 9 16.421 -15.461 5.755 68 H HIS 10 H HIS 10 19.820 -13.557 3.260 69 HA HIS 10 HA HIS 10 18.044 -12.341 1.218 70 HB2 HIS 10 2HB HIS 10 20.311 -11.341 1.349 71 HB3 HIS 10 3HB HIS 10 21.047 -12.919 1.105 72 HD1 HIS 10 HD1 HIS 10 18.448 -10.890 -0.857 73 HD2 HIS 10 HD2 HIS 10 21.914 -13.091 -1.463 74 HE1 HIS 10 HE1 HIS 10 18.853 -10.832 -3.332 75 HE2 HIS 10 HE2 HIS 10 20.794 -12.389 -3.675 76 H MET 11 H MET 11 18.974 -15.352 2.461 77 HA MET 11 HA MET 11 18.913 -16.951 0.100 78 HB2 MET 11 2HB MET 11 19.890 -17.817 2.202 79 HB3 MET 11 3HB MET 11 18.314 -17.762 2.981 80 HG2 MET 11 2HG MET 11 17.468 -19.443 1.374 81 HG3 MET 11 3HG MET 11 19.058 -19.496 0.608 82 HE1 MET 11 3HE MET 11 19.096 -22.149 0.883 83 HE2 MET 11 1HE MET 11 17.506 -22.102 1.655 84 HE3 MET 11 2HE MET 11 18.836 -22.967 2.424 85 H ALA 12 H ALA 12 17.213 -16.448 -1.152 86 HA ALA 12 HA ALA 12 14.471 -16.390 -0.152 87 HB1 ALA 12 3HB ALA 12 13.941 -15.682 -2.464 88 HB2 ALA 12 1HB ALA 12 15.627 -15.938 -2.928 89 HB3 ALA 12 2HB ALA 12 15.213 -14.686 -1.754 90 H GLY 13 H GLY 13 15.794 -18.930 0.092 91 HA2 GLY 13 2HA GLY 13 14.916 -20.814 -1.859 92 HA3 GLY 13 3HA GLY 13 15.348 -21.168 -0.191 93 HA PRO 14 HA PRO 14 10.843 -20.845 0.670 94 HB2 PRO 14 2HB PRO 14 10.824 -20.086 3.291 95 HB3 PRO 14 3HB PRO 14 11.266 -21.732 2.800 96 HG2 PRO 14 2HG PRO 14 13.038 -19.483 3.650 97 HG3 PRO 14 3HG PRO 14 13.189 -21.223 3.975 98 HD2 PRO 14 2HD PRO 14 14.597 -19.843 1.990 99 HD3 PRO 14 3HD PRO 14 14.344 -21.601 2.026 100 H SER 15 H SER 15 9.907 -19.154 -0.366 101 HA SER 15 HA SER 15 10.966 -16.586 -0.671 102 HB2 SER 15 2HB SER 15 8.705 -16.024 -1.650 103 HB3 SER 15 3HB SER 15 9.420 -17.495 -2.312 104 HG SER 15 HG SER 15 7.966 -18.707 -1.248 105 H ASN 16 H ASN 16 8.058 -17.563 1.118 106 HA ASN 16 HA ASN 16 6.908 -16.796 2.892 107 HB2 ASN 16 2HB ASN 16 9.692 -15.864 3.719 108 HB3 ASN 16 3HB ASN 16 8.292 -15.711 4.774 109 HD21 ASN 16 1HD2 ASN 16 8.799 -18.524 2.673 110 HD22 ASN 16 2HD2 ASN 16 9.111 -19.632 3.955 111 H VAL 17 H VAL 17 6.565 -15.409 0.672 112 HA VAL 17 HA VAL 17 6.559 -12.583 0.981 113 HB VAL 17 HB VAL 17 4.551 -14.329 -0.533 114 HG11 VAL 17 1HG1 VAL 17 4.063 -12.298 -1.866 115 HG12 VAL 17 2HG1 VAL 17 5.147 -11.358 -0.839 116 HG13 VAL 17 3HG1 VAL 17 3.677 -12.059 -0.160 117 HG21 VAL 17 3HG2 VAL 17 5.883 -13.912 -2.543 118 HG22 VAL 17 1HG2 VAL 17 6.861 -14.714 -1.311 119 HG23 VAL 17 2HG2 VAL 17 7.053 -12.981 -1.602 120 HA PRO 18 HA PRO 18 3.676 -12.847 4.577 121 HB2 PRO 18 2HB PRO 18 3.672 -9.849 4.155 122 HB3 PRO 18 3HB PRO 18 3.918 -10.778 5.654 123 HG2 PRO 18 2HG PRO 18 5.994 -9.652 4.464 124 HG3 PRO 18 3HG PRO 18 6.145 -11.293 5.135 125 HD2 PRO 18 2HD PRO 18 5.780 -10.460 2.252 126 HD3 PRO 18 3HD PRO 18 6.844 -11.709 2.942 127 H ALA 19 H ALA 19 1.471 -12.973 4.633 128 HA ALA 19 HA ALA 19 -0.218 -12.806 2.487 129 HB1 ALA 19 3HB ALA 19 -0.985 -12.367 5.396 130 HB2 ALA 19 1HB ALA 19 -0.794 -13.932 4.605 131 HB3 ALA 19 2HB ALA 19 -2.082 -12.839 4.096 132 H PHE 20 H PHE 20 0.572 -10.248 4.819 133 HA PHE 20 HA PHE 20 -1.087 -8.210 4.020 134 HB2 PHE 20 2HB PHE 20 0.471 -8.165 5.991 135 HB3 PHE 20 3HB PHE 20 1.825 -7.909 4.897 136 HD1 PHE 20 HD1 PHE 20 2.067 -5.727 3.701 137 HD2 PHE 20 HD2 PHE 20 -1.079 -6.360 6.528 138 HE1 PHE 20 HE1 PHE 20 1.660 -3.314 3.795 139 HE2 PHE 20 HE2 PHE 20 -1.472 -3.934 6.617 140 HZ PHE 20 HZ PHE 20 -0.097 -2.414 5.252 141 H LEU 21 H LEU 21 2.060 -9.158 2.533 142 HA LEU 21 HA LEU 21 2.126 -6.817 0.823 143 HB2 LEU 21 2HB LEU 21 3.944 -9.252 0.990 144 HB3 LEU 21 3HB LEU 21 4.182 -7.955 -0.173 145 HG LEU 21 HG LEU 21 4.390 -7.722 2.858 146 HD11 LEU 21 1HD1 LEU 21 6.751 -7.217 2.412 147 HD12 LEU 21 2HD1 LEU 21 6.489 -7.435 0.678 148 HD13 LEU 21 3HD1 LEU 21 6.314 -8.803 1.781 149 HD21 LEU 21 3HD2 LEU 21 4.652 -5.519 0.772 150 HD22 LEU 21 1HD2 LEU 21 5.057 -5.365 2.485 151 HD23 LEU 21 2HD2 LEU 21 3.389 -5.659 2.001 152 H THR 22 H THR 22 1.356 -10.283 0.411 153 HA THR 22 HA THR 22 1.097 -10.133 -2.429 154 HB THR 22 HB THR 22 1.498 -12.277 -1.212 155 HG1 THR 22 HG1 THR 22 -0.121 -11.892 -3.309 156 HG21 THR 22 3HG2 THR 22 -0.066 -12.008 0.668 157 HG22 THR 22 1HG2 THR 22 -0.353 -13.520 -0.196 158 HG23 THR 22 2HG2 THR 22 -1.431 -12.145 -0.442 159 H LYS 23 H LYS 23 -1.217 -9.747 0.253 160 HA LYS 23 HA LYS 23 -3.537 -9.359 -1.358 161 HB2 LYS 23 2HB LYS 23 -2.887 -8.468 1.478 162 HB3 LYS 23 3HB LYS 23 -4.455 -8.202 0.736 163 HG2 LYS 23 2HG LYS 23 -3.292 -10.984 1.019 164 HG3 LYS 23 3HG LYS 23 -4.166 -10.212 2.331 165 HD2 LYS 23 2HD LYS 23 -5.803 -11.538 1.285 166 HD3 LYS 23 3HD LYS 23 -6.112 -9.931 0.631 167 HE2 LYS 23 2HE LYS 23 -6.260 -11.610 -1.136 168 HE3 LYS 23 3HE LYS 23 -4.873 -10.564 -1.429 169 HZ1 LYS 23 3HZ LYS 23 -4.763 -13.278 -0.220 170 HZ2 LYS 23 1HZ LYS 23 -3.433 -12.279 -0.524 171 HZ3 LYS 23 2HZ LYS 23 -4.342 -12.885 -1.811 172 H LEU 24 H LEU 24 -1.141 -7.153 0.064 173 HA LEU 24 HA LEU 24 -2.158 -4.695 -0.769 174 HB2 LEU 24 2HB LEU 24 -0.329 -4.890 0.858 175 HB3 LEU 24 3HB LEU 24 0.732 -5.564 -0.366 176 HG LEU 24 HG LEU 24 0.634 -3.350 -1.592 177 HD11 LEU 24 1HD1 LEU 24 -0.176 -1.356 -0.405 178 HD12 LEU 24 2HD1 LEU 24 -0.828 -2.376 0.879 179 HD13 LEU 24 3HD1 LEU 24 -1.481 -2.488 -0.758 180 HD21 LEU 24 3HD2 LEU 24 1.677 -3.220 1.254 181 HD22 LEU 24 1HD2 LEU 24 2.161 -2.169 -0.081 182 HD23 LEU 24 2HD2 LEU 24 2.530 -3.892 -0.140 183 H TRP 25 H TRP 25 0.011 -6.965 -2.476 184 HA TRP 25 HA TRP 25 0.571 -5.457 -4.742 185 HB2 TRP 25 2HB TRP 25 1.711 -7.593 -4.095 186 HB3 TRP 25 3HB TRP 25 0.269 -8.498 -4.568 187 HD1 TRP 25 HD1 TRP 25 0.026 -9.066 -7.141 188 HE1 TRP 25 HE1 TRP 25 1.408 -8.519 -9.236 189 HE3 TRP 25 HE3 TRP 25 3.303 -5.720 -5.100 190 HZ2 TRP 25 HZ2 TRP 25 3.615 -6.913 -9.926 191 HZ3 TRP 25 HZ3 TRP 25 5.028 -4.723 -6.537 192 HH2 TRP 25 HH2 TRP 25 5.177 -5.311 -8.903 193 H THR 26 H THR 26 -1.950 -7.935 -4.301 194 HA THR 26 HA THR 26 -3.283 -7.665 -6.755 195 HB THR 26 HB THR 26 -4.459 -8.535 -4.068 196 HG1 THR 26 HG1 THR 26 -2.741 -9.804 -5.902 197 HG21 THR 26 3HG2 THR 26 -6.195 -8.296 -5.821 198 HG22 THR 26 1HG2 THR 26 -5.935 -9.998 -5.420 199 HG23 THR 26 2HG2 THR 26 -5.253 -9.323 -6.903 200 H LEU 27 H LEU 27 -3.421 -5.800 -3.810 201 HA LEU 27 HA LEU 27 -5.895 -4.459 -4.162 202 HB2 LEU 27 2HB LEU 27 -4.968 -4.843 -1.973 203 HB3 LEU 27 3HB LEU 27 -3.457 -4.065 -2.401 204 HG LEU 27 HG LEU 27 -4.541 -1.871 -2.412 205 HD11 LEU 27 1HD1 LEU 27 -6.837 -1.549 -1.852 206 HD12 LEU 27 2HD1 LEU 27 -7.088 -3.272 -1.594 207 HD13 LEU 27 3HD1 LEU 27 -6.760 -2.656 -3.214 208 HD21 LEU 27 3HD2 LEU 27 -5.019 -1.683 -0.007 209 HD22 LEU 27 1HD2 LEU 27 -3.615 -2.715 -0.287 210 HD23 LEU 27 2HD2 LEU 27 -5.174 -3.439 0.118 211 H VAL 28 H VAL 28 -2.492 -3.390 -4.571 212 HA VAL 28 HA VAL 28 -2.953 -0.781 -5.489 213 HB VAL 28 HB VAL 28 -0.606 -2.661 -6.074 214 HG11 VAL 28 1HG1 VAL 28 -0.600 -0.795 -7.690 215 HG12 VAL 28 2HG1 VAL 28 0.750 -0.668 -6.563 216 HG13 VAL 28 3HG1 VAL 28 -0.668 0.365 -6.361 217 HG21 VAL 28 3HG2 VAL 28 -0.985 -2.235 -3.666 218 HG22 VAL 28 1HG2 VAL 28 -0.876 -0.499 -3.953 219 HG23 VAL 28 2HG2 VAL 28 0.534 -1.531 -4.217 220 H SER 29 H SER 29 -3.102 -3.837 -7.164 221 HA SER 29 HA SER 29 -3.242 -2.616 -9.843 222 HB2 SER 29 2HB SER 29 -1.609 -4.445 -9.437 223 HB3 SER 29 3HB SER 29 -2.922 -5.527 -8.984 224 HG SER 29 HG SER 29 -2.556 -4.295 -11.516 225 H ASP 30 H ASP 30 -5.463 -3.240 -7.489 226 HA ASP 30 HA ASP 30 -7.490 -4.703 -8.994 227 HB2 ASP 30 2HB ASP 30 -7.219 -5.100 -6.591 228 HB3 ASP 30 3HB ASP 30 -7.511 -3.405 -6.234 229 HA PRO 31 HA PRO 31 -9.283 -0.976 -10.778 230 HB2 PRO 31 2HB PRO 31 -11.486 -2.011 -11.985 231 HB3 PRO 31 3HB PRO 31 -9.848 -2.442 -12.520 232 HG2 PRO 31 2HG PRO 31 -11.702 -3.990 -10.736 233 HG3 PRO 31 3HG PRO 31 -10.728 -4.564 -12.109 234 HD2 PRO 31 2HD PRO 31 -9.932 -4.840 -9.498 235 HD3 PRO 31 3HD PRO 31 -8.783 -4.700 -10.848 236 H ASP 32 H ASP 32 -10.931 -2.683 -8.225 237 HA ASP 32 HA ASP 32 -13.063 -0.689 -7.977 238 HB2 ASP 32 2HB ASP 32 -13.578 -3.029 -7.411 239 HB3 ASP 32 3HB ASP 32 -12.312 -3.055 -6.192 240 H THR 33 H THR 33 -9.846 -1.205 -6.788 241 HA THR 33 HA THR 33 -10.199 0.859 -4.688 242 HB THR 33 HB THR 33 -8.310 -0.261 -3.483 243 HG1 THR 33 HG1 THR 33 -7.313 -1.407 -5.126 244 HG21 THR 33 3HG2 THR 33 -9.587 -2.220 -2.672 245 HG22 THR 33 1HG2 THR 33 -10.685 -2.076 -4.049 246 HG23 THR 33 2HG2 THR 33 -10.631 -0.803 -2.825 247 H ASP 34 H ASP 34 -8.815 0.491 -7.705 248 HA ASP 34 HA ASP 34 -6.184 1.462 -7.377 249 HB2 ASP 34 2HB ASP 34 -6.145 1.862 -9.758 250 HB3 ASP 34 3HB ASP 34 -7.062 0.388 -9.477 251 H ALA 35 H ALA 35 -9.236 3.119 -7.507 252 HA ALA 35 HA ALA 35 -8.361 5.756 -7.970 253 HB1 ALA 35 3HB ALA 35 -10.692 5.049 -8.229 254 HB2 ALA 35 1HB ALA 35 -10.572 6.438 -7.146 255 HB3 ALA 35 2HB ALA 35 -10.828 4.817 -6.485 256 H LEU 36 H LEU 36 -8.283 3.825 -5.039 257 HA LEU 36 HA LEU 36 -7.387 6.182 -3.468 258 HB2 LEU 36 2HB LEU 36 -8.727 3.651 -2.436 259 HB3 LEU 36 3HB LEU 36 -8.101 4.945 -1.423 260 HG LEU 36 HG LEU 36 -10.488 5.075 -3.305 261 HD11 LEU 36 1HD1 LEU 36 -11.780 5.544 -1.305 262 HD12 LEU 36 2HD1 LEU 36 -10.324 5.501 -0.308 263 HD13 LEU 36 3HD1 LEU 36 -10.898 4.029 -1.104 264 HD21 LEU 36 3HD2 LEU 36 -9.252 7.377 -1.762 265 HD22 LEU 36 1HD2 LEU 36 -10.781 7.428 -2.641 266 HD23 LEU 36 2HD2 LEU 36 -9.272 7.189 -3.517 267 H ILE 37 H ILE 37 -6.311 3.289 -4.893 268 HA ILE 37 HA ILE 37 -3.688 3.798 -3.829 269 HB ILE 37 HB ILE 37 -4.504 2.367 -2.047 270 HG12 ILE 37 2HG1 ILE 37 -2.558 0.772 -3.776 271 HG13 ILE 37 3HG1 ILE 37 -2.110 2.142 -2.766 272 HG21 ILE 37 1HG2 ILE 37 -5.095 0.215 -4.104 273 HG22 ILE 37 2HG2 ILE 37 -6.296 1.174 -3.238 274 HG23 ILE 37 3HG2 ILE 37 -5.257 0.060 -2.350 275 HD11 ILE 37 3HD1 ILE 37 -3.191 -0.509 -1.809 276 HD12 ILE 37 1HD1 ILE 37 -2.831 0.876 -0.773 277 HD13 ILE 37 2HD1 ILE 37 -1.538 0.087 -1.674 278 H CYS 38 H CYS 38 -2.453 3.799 -5.551 279 HA CYS 38 HA CYS 38 -2.428 1.609 -7.465 280 HB2 CYS 38 2HB CYS 38 -2.641 3.066 -9.455 281 HB3 CYS 38 3HB CYS 38 -4.097 3.172 -8.471 282 HG CYS 38 HG CYS 38 -3.708 5.668 -7.543 283 H TRP 39 H TRP 39 -0.522 1.715 -8.826 284 HA TRP 39 HA TRP 39 1.810 2.585 -7.354 285 HB2 TRP 39 2HB TRP 39 3.052 1.518 -9.374 286 HB3 TRP 39 3HB TRP 39 2.102 0.450 -8.353 287 HD1 TRP 39 HD1 TRP 39 -0.157 -0.609 -9.438 288 HE1 TRP 39 HE1 TRP 39 -0.863 -0.978 -11.877 289 HE3 TRP 39 HE3 TRP 39 3.170 2.526 -11.751 290 HZ2 TRP 39 HZ2 TRP 39 -0.111 -0.095 -14.436 291 HZ3 TRP 39 HZ3 TRP 39 3.111 2.704 -14.205 292 HH2 TRP 39 HH2 TRP 39 1.500 1.418 -15.522 293 H SER 40 H SER 40 3.463 3.982 -8.185 294 HA SER 40 HA SER 40 2.488 6.332 -9.543 295 HB2 SER 40 2HB SER 40 5.304 5.625 -8.586 296 HB3 SER 40 3HB SER 40 4.750 7.232 -9.063 297 HG SER 40 HG SER 40 4.756 6.770 -6.748 298 HA PRO 41 HA PRO 41 3.505 5.487 -13.854 299 HB2 PRO 41 2HB PRO 41 4.967 8.140 -13.691 300 HB3 PRO 41 3HB PRO 41 3.868 7.534 -14.954 301 HG2 PRO 41 2HG PRO 41 2.932 9.235 -13.177 302 HG3 PRO 41 3HG PRO 41 1.954 7.817 -13.625 303 HD2 PRO 41 2HD PRO 41 3.533 8.298 -11.109 304 HD3 PRO 41 3HD PRO 41 1.982 7.452 -11.332 305 H SER 42 H SER 42 6.280 6.570 -11.853 306 HA SER 42 HA SER 42 8.277 5.363 -13.558 307 HB2 SER 42 2HB SER 42 8.506 6.325 -10.675 308 HB3 SER 42 3HB SER 42 9.859 5.925 -11.737 309 HG SER 42 HG SER 42 8.349 7.664 -13.038 310 H GLY 43 H GLY 43 6.461 4.386 -10.682 311 HA2 GLY 43 2HA GLY 43 5.691 2.192 -10.373 312 HA3 GLY 43 3HA GLY 43 7.007 1.581 -11.359 313 H ASN 44 H ASN 44 8.303 3.753 -9.172 314 HA ASN 44 HA ASN 44 9.523 1.554 -7.663 315 HB2 ASN 44 2HB ASN 44 10.192 4.529 -7.623 316 HB3 ASN 44 3HB ASN 44 11.167 3.234 -6.934 317 HD21 ASN 44 1HD2 ASN 44 10.795 1.432 -9.262 318 HD22 ASN 44 2HD2 ASN 44 11.756 2.106 -10.527 319 H SER 45 H SER 45 6.811 3.396 -7.273 320 HA SER 45 HA SER 45 6.626 2.931 -4.420 321 HB2 SER 45 2HB SER 45 5.991 5.336 -3.974 322 HB3 SER 45 3HB SER 45 7.684 5.141 -4.420 323 HG SER 45 HG SER 45 7.252 6.593 -5.867 324 H PHE 46 H PHE 46 4.350 3.762 -3.667 325 HA PHE 46 HA PHE 46 2.374 4.023 -5.834 326 HB2 PHE 46 2HB PHE 46 0.807 2.439 -4.840 327 HB3 PHE 46 3HB PHE 46 2.315 1.616 -5.185 328 HD1 PHE 46 HD2 PHE 46 3.821 0.930 -3.290 329 HD2 PHE 46 HD1 PHE 46 -0.054 2.587 -2.568 330 HE1 PHE 46 HE2 PHE 46 3.855 0.034 -1.003 331 HE2 PHE 46 HE1 PHE 46 -0.007 1.687 -0.281 332 HZ PHE 46 HZ PHE 46 1.945 0.410 0.504 333 H HIS 47 H HIS 47 0.482 5.170 -5.223 334 HA HIS 47 HA HIS 47 0.786 6.850 -2.807 335 HB2 HIS 47 2HB HIS 47 -0.728 7.315 -5.413 336 HB3 HIS 47 3HB HIS 47 -0.957 8.331 -3.993 337 HD1 HIS 47 HD1 HIS 47 0.545 10.287 -3.811 338 HD2 HIS 47 HD2 HIS 47 2.055 7.441 -6.431 339 HE1 HIS 47 HE1 HIS 47 2.571 11.339 -4.855 340 HE2 HIS 47 HE2 HIS 47 3.589 9.506 -6.239 341 H VAL 48 H VAL 48 -1.097 7.279 -1.553 342 HA VAL 48 HA VAL 48 -3.425 5.475 -1.848 343 HB VAL 48 HB VAL 48 -2.137 6.355 0.805 344 HG11 VAL 48 1HG1 VAL 48 -4.578 6.240 0.981 345 HG12 VAL 48 2HG1 VAL 48 -3.847 4.907 1.873 346 HG13 VAL 48 3HG1 VAL 48 -4.577 4.612 0.295 347 HG21 VAL 48 3HG2 VAL 48 -2.252 3.573 -0.431 348 HG22 VAL 48 1HG2 VAL 48 -1.627 3.959 1.178 349 HG23 VAL 48 2HG2 VAL 48 -0.809 4.577 -0.262 350 H PHE 49 H PHE 49 -5.266 6.660 -2.036 351 HA PHE 49 HA PHE 49 -5.265 9.529 -1.274 352 HB2 PHE 49 2HB PHE 49 -6.756 8.034 -3.470 353 HB3 PHE 49 3HB PHE 49 -7.288 9.610 -2.899 354 HD1 PHE 49 HD1 PHE 49 -4.628 7.819 -4.706 355 HD2 PHE 49 HD2 PHE 49 -6.056 11.636 -3.418 356 HE1 PHE 49 HE1 PHE 49 -3.050 8.927 -6.232 357 HE2 PHE 49 HE2 PHE 49 -4.483 12.738 -4.949 358 HZ PHE 49 HZ PHE 49 -2.983 11.382 -6.355 359 H ASP 50 H ASP 50 -7.032 10.362 -0.195 360 HA ASP 50 HA ASP 50 -8.524 10.445 1.512 361 HB2 ASP 50 2HB ASP 50 -9.917 9.994 -0.710 362 HB3 ASP 50 3HB ASP 50 -10.249 8.432 0.016 363 H GLN 51 H GLN 51 -6.864 9.236 2.766 364 HA GLN 51 HA GLN 51 -6.814 6.481 3.156 365 HB2 GLN 51 2HB GLN 51 -5.930 8.657 5.081 366 HB3 GLN 51 3HB GLN 51 -5.471 6.957 5.189 367 HG2 GLN 51 2HG GLN 51 -4.251 7.086 3.093 368 HG3 GLN 51 3HG GLN 51 -4.823 8.732 2.812 369 HE21 GLN 51 1HE2 GLN 51 -3.561 7.271 5.807 370 HE22 GLN 51 2HE2 GLN 51 -2.223 8.351 5.955 371 H GLY 52 H GLY 52 -9.008 8.785 4.563 372 HA2 GLY 52 2HA GLY 52 -9.979 7.229 6.739 373 HA3 GLY 52 3HA GLY 52 -10.809 8.563 5.952 374 H GLN 53 H GLN 53 -11.128 7.669 3.355 375 HA GLN 53 HA GLN 53 -13.307 5.823 3.559 376 HB2 GLN 53 2HB GLN 53 -13.108 7.676 1.845 377 HB3 GLN 53 3HB GLN 53 -11.841 6.754 1.052 378 HG2 GLN 53 2HG GLN 53 -13.936 6.464 -0.142 379 HG3 GLN 53 3HG GLN 53 -13.468 4.930 0.595 380 HE21 GLN 53 1HE2 GLN 53 -15.564 4.119 0.606 381 HE22 GLN 53 2HE2 GLN 53 -16.803 4.720 1.637 382 H PHE 54 H PHE 54 -10.031 5.658 2.224 383 HA PHE 54 HA PHE 54 -9.816 3.075 1.333 384 HB2 PHE 54 2HB PHE 54 -8.082 4.769 0.977 385 HB3 PHE 54 3HB PHE 54 -7.782 4.904 2.698 386 HD1 PHE 54 HD1 PHE 54 -6.438 3.179 3.881 387 HD2 PHE 54 HD2 PHE 54 -7.065 2.977 -0.348 388 HE1 PHE 54 HE1 PHE 54 -4.571 1.595 3.677 389 HE2 PHE 54 HE2 PHE 54 -5.203 1.383 -0.528 390 HZ PHE 54 HZ PHE 54 -3.958 0.691 1.471 391 H ALA 55 H ALA 55 -9.081 4.243 4.634 392 HA ALA 55 HA ALA 55 -8.517 1.763 5.779 393 HB1 ALA 55 3HB ALA 55 -9.720 4.196 7.143 394 HB2 ALA 55 1HB ALA 55 -8.002 3.911 6.866 395 HB3 ALA 55 2HB ALA 55 -8.903 2.852 7.947 396 H LYS 56 H LYS 56 -11.577 3.365 5.230 397 HA LYS 56 HA LYS 56 -13.220 1.732 6.882 398 HB2 LYS 56 2HB LYS 56 -13.916 3.960 6.507 399 HB3 LYS 56 3HB LYS 56 -13.713 3.849 4.772 400 HG2 LYS 56 2HG LYS 56 -15.800 2.089 5.994 401 HG3 LYS 56 3HG LYS 56 -16.127 3.823 5.990 402 HD2 LYS 56 2HD LYS 56 -15.883 3.904 3.550 403 HD3 LYS 56 3HD LYS 56 -15.392 2.206 3.511 404 HE2 LYS 56 2HE LYS 56 -17.714 2.406 2.815 405 HE3 LYS 56 3HE LYS 56 -17.651 1.576 4.369 406 HZ1 LYS 56 3HZ LYS 56 -18.215 3.701 5.441 407 HZ2 LYS 56 1HZ LYS 56 -19.407 3.191 4.362 408 HZ3 LYS 56 2HZ LYS 56 -18.349 4.431 3.925 409 H GLU 57 H GLU 57 -12.691 1.711 3.310 410 HA GLU 57 HA GLU 57 -14.457 -0.677 3.108 411 HB2 GLU 57 2HB GLU 57 -14.575 -0.120 0.644 412 HB3 GLU 57 3HB GLU 57 -15.276 1.089 1.713 413 HG2 GLU 57 2HG GLU 57 -13.471 2.597 1.385 414 HG3 GLU 57 3HG GLU 57 -12.451 1.359 0.669 415 H VAL 58 H VAL 58 -11.192 0.390 2.389 416 HA VAL 58 HA VAL 58 -10.646 -1.723 0.459 417 HB VAL 58 HB VAL 58 -8.967 0.548 1.619 418 HG11 VAL 58 1HG1 VAL 58 -7.273 -0.001 -0.119 419 HG12 VAL 58 2HG1 VAL 58 -8.148 -1.497 -0.447 420 HG13 VAL 58 3HG1 VAL 58 -7.422 -1.231 1.138 421 HG21 VAL 58 3HG2 VAL 58 -10.165 0.153 -1.155 422 HG22 VAL 58 1HG2 VAL 58 -9.138 1.509 -0.667 423 HG23 VAL 58 2HG2 VAL 58 -10.725 1.292 0.071 424 H LEU 59 H LEU 59 -9.585 -0.835 3.749 425 HA LEU 59 HA LEU 59 -7.687 -2.922 3.994 426 HB2 LEU 59 2HB LEU 59 -9.013 -1.247 6.139 427 HB3 LEU 59 3HB LEU 59 -7.715 -2.390 6.455 428 HG LEU 59 HG LEU 59 -7.551 0.164 4.806 429 HD11 LEU 59 1HD1 LEU 59 -5.881 0.826 6.480 430 HD12 LEU 59 2HD1 LEU 59 -6.152 -0.682 7.357 431 HD13 LEU 59 3HD1 LEU 59 -7.452 0.503 7.214 432 HD21 LEU 59 3HD2 LEU 59 -6.238 -1.535 3.641 433 HD22 LEU 59 1HD2 LEU 59 -5.406 -1.966 5.141 434 HD23 LEU 59 2HD2 LEU 59 -5.170 -0.372 4.419 435 HA PRO 60 HA PRO 60 -11.118 -5.609 6.174 436 HB2 PRO 60 2HB PRO 60 -13.762 -4.998 5.660 437 HB3 PRO 60 3HB PRO 60 -12.887 -4.391 7.078 438 HG2 PRO 60 2HG PRO 60 -13.442 -3.003 4.480 439 HG3 PRO 60 3HG PRO 60 -13.588 -2.379 6.135 440 HD2 PRO 60 2HD PRO 60 -11.452 -1.809 4.579 441 HD3 PRO 60 3HD PRO 60 -11.298 -2.009 6.341 442 H LYS 61 H LYS 61 -11.153 -4.311 2.969 443 HA LYS 61 HA LYS 61 -12.493 -6.492 1.650 444 HB2 LYS 61 2HB LYS 61 -12.338 -4.212 0.681 445 HB3 LYS 61 3HB LYS 61 -10.597 -4.383 0.527 446 HG2 LYS 61 2HG LYS 61 -10.836 -6.054 -1.204 447 HG3 LYS 61 3HG LYS 61 -12.578 -6.175 -0.926 448 HD2 LYS 61 2HD LYS 61 -12.868 -3.833 -1.700 449 HD3 LYS 61 3HD LYS 61 -11.131 -3.699 -1.970 450 HE2 LYS 61 2HE LYS 61 -12.886 -5.708 -3.428 451 HE3 LYS 61 3HE LYS 61 -12.547 -4.092 -4.042 452 HZ1 LYS 61 3HZ LYS 61 -10.193 -4.634 -4.063 453 HZ2 LYS 61 1HZ LYS 61 -11.076 -5.715 -5.018 454 HZ3 LYS 61 2HZ LYS 61 -10.520 -6.191 -3.494 455 H TYR 62 H TYR 62 -9.036 -5.590 2.035 456 HA TYR 62 HA TYR 62 -8.255 -8.311 1.092 457 HB2 TYR 62 2HB TYR 62 -6.716 -5.703 1.250 458 HB3 TYR 62 3HB TYR 62 -5.889 -7.244 1.016 459 HD1 TYR 62 HD2 TYR 62 -8.310 -4.881 -0.508 460 HD2 TYR 62 HD1 TYR 62 -6.019 -8.434 -1.096 461 HE1 TYR 62 HE2 TYR 62 -8.815 -4.814 -2.907 462 HE2 TYR 62 HE1 TYR 62 -6.540 -8.376 -3.485 463 HH TYR 62 HH TYR 62 -8.088 -7.471 -4.999 464 H PHE 63 H PHE 63 -7.977 -6.281 3.917 465 HA PHE 63 HA PHE 63 -6.382 -8.353 5.331 466 HB2 PHE 63 2HB PHE 63 -6.654 -5.392 6.087 467 HB3 PHE 63 3HB PHE 63 -5.482 -6.554 6.706 468 HD1 PHE 63 HD2 PHE 63 -3.703 -7.478 5.076 469 HD2 PHE 63 HD1 PHE 63 -6.145 -4.093 4.141 470 HE1 PHE 63 HE2 PHE 63 -2.147 -6.830 3.288 471 HE2 PHE 63 HE1 PHE 63 -4.583 -3.464 2.348 472 HZ PHE 63 HZ PHE 63 -2.578 -4.833 1.921 473 H LYS 64 H LYS 64 -6.934 -7.851 7.963 474 HA LYS 64 HA LYS 64 -9.851 -8.399 8.152 475 HB2 LYS 64 2HB LYS 64 -7.580 -9.488 9.889 476 HB3 LYS 64 3HB LYS 64 -9.289 -9.852 10.096 477 HG2 LYS 64 2HG LYS 64 -7.559 -10.628 7.731 478 HG3 LYS 64 3HG LYS 64 -8.116 -11.705 9.007 479 HD2 LYS 64 2HD LYS 64 -9.995 -10.250 7.097 480 HD3 LYS 64 3HD LYS 64 -9.364 -11.866 6.796 481 HE2 LYS 64 2HE LYS 64 -11.564 -12.134 7.697 482 HE3 LYS 64 3HE LYS 64 -10.439 -12.601 8.967 483 HZ1 LYS 64 3HZ LYS 64 -11.768 -9.945 8.796 484 HZ2 LYS 64 1HZ LYS 64 -10.818 -10.514 10.069 485 HZ3 LYS 64 2HZ LYS 64 -12.319 -11.228 9.748 486 H HIS 65 H HIS 65 -8.928 -5.762 8.237 487 HA HIS 65 HA HIS 65 -9.830 -4.851 10.815 488 HB2 HIS 65 2HB HIS 65 -7.813 -3.535 11.419 489 HB3 HIS 65 3HB HIS 65 -7.424 -5.253 11.354 490 HD1 HIS 65 HD1 HIS 65 -6.571 -1.989 9.764 491 HD2 HIS 65 HD2 HIS 65 -5.763 -6.012 9.147 492 HE1 HIS 65 HE1 HIS 65 -4.653 -2.054 8.150 493 HE2 HIS 65 HE2 HIS 65 -4.032 -4.480 8.012 494 H ASN 66 H ASN 66 -9.876 -2.411 10.863 495 HA ASN 66 HA ASN 66 -10.044 -1.219 8.147 496 HB2 ASN 66 2HB ASN 66 -11.886 -0.576 10.500 497 HB3 ASN 66 3HB ASN 66 -11.890 0.237 8.936 498 HD21 ASN 66 1HD2 ASN 66 -13.978 -0.261 8.417 499 HD22 ASN 66 2HD2 ASN 66 -14.527 -1.867 8.088 500 H ASN 67 H ASN 67 -8.474 -1.107 11.122 501 HA ASN 67 HA ASN 67 -8.006 1.747 11.310 502 HB2 ASN 67 2HB ASN 67 -7.956 0.326 13.336 503 HB3 ASN 67 3HB ASN 67 -6.619 -0.611 12.675 504 HD21 ASN 67 1HD2 ASN 67 -5.253 -0.121 14.412 505 HD22 ASN 67 2HD2 ASN 67 -4.600 1.457 14.676 506 H MET 68 H MET 68 -6.569 2.857 10.114 507 HA MET 68 HA MET 68 -4.786 1.407 8.295 508 HB2 MET 68 2HB MET 68 -6.154 3.307 7.383 509 HB3 MET 68 3HB MET 68 -5.220 4.429 8.367 510 HG2 MET 68 2HG MET 68 -3.175 3.710 7.168 511 HG3 MET 68 3HG MET 68 -4.153 2.623 6.179 512 HE1 MET 68 3HE MET 68 -3.175 3.597 4.043 513 HE2 MET 68 1HE MET 68 -2.154 4.704 4.965 514 HE3 MET 68 2HE MET 68 -3.139 5.312 3.633 515 H ALA 69 H ALA 69 -4.537 3.127 11.285 516 HA ALA 69 HA ALA 69 -1.868 3.917 11.354 517 HB1 ALA 69 3HB ALA 69 -2.018 3.629 13.801 518 HB2 ALA 69 1HB ALA 69 -3.493 2.673 13.601 519 HB3 ALA 69 2HB ALA 69 -3.478 4.379 13.154 520 H SER 70 H SER 70 -3.276 0.716 11.822 521 HA SER 70 HA SER 70 -0.899 -0.734 12.391 522 HB2 SER 70 2HB SER 70 -3.112 -1.637 12.921 523 HB3 SER 70 3HB SER 70 -3.542 -1.674 11.211 524 HG SER 70 HG SER 70 -1.700 -3.275 12.635 525 H PHE 71 H PHE 71 -2.653 -0.001 9.367 526 HA PHE 71 HA PHE 71 -1.330 -1.780 7.618 527 HB2 PHE 71 2HB PHE 71 -3.465 -0.812 6.959 528 HB3 PHE 71 3HB PHE 71 -2.863 0.827 7.142 529 HD1 PHE 71 HD1 PHE 71 -2.656 -2.229 5.003 530 HD2 PHE 71 HD2 PHE 71 -1.780 1.947 5.288 531 HE1 PHE 71 HE1 PHE 71 -2.079 -2.180 2.614 532 HE2 PHE 71 HE2 PHE 71 -1.199 1.985 2.896 533 HZ PHE 71 HZ PHE 71 -1.329 -0.086 1.563 534 H VAL 72 H VAL 72 -0.848 1.692 8.213 535 HA VAL 72 HA VAL 72 1.430 2.124 6.648 536 HB VAL 72 HB VAL 72 0.556 3.587 9.190 537 HG11 VAL 72 1HG1 VAL 72 1.845 5.511 8.318 538 HG12 VAL 72 2HG1 VAL 72 2.413 4.527 6.969 539 HG13 VAL 72 3HG1 VAL 72 2.892 4.120 8.617 540 HG21 VAL 72 3HG2 VAL 72 -1.216 3.543 7.470 541 HG22 VAL 72 1HG2 VAL 72 -0.094 4.197 6.277 542 HG23 VAL 72 2HG2 VAL 72 -0.573 5.174 7.670 543 H ARG 73 H ARG 73 1.135 1.257 10.144 544 HA ARG 73 HA ARG 73 3.854 1.383 10.822 545 HB2 ARG 73 2HB ARG 73 2.159 1.231 12.575 546 HB3 ARG 73 3HB ARG 73 1.661 -0.367 12.027 547 HG2 ARG 73 2HG ARG 73 3.744 -1.352 12.755 548 HG3 ARG 73 3HG ARG 73 4.450 0.231 13.078 549 HD2 ARG 73 2HD ARG 73 2.837 0.569 14.924 550 HD3 ARG 73 3HD ARG 73 2.130 -1.016 14.591 551 HE ARG 73 HE ARG 73 3.893 -2.024 15.644 552 HH11 ARG 73 1HH1 ARG 73 4.801 1.347 15.111 553 HH12 ARG 73 2HH1 ARG 73 6.240 1.228 16.075 554 HH21 ARG 73 1HH2 ARG 73 5.813 -2.161 16.858 555 HH22 ARG 73 2HH2 ARG 73 6.810 -0.754 17.061 556 H GLN 74 H GLN 74 1.986 -1.262 9.366 557 HA GLN 74 HA GLN 74 3.955 -3.282 9.483 558 HB2 GLN 74 2HB GLN 74 1.814 -2.866 7.353 559 HB3 GLN 74 3HB GLN 74 2.766 -4.331 7.551 560 HG2 GLN 74 2HG GLN 74 0.663 -3.230 9.415 561 HG3 GLN 74 3HG GLN 74 0.601 -4.716 8.477 562 HE21 GLN 74 1HE2 GLN 74 1.733 -3.209 11.366 563 HE22 GLN 74 2HE2 GLN 74 2.367 -4.627 12.118 564 H LEU 75 H LEU 75 3.175 -0.881 6.947 565 HA LEU 75 HA LEU 75 5.138 -1.660 5.095 566 HB2 LEU 75 2HB LEU 75 3.644 0.965 5.459 567 HB3 LEU 75 3HB LEU 75 4.702 0.648 4.089 568 HG LEU 75 HG LEU 75 2.247 -1.029 4.767 569 HD11 LEU 75 1HD1 LEU 75 2.548 1.103 2.638 570 HD12 LEU 75 2HD1 LEU 75 1.572 1.220 4.105 571 HD13 LEU 75 3HD1 LEU 75 1.154 0.042 2.863 572 HD21 LEU 75 3HD2 LEU 75 4.067 -1.053 2.335 573 HD22 LEU 75 1HD2 LEU 75 2.544 -1.940 2.479 574 HD23 LEU 75 2HD2 LEU 75 3.896 -2.328 3.548 575 H ASN 76 H ASN 76 5.286 0.706 7.763 576 HA ASN 76 HA ASN 76 7.860 1.715 7.385 577 HB2 ASN 76 2HB ASN 76 6.294 1.148 9.936 578 HB3 ASN 76 3HB ASN 76 7.938 1.762 10.020 579 HD21 ASN 76 1HD2 ASN 76 4.651 2.539 9.181 580 HD22 ASN 76 2HD2 ASN 76 4.881 4.237 9.029 581 H MET 77 H MET 77 6.862 -1.290 9.013 582 HA MET 77 HA MET 77 9.491 -2.203 9.662 583 HB2 MET 77 2HB MET 77 6.899 -3.792 9.406 584 HB3 MET 77 3HB MET 77 8.382 -4.386 10.135 585 HG2 MET 77 2HG MET 77 8.189 -2.520 11.824 586 HG3 MET 77 3HG MET 77 6.588 -2.189 11.166 587 HE1 MET 77 3HE MET 77 4.892 -5.783 11.900 588 HE2 MET 77 1HE MET 77 5.867 -5.436 10.475 589 HE3 MET 77 2HE MET 77 4.675 -4.260 11.040 590 H TYR 78 H TYR 78 7.478 -2.472 6.794 591 HA TYR 78 HA TYR 78 9.168 -4.441 5.461 592 HB2 TYR 78 2HB TYR 78 6.786 -2.802 4.496 593 HB3 TYR 78 3HB TYR 78 7.662 -3.924 3.465 594 HD1 TYR 78 HD1 TYR 78 7.966 -6.383 4.660 595 HD2 TYR 78 HD2 TYR 78 4.772 -3.648 5.376 596 HE1 TYR 78 HE1 TYR 78 6.540 -8.231 5.415 597 HE2 TYR 78 HE2 TYR 78 3.358 -5.499 6.142 598 HH TYR 78 HH TYR 78 3.162 -7.848 5.995 599 H GLY 79 H GLY 79 9.592 -1.248 6.191 600 HA2 GLY 79 2HA GLY 79 11.564 -0.109 5.728 601 HA3 GLY 79 3HA GLY 79 11.807 -1.096 4.299 602 H PHE 80 H PHE 80 8.647 0.123 4.285 603 HA PHE 80 HA PHE 80 9.189 1.809 2.003 604 HB2 PHE 80 2HB PHE 80 6.615 1.163 3.528 605 HB3 PHE 80 3HB PHE 80 6.660 2.274 2.165 606 HD1 PHE 80 HD1 PHE 80 7.494 -1.287 3.061 607 HD2 PHE 80 HD2 PHE 80 6.310 1.440 -0.016 608 HE1 PHE 80 HE1 PHE 80 7.115 -3.175 1.522 609 HE2 PHE 80 HE2 PHE 80 5.937 -0.453 -1.541 610 HZ PHE 80 HZ PHE 80 6.336 -2.759 -0.777 611 H ARG 81 H ARG 81 8.982 4.085 1.944 612 HA ARG 81 HA ARG 81 9.302 5.404 4.571 613 HB2 ARG 81 2HB ARG 81 11.177 5.705 2.972 614 HB3 ARG 81 3HB ARG 81 10.075 6.396 1.788 615 HG2 ARG 81 2HG ARG 81 9.650 8.316 3.252 616 HG3 ARG 81 3HG ARG 81 10.669 7.615 4.508 617 HD2 ARG 81 2HD ARG 81 12.648 7.852 3.051 618 HD3 ARG 81 3HD ARG 81 11.629 8.497 1.756 619 HE ARG 81 HE ARG 81 11.262 10.053 4.069 620 HH11 ARG 81 1HH1 ARG 81 13.807 9.494 1.690 621 HH12 ARG 81 2HH1 ARG 81 14.500 11.072 1.894 622 HH21 ARG 81 1HH2 ARG 81 12.148 12.120 4.289 623 HH22 ARG 81 2HH2 ARG 81 13.554 12.561 3.374 624 H LYS 82 H LYS 82 7.813 6.767 5.303 625 HA LYS 82 HA LYS 82 5.327 7.360 4.067 626 HB2 LYS 82 2HB LYS 82 5.551 7.151 6.495 627 HB3 LYS 82 3HB LYS 82 6.824 8.361 6.535 628 HG2 LYS 82 2HG LYS 82 4.873 9.364 7.443 629 HG3 LYS 82 3HG LYS 82 5.116 10.079 5.846 630 HD2 LYS 82 2HD LYS 82 3.406 8.458 4.948 631 HD3 LYS 82 3HD LYS 82 3.104 7.925 6.604 632 HE2 LYS 82 2HE LYS 82 2.483 10.289 7.180 633 HE3 LYS 82 3HE LYS 82 2.676 10.706 5.473 634 HZ1 LYS 82 3HZ LYS 82 0.936 9.117 4.949 635 HZ2 LYS 82 1HZ LYS 82 0.380 10.312 5.990 636 HZ3 LYS 82 2HZ LYS 82 0.729 8.770 6.580 637 H VAL 83 H VAL 83 5.311 8.736 2.266 638 HA VAL 83 HA VAL 83 6.927 11.226 2.366 639 HB VAL 83 HB VAL 83 5.842 9.827 -0.130 640 HG11 VAL 83 1HG1 VAL 83 7.757 12.172 0.152 641 HG12 VAL 83 2HG1 VAL 83 6.095 12.242 -0.439 642 HG13 VAL 83 3HG1 VAL 83 7.323 11.381 -1.369 643 HG21 VAL 83 3HG2 VAL 83 8.174 9.159 -0.601 644 HG22 VAL 83 1HG2 VAL 83 7.588 8.446 0.904 645 HG23 VAL 83 2HG2 VAL 83 8.685 9.829 0.952 646 H VAL 84 H VAL 84 5.699 12.883 2.900 647 HA VAL 84 HA VAL 84 2.767 12.732 2.745 648 HB VAL 84 HB VAL 84 4.415 14.892 4.150 649 HG11 VAL 84 1HG1 VAL 84 1.583 13.905 4.662 650 HG12 VAL 84 2HG1 VAL 84 2.028 15.412 3.855 651 HG13 VAL 84 3HG1 VAL 84 2.418 15.177 5.560 652 HG21 VAL 84 3HG2 VAL 84 5.179 12.724 5.016 653 HG22 VAL 84 1HG2 VAL 84 3.517 12.272 5.389 654 HG23 VAL 84 2HG2 VAL 84 4.277 13.615 6.242 655 H HIS 85 H HIS 85 2.167 13.392 0.680 656 HA HIS 85 HA HIS 85 3.373 15.792 -0.528 657 HB2 HIS 85 2HB HIS 85 1.297 13.846 -1.617 658 HB3 HIS 85 3HB HIS 85 1.964 15.207 -2.515 659 HD1 HIS 85 HD1 HIS 85 4.452 15.031 -3.275 660 HD2 HIS 85 HD2 HIS 85 2.955 11.575 -1.516 661 HE1 HIS 85 HE1 HIS 85 6.081 13.218 -3.860 662 HE2 HIS 85 HE2 HIS 85 5.226 11.182 -2.673 663 H ILE 86 H ILE 86 -0.010 14.648 -0.155 664 HA ILE 86 HA ILE 86 -1.010 17.299 0.396 665 HB ILE 86 HB ILE 86 -2.293 14.544 0.666 666 HG12 ILE 86 2HG1 ILE 86 -2.006 15.371 -1.663 667 HG13 ILE 86 3HG1 ILE 86 -3.703 15.249 -1.228 668 HG21 ILE 86 1HG2 ILE 86 -4.453 15.696 1.144 669 HG22 ILE 86 2HG2 ILE 86 -3.589 17.228 1.295 670 HG23 ILE 86 3HG2 ILE 86 -3.268 15.916 2.432 671 HD11 ILE 86 3HD1 ILE 86 -3.268 17.233 -2.540 672 HD12 ILE 86 1HD1 ILE 86 -2.087 17.797 -1.358 673 HD13 ILE 86 2HD1 ILE 86 -3.795 17.683 -0.919 674 H GLU 87 H GLU 87 -0.060 18.163 2.106 675 HA GLU 87 HA GLU 87 0.261 16.781 4.654 676 HB2 GLU 87 2HB GLU 87 0.778 19.710 3.954 677 HB3 GLU 87 3HB GLU 87 1.299 18.872 5.416 678 HG2 GLU 87 2HG GLU 87 2.794 17.440 4.089 679 HG3 GLU 87 3HG GLU 87 2.230 18.204 2.606 680 H GLN 88 H GLN 88 -1.264 16.853 6.234 681 HA GLN 88 HA GLN 88 -3.783 18.196 5.739 682 HB2 GLN 88 2HB GLN 88 -2.869 16.325 7.949 683 HB3 GLN 88 3HB GLN 88 -4.450 17.094 7.971 684 HG2 GLN 88 2HG GLN 88 -3.442 15.223 5.810 685 HG3 GLN 88 3HG GLN 88 -4.535 14.783 7.121 686 HE21 GLN 88 1HE2 GLN 88 -6.341 14.287 5.996 687 HE22 GLN 88 2HE2 GLN 88 -7.178 15.340 4.920 688 H GLY 89 H GLY 89 -4.171 20.177 6.241 689 HA2 GLY 89 2HA GLY 89 -4.106 21.234 8.841 690 HA3 GLY 89 3HA GLY 89 -2.704 21.850 7.963 691 H GLY 90 H GLY 90 -3.828 23.900 8.388 692 HA2 GLY 90 2HA GLY 90 -6.119 24.607 6.714 693 HA3 GLY 90 3HA GLY 90 -5.207 25.677 7.777 694 H LEU 91 H LEU 91 -4.514 23.657 4.900 695 HA LEU 91 HA LEU 91 -2.670 25.726 3.861 696 HB2 LEU 91 2HB LEU 91 -2.855 22.775 3.110 697 HB3 LEU 91 3HB LEU 91 -1.600 23.903 2.617 698 HG LEU 91 HG LEU 91 -2.059 22.783 5.411 699 HD11 LEU 91 1HD1 LEU 91 0.155 21.772 5.113 700 HD12 LEU 91 2HD1 LEU 91 0.261 22.453 3.489 701 HD13 LEU 91 3HD1 LEU 91 -0.964 21.240 3.859 702 HD21 LEU 91 3HD2 LEU 91 -1.374 25.106 5.669 703 HD22 LEU 91 1HD2 LEU 91 -0.023 24.869 4.556 704 HD23 LEU 91 2HD2 LEU 91 -0.044 24.040 6.116 705 H VAL 92 H VAL 92 -2.477 25.441 1.329 706 HA VAL 92 HA VAL 92 -5.040 25.974 0.093 707 HB VAL 92 HB VAL 92 -2.994 27.234 -0.585 708 HG11 VAL 92 1HG1 VAL 92 -1.986 24.610 -1.739 709 HG12 VAL 92 2HG1 VAL 92 -1.304 25.479 -0.364 710 HG13 VAL 92 3HG1 VAL 92 -1.233 26.193 -1.976 711 HG21 VAL 92 3HG2 VAL 92 -3.331 27.147 -3.040 712 HG22 VAL 92 1HG2 VAL 92 -4.868 27.097 -2.171 713 HG23 VAL 92 2HG2 VAL 92 -4.201 25.620 -2.869 714 H LYS 93 H LYS 93 -2.827 23.277 0.391 715 HA LYS 93 HA LYS 93 -3.690 21.584 -1.697 716 HB2 LYS 93 2HB LYS 93 -2.482 20.908 1.026 717 HB3 LYS 93 3HB LYS 93 -2.678 19.745 -0.285 718 HG2 LYS 93 2HG LYS 93 -1.132 20.996 -1.692 719 HG3 LYS 93 3HG LYS 93 -0.994 22.261 -0.464 720 HD2 LYS 93 2HD LYS 93 0.066 20.680 1.096 721 HD3 LYS 93 3HD LYS 93 -0.149 19.357 -0.057 722 HE2 LYS 93 2HE LYS 93 1.391 20.418 -1.625 723 HE3 LYS 93 3HE LYS 93 1.529 21.836 -0.582 724 HZ1 LYS 93 3HZ LYS 93 3.414 20.325 -0.373 725 HZ2 LYS 93 1HZ LYS 93 2.392 19.091 0.152 726 HZ3 LYS 93 2HZ LYS 93 2.587 20.482 1.094 727 HA PRO 94 HA PRO 94 -7.776 20.493 -0.032 728 HB2 PRO 94 2HB PRO 94 -8.408 18.410 -1.700 729 HB3 PRO 94 3HB PRO 94 -8.376 20.088 -2.272 730 HG2 PRO 94 2HG PRO 94 -6.262 17.977 -2.551 731 HG3 PRO 94 3HG PRO 94 -6.891 19.103 -3.779 732 HD2 PRO 94 2HD PRO 94 -4.562 19.586 -2.461 733 HD3 PRO 94 3HD PRO 94 -5.640 20.905 -2.972 734 H GLU 95 H GLU 95 -8.771 18.738 1.212 735 HA GLU 95 HA GLU 95 -6.761 17.587 2.917 736 HB2 GLU 95 2HB GLU 95 -8.551 17.031 4.440 737 HB3 GLU 95 3HB GLU 95 -8.813 18.659 3.829 738 HG2 GLU 95 2HG GLU 95 -10.585 17.909 2.366 739 HG3 GLU 95 3HG GLU 95 -10.238 16.216 2.721 740 H ARG 96 H ARG 96 -7.711 16.313 0.090 741 HA ARG 96 HA ARG 96 -8.369 13.622 0.696 742 HB2 ARG 96 2HB ARG 96 -7.765 13.125 -1.662 743 HB3 ARG 96 3HB ARG 96 -8.841 14.504 -1.519 744 HG2 ARG 96 2HG ARG 96 -7.001 16.048 -1.952 745 HG3 ARG 96 3HG ARG 96 -5.846 14.714 -1.945 746 HD2 ARG 96 2HD ARG 96 -7.055 13.748 -3.936 747 HD3 ARG 96 3HD ARG 96 -8.055 15.204 -3.976 748 HE ARG 96 HE ARG 96 -5.183 15.645 -4.051 749 HH11 ARG 96 1HH1 ARG 96 -8.074 15.234 -6.027 750 HH12 ARG 96 2HH1 ARG 96 -7.364 15.978 -7.426 751 HH21 ARG 96 1HH2 ARG 96 -4.263 16.599 -5.889 752 HH22 ARG 96 2HH2 ARG 96 -5.200 16.752 -7.343 753 H ASP 97 H ASP 97 -7.029 13.029 2.347 754 HA ASP 97 HA ASP 97 -4.387 13.087 2.817 755 HB2 ASP 97 2HB ASP 97 -6.209 10.684 3.223 756 HB3 ASP 97 3HB ASP 97 -4.600 10.804 3.915 757 H ASP 98 H ASP 98 -2.688 12.752 1.492 758 HA ASP 98 HA ASP 98 -2.647 10.391 -0.286 759 HB2 ASP 98 2HB ASP 98 -2.890 12.413 -1.664 760 HB3 ASP 98 3HB ASP 98 -1.476 13.131 -0.899 761 H THR 99 H THR 99 -1.243 8.992 0.440 762 HA THR 99 HA THR 99 1.399 9.894 1.441 763 HB THR 99 HB THR 99 -0.017 7.269 2.141 764 HG1 THR 99 HG1 THR 99 -0.709 9.431 3.094 765 HG21 THR 99 3HG2 THR 99 2.469 7.088 2.120 766 HG22 THR 99 1HG2 THR 99 1.826 6.977 3.761 767 HG23 THR 99 2HG2 THR 99 2.573 8.476 3.207 768 H GLU 100 H GLU 100 3.071 9.260 0.239 769 HA GLU 100 HA GLU 100 2.737 7.117 -1.781 770 HB2 GLU 100 2HB GLU 100 3.430 9.326 -2.653 771 HB3 GLU 100 3HB GLU 100 4.822 9.330 -1.574 772 HG2 GLU 100 2HG GLU 100 5.715 7.325 -2.765 773 HG3 GLU 100 3HG GLU 100 4.328 7.388 -3.860 774 H PHE 101 H PHE 101 3.365 5.209 -0.912 775 HA PHE 101 HA PHE 101 5.635 5.073 0.958 776 HB2 PHE 101 2HB PHE 101 3.624 2.975 0.025 777 HB3 PHE 101 3HB PHE 101 4.981 2.614 1.081 778 HD1 PHE 101 HD1 PHE 101 5.100 3.823 3.348 779 HD2 PHE 101 HD2 PHE 101 1.551 3.719 0.950 780 HE1 PHE 101 HE1 PHE 101 3.736 4.328 5.329 781 HE2 PHE 101 HE2 PHE 101 0.197 4.228 2.942 782 HZ PHE 101 HZ PHE 101 1.291 4.534 5.128 783 H GLN 102 H GLN 102 7.591 4.726 0.154 784 HA GLN 102 HA GLN 102 7.917 3.588 -2.568 785 HB2 GLN 102 2HB GLN 102 9.988 5.005 -2.728 786 HB3 GLN 102 3HB GLN 102 8.497 5.931 -2.615 787 HG2 GLN 102 2HG GLN 102 8.926 6.497 -0.312 788 HG3 GLN 102 3HG GLN 102 10.309 5.406 -0.240 789 HE21 GLN 102 1HE2 GLN 102 10.258 8.215 0.364 790 HE22 GLN 102 2HE2 GLN 102 11.369 8.985 -0.707 791 H HIS 103 H HIS 103 9.432 2.027 -2.904 792 HA HIS 103 HA HIS 103 11.428 1.304 -0.935 793 HB2 HIS 103 2HB HIS 103 9.217 0.214 -0.146 794 HB3 HIS 103 3HB HIS 103 9.301 -0.799 -1.579 795 HD1 HIS 103 HD1 HIS 103 10.670 -2.911 -1.349 796 HD2 HIS 103 HD2 HIS 103 11.418 -0.185 1.686 797 HE1 HIS 103 HE1 HIS 103 12.218 -4.064 0.250 798 HE2 HIS 103 HE2 HIS 103 12.672 -2.395 2.059 799 HA PRO 104 HA PRO 104 13.349 0.363 -4.899 800 HB2 PRO 104 2HB PRO 104 15.522 -1.125 -4.055 801 HB3 PRO 104 3HB PRO 104 15.414 0.635 -3.851 802 HG2 PRO 104 2HG PRO 104 14.766 -1.523 -1.849 803 HG3 PRO 104 3HG PRO 104 15.758 -0.057 -1.636 804 HD2 PRO 104 2HD PRO 104 13.220 -0.106 -0.791 805 HD3 PRO 104 3HD PRO 104 13.876 1.362 -1.558 806 H CYS 105 H CYS 105 12.532 -2.242 -2.673 807 HA CYS 105 HA CYS 105 12.686 -4.294 -4.790 808 HB2 CYS 105 2HB CYS 105 12.118 -4.683 -1.825 809 HB3 CYS 105 3HB CYS 105 12.530 -5.928 -3.005 810 HG CYS 105 HG CYS 105 15.027 -4.127 -3.363 811 H PHE 106 H PHE 106 10.542 -2.067 -4.317 812 HA PHE 106 HA PHE 106 8.298 -3.874 -4.984 813 HB2 PHE 106 2HB PHE 106 7.892 -2.709 -2.790 814 HB3 PHE 106 3HB PHE 106 8.100 -1.156 -3.584 815 HD1 PHE 106 HD1 PHE 106 5.842 -4.042 -3.126 816 HD2 PHE 106 HD2 PHE 106 6.313 -0.251 -5.062 817 HE1 PHE 106 HE1 PHE 106 3.435 -3.991 -3.633 818 HE2 PHE 106 HE2 PHE 106 3.904 -0.213 -5.563 819 HZ PHE 106 HZ PHE 106 2.461 -2.078 -4.846 820 H LEU 107 H LEU 107 8.567 -3.784 -7.188 821 HA LEU 107 HA LEU 107 8.464 -1.134 -8.512 822 HB2 LEU 107 2HB LEU 107 9.202 -3.823 -9.727 823 HB3 LEU 107 3HB LEU 107 9.262 -2.267 -10.540 824 HG LEU 107 HG LEU 107 11.061 -3.181 -8.256 825 HD11 LEU 107 1HD1 LEU 107 11.709 -2.626 -11.168 826 HD12 LEU 107 2HD1 LEU 107 11.638 -4.211 -10.392 827 HD13 LEU 107 3HD1 LEU 107 12.875 -3.053 -9.909 828 HD21 LEU 107 3HD2 LEU 107 12.287 -1.061 -8.545 829 HD22 LEU 107 1HD2 LEU 107 10.631 -0.791 -8.003 830 HD23 LEU 107 2HD2 LEU 107 11.063 -0.505 -9.691 831 H ARG 108 H ARG 108 7.168 -1.358 -10.727 832 HA ARG 108 HA ARG 108 4.492 -1.391 -9.838 833 HB2 ARG 108 2HB ARG 108 3.854 -0.584 -12.002 834 HB3 ARG 108 3HB ARG 108 5.400 0.146 -11.616 835 HG2 ARG 108 2HG ARG 108 5.071 -2.242 -13.464 836 HG3 ARG 108 3HG ARG 108 5.117 -0.571 -14.017 837 HD2 ARG 108 2HD ARG 108 7.420 -0.343 -13.155 838 HD3 ARG 108 3HD ARG 108 7.371 -2.009 -12.563 839 HE ARG 108 HE ARG 108 6.872 -2.459 -15.108 840 HH11 ARG 108 1HH1 ARG 108 9.271 -0.250 -13.790 841 HH12 ARG 108 2HH1 ARG 108 10.339 -0.414 -15.149 842 HH21 ARG 108 1HH2 ARG 108 8.284 -2.649 -16.882 843 HH22 ARG 108 2HH2 ARG 108 9.779 -1.770 -16.892 844 H GLY 109 H GLY 109 6.295 -3.861 -11.599 845 HA2 GLY 109 2HA GLY 109 3.905 -5.615 -11.664 846 HA3 GLY 109 3HA GLY 109 4.824 -5.332 -13.135 847 H GLN 110 H GLN 110 6.609 -5.444 -10.181 848 HA GLN 110 HA GLN 110 7.700 -8.092 -10.943 849 HB2 GLN 110 2HB GLN 110 9.002 -5.688 -9.609 850 HB3 GLN 110 3HB GLN 110 9.739 -7.285 -9.576 851 HG2 GLN 110 2HG GLN 110 10.832 -6.279 -11.359 852 HG3 GLN 110 3HG GLN 110 9.566 -7.189 -12.169 853 HE21 GLN 110 1HE2 GLN 110 11.069 -4.932 -13.157 854 HE22 GLN 110 2HE2 GLN 110 9.924 -3.700 -13.551 855 H GLU 111 H GLU 111 5.965 -9.114 -9.805 856 HA GLU 111 HA GLU 111 5.360 -8.774 -7.058 857 HB2 GLU 111 2HB GLU 111 4.041 -10.860 -7.313 858 HB3 GLU 111 3HB GLU 111 3.756 -9.725 -8.630 859 HG2 GLU 111 2HG GLU 111 5.196 -11.012 -10.122 860 HG3 GLU 111 3HG GLU 111 5.632 -12.107 -8.814 861 H GLN 112 H GLN 112 7.742 -10.784 -8.644 862 HA GLN 112 HA GLN 112 8.251 -12.562 -6.469 863 HB2 GLN 112 2HB GLN 112 10.089 -13.434 -7.717 864 HB3 GLN 112 3HB GLN 112 8.828 -13.065 -8.879 865 HG2 GLN 112 2HG GLN 112 11.274 -11.348 -8.361 866 HG3 GLN 112 3HG GLN 112 11.108 -12.505 -9.679 867 HE21 GLN 112 1HE2 GLN 112 11.611 -9.647 -9.821 868 HE22 GLN 112 2HE2 GLN 112 10.342 -8.993 -10.795 869 H LEU 113 H LEU 113 8.924 -9.290 -6.731 870 HA LEU 113 HA LEU 113 11.325 -9.326 -5.061 871 HB2 LEU 113 2HB LEU 113 9.676 -7.018 -6.150 872 HB3 LEU 113 3HB LEU 113 11.114 -6.821 -5.165 873 HG LEU 113 HG LEU 113 11.001 -7.988 -7.978 874 HD11 LEU 113 1HD1 LEU 113 12.352 -6.033 -8.602 875 HD12 LEU 113 2HD1 LEU 113 12.285 -5.435 -6.941 876 HD13 LEU 113 3HD1 LEU 113 10.809 -5.538 -7.904 877 HD21 LEU 113 3HD2 LEU 113 12.676 -9.200 -6.659 878 HD22 LEU 113 1HD2 LEU 113 13.419 -7.675 -6.168 879 HD23 LEU 113 2HD2 LEU 113 13.448 -8.173 -7.863 880 H LEU 114 H LEU 114 7.990 -9.575 -4.487 881 HA LEU 114 HA LEU 114 7.736 -8.115 -2.051 882 HB2 LEU 114 2HB LEU 114 6.186 -10.545 -3.025 883 HB3 LEU 114 3HB LEU 114 5.739 -9.580 -1.627 884 HG LEU 114 HG LEU 114 5.817 -8.534 -4.489 885 HD11 LEU 114 1HD1 LEU 114 4.054 -10.221 -4.188 886 HD12 LEU 114 2HD1 LEU 114 3.376 -8.615 -4.422 887 HD13 LEU 114 3HD1 LEU 114 3.414 -9.326 -2.805 888 HD21 LEU 114 3HD2 LEU 114 4.620 -6.573 -3.589 889 HD22 LEU 114 1HD2 LEU 114 6.212 -6.747 -2.850 890 HD23 LEU 114 2HD2 LEU 114 4.766 -7.220 -1.953 891 H GLU 115 H GLU 115 8.901 -11.371 -2.794 892 HA GLU 115 HA GLU 115 9.142 -12.272 -0.057 893 HB2 GLU 115 2HB GLU 115 10.537 -14.119 -1.020 894 HB3 GLU 115 3HB GLU 115 8.968 -13.959 -1.796 895 HG2 GLU 115 2HG GLU 115 10.060 -12.718 -3.669 896 HG3 GLU 115 3HG GLU 115 11.620 -12.980 -2.895 897 H ASN 116 H ASN 116 10.942 -10.141 -2.021 898 HA ASN 116 HA ASN 116 13.518 -10.490 -0.716 899 HB2 ASN 116 2HB ASN 116 12.500 -8.305 -2.591 900 HB3 ASN 116 3HB ASN 116 14.147 -8.415 -1.990 901 HD21 ASN 116 1HD2 ASN 116 12.123 -11.110 -3.187 902 HD22 ASN 116 2HD2 ASN 116 13.115 -11.444 -4.552 903 H ILE 117 H ILE 117 10.549 -8.916 -0.125 904 HA ILE 117 HA ILE 117 11.647 -6.871 1.691 905 HB ILE 117 HB ILE 117 8.712 -7.276 0.911 906 HG12 ILE 117 2HG1 ILE 117 10.665 -5.331 -0.397 907 HG13 ILE 117 3HG1 ILE 117 10.058 -6.804 -1.141 908 HG21 ILE 117 1HG2 ILE 117 9.095 -5.970 2.970 909 HG22 ILE 117 2HG2 ILE 117 8.429 -4.956 1.691 910 HG23 ILE 117 3HG2 ILE 117 10.147 -4.862 2.080 911 HD11 ILE 117 3HD1 ILE 117 7.779 -5.905 -1.062 912 HD12 ILE 117 1HD1 ILE 117 8.879 -4.875 -1.977 913 HD13 ILE 117 2HD1 ILE 117 8.398 -4.412 -0.345 914 H LYS 118 H LYS 118 11.729 -7.415 3.827 915 HA LYS 118 HA LYS 118 9.887 -9.483 4.923 916 HB2 LYS 118 2HB LYS 118 12.592 -8.639 6.046 917 HB3 LYS 118 3HB LYS 118 11.578 -9.932 6.657 918 HG2 LYS 118 2HG LYS 118 12.814 -10.009 3.889 919 HG3 LYS 118 3HG LYS 118 13.674 -10.561 5.321 920 HD2 LYS 118 2HD LYS 118 12.804 -12.553 4.470 921 HD3 LYS 118 3HD LYS 118 11.613 -12.133 5.695 922 HE2 LYS 118 2HE LYS 118 10.073 -11.351 3.992 923 HE3 LYS 118 3HE LYS 118 11.299 -11.527 2.734 924 HZ1 LYS 118 3HZ LYS 118 9.736 -13.375 2.721 925 HZ2 LYS 118 1HZ LYS 118 10.128 -13.755 4.322 926 HZ3 LYS 118 2HZ LYS 118 11.288 -13.916 3.107 927 H ARG 119 H ARG 119 8.979 -9.051 6.994 928 HA ARG 119 HA ARG 119 8.421 -6.258 7.596 929 HB2 ARG 119 2HB ARG 119 7.032 -7.174 9.479 930 HB3 ARG 119 3HB ARG 119 6.614 -7.842 7.906 931 HG2 ARG 119 2HG ARG 119 7.866 -9.900 8.424 932 HG3 ARG 119 3HG ARG 119 8.302 -9.245 10.003 933 HD2 ARG 119 2HD ARG 119 6.416 -10.820 10.160 934 HD3 ARG 119 3HD ARG 119 5.930 -9.189 10.646 935 HE ARG 119 HE ARG 119 5.375 -9.429 7.923 936 HH11 ARG 119 1HH1 ARG 119 4.218 -10.888 10.912 937 HH12 ARG 119 2HH1 ARG 119 2.639 -11.206 10.272 938 HH21 ARG 119 1HH2 ARG 119 3.332 -9.863 7.113 939 HH22 ARG 119 2HH2 ARG 119 2.138 -10.625 8.114 940 H LYS 120 H LYS 120 10.372 -8.845 8.909 941 HA LYS 120 HA LYS 120 12.276 -7.201 10.110 942 HB2 LYS 120 2HB LYS 120 11.925 -7.843 12.530 943 HB3 LYS 120 3HB LYS 120 10.720 -6.731 11.893 944 HG2 LYS 120 2HG LYS 120 9.097 -8.560 11.669 945 HG3 LYS 120 3HG LYS 120 10.300 -9.723 12.243 946 HD2 LYS 120 2HD LYS 120 10.375 -8.593 14.434 947 HD3 LYS 120 3HD LYS 120 9.235 -7.370 13.862 948 HE2 LYS 120 2HE LYS 120 7.473 -9.041 13.659 949 HE3 LYS 120 3HE LYS 120 8.603 -10.336 14.060 950 HZ1 LYS 120 3HZ LYS 120 8.852 -9.392 16.267 951 HZ2 LYS 120 1HZ LYS 120 7.228 -9.727 15.941 952 HZ3 LYS 120 2HZ LYS 120 7.787 -8.136 15.887 953 H VAL 121 H VAL 121 14.070 -8.349 10.564 954 HA VAL 121 HA VAL 121 14.077 -11.215 9.883 955 HB VAL 121 HB VAL 121 15.519 -9.670 8.548 956 HG11 VAL 121 1HG1 VAL 121 17.590 -8.724 9.505 957 HG12 VAL 121 2HG1 VAL 121 17.089 -9.257 11.112 958 HG13 VAL 121 3HG1 VAL 121 16.142 -8.041 10.254 959 HG21 VAL 121 3HG2 VAL 121 17.052 -11.770 10.122 960 HG22 VAL 121 1HG2 VAL 121 17.556 -11.069 8.580 961 HG23 VAL 121 2HG2 VAL 121 16.089 -12.046 8.667 962 H THR 122 H THR 122 14.860 -8.923 12.449 963 HA THR 122 HA THR 122 15.494 -11.090 14.342 964 HB THR 122 HB THR 122 16.821 -8.944 14.443 965 HG1 THR 122 HG1 THR 122 15.330 -9.278 16.834 966 HG21 THR 122 3HG2 THR 122 15.848 -6.951 15.491 967 HG22 THR 122 1HG2 THR 122 14.254 -7.706 15.506 968 HG23 THR 122 2HG2 THR 122 15.026 -7.300 13.972 969 H SER 123 H SER 123 14.196 -11.240 16.325 970 HA SER 123 HA SER 123 12.250 -11.657 17.417 971 HB2 SER 123 2HB SER 123 12.156 -9.167 17.621 972 HB3 SER 123 3HB SER 123 11.282 -9.073 16.094 973 HG SER 123 HG SER 123 10.389 -10.257 18.529 974 H VAL 124 H VAL 124 12.693 -12.711 14.682 975 HA VAL 124 HA VAL 124 10.176 -12.761 13.281 976 HB VAL 124 HB VAL 124 12.199 -12.868 11.962 977 HG11 VAL 124 1HG1 VAL 124 13.783 -14.754 11.981 978 HG12 VAL 124 2HG1 VAL 124 12.921 -15.467 13.347 979 HG13 VAL 124 3HG1 VAL 124 13.739 -13.915 13.536 980 HG21 VAL 124 3HG2 VAL 124 11.744 -14.821 10.508 981 HG22 VAL 124 1HG2 VAL 124 10.249 -14.026 11.006 982 HG23 VAL 124 2HG2 VAL 124 10.742 -15.539 11.772 983 H SER 125 H SER 125 8.530 -13.753 14.233 984 HA SER 125 HA SER 125 8.693 -16.035 15.936 985 HB2 SER 125 2HB SER 125 6.149 -15.981 15.747 986 HB3 SER 125 3HB SER 125 6.892 -14.484 16.300 987 HG SER 125 HG SER 125 6.008 -15.038 13.652 Start of MODEL 15 1 H1 MET 1 1H MET 1 -7.088 -27.482 -1.370 2 H2 MET 1 2H MET 1 -7.495 -25.909 -0.918 3 H3 MET 1 3H MET 1 -8.713 -27.025 -1.271 4 HA MET 1 HA MET 1 -8.491 -26.659 1.089 5 HB2 MET 1 2HB MET 1 -8.448 -29.001 1.772 6 HB3 MET 1 3HB MET 1 -9.267 -28.866 0.226 7 HG2 MET 1 2HG MET 1 -7.303 -29.738 -0.934 8 HG3 MET 1 3HG MET 1 -6.398 -29.783 0.584 9 HE1 MET 1 3HE MET 1 -7.003 -33.614 -0.137 10 HE2 MET 1 1HE MET 1 -5.790 -32.392 0.242 11 HE3 MET 1 2HE MET 1 -6.630 -32.353 -1.311 12 H GLY 2 H GLY 2 -7.187 -27.632 3.020 13 HA2 GLY 2 2HA GLY 2 -5.152 -27.990 4.122 14 HA3 GLY 2 3HA GLY 2 -4.276 -27.539 2.665 15 H HIS 3 H HIS 3 -6.873 -25.505 3.892 16 HA HIS 3 HA HIS 3 -5.066 -23.347 4.523 17 HB2 HIS 3 2HB HIS 3 -7.421 -22.980 3.645 18 HB3 HIS 3 3HB HIS 3 -8.047 -23.532 5.190 19 HD1 HIS 3 HD1 HIS 3 -7.451 -20.499 3.483 20 HD2 HIS 3 HD2 HIS 3 -6.790 -21.727 7.400 21 HE1 HIS 3 HE1 HIS 3 -7.252 -18.396 4.836 22 HE2 HIS 3 HE2 HIS 3 -6.721 -19.168 7.160 23 H HIS 4 H HIS 4 -3.760 -24.498 5.978 24 HA HIS 4 HA HIS 4 -4.479 -24.289 8.805 25 HB2 HIS 4 2HB HIS 4 -3.409 -26.871 7.541 26 HB3 HIS 4 3HB HIS 4 -3.468 -26.568 9.275 27 HD1 HIS 4 HD1 HIS 4 -5.413 -27.999 6.560 28 HD2 HIS 4 HD2 HIS 4 -6.270 -26.250 10.234 29 HE1 HIS 4 HE1 HIS 4 -7.794 -28.635 7.076 30 HE2 HIS 4 HE2 HIS 4 -8.216 -27.695 9.368 31 H HIS 5 H HIS 5 -2.396 -24.403 10.136 32 HA HIS 5 HA HIS 5 -0.495 -22.725 8.783 33 HB2 HIS 5 2HB HIS 5 0.576 -22.370 10.921 34 HB3 HIS 5 3HB HIS 5 -1.160 -22.241 11.110 35 HD1 HIS 5 HD1 HIS 5 1.372 -23.135 13.136 36 HD2 HIS 5 HD2 HIS 5 -1.945 -25.291 11.884 37 HE1 HIS 5 HE1 HIS 5 1.043 -24.928 14.851 38 HE2 HIS 5 HE2 HIS 5 -1.068 -26.085 14.167 39 H HIS 6 H HIS 6 0.266 -24.094 7.181 40 HA HIS 6 HA HIS 6 2.598 -25.736 7.989 41 HB2 HIS 6 2HB HIS 6 0.742 -26.268 5.613 42 HB3 HIS 6 3HB HIS 6 2.261 -27.102 5.897 43 HD1 HIS 6 HD1 HIS 6 2.292 -28.935 7.703 44 HD2 HIS 6 HD2 HIS 6 -1.421 -27.152 7.178 45 HE1 HIS 6 HE1 HIS 6 0.653 -30.469 8.804 46 HE2 HIS 6 HE2 HIS 6 -1.596 -29.503 8.240 47 H HIS 7 H HIS 7 2.060 -22.804 7.148 48 HA HIS 7 HA HIS 7 3.345 -22.513 4.590 49 HB2 HIS 7 2HB HIS 7 1.740 -20.792 5.433 50 HB3 HIS 7 3HB HIS 7 2.873 -20.365 6.712 51 HD1 HIS 7 HD1 HIS 7 2.344 -20.037 3.000 52 HD2 HIS 7 HD2 HIS 7 5.023 -18.713 5.882 53 HE1 HIS 7 HE1 HIS 7 3.781 -18.337 1.854 54 HE2 HIS 7 HE2 HIS 7 5.229 -17.403 3.676 55 H HIS 8 H HIS 8 5.125 -23.826 4.951 56 HA HIS 8 HA HIS 8 7.485 -22.421 6.008 57 HB2 HIS 8 2HB HIS 8 7.018 -25.438 6.291 58 HB3 HIS 8 3HB HIS 8 8.437 -24.546 6.830 59 HD1 HIS 8 HD1 HIS 8 5.208 -25.765 7.962 60 HD2 HIS 8 HD2 HIS 8 7.821 -22.740 9.089 61 HE1 HIS 8 HE1 HIS 8 4.479 -25.072 10.261 62 HE2 HIS 8 HE2 HIS 8 6.000 -23.167 10.867 63 H SER 9 H SER 9 7.790 -21.744 3.913 64 HA SER 9 HA SER 9 7.299 -23.247 1.597 65 HB2 SER 9 2HB SER 9 9.032 -20.765 1.932 66 HB3 SER 9 3HB SER 9 8.333 -21.349 0.419 67 HG SER 9 HG SER 9 6.817 -19.984 1.020 68 H HIS 10 H HIS 10 8.361 -25.167 1.442 69 HA HIS 10 HA HIS 10 11.340 -25.242 1.454 70 HB2 HIS 10 2HB HIS 10 9.377 -27.524 1.992 71 HB3 HIS 10 3HB HIS 10 11.132 -27.670 1.993 72 HD1 HIS 10 HD1 HIS 10 9.302 -28.376 4.442 73 HD2 HIS 10 HD2 HIS 10 11.353 -24.789 3.967 74 HE1 HIS 10 HE1 HIS 10 9.597 -27.453 6.755 75 HE2 HIS 10 HE2 HIS 10 10.850 -25.299 6.445 76 H MET 11 H MET 11 8.420 -26.561 -0.077 77 HA MET 11 HA MET 11 9.919 -27.418 -2.487 78 HB2 MET 11 2HB MET 11 7.101 -28.139 -1.564 79 HB3 MET 11 3HB MET 11 7.935 -28.823 -2.952 80 HG2 MET 11 2HG MET 11 9.535 -29.924 -1.495 81 HG3 MET 11 3HG MET 11 8.824 -29.149 -0.080 82 HE1 MET 11 3HE MET 11 5.280 -30.843 0.064 83 HE2 MET 11 1HE MET 11 5.672 -29.343 -0.772 84 HE3 MET 11 2HE MET 11 6.363 -29.674 0.817 85 H ALA 12 H ALA 12 9.109 -26.817 -4.555 86 HA ALA 12 HA ALA 12 8.442 -24.132 -4.878 87 HB1 ALA 12 3HB ALA 12 8.223 -24.641 -7.281 88 HB2 ALA 12 1HB ALA 12 8.156 -26.371 -6.922 89 HB3 ALA 12 2HB ALA 12 9.624 -25.451 -6.585 90 H GLY 13 H GLY 13 6.582 -23.016 -5.010 91 HA2 GLY 13 2HA GLY 13 4.101 -23.334 -5.821 92 HA3 GLY 13 3HA GLY 13 4.049 -24.397 -4.419 93 HA PRO 14 HA PRO 14 3.290 -20.804 -1.842 94 HB2 PRO 14 2HB PRO 14 4.408 -21.527 0.565 95 HB3 PRO 14 3HB PRO 14 2.927 -22.283 -0.059 96 HG2 PRO 14 2HG PRO 14 5.747 -23.314 -0.153 97 HG3 PRO 14 3HG PRO 14 4.244 -24.183 0.242 98 HD2 PRO 14 2HD PRO 14 5.405 -24.330 -2.225 99 HD3 PRO 14 3HD PRO 14 3.649 -24.454 -1.991 100 H SER 15 H SER 15 4.385 -18.994 -2.442 101 HA SER 15 HA SER 15 7.228 -18.653 -2.364 102 HB2 SER 15 2HB SER 15 5.743 -17.373 -3.910 103 HB3 SER 15 3HB SER 15 4.997 -16.572 -2.528 104 HG SER 15 HG SER 15 7.733 -16.389 -3.311 105 H ASN 16 H ASN 16 8.350 -17.102 -0.953 106 HA ASN 16 HA ASN 16 7.570 -17.345 1.842 107 HB2 ASN 16 2HB ASN 16 10.007 -15.969 0.622 108 HB3 ASN 16 3HB ASN 16 9.775 -16.322 2.331 109 HD21 ASN 16 1HD2 ASN 16 10.521 -17.662 -0.806 110 HD22 ASN 16 2HD2 ASN 16 11.068 -19.202 -0.238 111 H VAL 17 H VAL 17 6.740 -15.238 -0.562 112 HA VAL 17 HA VAL 17 6.774 -12.668 0.510 113 HB VAL 17 HB VAL 17 4.765 -13.994 -1.372 114 HG11 VAL 17 1HG1 VAL 17 4.047 -11.694 -2.028 115 HG12 VAL 17 2HG1 VAL 17 5.032 -11.029 -0.723 116 HG13 VAL 17 3HG1 VAL 17 3.650 -12.058 -0.344 117 HG21 VAL 17 3HG2 VAL 17 5.998 -12.798 -3.147 118 HG22 VAL 17 1HG2 VAL 17 7.080 -13.854 -2.235 119 HG23 VAL 17 2HG2 VAL 17 7.090 -12.114 -1.941 120 HA PRO 18 HA PRO 18 3.940 -13.111 4.134 121 HB2 PRO 18 2HB PRO 18 4.085 -10.104 3.728 122 HB3 PRO 18 3HB PRO 18 4.198 -11.044 5.236 123 HG2 PRO 18 2HG PRO 18 6.405 -10.078 4.179 124 HG3 PRO 18 3HG PRO 18 6.393 -11.749 4.797 125 HD2 PRO 18 2HD PRO 18 6.243 -10.800 1.936 126 HD3 PRO 18 3HD PRO 18 7.145 -12.172 2.627 127 H ALA 19 H ALA 19 1.747 -13.124 4.295 128 HA ALA 19 HA ALA 19 -0.009 -12.935 2.195 129 HB1 ALA 19 3HB ALA 19 -0.642 -12.566 5.143 130 HB2 ALA 19 1HB ALA 19 -0.484 -14.112 4.307 131 HB3 ALA 19 2HB ALA 19 -1.797 -13.012 3.883 132 H PHE 20 H PHE 20 0.731 -10.424 4.639 133 HA PHE 20 HA PHE 20 -0.935 -8.385 3.830 134 HB2 PHE 20 2HB PHE 20 0.478 -8.214 5.848 135 HB3 PHE 20 3HB PHE 20 1.935 -8.149 4.860 136 HD1 PHE 20 HD2 PHE 20 -1.100 -6.269 5.891 137 HD2 PHE 20 HD1 PHE 20 2.608 -6.072 3.771 138 HE1 PHE 20 HE2 PHE 20 -1.313 -3.820 5.720 139 HE2 PHE 20 HE1 PHE 20 2.385 -3.642 3.601 140 HZ PHE 20 HZ PHE 20 0.429 -2.508 4.569 141 H LEU 21 H LEU 21 2.264 -9.260 2.426 142 HA LEU 21 HA LEU 21 2.374 -6.862 0.824 143 HB2 LEU 21 2HB LEU 21 4.182 -9.302 0.937 144 HB3 LEU 21 3HB LEU 21 4.474 -7.936 -0.130 145 HG LEU 21 HG LEU 21 4.451 -7.815 2.920 146 HD11 LEU 21 1HD1 LEU 21 6.859 -7.413 2.727 147 HD12 LEU 21 2HD1 LEU 21 6.769 -7.597 0.973 148 HD13 LEU 21 3HD1 LEU 21 6.422 -8.969 2.027 149 HD21 LEU 21 3HD2 LEU 21 3.640 -5.698 1.976 150 HD22 LEU 21 1HD2 LEU 21 5.048 -5.607 0.910 151 HD23 LEU 21 2HD2 LEU 21 5.249 -5.490 2.661 152 H THR 22 H THR 22 1.576 -10.291 0.206 153 HA THR 22 HA THR 22 1.361 -10.009 -2.612 154 HB THR 22 HB THR 22 1.572 -12.237 -1.535 155 HG1 THR 22 HG1 THR 22 0.587 -11.906 -3.677 156 HG21 THR 22 3HG2 THR 22 0.041 -11.973 0.376 157 HG22 THR 22 1HG2 THR 22 -0.390 -13.386 -0.593 158 HG23 THR 22 2HG2 THR 22 -1.334 -11.899 -0.727 159 H LYS 23 H LYS 23 -1.027 -9.596 0.028 160 HA LYS 23 HA LYS 23 -3.269 -9.029 -1.640 161 HB2 LYS 23 2HB LYS 23 -2.667 -8.245 1.236 162 HB3 LYS 23 3HB LYS 23 -4.205 -7.908 0.457 163 HG2 LYS 23 2HG LYS 23 -3.161 -10.742 0.634 164 HG3 LYS 23 3HG LYS 23 -3.974 -9.994 2.002 165 HD2 LYS 23 2HD LYS 23 -5.661 -11.223 0.879 166 HD3 LYS 23 3HD LYS 23 -5.949 -9.547 0.426 167 HE2 LYS 23 2HE LYS 23 -6.230 -11.038 -1.497 168 HE3 LYS 23 3HE LYS 23 -4.853 -9.966 -1.752 169 HZ1 LYS 23 3HZ LYS 23 -3.370 -11.744 -1.170 170 HZ2 LYS 23 1HZ LYS 23 -4.414 -12.281 -2.381 171 HZ3 LYS 23 2HZ LYS 23 -4.653 -12.766 -0.782 172 H LEU 24 H LEU 24 -0.823 -6.965 -0.095 173 HA LEU 24 HA LEU 24 -1.740 -4.446 -0.784 174 HB2 LEU 24 2HB LEU 24 0.093 -4.824 0.811 175 HB3 LEU 24 3HB LEU 24 1.125 -5.420 -0.481 176 HG LEU 24 HG LEU 24 1.064 -3.129 -1.537 177 HD11 LEU 24 1HD1 LEU 24 -0.392 -2.297 0.992 178 HD12 LEU 24 2HD1 LEU 24 -1.057 -2.313 -0.646 179 HD13 LEU 24 3HD1 LEU 24 0.253 -1.208 -0.240 180 HD21 LEU 24 3HD2 LEU 24 2.598 -2.066 0.049 181 HD22 LEU 24 1HD2 LEU 24 2.948 -3.786 -0.121 182 HD23 LEU 24 2HD2 LEU 24 2.100 -3.195 1.312 183 H TRP 25 H TRP 25 0.630 -6.463 -2.564 184 HA TRP 25 HA TRP 25 1.157 -4.779 -4.705 185 HB2 TRP 25 2HB TRP 25 2.420 -6.861 -4.114 186 HB3 TRP 25 3HB TRP 25 1.089 -7.836 -4.726 187 HD1 TRP 25 HD1 TRP 25 4.043 -5.696 -5.908 188 HE1 TRP 25 HE1 TRP 25 4.417 -6.114 -8.407 189 HE3 TRP 25 HE3 TRP 25 -0.145 -8.471 -6.948 190 HZ2 TRP 25 HZ2 TRP 25 3.142 -7.436 -10.540 191 HZ3 TRP 25 HZ3 TRP 25 -0.487 -9.274 -9.251 192 HH2 TRP 25 HH2 TRP 25 1.129 -8.761 -11.011 193 H THR 26 H THR 26 -1.261 -7.368 -4.464 194 HA THR 26 HA THR 26 -2.483 -7.151 -6.972 195 HB THR 26 HB THR 26 -3.740 -8.054 -4.339 196 HG1 THR 26 HG1 THR 26 -1.683 -9.080 -5.104 197 HG21 THR 26 3HG2 THR 26 -5.422 -7.791 -6.156 198 HG22 THR 26 1HG2 THR 26 -5.185 -9.490 -5.729 199 HG23 THR 26 2HG2 THR 26 -4.452 -8.835 -7.195 200 H LEU 27 H LEU 27 -3.095 -5.427 -3.934 201 HA LEU 27 HA LEU 27 -5.487 -4.085 -4.646 202 HB2 LEU 27 2HB LEU 27 -4.877 -4.433 -2.329 203 HB3 LEU 27 3HB LEU 27 -3.361 -3.577 -2.531 204 HG LEU 27 HG LEU 27 -4.578 -1.434 -2.773 205 HD11 LEU 27 1HD1 LEU 27 -6.633 -2.274 -3.821 206 HD12 LEU 27 2HD1 LEU 27 -6.977 -1.268 -2.421 207 HD13 LEU 27 3HD1 LEU 27 -7.111 -3.022 -2.295 208 HD21 LEU 27 3HD2 LEU 27 -3.871 -2.163 -0.527 209 HD22 LEU 27 1HD2 LEU 27 -5.426 -2.971 -0.292 210 HD23 LEU 27 2HD2 LEU 27 -5.354 -1.212 -0.458 211 H VAL 28 H VAL 28 -2.089 -3.073 -4.657 212 HA VAL 28 HA VAL 28 -2.374 -0.451 -5.633 213 HB VAL 28 HB VAL 28 -0.059 -2.442 -5.779 214 HG11 VAL 28 1HG1 VAL 28 1.439 -0.519 -6.200 215 HG12 VAL 28 2HG1 VAL 28 0.034 0.540 -6.356 216 HG13 VAL 28 3HG1 VAL 28 0.296 -0.757 -7.525 217 HG21 VAL 28 3HG2 VAL 28 -0.755 -1.834 -3.493 218 HG22 VAL 28 1HG2 VAL 28 -0.585 -0.119 -3.881 219 HG23 VAL 28 2HG2 VAL 28 0.838 -1.165 -3.856 220 H SER 29 H SER 29 -1.912 -3.551 -7.270 221 HA SER 29 HA SER 29 -1.857 -2.457 -9.947 222 HB2 SER 29 2HB SER 29 -0.524 -4.468 -9.337 223 HB3 SER 29 3HB SER 29 -2.010 -5.353 -8.996 224 HG SER 29 HG SER 29 -2.382 -5.566 -11.077 225 H ASP 30 H ASP 30 -4.365 -2.828 -7.823 226 HA ASP 30 HA ASP 30 -6.371 -3.945 -9.607 227 HB2 ASP 30 2HB ASP 30 -6.458 -4.462 -7.187 228 HB3 ASP 30 3HB ASP 30 -6.622 -2.755 -6.805 229 HA PRO 31 HA PRO 31 -7.317 0.213 -11.166 230 HB2 PRO 31 2HB PRO 31 -9.019 -0.461 -13.148 231 HB3 PRO 31 3HB PRO 31 -7.310 -0.946 -13.222 232 HG2 PRO 31 2HG PRO 31 -9.685 -2.583 -12.366 233 HG3 PRO 31 3HG PRO 31 -8.362 -3.026 -13.470 234 HD2 PRO 31 2HD PRO 31 -8.405 -3.741 -10.804 235 HD3 PRO 31 3HD PRO 31 -6.906 -3.535 -11.739 236 H ASP 32 H ASP 32 -9.578 -1.821 -9.500 237 HA ASP 32 HA ASP 32 -11.896 -0.079 -9.774 238 HB2 ASP 32 2HB ASP 32 -12.249 -2.484 -9.563 239 HB3 ASP 32 3HB ASP 32 -11.351 -2.536 -8.056 240 H THR 33 H THR 33 -9.240 -0.452 -7.531 241 HA THR 33 HA THR 33 -10.547 1.273 -5.500 242 HB THR 33 HB THR 33 -8.667 0.560 -3.983 243 HG1 THR 33 HG1 THR 33 -8.068 -1.442 -5.903 244 HG21 THR 33 3HG2 THR 33 -10.824 -0.655 -3.872 245 HG22 THR 33 1HG2 THR 33 -9.465 -1.738 -3.557 246 HG23 THR 33 2HG2 THR 33 -10.266 -1.762 -5.130 247 H ASP 34 H ASP 34 -8.930 1.778 -8.179 248 HA ASP 34 HA ASP 34 -6.514 3.076 -7.669 249 HB2 ASP 34 2HB ASP 34 -6.594 3.831 -9.943 250 HB3 ASP 34 3HB ASP 34 -7.415 2.277 -9.913 251 H ALA 35 H ALA 35 -9.749 4.240 -7.275 252 HA ALA 35 HA ALA 35 -9.424 7.011 -7.373 253 HB1 ALA 35 3HB ALA 35 -11.330 5.418 -5.629 254 HB2 ALA 35 1HB ALA 35 -11.606 5.876 -7.310 255 HB3 ALA 35 2HB ALA 35 -11.499 7.123 -6.064 256 H LEU 36 H LEU 36 -8.758 4.733 -4.706 257 HA LEU 36 HA LEU 36 -7.723 6.968 -3.051 258 HB2 LEU 36 2HB LEU 36 -8.953 4.364 -2.054 259 HB3 LEU 36 3HB LEU 36 -8.233 5.602 -1.039 260 HG LEU 36 HG LEU 36 -10.811 5.826 -2.641 261 HD11 LEU 36 1HD1 LEU 36 -11.876 6.131 -0.466 262 HD12 LEU 36 2HD1 LEU 36 -10.316 6.005 0.349 263 HD13 LEU 36 3HD1 LEU 36 -10.985 4.607 -0.501 264 HD21 LEU 36 3HD2 LEU 36 -11.043 8.123 -1.757 265 HD22 LEU 36 1HD2 LEU 36 -9.641 7.972 -2.817 266 HD23 LEU 36 2HD2 LEU 36 -9.420 8.025 -1.068 267 H ILE 37 H ILE 37 -6.847 4.078 -4.716 268 HA ILE 37 HA ILE 37 -4.120 4.465 -3.845 269 HB ILE 37 HB ILE 37 -4.853 2.986 -2.056 270 HG12 ILE 37 2HG1 ILE 37 -3.083 1.421 -3.998 271 HG13 ILE 37 3HG1 ILE 37 -2.521 2.724 -2.960 272 HG21 ILE 37 1HG2 ILE 37 -6.770 1.900 -3.152 273 HG22 ILE 37 2HG2 ILE 37 -5.698 0.710 -2.411 274 HG23 ILE 37 3HG2 ILE 37 -5.671 0.955 -4.160 275 HD11 ILE 37 3HD1 ILE 37 -1.924 0.583 -2.036 276 HD12 ILE 37 1HD1 ILE 37 -3.607 0.060 -2.047 277 HD13 ILE 37 2HD1 ILE 37 -3.097 1.373 -0.984 278 H CYS 38 H CYS 38 -2.902 4.355 -5.559 279 HA CYS 38 HA CYS 38 -3.099 2.180 -7.485 280 HB2 CYS 38 2HB CYS 38 -4.604 3.886 -8.469 281 HB3 CYS 38 3HB CYS 38 -3.330 5.097 -8.359 282 HG CYS 38 HG CYS 38 -3.560 4.406 -11.022 283 H TRP 39 H TRP 39 -1.213 2.089 -8.867 284 HA TRP 39 HA TRP 39 1.248 2.744 -7.547 285 HB2 TRP 39 2HB TRP 39 2.247 1.815 -9.821 286 HB3 TRP 39 3HB TRP 39 1.439 0.716 -8.716 287 HD1 TRP 39 HD1 TRP 39 -0.752 -0.491 -9.568 288 HE1 TRP 39 HE1 TRP 39 -1.938 -0.648 -11.838 289 HE3 TRP 39 HE3 TRP 39 1.719 3.222 -12.050 290 HZ2 TRP 39 HZ2 TRP 39 -1.841 0.601 -14.347 291 HZ3 TRP 39 HZ3 TRP 39 1.123 3.679 -14.386 292 HH2 TRP 39 HH2 TRP 39 -0.625 2.394 -15.516 293 H SER 40 H SER 40 2.912 4.088 -8.289 294 HA SER 40 HA SER 40 2.272 6.504 -9.694 295 HB2 SER 40 2HB SER 40 4.960 5.312 -8.833 296 HB3 SER 40 3HB SER 40 4.692 6.985 -9.329 297 HG SER 40 HG SER 40 4.620 6.202 -6.923 298 HA PRO 41 HA PRO 41 2.770 5.579 -14.036 299 HB2 PRO 41 2HB PRO 41 5.185 7.423 -14.010 300 HB3 PRO 41 3HB PRO 41 3.850 7.335 -15.186 301 HG2 PRO 41 2HG PRO 41 3.813 9.232 -13.347 302 HG3 PRO 41 3HG PRO 41 2.315 8.355 -13.740 303 HD2 PRO 41 2HD PRO 41 4.060 8.099 -11.313 304 HD3 PRO 41 3HD PRO 41 2.299 7.909 -11.467 305 H SER 42 H SER 42 5.851 5.419 -12.240 306 HA SER 42 HA SER 42 7.158 3.625 -14.077 307 HB2 SER 42 2HB SER 42 8.854 3.406 -12.256 308 HB3 SER 42 3HB SER 42 8.462 5.097 -12.587 309 HG SER 42 HG SER 42 8.070 5.182 -10.525 310 H GLY 43 H GLY 43 5.585 3.248 -10.893 311 HA2 GLY 43 2HA GLY 43 4.172 1.409 -10.318 312 HA3 GLY 43 3HA GLY 43 5.092 0.367 -11.390 313 H ASN 44 H ASN 44 6.952 2.476 -9.367 314 HA ASN 44 HA ASN 44 7.990 0.127 -7.894 315 HB2 ASN 44 2HB ASN 44 9.996 1.402 -7.497 316 HB3 ASN 44 3HB ASN 44 9.583 1.605 -9.192 317 HD21 ASN 44 1HD2 ASN 44 11.245 3.282 -7.495 318 HD22 ASN 44 2HD2 ASN 44 10.550 4.863 -7.542 319 H SER 45 H SER 45 5.856 2.656 -7.433 320 HA SER 45 HA SER 45 5.818 2.408 -4.536 321 HB2 SER 45 2HB SER 45 5.743 4.970 -4.328 322 HB3 SER 45 3HB SER 45 7.323 4.298 -4.730 323 HG SER 45 HG SER 45 7.041 4.929 -6.845 324 H PHE 46 H PHE 46 3.826 3.699 -3.686 325 HA PHE 46 HA PHE 46 1.667 3.980 -5.670 326 HB2 PHE 46 2HB PHE 46 0.126 2.535 -4.389 327 HB3 PHE 46 3HB PHE 46 1.506 1.630 -4.986 328 HD1 PHE 46 HD2 PHE 46 3.327 0.926 -3.379 329 HD2 PHE 46 HD1 PHE 46 -0.341 2.657 -2.010 330 HE1 PHE 46 HE2 PHE 46 3.743 0.036 -1.126 331 HE2 PHE 46 HE1 PHE 46 0.085 1.760 0.238 332 HZ PHE 46 HZ PHE 46 2.122 0.451 0.682 333 H HIS 47 H HIS 47 -0.219 5.050 -4.818 334 HA HIS 47 HA HIS 47 0.415 6.965 -2.644 335 HB2 HIS 47 2HB HIS 47 -1.309 7.313 -5.144 336 HB3 HIS 47 3HB HIS 47 -1.102 8.534 -3.891 337 HD1 HIS 47 HD1 HIS 47 0.797 10.104 -4.194 338 HD2 HIS 47 HD2 HIS 47 1.193 6.748 -6.595 339 HE1 HIS 47 HE1 HIS 47 2.761 10.565 -5.664 340 HE2 HIS 47 HE2 HIS 47 3.130 8.421 -6.916 341 H VAL 48 H VAL 48 -1.290 7.504 -1.213 342 HA VAL 48 HA VAL 48 -3.775 5.897 -1.335 343 HB VAL 48 HB VAL 48 -2.134 6.551 1.173 344 HG11 VAL 48 1HG1 VAL 48 -4.818 5.130 1.002 345 HG12 VAL 48 2HG1 VAL 48 -4.533 6.733 1.684 346 HG13 VAL 48 3HG1 VAL 48 -3.841 5.309 2.462 347 HG21 VAL 48 3HG2 VAL 48 -2.776 3.853 -0.087 348 HG22 VAL 48 1HG2 VAL 48 -1.896 4.095 1.427 349 HG23 VAL 48 2HG2 VAL 48 -1.203 4.656 -0.099 350 H PHE 49 H PHE 49 -5.625 7.049 -0.937 351 HA PHE 49 HA PHE 49 -5.438 9.888 -0.093 352 HB2 PHE 49 2HB PHE 49 -7.249 8.714 -2.258 353 HB3 PHE 49 3HB PHE 49 -7.441 10.327 -1.583 354 HD1 PHE 49 HD2 PHE 49 -5.725 12.091 -2.015 355 HD2 PHE 49 HD1 PHE 49 -5.538 8.265 -3.935 356 HE1 PHE 49 HE2 PHE 49 -4.180 13.005 -3.698 357 HE2 PHE 49 HE1 PHE 49 -3.987 9.193 -5.610 358 HZ PHE 49 HZ PHE 49 -3.317 11.560 -5.495 359 H ASP 50 H ASP 50 -7.056 10.602 1.209 360 HA ASP 50 HA ASP 50 -8.300 10.532 3.066 361 HB2 ASP 50 2HB ASP 50 -9.987 10.361 1.038 362 HB3 ASP 50 3HB ASP 50 -10.290 8.739 1.643 363 H GLN 51 H GLN 51 -6.705 9.245 4.187 364 HA GLN 51 HA GLN 51 -6.538 6.531 4.485 365 HB2 GLN 51 2HB GLN 51 -6.027 8.721 6.537 366 HB3 GLN 51 3HB GLN 51 -5.614 7.031 6.817 367 HG2 GLN 51 2HG GLN 51 -4.157 7.115 4.760 368 HG3 GLN 51 3HG GLN 51 -4.456 8.847 4.680 369 HE21 GLN 51 1HE2 GLN 51 -2.801 6.304 6.380 370 HE22 GLN 51 2HE2 GLN 51 -1.796 7.325 7.350 371 H GLY 52 H GLY 52 -8.985 8.627 5.896 372 HA2 GLY 52 2HA GLY 52 -10.037 6.835 7.858 373 HA3 GLY 52 3HA GLY 52 -10.847 8.231 7.171 374 H GLN 53 H GLN 53 -11.061 7.597 4.502 375 HA GLN 53 HA GLN 53 -13.312 5.790 4.551 376 HB2 GLN 53 2HB GLN 53 -13.249 7.910 3.197 377 HB3 GLN 53 3HB GLN 53 -12.013 7.193 2.171 378 HG2 GLN 53 2HG GLN 53 -14.198 7.080 1.088 379 HG3 GLN 53 3HG GLN 53 -13.615 5.453 1.449 380 HE21 GLN 53 1HE2 GLN 53 -15.641 4.514 1.501 381 HE22 GLN 53 2HE2 GLN 53 -16.821 4.840 2.688 382 H PHE 54 H PHE 54 -10.091 5.818 3.115 383 HA PHE 54 HA PHE 54 -10.005 3.422 1.724 384 HB2 PHE 54 2HB PHE 54 -8.273 5.131 1.513 385 HB3 PHE 54 3HB PHE 54 -7.861 5.009 3.214 386 HD1 PHE 54 HD2 PHE 54 -7.501 3.397 -0.105 387 HD2 PHE 54 HD1 PHE 54 -6.368 3.256 4.016 388 HE1 PHE 54 HE2 PHE 54 -5.698 1.809 -0.628 389 HE2 PHE 54 HE1 PHE 54 -4.568 1.680 3.467 390 HZ PHE 54 HZ PHE 54 -4.231 0.954 1.143 391 H ALA 55 H ALA 55 -9.115 4.063 5.135 392 HA ALA 55 HA ALA 55 -8.513 1.381 5.781 393 HB1 ALA 55 3HB ALA 55 -8.560 2.101 8.120 394 HB2 ALA 55 1HB ALA 55 -9.396 3.591 7.666 395 HB3 ALA 55 2HB ALA 55 -7.743 3.301 7.124 396 H LYS 56 H LYS 56 -11.542 3.068 5.609 397 HA LYS 56 HA LYS 56 -13.085 1.337 7.277 398 HB2 LYS 56 2HB LYS 56 -13.877 3.534 7.139 399 HB3 LYS 56 3HB LYS 56 -13.708 3.622 5.395 400 HG2 LYS 56 2HG LYS 56 -15.754 1.706 6.472 401 HG3 LYS 56 3HG LYS 56 -16.105 3.428 6.634 402 HD2 LYS 56 2HD LYS 56 -15.983 3.748 4.228 403 HD3 LYS 56 3HD LYS 56 -15.374 2.111 3.985 404 HE2 LYS 56 2HE LYS 56 -18.140 2.807 5.029 405 HE3 LYS 56 3HE LYS 56 -17.768 2.345 3.372 406 HZ1 LYS 56 3HZ LYS 56 -17.347 0.627 5.760 407 HZ2 LYS 56 1HZ LYS 56 -17.048 0.182 4.155 408 HZ3 LYS 56 2HZ LYS 56 -18.628 0.491 4.670 409 H GLU 57 H GLU 57 -12.678 1.571 3.707 410 HA GLU 57 HA GLU 57 -14.376 -0.858 3.415 411 HB2 GLU 57 2HB GLU 57 -14.739 -0.118 1.041 412 HB3 GLU 57 3HB GLU 57 -15.390 0.975 2.256 413 HG2 GLU 57 2HG GLU 57 -13.644 2.570 1.899 414 HG3 GLU 57 3HG GLU 57 -12.721 1.447 0.923 415 H VAL 58 H VAL 58 -11.236 0.474 2.433 416 HA VAL 58 HA VAL 58 -10.790 -1.557 0.399 417 HB VAL 58 HB VAL 58 -8.954 0.635 1.483 418 HG11 VAL 58 1HG1 VAL 58 -7.653 0.315 -0.611 419 HG12 VAL 58 2HG1 VAL 58 -8.657 -1.081 -1.014 420 HG13 VAL 58 3HG1 VAL 58 -7.626 -1.119 0.418 421 HG21 VAL 58 3HG2 VAL 58 -10.702 0.613 -1.017 422 HG22 VAL 58 1HG2 VAL 58 -9.563 1.890 -0.571 423 HG23 VAL 58 2HG2 VAL 58 -10.975 1.575 0.438 424 H LEU 59 H LEU 59 -9.432 -0.750 3.618 425 HA LEU 59 HA LEU 59 -7.464 -2.771 3.661 426 HB2 LEU 59 2HB LEU 59 -8.762 -1.317 5.983 427 HB3 LEU 59 3HB LEU 59 -7.456 -2.474 6.188 428 HG LEU 59 HG LEU 59 -7.328 0.232 4.808 429 HD11 LEU 59 1HD1 LEU 59 -5.833 -0.893 7.195 430 HD12 LEU 59 2HD1 LEU 59 -7.146 0.287 7.243 431 HD13 LEU 59 3HD1 LEU 59 -5.610 0.713 6.492 432 HD21 LEU 59 3HD2 LEU 59 -5.175 -1.909 4.826 433 HD22 LEU 59 1HD2 LEU 59 -4.962 -0.238 4.294 434 HD23 LEU 59 2HD2 LEU 59 -6.050 -1.307 3.415 435 HA PRO 60 HA PRO 60 -10.583 -5.728 6.037 436 HB2 PRO 60 2HB PRO 60 -13.290 -5.278 5.764 437 HB3 PRO 60 3HB PRO 60 -12.335 -4.587 7.093 438 HG2 PRO 60 2HG PRO 60 -13.141 -3.291 4.501 439 HG3 PRO 60 3HG PRO 60 -13.265 -2.651 6.157 440 HD2 PRO 60 2HD PRO 60 -11.238 -1.919 4.552 441 HD3 PRO 60 3HD PRO 60 -10.970 -2.177 6.292 442 H LYS 61 H LYS 61 -11.039 -4.359 2.893 443 HA LYS 61 HA LYS 61 -12.400 -6.564 1.665 444 HB2 LYS 61 2HB LYS 61 -12.433 -4.243 0.751 445 HB3 LYS 61 3HB LYS 61 -10.714 -4.373 0.386 446 HG2 LYS 61 2HG LYS 61 -11.191 -6.217 -1.192 447 HG3 LYS 61 3HG LYS 61 -12.916 -6.074 -0.824 448 HD2 LYS 61 2HD LYS 61 -12.866 -3.724 -1.687 449 HD3 LYS 61 3HD LYS 61 -11.166 -3.942 -2.116 450 HE2 LYS 61 2HE LYS 61 -12.574 -4.239 -4.078 451 HE3 LYS 61 3HE LYS 61 -11.805 -5.770 -3.661 452 HZ1 LYS 61 3HZ LYS 61 -13.888 -6.432 -2.579 453 HZ2 LYS 61 1HZ LYS 61 -14.100 -6.106 -4.224 454 HZ3 LYS 61 2HZ LYS 61 -14.606 -4.983 -3.072 455 H TYR 62 H TYR 62 -9.018 -5.389 1.357 456 HA TYR 62 HA TYR 62 -8.157 -7.984 0.292 457 HB2 TYR 62 2HB TYR 62 -6.764 -5.304 0.635 458 HB3 TYR 62 3HB TYR 62 -5.839 -6.757 0.257 459 HD1 TYR 62 HD2 TYR 62 -8.772 -4.752 -0.967 460 HD2 TYR 62 HD1 TYR 62 -5.625 -7.456 -2.010 461 HE1 TYR 62 HE2 TYR 62 -9.362 -4.519 -3.334 462 HE2 TYR 62 HE1 TYR 62 -6.229 -7.234 -4.379 463 HH TYR 62 HH TYR 62 -8.194 -6.633 -5.713 464 H PHE 63 H PHE 63 -7.275 -5.941 3.075 465 HA PHE 63 HA PHE 63 -5.722 -8.125 4.273 466 HB2 PHE 63 2HB PHE 63 -6.200 -5.311 5.370 467 HB3 PHE 63 3HB PHE 63 -4.932 -6.442 5.847 468 HD1 PHE 63 HD2 PHE 63 -3.141 -7.072 4.109 469 HD2 PHE 63 HD1 PHE 63 -5.842 -3.804 3.557 470 HE1 PHE 63 HE2 PHE 63 -1.686 -6.140 2.362 471 HE2 PHE 63 HE1 PHE 63 -4.381 -2.893 1.807 472 HZ PHE 63 HZ PHE 63 -2.301 -4.060 1.209 473 H LYS 64 H LYS 64 -6.157 -7.992 6.959 474 HA LYS 64 HA LYS 64 -8.979 -8.899 7.168 475 HB2 LYS 64 2HB LYS 64 -6.482 -10.002 8.544 476 HB3 LYS 64 3HB LYS 64 -8.121 -10.624 8.727 477 HG2 LYS 64 2HG LYS 64 -8.168 -11.289 6.368 478 HG3 LYS 64 3HG LYS 64 -6.562 -10.598 6.120 479 HD2 LYS 64 2HD LYS 64 -5.620 -12.259 7.715 480 HD3 LYS 64 3HD LYS 64 -7.230 -12.960 7.925 481 HE2 LYS 64 2HE LYS 64 -7.284 -13.538 5.519 482 HE3 LYS 64 3HE LYS 64 -5.675 -12.839 5.314 483 HZ1 LYS 64 3HZ LYS 64 -6.295 -15.113 7.113 484 HZ2 LYS 64 1HZ LYS 64 -4.765 -14.497 6.751 485 HZ3 LYS 64 2HZ LYS 64 -5.673 -15.267 5.551 486 H HIS 65 H HIS 65 -8.302 -6.250 7.618 487 HA HIS 65 HA HIS 65 -9.143 -5.764 10.306 488 HB2 HIS 65 2HB HIS 65 -7.188 -4.454 11.058 489 HB3 HIS 65 3HB HIS 65 -6.697 -6.110 10.718 490 HD1 HIS 65 HD1 HIS 65 -6.172 -2.581 9.586 491 HD2 HIS 65 HD2 HIS 65 -4.954 -6.398 8.481 492 HE1 HIS 65 HE1 HIS 65 -4.230 -2.245 8.053 493 HE2 HIS 65 HE2 HIS 65 -3.379 -4.565 7.572 494 H ASN 66 H ASN 66 -9.401 -3.386 10.657 495 HA ASN 66 HA ASN 66 -9.728 -1.871 8.114 496 HB2 ASN 66 2HB ASN 66 -11.369 -1.434 10.652 497 HB3 ASN 66 3HB ASN 66 -11.531 -0.570 9.135 498 HD21 ASN 66 1HD2 ASN 66 -13.581 -1.094 8.579 499 HD22 ASN 66 2HD2 ASN 66 -14.129 -2.712 8.315 500 H ASN 67 H ASN 67 -7.971 -2.129 10.919 501 HA ASN 67 HA ASN 67 -7.649 0.567 11.745 502 HB2 ASN 67 2HB ASN 67 -5.996 -1.941 12.225 503 HB3 ASN 67 3HB ASN 67 -5.564 -0.384 12.920 504 HD21 ASN 67 1HD2 ASN 67 -5.869 -1.062 15.053 505 HD22 ASN 67 2HD2 ASN 67 -7.428 -1.419 15.715 506 H MET 68 H MET 68 -6.945 2.039 10.313 507 HA MET 68 HA MET 68 -5.025 1.895 8.316 508 HB2 MET 68 2HB MET 68 -6.532 3.826 8.670 509 HB3 MET 68 3HB MET 68 -5.711 4.223 10.168 510 HG2 MET 68 2HG MET 68 -4.776 5.777 8.750 511 HG3 MET 68 3HG MET 68 -3.604 4.480 8.555 512 HE1 MET 68 3HE MET 68 -4.940 2.428 6.414 513 HE2 MET 68 1HE MET 68 -3.305 3.096 6.332 514 HE3 MET 68 2HE MET 68 -4.377 3.217 4.942 515 H ALA 69 H ALA 69 -4.697 2.530 11.767 516 HA ALA 69 HA ALA 69 -2.024 3.100 12.058 517 HB1 ALA 69 3HB ALA 69 -2.268 2.305 14.363 518 HB2 ALA 69 1HB ALA 69 -3.758 1.459 13.933 519 HB3 ALA 69 2HB ALA 69 -3.689 3.222 13.866 520 H SER 70 H SER 70 -3.554 -0.116 11.830 521 HA SER 70 HA SER 70 -1.224 -1.682 12.230 522 HB2 SER 70 2HB SER 70 -3.444 -2.644 12.543 523 HB3 SER 70 3HB SER 70 -3.863 -2.351 10.857 524 HG SER 70 HG SER 70 -1.809 -4.087 11.785 525 H PHE 71 H PHE 71 -2.761 -0.365 9.287 526 HA PHE 71 HA PHE 71 -1.284 -1.874 7.374 527 HB2 PHE 71 2HB PHE 71 -3.435 -0.843 6.806 528 HB3 PHE 71 3HB PHE 71 -2.800 0.764 7.127 529 HD1 PHE 71 HD1 PHE 71 -2.258 -2.201 4.882 530 HD2 PHE 71 HD2 PHE 71 -1.972 2.046 5.297 531 HE1 PHE 71 HE1 PHE 71 -1.683 -1.993 2.498 532 HE2 PHE 71 HE2 PHE 71 -1.396 2.241 2.915 533 HZ PHE 71 HZ PHE 71 -1.245 0.220 1.514 534 H VAL 72 H VAL 72 -1.011 1.522 8.433 535 HA VAL 72 HA VAL 72 1.367 2.203 7.135 536 HB VAL 72 HB VAL 72 0.198 3.322 9.729 537 HG11 VAL 72 1HG1 VAL 72 2.226 4.602 7.857 538 HG12 VAL 72 2HG1 VAL 72 2.561 3.992 9.479 539 HG13 VAL 72 3HG1 VAL 72 1.486 5.373 9.262 540 HG21 VAL 72 3HG2 VAL 72 -1.384 3.454 7.838 541 HG22 VAL 72 1HG2 VAL 72 -0.163 4.268 6.854 542 HG23 VAL 72 2HG2 VAL 72 -0.820 5.065 8.289 543 H ARG 73 H ARG 73 0.836 0.817 10.412 544 HA ARG 73 HA ARG 73 3.450 0.824 11.407 545 HB2 ARG 73 2HB ARG 73 1.710 0.244 12.935 546 HB3 ARG 73 3HB ARG 73 1.089 -1.022 11.887 547 HG2 ARG 73 2HG ARG 73 3.091 -2.405 12.385 548 HG3 ARG 73 3HG ARG 73 3.691 -1.143 13.459 549 HD2 ARG 73 2HD ARG 73 1.862 -1.482 14.999 550 HD3 ARG 73 3HD ARG 73 1.021 -2.537 13.857 551 HE ARG 73 HE ARG 73 3.108 -4.009 14.119 552 HH11 ARG 73 1HH1 ARG 73 1.741 -2.145 16.777 553 HH12 ARG 73 2HH1 ARG 73 2.319 -3.239 17.993 554 HH21 ARG 73 1HH2 ARG 73 3.852 -5.424 15.705 555 HH22 ARG 73 2HH2 ARG 73 3.518 -5.100 17.382 556 H GLN 74 H GLN 74 1.792 -1.642 9.445 557 HA GLN 74 HA GLN 74 3.776 -3.604 9.313 558 HB2 GLN 74 2HB GLN 74 1.590 -2.799 7.361 559 HB3 GLN 74 3HB GLN 74 2.654 -4.158 7.033 560 HG2 GLN 74 2HG GLN 74 0.860 -3.945 9.465 561 HG3 GLN 74 3HG GLN 74 0.431 -4.784 7.978 562 HE21 GLN 74 1HE2 GLN 74 1.537 -6.700 7.428 563 HE22 GLN 74 2HE2 GLN 74 2.387 -7.627 8.608 564 H LEU 75 H LEU 75 3.089 -0.936 7.020 565 HA LEU 75 HA LEU 75 5.131 -1.497 5.175 566 HB2 LEU 75 2HB LEU 75 3.627 1.079 5.769 567 HB3 LEU 75 3HB LEU 75 4.663 0.856 4.361 568 HG LEU 75 HG LEU 75 2.201 -0.849 4.944 569 HD11 LEU 75 1HD1 LEU 75 2.474 1.450 3.003 570 HD12 LEU 75 2HD1 LEU 75 1.537 1.454 4.500 571 HD13 LEU 75 3HD1 LEU 75 1.077 0.386 3.178 572 HD21 LEU 75 3HD2 LEU 75 3.960 -0.665 2.473 573 HD22 LEU 75 1HD2 LEU 75 2.447 -1.571 2.589 574 HD23 LEU 75 2HD2 LEU 75 3.829 -2.038 3.579 575 H ASN 76 H ASN 76 5.080 0.784 7.924 576 HA ASN 76 HA ASN 76 7.645 1.882 7.640 577 HB2 ASN 76 2HB ASN 76 5.748 1.570 9.973 578 HB3 ASN 76 3HB ASN 76 7.403 2.054 10.317 579 HD21 ASN 76 1HD2 ASN 76 4.529 2.965 8.482 580 HD22 ASN 76 2HD2 ASN 76 4.884 4.644 8.437 581 H MET 77 H MET 77 6.614 -1.118 9.264 582 HA MET 77 HA MET 77 9.251 -1.811 10.198 583 HB2 MET 77 2HB MET 77 6.735 -3.503 9.894 584 HB3 MET 77 3HB MET 77 8.224 -4.088 10.616 585 HG2 MET 77 2HG MET 77 8.014 -2.336 12.377 586 HG3 MET 77 3HG MET 77 6.460 -1.872 11.682 587 HE1 MET 77 3HE MET 77 5.507 -4.905 10.756 588 HE2 MET 77 1HE MET 77 4.405 -3.695 11.424 589 HE3 MET 77 2HE MET 77 4.479 -5.307 12.125 590 H TYR 78 H TYR 78 7.421 -2.387 7.239 591 HA TYR 78 HA TYR 78 9.235 -4.367 6.142 592 HB2 TYR 78 2HB TYR 78 6.797 -2.912 5.047 593 HB3 TYR 78 3HB TYR 78 7.828 -3.851 3.980 594 HD1 TYR 78 HD1 TYR 78 8.372 -6.351 5.017 595 HD2 TYR 78 HD2 TYR 78 4.856 -4.041 5.762 596 HE1 TYR 78 HE1 TYR 78 7.117 -8.407 5.520 597 HE2 TYR 78 HE2 TYR 78 3.611 -6.093 6.277 598 HH TYR 78 HH TYR 78 3.753 -8.522 5.761 599 H GLY 79 H GLY 79 9.668 -1.158 6.666 600 HA2 GLY 79 2HA GLY 79 11.521 0.096 6.112 601 HA3 GLY 79 3HA GLY 79 11.946 -1.088 4.888 602 H PHE 80 H PHE 80 8.716 0.077 4.643 603 HA PHE 80 HA PHE 80 9.222 1.510 2.186 604 HB2 PHE 80 2HB PHE 80 6.691 1.077 3.844 605 HB3 PHE 80 3HB PHE 80 6.704 2.124 2.432 606 HD1 PHE 80 HD1 PHE 80 7.731 -1.402 3.331 607 HD2 PHE 80 HD2 PHE 80 5.929 1.189 0.436 608 HE1 PHE 80 HE1 PHE 80 7.200 -3.345 1.908 609 HE2 PHE 80 HE2 PHE 80 5.410 -0.759 -0.973 610 HZ PHE 80 HZ PHE 80 6.040 -3.024 -0.242 611 H ARG 81 H ARG 81 9.287 3.728 1.907 612 HA ARG 81 HA ARG 81 9.372 5.419 4.329 613 HB2 ARG 81 2HB ARG 81 11.409 5.559 2.999 614 HB3 ARG 81 3HB ARG 81 10.503 5.871 1.530 615 HG2 ARG 81 2HG ARG 81 9.891 8.076 2.267 616 HG3 ARG 81 3HG ARG 81 10.479 7.759 3.901 617 HD2 ARG 81 2HD ARG 81 12.003 9.212 2.599 618 HD3 ARG 81 3HD ARG 81 12.776 7.720 3.126 619 HE ARG 81 HE ARG 81 12.105 6.988 0.690 620 HH11 ARG 81 1HH1 ARG 81 13.450 10.102 1.666 621 HH12 ARG 81 2HH1 ARG 81 14.233 10.373 0.142 622 HH21 ARG 81 1HH2 ARG 81 13.167 7.347 -1.276 623 HH22 ARG 81 2HH2 ARG 81 14.071 8.809 -1.519 624 H LYS 82 H LYS 82 7.731 6.715 4.737 625 HA LYS 82 HA LYS 82 5.500 7.108 2.950 626 HB2 LYS 82 2HB LYS 82 5.305 6.726 5.431 627 HB3 LYS 82 3HB LYS 82 6.076 8.272 5.721 628 HG2 LYS 82 2HG LYS 82 3.462 8.019 4.205 629 HG3 LYS 82 3HG LYS 82 3.525 8.140 5.964 630 HD2 LYS 82 2HD LYS 82 4.733 10.342 5.708 631 HD3 LYS 82 3HD LYS 82 4.501 10.217 3.961 632 HE2 LYS 82 2HE LYS 82 2.801 11.658 4.905 633 HE3 LYS 82 3HE LYS 82 2.045 10.180 4.320 634 HZ1 LYS 82 3HZ LYS 82 2.824 10.586 7.150 635 HZ2 LYS 82 1HZ LYS 82 1.829 9.380 6.515 636 HZ3 LYS 82 2HZ LYS 82 1.297 10.983 6.551 637 H VAL 83 H VAL 83 5.209 8.836 1.642 638 HA VAL 83 HA VAL 83 6.694 11.357 2.032 639 HB VAL 83 HB VAL 83 6.084 10.041 -0.673 640 HG11 VAL 83 1HG1 VAL 83 7.442 11.882 -1.638 641 HG12 VAL 83 2HG1 VAL 83 7.592 12.607 -0.036 642 HG13 VAL 83 3HG1 VAL 83 6.007 12.490 -0.806 643 HG21 VAL 83 3HG2 VAL 83 8.527 9.756 -0.930 644 HG22 VAL 83 1HG2 VAL 83 7.911 8.841 0.450 645 HG23 VAL 83 2HG2 VAL 83 8.775 10.359 0.712 646 H VAL 84 H VAL 84 5.239 13.024 2.252 647 HA VAL 84 HA VAL 84 2.426 12.542 1.469 648 HB VAL 84 HB VAL 84 2.658 13.077 3.832 649 HG11 VAL 84 1HG1 VAL 84 3.518 15.220 4.677 650 HG12 VAL 84 2HG1 VAL 84 4.001 15.677 3.042 651 HG13 VAL 84 3HG1 VAL 84 4.775 14.305 3.837 652 HG21 VAL 84 3HG2 VAL 84 0.640 13.884 2.684 653 HG22 VAL 84 1HG2 VAL 84 1.439 15.416 2.320 654 HG23 VAL 84 2HG2 VAL 84 1.088 14.980 3.994 655 H HIS 85 H HIS 85 1.620 13.588 -0.226 656 HA HIS 85 HA HIS 85 3.259 15.647 -1.580 657 HB2 HIS 85 2HB HIS 85 0.992 13.901 -2.639 658 HB3 HIS 85 3HB HIS 85 1.825 15.129 -3.587 659 HD1 HIS 85 HD1 HIS 85 3.341 13.955 -5.174 660 HD2 HIS 85 HD2 HIS 85 3.316 12.096 -1.458 661 HE1 HIS 85 HE1 HIS 85 5.009 12.095 -5.327 662 HE2 HIS 85 HE2 HIS 85 5.083 11.095 -3.031 663 H ILE 86 H ILE 86 -0.115 14.973 -0.636 664 HA ILE 86 HA ILE 86 -0.898 17.750 -1.113 665 HB ILE 86 HB ILE 86 -2.541 15.357 -0.171 666 HG12 ILE 86 2HG1 ILE 86 -1.811 15.058 -2.488 667 HG13 ILE 86 3HG1 ILE 86 -3.526 15.451 -2.486 668 HG21 ILE 86 1HG2 ILE 86 -3.550 17.428 0.656 669 HG22 ILE 86 2HG2 ILE 86 -4.537 16.756 -0.643 670 HG23 ILE 86 3HG2 ILE 86 -3.485 18.138 -0.960 671 HD11 ILE 86 3HD1 ILE 86 -2.397 16.593 -4.275 672 HD12 ILE 86 1HD1 ILE 86 -1.256 17.326 -3.152 673 HD13 ILE 86 2HD1 ILE 86 -2.963 17.778 -3.099 674 H GLU 87 H GLU 87 0.015 18.993 0.410 675 HA GLU 87 HA GLU 87 0.064 18.374 3.235 676 HB2 GLU 87 2HB GLU 87 0.709 20.979 1.778 677 HB3 GLU 87 3HB GLU 87 1.082 20.622 3.464 678 HG2 GLU 87 2HG GLU 87 2.639 18.853 2.770 679 HG3 GLU 87 3HG GLU 87 2.225 19.136 1.078 680 H GLN 88 H GLN 88 -1.519 18.852 4.663 681 HA GLN 88 HA GLN 88 -3.946 20.260 3.737 682 HB2 GLN 88 2HB GLN 88 -3.509 18.132 5.882 683 HB3 GLN 88 3HB GLN 88 -5.033 18.994 5.697 684 HG2 GLN 88 2HG GLN 88 -3.734 17.231 3.597 685 HG3 GLN 88 3HG GLN 88 -5.103 16.787 4.619 686 HE21 GLN 88 1HE2 GLN 88 -7.090 17.898 4.311 687 HE22 GLN 88 2HE2 GLN 88 -7.469 18.657 2.809 688 H GLY 89 H GLY 89 -5.158 21.527 5.252 689 HA2 GLY 89 2HA GLY 89 -4.987 22.333 7.712 690 HA3 GLY 89 3HA GLY 89 -3.507 23.092 7.132 691 H GLY 90 H GLY 90 -3.696 24.610 5.334 692 HA2 GLY 90 2HA GLY 90 -6.313 25.884 4.905 693 HA3 GLY 90 3HA GLY 90 -5.060 26.836 5.692 694 H LEU 91 H LEU 91 -4.114 24.506 3.330 695 HA LEU 91 HA LEU 91 -3.192 26.589 1.489 696 HB2 LEU 91 2HB LEU 91 -2.761 23.570 1.423 697 HB3 LEU 91 3HB LEU 91 -1.951 24.752 0.405 698 HG LEU 91 HG LEU 91 -1.615 24.473 3.420 699 HD11 LEU 91 1HD1 LEU 91 -0.540 22.669 2.172 700 HD12 LEU 91 2HD1 LEU 91 0.661 23.740 2.891 701 HD13 LEU 91 3HD1 LEU 91 0.308 23.845 1.162 702 HD21 LEU 91 3HD2 LEU 91 -1.405 26.828 2.784 703 HD22 LEU 91 1HD2 LEU 91 -0.246 26.411 1.517 704 HD23 LEU 91 2HD2 LEU 91 0.170 26.170 3.217 705 H VAL 92 H VAL 92 -3.401 25.995 -0.939 706 HA VAL 92 HA VAL 92 -6.231 25.688 -1.543 707 HB VAL 92 HB VAL 92 -4.820 27.490 -2.567 708 HG11 VAL 92 1HG1 VAL 92 -2.745 26.271 -2.961 709 HG12 VAL 92 2HG1 VAL 92 -3.325 27.004 -4.457 710 HG13 VAL 92 3HG1 VAL 92 -3.535 25.273 -4.185 711 HG21 VAL 92 3HG2 VAL 92 -5.782 27.376 -4.833 712 HG22 VAL 92 1HG2 VAL 92 -6.956 26.882 -3.608 713 HG23 VAL 92 2HG2 VAL 92 -6.149 25.665 -4.598 714 H LYS 93 H LYS 93 -3.710 23.498 -1.215 715 HA LYS 93 HA LYS 93 -4.091 21.510 -3.136 716 HB2 LYS 93 2HB LYS 93 -3.451 21.261 -0.159 717 HB3 LYS 93 3HB LYS 93 -3.456 19.875 -1.238 718 HG2 LYS 93 2HG LYS 93 -1.625 22.281 -1.459 719 HG3 LYS 93 3HG LYS 93 -1.189 20.696 -0.808 720 HD2 LYS 93 2HD LYS 93 -1.669 19.677 -3.021 721 HD3 LYS 93 3HD LYS 93 -2.053 21.275 -3.664 722 HE2 LYS 93 2HE LYS 93 0.644 20.408 -2.578 723 HE3 LYS 93 3HE LYS 93 0.218 20.563 -4.281 724 HZ1 LYS 93 3HZ LYS 93 1.430 22.484 -3.502 725 HZ2 LYS 93 1HZ LYS 93 0.276 22.768 -2.301 726 HZ3 LYS 93 2HZ LYS 93 -0.143 22.928 -3.927 727 HA PRO 94 HA PRO 94 -8.311 19.974 -2.515 728 HB2 PRO 94 2HB PRO 94 -7.995 17.296 -3.181 729 HB3 PRO 94 3HB PRO 94 -8.016 18.594 -4.394 730 HG2 PRO 94 2HG PRO 94 -5.633 17.276 -3.114 731 HG3 PRO 94 3HG PRO 94 -5.940 17.597 -4.840 732 HD2 PRO 94 2HD PRO 94 -4.360 19.249 -3.464 733 HD3 PRO 94 3HD PRO 94 -5.538 19.916 -4.621 734 H GLU 95 H GLU 95 -9.559 18.586 -1.085 735 HA GLU 95 HA GLU 95 -8.213 18.163 1.470 736 HB2 GLU 95 2HB GLU 95 -10.516 17.903 2.387 737 HB3 GLU 95 3HB GLU 95 -10.244 19.434 1.565 738 HG2 GLU 95 2HG GLU 95 -11.434 18.564 -0.426 739 HG3 GLU 95 3HG GLU 95 -11.739 17.054 0.430 740 H ARG 96 H ARG 96 -7.085 16.410 0.135 741 HA ARG 96 HA ARG 96 -7.933 13.848 1.131 742 HB2 ARG 96 2HB ARG 96 -7.880 12.708 -1.092 743 HB3 ARG 96 3HB ARG 96 -9.204 13.857 -0.946 744 HG2 ARG 96 2HG ARG 96 -7.756 15.526 -2.214 745 HG3 ARG 96 3HG ARG 96 -6.639 14.192 -2.516 746 HD2 ARG 96 2HD ARG 96 -8.055 14.438 -4.435 747 HD3 ARG 96 3HD ARG 96 -8.540 12.954 -3.614 748 HE ARG 96 HE ARG 96 -10.380 14.312 -2.602 749 HH11 ARG 96 1HH1 ARG 96 -9.011 15.285 -5.686 750 HH12 ARG 96 2HH1 ARG 96 -10.445 16.125 -6.190 751 HH21 ARG 96 1HH2 ARG 96 -12.224 15.469 -3.240 752 HH22 ARG 96 2HH2 ARG 96 -12.261 16.227 -4.800 753 H ASP 97 H ASP 97 -6.106 14.344 2.304 754 HA ASP 97 HA ASP 97 -3.504 14.770 1.715 755 HB2 ASP 97 2HB ASP 97 -4.261 14.498 4.002 756 HB3 ASP 97 3HB ASP 97 -4.697 12.820 3.730 757 H ASP 98 H ASP 98 -1.925 13.790 0.559 758 HA ASP 98 HA ASP 98 -2.403 11.121 -0.587 759 HB2 ASP 98 2HB ASP 98 -1.811 12.990 -2.134 760 HB3 ASP 98 3HB ASP 98 -0.266 13.174 -1.309 761 H THR 99 H THR 99 -1.718 9.604 0.754 762 HA THR 99 HA THR 99 0.861 9.804 2.156 763 HB THR 99 HB THR 99 -1.167 7.532 2.455 764 HG1 THR 99 HG1 THR 99 -1.694 10.045 3.032 765 HG21 THR 99 3HG2 THR 99 0.875 8.702 4.381 766 HG22 THR 99 1HG2 THR 99 1.091 7.217 3.440 767 HG23 THR 99 2HG2 THR 99 -0.161 7.306 4.682 768 H GLU 100 H GLU 100 2.362 9.354 0.509 769 HA GLU 100 HA GLU 100 1.962 7.006 -1.234 770 HB2 GLU 100 2HB GLU 100 2.749 9.032 -2.398 771 HB3 GLU 100 3HB GLU 100 4.135 9.160 -1.314 772 HG2 GLU 100 2HG GLU 100 4.986 6.974 -2.184 773 HG3 GLU 100 3HG GLU 100 3.616 6.899 -3.290 774 H PHE 101 H PHE 101 3.209 5.195 -1.017 775 HA PHE 101 HA PHE 101 5.389 5.141 0.989 776 HB2 PHE 101 2HB PHE 101 3.425 2.900 0.330 777 HB3 PHE 101 3HB PHE 101 4.783 2.769 1.442 778 HD1 PHE 101 HD1 PHE 101 4.759 4.154 3.589 779 HD2 PHE 101 HD2 PHE 101 1.305 3.766 1.077 780 HE1 PHE 101 HE1 PHE 101 3.308 4.844 5.460 781 HE2 PHE 101 HE2 PHE 101 -0.128 4.447 2.959 782 HZ PHE 101 HZ PHE 101 0.871 4.975 5.147 783 H GLN 102 H GLN 102 7.285 4.603 0.122 784 HA GLN 102 HA GLN 102 7.389 3.318 -2.548 785 HB2 GLN 102 2HB GLN 102 9.359 4.613 -3.066 786 HB3 GLN 102 3HB GLN 102 8.122 5.729 -2.498 787 HG2 GLN 102 2HG GLN 102 9.217 5.840 -0.291 788 HG3 GLN 102 3HG GLN 102 10.441 4.696 -0.838 789 HE21 GLN 102 1HE2 GLN 102 9.347 7.953 -0.949 790 HE22 GLN 102 2HE2 GLN 102 10.709 8.620 -1.776 791 H HIS 103 H HIS 103 8.965 1.751 -2.897 792 HA HIS 103 HA HIS 103 11.027 1.124 -0.995 793 HB2 HIS 103 2HB HIS 103 8.917 0.018 -0.021 794 HB3 HIS 103 3HB HIS 103 8.902 -1.032 -1.433 795 HD1 HIS 103 HD1 HIS 103 10.629 -2.931 -1.492 796 HD2 HIS 103 HD2 HIS 103 10.962 -0.482 1.833 797 HE1 HIS 103 HE1 HIS 103 12.260 -4.069 0.035 798 HE2 HIS 103 HE2 HIS 103 12.560 -2.488 1.952 799 HA PRO 104 HA PRO 104 12.677 0.228 -5.065 800 HB2 PRO 104 2HB PRO 104 15.039 -1.064 -4.351 801 HB3 PRO 104 3HB PRO 104 14.804 0.693 -4.263 802 HG2 PRO 104 2HG PRO 104 14.562 -1.340 -2.063 803 HG3 PRO 104 3HG PRO 104 15.377 0.242 -2.047 804 HD2 PRO 104 2HD PRO 104 12.936 -0.050 -0.965 805 HD3 PRO 104 3HD PRO 104 13.357 1.432 -1.858 806 H CYS 105 H CYS 105 12.306 -2.408 -2.729 807 HA CYS 105 HA CYS 105 12.548 -4.489 -4.791 808 HB2 CYS 105 2HB CYS 105 11.965 -4.840 -1.827 809 HB3 CYS 105 3HB CYS 105 12.448 -6.097 -2.964 810 HG CYS 105 HG CYS 105 15.030 -5.243 -3.281 811 H PHE 106 H PHE 106 10.143 -2.443 -3.945 812 HA PHE 106 HA PHE 106 7.954 -4.379 -4.391 813 HB2 PHE 106 2HB PHE 106 7.606 -2.829 -2.472 814 HB3 PHE 106 3HB PHE 106 7.871 -1.442 -3.521 815 HD1 PHE 106 HD1 PHE 106 5.534 -4.236 -2.767 816 HD2 PHE 106 HD2 PHE 106 6.053 -0.547 -4.878 817 HE1 PHE 106 HE1 PHE 106 3.127 -4.179 -3.272 818 HE2 PHE 106 HE2 PHE 106 3.642 -0.500 -5.376 819 HZ PHE 106 HZ PHE 106 2.185 -2.316 -4.575 820 H LEU 107 H LEU 107 8.155 -4.740 -6.618 821 HA LEU 107 HA LEU 107 7.798 -2.401 -8.413 822 HB2 LEU 107 2HB LEU 107 9.000 -5.136 -9.032 823 HB3 LEU 107 3HB LEU 107 8.818 -3.821 -10.182 824 HG LEU 107 HG LEU 107 10.670 -3.832 -7.763 825 HD11 LEU 107 1HD1 LEU 107 11.308 -3.999 -10.725 826 HD12 LEU 107 2HD1 LEU 107 11.452 -5.305 -9.543 827 HD13 LEU 107 3HD1 LEU 107 12.486 -3.885 -9.413 828 HD21 LEU 107 3HD2 LEU 107 10.297 -1.680 -9.882 829 HD22 LEU 107 1HD2 LEU 107 11.552 -1.694 -8.639 830 HD23 LEU 107 2HD2 LEU 107 9.858 -1.558 -8.175 831 H ARG 108 H ARG 108 5.875 -2.336 -9.481 832 HA ARG 108 HA ARG 108 3.904 -4.408 -9.274 833 HB2 ARG 108 2HB ARG 108 3.385 -1.925 -9.411 834 HB3 ARG 108 3HB ARG 108 3.880 -1.944 -11.094 835 HG2 ARG 108 2HG ARG 108 1.611 -3.697 -10.089 836 HG3 ARG 108 3HG ARG 108 1.340 -2.021 -10.554 837 HD2 ARG 108 2HD ARG 108 2.112 -2.508 -12.833 838 HD3 ARG 108 3HD ARG 108 2.476 -4.172 -12.379 839 HE ARG 108 HE ARG 108 -0.243 -3.598 -11.872 840 HH11 ARG 108 1HH1 ARG 108 1.937 -4.175 -14.594 841 HH12 ARG 108 2HH1 ARG 108 0.674 -4.794 -15.613 842 HH21 ARG 108 1HH2 ARG 108 -1.847 -4.439 -13.217 843 HH22 ARG 108 2HH2 ARG 108 -1.457 -4.940 -14.832 844 H GLY 109 H GLY 109 4.643 -6.238 -10.165 845 HA2 GLY 109 2HA GLY 109 4.462 -7.250 -12.576 846 HA3 GLY 109 3HA GLY 109 5.951 -6.321 -12.796 847 H GLN 110 H GLN 110 7.356 -6.542 -10.638 848 HA GLN 110 HA GLN 110 8.045 -9.375 -10.373 849 HB2 GLN 110 2HB GLN 110 9.442 -6.788 -9.622 850 HB3 GLN 110 3HB GLN 110 9.992 -8.321 -8.970 851 HG2 GLN 110 2HG GLN 110 11.341 -7.632 -10.882 852 HG3 GLN 110 3HG GLN 110 10.493 -9.141 -11.216 853 HE21 GLN 110 1HE2 GLN 110 10.701 -5.736 -11.977 854 HE22 GLN 110 2HE2 GLN 110 9.745 -5.791 -13.415 855 H GLU 111 H GLU 111 5.982 -9.771 -9.208 856 HA GLU 111 HA GLU 111 5.694 -8.920 -6.481 857 HB2 GLU 111 2HB GLU 111 3.925 -10.816 -6.422 858 HB3 GLU 111 3HB GLU 111 3.650 -9.445 -7.477 859 HG2 GLU 111 2HG GLU 111 2.962 -11.409 -8.645 860 HG3 GLU 111 3HG GLU 111 4.430 -10.813 -9.412 861 H GLN 112 H GLN 112 7.560 -11.396 -7.978 862 HA GLN 112 HA GLN 112 7.880 -13.091 -5.725 863 HB2 GLN 112 2HB GLN 112 9.690 -14.147 -6.847 864 HB3 GLN 112 3HB GLN 112 8.512 -13.747 -8.078 865 HG2 GLN 112 2HG GLN 112 10.844 -11.898 -7.612 866 HG3 GLN 112 3HG GLN 112 11.088 -13.400 -8.492 867 HE21 GLN 112 1HE2 GLN 112 11.668 -12.250 -10.351 868 HE22 GLN 112 2HE2 GLN 112 10.502 -11.430 -11.324 869 H LEU 113 H LEU 113 9.144 -9.935 -6.386 870 HA LEU 113 HA LEU 113 11.532 -10.196 -4.751 871 HB2 LEU 113 2HB LEU 113 10.265 -7.803 -6.124 872 HB3 LEU 113 3HB LEU 113 11.719 -7.683 -5.146 873 HG LEU 113 HG LEU 113 11.426 -9.234 -7.757 874 HD11 LEU 113 1HD1 LEU 113 13.052 -7.618 -8.644 875 HD12 LEU 113 2HD1 LEU 113 13.079 -6.769 -7.098 876 HD13 LEU 113 3HD1 LEU 113 11.602 -6.800 -8.063 877 HD21 LEU 113 3HD2 LEU 113 13.836 -9.744 -7.552 878 HD22 LEU 113 1HD2 LEU 113 12.900 -10.477 -6.249 879 HD23 LEU 113 2HD2 LEU 113 13.853 -9.024 -5.940 880 H LEU 114 H LEU 114 8.294 -9.821 -4.019 881 HA LEU 114 HA LEU 114 8.390 -8.018 -1.823 882 HB2 LEU 114 2HB LEU 114 6.411 -10.251 -2.362 883 HB3 LEU 114 3HB LEU 114 6.171 -8.922 -1.237 884 HG LEU 114 HG LEU 114 6.427 -8.622 -4.261 885 HD11 LEU 114 1HD1 LEU 114 4.025 -8.152 -4.254 886 HD12 LEU 114 2HD1 LEU 114 3.946 -8.491 -2.522 887 HD13 LEU 114 3HD1 LEU 114 4.364 -9.778 -3.659 888 HD21 LEU 114 3HD2 LEU 114 5.730 -6.548 -2.151 889 HD22 LEU 114 1HD2 LEU 114 5.681 -6.299 -3.899 890 HD23 LEU 114 2HD2 LEU 114 7.218 -6.619 -3.100 891 H GLU 115 H GLU 115 9.242 -11.411 -2.103 892 HA GLU 115 HA GLU 115 9.249 -11.882 0.765 893 HB2 GLU 115 2HB GLU 115 10.261 -14.051 0.281 894 HB3 GLU 115 3HB GLU 115 8.809 -13.775 -0.668 895 HG2 GLU 115 2HG GLU 115 10.076 -13.435 -2.673 896 HG3 GLU 115 3HG GLU 115 11.600 -13.385 -1.784 897 H ASN 116 H ASN 116 11.294 -10.125 -1.170 898 HA ASN 116 HA ASN 116 13.707 -10.575 0.453 899 HB2 ASN 116 2HB ASN 116 13.155 -8.562 -1.788 900 HB3 ASN 116 3HB ASN 116 14.705 -8.785 -0.978 901 HD21 ASN 116 1HD2 ASN 116 12.371 -10.284 -3.088 902 HD22 ASN 116 2HD2 ASN 116 13.451 -11.412 -3.815 903 H ILE 117 H ILE 117 10.815 -8.863 0.527 904 HA ILE 117 HA ILE 117 11.757 -6.592 2.131 905 HB ILE 117 HB ILE 117 8.871 -7.246 1.340 906 HG12 ILE 117 2HG1 ILE 117 10.852 -5.518 -0.207 907 HG13 ILE 117 3HG1 ILE 117 10.197 -7.061 -0.739 908 HG21 ILE 117 1HG2 ILE 117 8.465 -4.845 1.759 909 HG22 ILE 117 2HG2 ILE 117 10.164 -4.623 2.176 910 HG23 ILE 117 3HG2 ILE 117 9.134 -5.632 3.193 911 HD11 ILE 117 3HD1 ILE 117 7.956 -6.060 -0.832 912 HD12 ILE 117 1HD1 ILE 117 9.116 -5.242 -1.877 913 HD13 ILE 117 2HD1 ILE 117 8.640 -4.503 -0.349 914 H LYS 118 H LYS 118 11.779 -6.843 4.344 915 HA LYS 118 HA LYS 118 9.872 -8.655 5.618 916 HB2 LYS 118 2HB LYS 118 11.835 -9.388 7.213 917 HB3 LYS 118 3HB LYS 118 11.563 -10.202 5.688 918 HG2 LYS 118 2HG LYS 118 13.883 -9.995 5.846 919 HG3 LYS 118 3HG LYS 118 13.411 -8.743 4.705 920 HD2 LYS 118 2HD LYS 118 13.729 -7.990 7.613 921 HD3 LYS 118 3HD LYS 118 15.182 -8.284 6.663 922 HE2 LYS 118 2HE LYS 118 14.406 -6.566 5.034 923 HE3 LYS 118 3HE LYS 118 13.029 -6.244 6.074 924 HZ1 LYS 118 3HZ LYS 118 14.609 -5.661 7.857 925 HZ2 LYS 118 1HZ LYS 118 14.709 -4.637 6.515 926 HZ3 LYS 118 2HZ LYS 118 15.881 -5.828 6.761 927 H ARG 119 H ARG 119 10.031 -8.438 8.079 928 HA ARG 119 HA ARG 119 10.112 -5.574 8.815 929 HB2 ARG 119 2HB ARG 119 7.844 -5.868 9.897 930 HB3 ARG 119 3HB ARG 119 7.801 -5.959 8.137 931 HG2 ARG 119 2HG ARG 119 7.534 -8.334 8.167 932 HG3 ARG 119 3HG ARG 119 7.918 -8.434 9.880 933 HD2 ARG 119 2HD ARG 119 5.796 -7.184 10.363 934 HD3 ARG 119 3HD ARG 119 5.401 -7.291 8.638 935 HE ARG 119 HE ARG 119 6.000 -9.868 9.437 936 HH11 ARG 119 1HH1 ARG 119 3.550 -7.498 10.326 937 HH12 ARG 119 2HH1 ARG 119 2.397 -8.710 10.774 938 HH21 ARG 119 1HH2 ARG 119 4.523 -11.395 10.106 939 HH22 ARG 119 2HH2 ARG 119 2.950 -10.915 10.650 940 H LYS 120 H LYS 120 9.723 -8.915 9.808 941 HA LYS 120 HA LYS 120 11.047 -8.540 12.401 942 HB2 LYS 120 2HB LYS 120 8.338 -9.957 12.059 943 HB3 LYS 120 3HB LYS 120 9.233 -9.774 13.557 944 HG2 LYS 120 2HG LYS 120 7.894 -7.537 12.009 945 HG3 LYS 120 3HG LYS 120 7.256 -8.303 13.463 946 HD2 LYS 120 2HD LYS 120 9.844 -6.704 13.297 947 HD3 LYS 120 3HD LYS 120 8.313 -6.098 13.926 948 HE2 LYS 120 2HE LYS 120 8.389 -7.711 15.761 949 HE3 LYS 120 3HE LYS 120 9.856 -8.437 15.099 950 HZ1 LYS 120 3HZ LYS 120 10.303 -6.899 16.928 951 HZ2 LYS 120 1HZ LYS 120 9.626 -5.629 16.045 952 HZ3 LYS 120 2HZ LYS 120 11.034 -6.387 15.495 953 H VAL 121 H VAL 121 10.557 -11.278 13.232 954 HA VAL 121 HA VAL 121 11.564 -12.896 10.940 955 HB VAL 121 HB VAL 121 12.319 -14.577 12.579 956 HG11 VAL 121 1HG1 VAL 121 13.904 -12.821 11.903 957 HG12 VAL 121 2HG1 VAL 121 14.195 -13.320 13.569 958 HG13 VAL 121 3HG1 VAL 121 13.367 -11.796 13.239 959 HG21 VAL 121 3HG2 VAL 121 11.376 -12.646 14.737 960 HG22 VAL 121 1HG2 VAL 121 12.297 -14.130 15.011 961 HG23 VAL 121 2HG2 VAL 121 10.659 -14.216 14.363 962 H THR 122 H THR 122 8.710 -12.051 12.104 963 HA THR 122 HA THR 122 7.445 -14.711 11.793 964 HB THR 122 HB THR 122 7.021 -13.851 14.030 965 HG1 THR 122 HG1 THR 122 5.180 -14.796 13.576 966 HG21 THR 122 3HG2 THR 122 7.327 -11.424 13.664 967 HG22 THR 122 1HG2 THR 122 5.787 -11.755 14.455 968 HG23 THR 122 2HG2 THR 122 5.828 -11.361 12.733 969 H SER 123 H SER 123 5.710 -14.915 10.450 970 HA SER 123 HA SER 123 4.286 -12.754 9.222 971 HB2 SER 123 2HB SER 123 6.325 -12.784 7.757 972 HB3 SER 123 3HB SER 123 6.057 -14.494 7.425 973 HG SER 123 HG SER 123 5.000 -13.673 5.795 974 H VAL 124 H VAL 124 2.895 -14.106 10.619 975 HA VAL 124 HA VAL 124 2.086 -16.755 9.537 976 HB VAL 124 HB VAL 124 1.264 -17.231 11.870 977 HG11 VAL 124 1HG1 VAL 124 3.516 -17.992 11.224 978 HG12 VAL 124 2HG1 VAL 124 3.491 -17.535 12.928 979 HG13 VAL 124 3HG1 VAL 124 4.209 -16.449 11.735 980 HG21 VAL 124 3HG2 VAL 124 2.554 -14.559 12.590 981 HG22 VAL 124 1HG2 VAL 124 1.901 -15.723 13.750 982 HG23 VAL 124 2HG2 VAL 124 0.827 -14.911 12.610 983 H SER 125 H SER 125 -0.333 -17.044 10.866 984 HA SER 125 HA SER 125 -2.188 -15.681 9.252 985 HB2 SER 125 2HB SER 125 -3.907 -16.741 10.808 986 HB3 SER 125 3HB SER 125 -2.752 -17.865 10.101 987 HG SER 125 HG SER 125 -2.485 -16.731 12.697 Start of MODEL 16 1 H1 MET 1 1H MET 1 28.070 -14.423 -20.783 2 H2 MET 1 2H MET 1 27.518 -14.132 -19.208 3 H3 MET 1 3H MET 1 26.650 -13.537 -20.524 4 HA MET 1 HA MET 1 26.079 -15.714 -21.243 5 HB2 MET 1 2HB MET 1 28.135 -16.885 -20.449 6 HB3 MET 1 3HB MET 1 27.641 -16.639 -18.782 7 HG2 MET 1 2HG MET 1 25.638 -18.054 -19.214 8 HG3 MET 1 3HG MET 1 26.255 -18.380 -20.830 9 HE1 MET 1 3HE MET 1 29.559 -20.395 -19.987 10 HE2 MET 1 1HE MET 1 29.438 -18.659 -20.266 11 HE3 MET 1 2HE MET 1 28.538 -19.785 -21.288 12 H GLY 2 H GLY 2 23.957 -15.688 -20.840 13 HA2 GLY 2 2HA GLY 2 22.757 -14.684 -18.448 14 HA3 GLY 2 3HA GLY 2 21.937 -15.447 -19.806 15 H HIS 3 H HIS 3 22.489 -15.813 -16.582 16 HA HIS 3 HA HIS 3 22.699 -18.692 -16.405 17 HB2 HIS 3 2HB HIS 3 23.462 -17.318 -14.519 18 HB3 HIS 3 3HB HIS 3 21.866 -16.597 -14.335 19 HD1 HIS 3 HD1 HIS 3 20.226 -17.830 -12.852 20 HD2 HIS 3 HD2 HIS 3 23.550 -20.139 -13.811 21 HE1 HIS 3 HE1 HIS 3 20.001 -19.935 -11.501 22 HE2 HIS 3 HE2 HIS 3 21.957 -21.357 -12.174 23 H HIS 4 H HIS 4 20.150 -16.348 -16.750 24 HA HIS 4 HA HIS 4 17.961 -16.436 -17.265 25 HB2 HIS 4 2HB HIS 4 18.331 -19.457 -17.478 26 HB3 HIS 4 3HB HIS 4 16.836 -18.614 -17.872 27 HD1 HIS 4 HD1 HIS 4 16.582 -17.994 -20.261 28 HD2 HIS 4 HD2 HIS 4 20.562 -18.610 -19.253 29 HE1 HIS 4 HE1 HIS 4 17.849 -17.832 -22.417 30 HE2 HIS 4 HE2 HIS 4 20.219 -18.416 -21.808 31 H HIS 5 H HIS 5 16.647 -15.785 -15.681 32 HA HIS 5 HA HIS 5 15.874 -17.644 -13.502 33 HB2 HIS 5 2HB HIS 5 15.207 -14.687 -13.986 34 HB3 HIS 5 3HB HIS 5 14.474 -15.644 -12.705 35 HD1 HIS 5 HD1 HIS 5 15.455 -14.681 -10.637 36 HD2 HIS 5 HD2 HIS 5 18.344 -15.395 -13.527 37 HE1 HIS 5 HE1 HIS 5 17.646 -14.141 -9.540 38 HE2 HIS 5 HE2 HIS 5 19.355 -14.429 -11.347 39 H HIS 6 H HIS 6 15.283 -18.555 -16.021 40 HA HIS 6 HA HIS 6 12.827 -17.710 -17.156 41 HB2 HIS 6 2HB HIS 6 14.621 -19.005 -18.373 42 HB3 HIS 6 3HB HIS 6 14.184 -20.431 -17.436 43 HD1 HIS 6 HD1 HIS 6 13.554 -18.850 -20.580 44 HD2 HIS 6 HD2 HIS 6 11.304 -21.200 -17.986 45 HE1 HIS 6 HE1 HIS 6 11.639 -19.723 -21.952 46 HE2 HIS 6 HE2 HIS 6 10.230 -21.033 -20.336 47 H HIS 7 H HIS 7 11.023 -17.747 -15.990 48 HA HIS 7 HA HIS 7 10.215 -20.172 -14.491 49 HB2 HIS 7 2HB HIS 7 9.992 -17.275 -13.554 50 HB3 HIS 7 3HB HIS 7 9.192 -18.629 -12.755 51 HD1 HIS 7 HD1 HIS 7 11.890 -16.580 -12.108 52 HD2 HIS 7 HD2 HIS 7 11.551 -20.721 -12.299 53 HE1 HIS 7 HE1 HIS 7 13.820 -17.474 -10.766 54 HE2 HIS 7 HE2 HIS 7 13.692 -19.967 -11.060 55 H HIS 8 H HIS 8 8.352 -20.910 -15.228 56 HA HIS 8 HA HIS 8 6.568 -19.471 -16.965 57 HB2 HIS 8 2HB HIS 8 6.285 -22.129 -15.493 58 HB3 HIS 8 3HB HIS 8 5.039 -21.485 -16.559 59 HD1 HIS 8 HD1 HIS 8 5.513 -21.486 -19.095 60 HD2 HIS 8 HD2 HIS 8 8.519 -23.219 -16.813 61 HE1 HIS 8 HE1 HIS 8 6.976 -22.709 -20.726 62 HE2 HIS 8 HE2 HIS 8 8.648 -23.920 -19.300 63 H SER 9 H SER 9 6.621 -20.338 -13.552 64 HA SER 9 HA SER 9 5.586 -19.586 -11.707 65 HB2 SER 9 2HB SER 9 4.906 -17.139 -13.399 66 HB3 SER 9 3HB SER 9 4.898 -17.225 -11.637 67 HG SER 9 HG SER 9 7.076 -17.435 -11.614 68 H HIS 10 H HIS 10 3.984 -21.052 -13.849 69 HA HIS 10 HA HIS 10 1.256 -20.137 -13.357 70 HB2 HIS 10 2HB HIS 10 0.534 -21.646 -15.086 71 HB3 HIS 10 3HB HIS 10 1.920 -20.746 -15.667 72 HD1 HIS 10 HD1 HIS 10 0.887 -23.452 -16.868 73 HD2 HIS 10 HD2 HIS 10 4.108 -23.064 -14.270 74 HE1 HIS 10 HE1 HIS 10 2.377 -25.422 -17.338 75 HE2 HIS 10 HE2 HIS 10 4.185 -25.278 -15.606 76 H MET 11 H MET 11 3.424 -22.442 -12.099 77 HA MET 11 HA MET 11 1.484 -24.286 -11.015 78 HB2 MET 11 2HB MET 11 4.427 -23.832 -10.320 79 HB3 MET 11 3HB MET 11 3.425 -25.093 -9.602 80 HG2 MET 11 2HG MET 11 3.048 -26.019 -11.889 81 HG3 MET 11 3HG MET 11 4.188 -24.821 -12.503 82 HE1 MET 11 3HE MET 11 6.051 -28.340 -12.626 83 HE2 MET 11 1HE MET 11 5.435 -27.011 -13.609 84 HE3 MET 11 2HE MET 11 4.311 -28.099 -12.788 85 H ALA 12 H ALA 12 0.985 -24.516 -8.749 86 HA ALA 12 HA ALA 12 0.324 -21.983 -7.515 87 HB1 ALA 12 3HB ALA 12 -1.310 -23.814 -7.558 88 HB2 ALA 12 1HB ALA 12 -0.943 -23.345 -5.899 89 HB3 ALA 12 2HB ALA 12 -0.240 -24.817 -6.575 90 H GLY 13 H GLY 13 3.196 -23.380 -7.506 91 HA2 GLY 13 2HA GLY 13 3.872 -22.596 -4.740 92 HA3 GLY 13 3HA GLY 13 4.878 -23.559 -5.812 93 HA PRO 14 HA PRO 14 5.412 -19.027 -7.310 94 HB2 PRO 14 2HB PRO 14 4.147 -16.976 -6.122 95 HB3 PRO 14 3HB PRO 14 3.218 -18.116 -7.114 96 HG2 PRO 14 2HG PRO 14 3.408 -17.943 -4.145 97 HG3 PRO 14 3HG PRO 14 1.997 -18.279 -5.169 98 HD2 PRO 14 2HD PRO 14 3.584 -20.228 -3.891 99 HD3 PRO 14 3HD PRO 14 2.426 -20.521 -5.207 100 H SER 15 H SER 15 6.104 -16.648 -6.062 101 HA SER 15 HA SER 15 8.339 -17.205 -4.400 102 HB2 SER 15 2HB SER 15 6.882 -14.599 -5.036 103 HB3 SER 15 3HB SER 15 8.386 -14.685 -4.114 104 HG SER 15 HG SER 15 9.247 -15.846 -5.963 105 H ASN 16 H ASN 16 8.620 -16.299 -2.219 106 HA ASN 16 HA ASN 16 6.542 -17.350 -0.442 107 HB2 ASN 16 2HB ASN 16 9.349 -16.281 0.151 108 HB3 ASN 16 3HB ASN 16 8.331 -17.167 1.283 109 HD21 ASN 16 1HD2 ASN 16 10.167 -17.414 -1.700 110 HD22 ASN 16 2HD2 ASN 16 10.363 -19.130 -1.652 111 H VAL 17 H VAL 17 5.681 -15.043 -1.655 112 HA VAL 17 HA VAL 17 6.304 -12.616 -0.341 113 HB VAL 17 HB VAL 17 3.903 -13.331 -2.105 114 HG11 VAL 17 1HG1 VAL 17 4.979 -10.595 -1.313 115 HG12 VAL 17 2HG1 VAL 17 3.445 -11.301 -0.810 116 HG13 VAL 17 3HG1 VAL 17 3.702 -10.886 -2.503 117 HG21 VAL 17 3HG2 VAL 17 6.037 -13.691 -3.259 118 HG22 VAL 17 1HG2 VAL 17 6.575 -12.063 -2.834 119 HG23 VAL 17 2HG2 VAL 17 5.212 -12.291 -3.940 120 HA PRO 18 HA PRO 18 3.724 -13.304 3.426 121 HB2 PRO 18 2HB PRO 18 3.962 -10.268 3.438 122 HB3 PRO 18 3HB PRO 18 4.200 -11.425 4.771 123 HG2 PRO 18 2HG PRO 18 6.303 -10.342 3.600 124 HG3 PRO 18 3HG PRO 18 6.317 -12.072 4.027 125 HD2 PRO 18 2HD PRO 18 5.922 -10.795 1.327 126 HD3 PRO 18 3HD PRO 18 6.822 -12.264 1.760 127 H ALA 19 H ALA 19 1.500 -13.078 3.859 128 HA ALA 19 HA ALA 19 -0.264 -12.863 1.750 129 HB1 ALA 19 3HB ALA 19 -0.872 -12.532 4.702 130 HB2 ALA 19 1HB ALA 19 -0.749 -14.063 3.836 131 HB3 ALA 19 2HB ALA 19 -2.050 -12.935 3.449 132 H PHE 20 H PHE 20 0.484 -10.408 4.237 133 HA PHE 20 HA PHE 20 -1.136 -8.324 3.525 134 HB2 PHE 20 2HB PHE 20 0.372 -8.312 5.488 135 HB3 PHE 20 3HB PHE 20 1.777 -8.170 4.441 136 HD1 PHE 20 HD1 PHE 20 2.227 -6.019 3.250 137 HD2 PHE 20 HD2 PHE 20 -0.997 -6.370 6.034 138 HE1 PHE 20 HE1 PHE 20 2.054 -3.569 3.362 139 HE2 PHE 20 HE2 PHE 20 -1.156 -3.914 6.143 140 HZ PHE 20 HZ PHE 20 0.367 -2.516 4.806 141 H LEU 21 H LEU 21 2.006 -9.175 2.057 142 HA LEU 21 HA LEU 21 2.112 -6.758 0.467 143 HB2 LEU 21 2HB LEU 21 3.937 -9.190 0.582 144 HB3 LEU 21 3HB LEU 21 4.235 -7.813 -0.462 145 HG LEU 21 HG LEU 21 4.158 -7.705 2.580 146 HD11 LEU 21 1HD1 LEU 21 6.586 -7.355 2.440 147 HD12 LEU 21 2HD1 LEU 21 6.532 -7.565 0.687 148 HD13 LEU 21 3HD1 LEU 21 6.122 -8.910 1.753 149 HD21 LEU 21 3HD2 LEU 21 3.408 -5.589 1.595 150 HD22 LEU 21 1HD2 LEU 21 4.856 -5.520 0.587 151 HD23 LEU 21 2HD2 LEU 21 4.991 -5.403 2.345 152 H THR 22 H THR 22 1.275 -10.156 -0.154 153 HA THR 22 HA THR 22 1.114 -9.830 -2.994 154 HB THR 22 HB THR 22 1.484 -12.071 -1.923 155 HG1 THR 22 HG1 THR 22 0.705 -11.962 -4.081 156 HG21 THR 22 3HG2 THR 22 -0.435 -13.357 -1.078 157 HG22 THR 22 1HG2 THR 22 -1.470 -11.938 -1.230 158 HG23 THR 22 2HG2 THR 22 -0.135 -11.936 -0.077 159 H LYS 23 H LYS 23 -1.217 -9.536 -0.325 160 HA LYS 23 HA LYS 23 -3.520 -9.102 -1.977 161 HB2 LYS 23 2HB LYS 23 -2.933 -8.472 0.942 162 HB3 LYS 23 3HB LYS 23 -4.468 -8.054 0.198 163 HG2 LYS 23 2HG LYS 23 -3.508 -10.908 0.078 164 HG3 LYS 23 3HG LYS 23 -4.194 -10.285 1.570 165 HD2 LYS 23 2HD LYS 23 -5.953 -11.401 0.376 166 HD3 LYS 23 3HD LYS 23 -6.279 -9.673 0.308 167 HE2 LYS 23 2HE LYS 23 -6.761 -10.728 -1.852 168 HE3 LYS 23 3HE LYS 23 -5.408 -9.608 -2.002 169 HZ1 LYS 23 3HZ LYS 23 -5.178 -12.563 -1.752 170 HZ2 LYS 23 1HZ LYS 23 -3.888 -11.486 -1.920 171 HZ3 LYS 23 2HZ LYS 23 -4.995 -11.678 -3.182 172 H LEU 24 H LEU 24 -1.155 -6.971 -0.389 173 HA LEU 24 HA LEU 24 -2.139 -4.493 -1.200 174 HB2 LEU 24 2HB LEU 24 -0.366 -4.767 0.508 175 HB3 LEU 24 3HB LEU 24 0.745 -5.356 -0.719 176 HG LEU 24 HG LEU 24 0.732 -3.119 -1.805 177 HD11 LEU 24 1HD1 LEU 24 -1.496 -2.333 -1.200 178 HD12 LEU 24 2HD1 LEU 24 -0.276 -1.169 -0.695 179 HD13 LEU 24 3HD1 LEU 24 -1.031 -2.227 0.501 180 HD21 LEU 24 3HD2 LEU 24 2.468 -3.632 -0.154 181 HD22 LEU 24 1HD2 LEU 24 1.441 -3.029 1.151 182 HD23 LEU 24 2HD2 LEU 24 2.040 -1.926 -0.093 183 H TRP 25 H TRP 25 0.139 -6.708 -2.824 184 HA TRP 25 HA TRP 25 0.822 -5.246 -5.084 185 HB2 TRP 25 2HB TRP 25 1.839 -7.417 -4.332 186 HB3 TRP 25 3HB TRP 25 0.389 -8.261 -4.853 187 HD1 TRP 25 HD1 TRP 25 0.239 -8.918 -7.409 188 HE1 TRP 25 HE1 TRP 25 1.864 -8.709 -9.391 189 HE3 TRP 25 HE3 TRP 25 3.660 -5.748 -5.318 190 HZ2 TRP 25 HZ2 TRP 25 4.295 -7.413 -9.975 191 HZ3 TRP 25 HZ3 TRP 25 5.614 -5.071 -6.646 192 HH2 TRP 25 HH2 TRP 25 5.918 -5.892 -8.931 193 H THR 26 H THR 26 -1.853 -7.562 -4.663 194 HA THR 26 HA THR 26 -3.163 -7.215 -7.132 195 HB THR 26 HB THR 26 -4.407 -7.971 -4.441 196 HG1 THR 26 HG1 THR 26 -3.060 -9.603 -4.711 197 HG21 THR 26 3HG2 THR 26 -6.103 -9.186 -5.779 198 HG22 THR 26 1HG2 THR 26 -5.364 -8.587 -7.274 199 HG23 THR 26 2HG2 THR 26 -6.137 -7.468 -6.157 200 H LEU 27 H LEU 27 -3.451 -5.493 -4.043 201 HA LEU 27 HA LEU 27 -5.882 -4.157 -4.415 202 HB2 LEU 27 2HB LEU 27 -5.019 -4.521 -2.217 203 HB3 LEU 27 3HB LEU 27 -3.468 -3.809 -2.616 204 HG LEU 27 HG LEU 27 -4.469 -1.567 -2.620 205 HD11 LEU 27 1HD1 LEU 27 -7.061 -2.916 -1.845 206 HD12 LEU 27 2HD1 LEU 27 -6.712 -2.135 -3.389 207 HD13 LEU 27 3HD1 LEU 27 -6.760 -1.177 -1.915 208 HD21 LEU 27 3HD2 LEU 27 -3.524 -2.451 -0.524 209 HD22 LEU 27 1HD2 LEU 27 -5.099 -3.115 -0.078 210 HD23 LEU 27 2HD2 LEU 27 -4.874 -1.368 -0.204 211 H VAL 28 H VAL 28 -2.535 -2.893 -4.676 212 HA VAL 28 HA VAL 28 -3.133 -0.278 -5.464 213 HB VAL 28 HB VAL 28 -0.643 -1.841 -6.317 214 HG11 VAL 28 1HG1 VAL 28 -1.036 1.133 -5.852 215 HG12 VAL 28 2HG1 VAL 28 -0.933 0.345 -7.427 216 HG13 VAL 28 3HG1 VAL 28 0.463 0.341 -6.351 217 HG21 VAL 28 3HG2 VAL 28 -0.954 -2.039 -3.867 218 HG22 VAL 28 1HG2 VAL 28 -1.022 -0.282 -3.732 219 HG23 VAL 28 2HG2 VAL 28 0.460 -1.071 -4.276 220 H SER 29 H SER 29 -2.947 -3.216 -7.342 221 HA SER 29 HA SER 29 -2.968 -1.913 -9.952 222 HB2 SER 29 2HB SER 29 -1.576 -3.913 -9.562 223 HB3 SER 29 3HB SER 29 -3.005 -4.857 -9.142 224 HG SER 29 HG SER 29 -2.226 -3.806 -11.660 225 H ASP 30 H ASP 30 -5.308 -2.925 -7.667 226 HA ASP 30 HA ASP 30 -7.233 -4.076 -9.473 227 HB2 ASP 30 2HB ASP 30 -7.062 -4.839 -7.128 228 HB3 ASP 30 3HB ASP 30 -7.532 -3.247 -6.548 229 HA PRO 31 HA PRO 31 -8.823 -0.132 -10.904 230 HB2 PRO 31 2HB PRO 31 -11.110 -1.003 -12.183 231 HB3 PRO 31 3HB PRO 31 -9.476 -1.205 -12.846 232 HG2 PRO 31 2HG PRO 31 -11.154 -3.188 -11.353 233 HG3 PRO 31 3HG PRO 31 -10.175 -3.417 -12.823 234 HD2 PRO 31 2HD PRO 31 -9.277 -4.185 -10.393 235 HD3 PRO 31 3HD PRO 31 -8.176 -3.543 -11.632 236 H ASP 32 H ASP 32 -10.965 -2.213 -8.938 237 HA ASP 32 HA ASP 32 -13.017 -0.280 -8.445 238 HB2 ASP 32 2HB ASP 32 -13.457 -2.643 -8.003 239 HB3 ASP 32 3HB ASP 32 -12.149 -2.729 -6.829 240 H THR 33 H THR 33 -9.945 -0.999 -6.946 241 HA THR 33 HA THR 33 -10.398 0.952 -4.774 242 HB THR 33 HB THR 33 -8.377 -0.160 -3.731 243 HG1 THR 33 HG1 THR 33 -7.387 -1.150 -5.435 244 HG21 THR 33 3HG2 THR 33 -9.572 -2.204 -3.022 245 HG22 THR 33 1HG2 THR 33 -10.724 -2.004 -4.342 246 HG23 THR 33 2HG2 THR 33 -10.664 -0.820 -3.031 247 H ASP 34 H ASP 34 -9.104 0.870 -7.807 248 HA ASP 34 HA ASP 34 -6.555 1.996 -7.671 249 HB2 ASP 34 2HB ASP 34 -7.529 1.043 -9.729 250 HB3 ASP 34 3HB ASP 34 -8.696 2.356 -9.825 251 H ALA 35 H ALA 35 -9.723 3.506 -7.539 252 HA ALA 35 HA ALA 35 -9.130 6.203 -7.840 253 HB1 ALA 35 3HB ALA 35 -11.226 5.006 -6.004 254 HB2 ALA 35 1HB ALA 35 -11.426 5.340 -7.724 255 HB3 ALA 35 2HB ALA 35 -11.199 6.672 -6.590 256 H LEU 36 H LEU 36 -8.781 4.159 -4.970 257 HA LEU 36 HA LEU 36 -7.846 6.431 -3.351 258 HB2 LEU 36 2HB LEU 36 -8.653 3.610 -2.542 259 HB3 LEU 36 3HB LEU 36 -7.998 4.797 -1.426 260 HG LEU 36 HG LEU 36 -10.641 5.013 -2.914 261 HD11 LEU 36 1HD1 LEU 36 -10.635 3.405 -1.019 262 HD12 LEU 36 2HD1 LEU 36 -11.696 4.784 -0.743 263 HD13 LEU 36 3HD1 LEU 36 -10.127 4.713 0.060 264 HD21 LEU 36 3HD2 LEU 36 -9.395 6.975 -0.964 265 HD22 LEU 36 1HD2 LEU 36 -11.032 7.082 -1.625 266 HD23 LEU 36 2HD2 LEU 36 -9.637 7.234 -2.691 267 H ILE 37 H ILE 37 -6.652 3.550 -5.008 268 HA ILE 37 HA ILE 37 -3.955 4.229 -4.131 269 HB ILE 37 HB ILE 37 -4.702 2.756 -2.344 270 HG12 ILE 37 2HG1 ILE 37 -2.646 1.301 -4.072 271 HG13 ILE 37 3HG1 ILE 37 -2.299 2.705 -3.068 272 HG21 ILE 37 1HG2 ILE 37 -5.155 0.586 -4.418 273 HG22 ILE 37 2HG2 ILE 37 -6.405 1.452 -3.527 274 HG23 ILE 37 3HG2 ILE 37 -5.287 0.401 -2.665 275 HD11 ILE 37 3HD1 ILE 37 -3.222 0.007 -2.070 276 HD12 ILE 37 1HD1 ILE 37 -2.901 1.424 -1.063 277 HD13 ILE 37 2HD1 ILE 37 -1.594 0.671 -1.974 278 H CYS 38 H CYS 38 -2.724 4.237 -5.850 279 HA CYS 38 HA CYS 38 -3.143 2.379 -8.097 280 HB2 CYS 38 2HB CYS 38 -3.130 4.409 -9.647 281 HB3 CYS 38 3HB CYS 38 -4.583 4.241 -8.664 282 HG CYS 38 HG CYS 38 -4.138 6.296 -7.008 283 H TRP 39 H TRP 39 -1.326 2.167 -9.461 284 HA TRP 39 HA TRP 39 1.277 2.609 -8.329 285 HB2 TRP 39 2HB TRP 39 0.427 1.717 -11.127 286 HB3 TRP 39 3HB TRP 39 2.104 1.790 -10.601 287 HD1 TRP 39 HD1 TRP 39 -1.095 -0.294 -10.111 288 HE1 TRP 39 HE1 TRP 39 -0.434 -2.547 -9.074 289 HE3 TRP 39 HE3 TRP 39 3.845 0.638 -9.174 290 HZ2 TRP 39 HZ2 TRP 39 1.862 -3.791 -8.035 291 HZ3 TRP 39 HZ3 TRP 39 5.210 -1.148 -8.173 292 HH2 TRP 39 HH2 TRP 39 4.237 -3.314 -7.613 293 H SER 40 H SER 40 2.880 4.068 -8.992 294 HA SER 40 HA SER 40 2.235 6.461 -10.421 295 HB2 SER 40 2HB SER 40 4.723 6.847 -10.286 296 HB3 SER 40 3HB SER 40 3.991 6.485 -8.725 297 HG SER 40 HG SER 40 5.663 5.137 -8.725 298 HA PRO 41 HA PRO 41 2.927 5.198 -14.757 299 HB2 PRO 41 2HB PRO 41 4.827 7.552 -14.919 300 HB3 PRO 41 3HB PRO 41 3.485 7.100 -15.998 301 HG2 PRO 41 2HG PRO 41 3.175 9.085 -14.276 302 HG3 PRO 41 3HG PRO 41 1.848 7.931 -14.555 303 HD2 PRO 41 2HD PRO 41 3.745 8.111 -12.223 304 HD3 PRO 41 3HD PRO 41 2.012 7.706 -12.244 305 H SER 42 H SER 42 5.711 5.970 -12.689 306 HA SER 42 HA SER 42 7.643 4.456 -14.199 307 HB2 SER 42 2HB SER 42 7.757 5.417 -11.305 308 HB3 SER 42 3HB SER 42 9.125 4.838 -12.254 309 HG SER 42 HG SER 42 7.982 7.309 -12.198 310 H GLY 43 H GLY 43 5.564 3.847 -11.370 311 HA2 GLY 43 2HA GLY 43 4.719 1.859 -10.579 312 HA3 GLY 43 3HA GLY 43 5.655 0.991 -11.787 313 H ASN 44 H ASN 44 7.370 3.227 -9.841 314 HA ASN 44 HA ASN 44 8.715 1.119 -8.303 315 HB2 ASN 44 2HB ASN 44 9.350 4.101 -8.521 316 HB3 ASN 44 3HB ASN 44 10.378 2.865 -7.797 317 HD21 ASN 44 1HD2 ASN 44 9.960 0.863 -9.870 318 HD22 ASN 44 2HD2 ASN 44 10.795 1.426 -11.270 319 H SER 45 H SER 45 6.223 3.403 -7.952 320 HA SER 45 HA SER 45 6.158 3.160 -5.039 321 HB2 SER 45 2HB SER 45 5.770 5.627 -4.820 322 HB3 SER 45 3HB SER 45 7.386 5.257 -5.421 323 HG SER 45 HG SER 45 6.217 6.963 -6.550 324 H PHE 46 H PHE 46 4.020 4.033 -4.197 325 HA PHE 46 HA PHE 46 1.882 4.243 -6.201 326 HB2 PHE 46 2HB PHE 46 0.443 2.635 -5.004 327 HB3 PHE 46 3HB PHE 46 1.894 1.865 -5.615 328 HD1 PHE 46 HD2 PHE 46 3.706 1.165 -4.016 329 HD2 PHE 46 HD1 PHE 46 -0.052 2.646 -2.625 330 HE1 PHE 46 HE2 PHE 46 4.129 0.172 -1.803 331 HE2 PHE 46 HE1 PHE 46 0.378 1.647 -0.415 332 HZ PHE 46 HZ PHE 46 2.466 0.409 -0.003 333 H HIS 47 H HIS 47 0.049 5.352 -5.477 334 HA HIS 47 HA HIS 47 0.499 7.094 -3.126 335 HB2 HIS 47 2HB HIS 47 -1.018 7.509 -5.738 336 HB3 HIS 47 3HB HIS 47 -1.256 8.570 -4.349 337 HD1 HIS 47 HD1 HIS 47 -0.045 10.654 -4.759 338 HD2 HIS 47 HD2 HIS 47 2.117 7.389 -6.141 339 HE1 HIS 47 HE1 HIS 47 2.110 11.599 -5.613 340 HE2 HIS 47 HE2 HIS 47 3.447 9.601 -6.335 341 H VAL 48 H VAL 48 -1.127 7.345 -1.641 342 HA VAL 48 HA VAL 48 -3.520 5.618 -1.833 343 HB VAL 48 HB VAL 48 -1.986 6.167 0.768 344 HG11 VAL 48 1HG1 VAL 48 -3.442 4.438 1.727 345 HG12 VAL 48 2HG1 VAL 48 -4.269 4.241 0.179 346 HG13 VAL 48 3HG1 VAL 48 -4.390 5.766 1.063 347 HG21 VAL 48 3HG2 VAL 48 -1.216 3.827 0.707 348 HG22 VAL 48 1HG2 VAL 48 -0.608 4.730 -0.680 349 HG23 VAL 48 2HG2 VAL 48 -1.952 3.606 -0.883 350 H PHE 49 H PHE 49 -5.350 6.699 -1.486 351 HA PHE 49 HA PHE 49 -5.258 9.563 -0.769 352 HB2 PHE 49 2HB PHE 49 -7.117 8.049 -2.663 353 HB3 PHE 49 3HB PHE 49 -7.469 9.673 -2.084 354 HD1 PHE 49 HD1 PHE 49 -5.219 7.655 -4.231 355 HD2 PHE 49 HD2 PHE 49 -6.340 11.598 -3.006 356 HE1 PHE 49 HE1 PHE 49 -3.953 8.609 -6.122 357 HE2 PHE 49 HE2 PHE 49 -5.073 12.541 -4.896 358 HZ PHE 49 HZ PHE 49 -3.881 11.050 -6.450 359 H ASP 50 H ASP 50 -6.715 10.308 0.703 360 HA ASP 50 HA ASP 50 -8.091 10.327 2.501 361 HB2 ASP 50 2HB ASP 50 -9.706 8.631 0.547 362 HB3 ASP 50 3HB ASP 50 -10.357 9.249 2.056 363 H GLN 51 H GLN 51 -6.490 9.128 3.741 364 HA GLN 51 HA GLN 51 -6.395 6.416 4.196 365 HB2 GLN 51 2HB GLN 51 -6.018 8.442 6.425 366 HB3 GLN 51 3HB GLN 51 -5.344 6.826 6.327 367 HG2 GLN 51 2HG GLN 51 -4.575 9.178 4.598 368 HG3 GLN 51 3HG GLN 51 -3.651 8.512 5.934 369 HE21 GLN 51 1HE2 GLN 51 -1.827 8.042 4.758 370 HE22 GLN 51 2HE2 GLN 51 -1.770 6.854 3.506 371 H GLY 52 H GLY 52 -8.758 8.693 5.437 372 HA2 GLY 52 2HA GLY 52 -10.063 7.065 7.358 373 HA3 GLY 52 3HA GLY 52 -10.766 8.422 6.480 374 H GLN 53 H GLN 53 -10.797 7.638 3.862 375 HA GLN 53 HA GLN 53 -13.095 5.917 3.839 376 HB2 GLN 53 2HB GLN 53 -12.807 7.815 2.238 377 HB3 GLN 53 3HB GLN 53 -11.466 6.965 1.478 378 HG2 GLN 53 2HG GLN 53 -13.454 6.695 0.115 379 HG3 GLN 53 3HG GLN 53 -13.025 5.135 0.818 380 HE21 GLN 53 1HE2 GLN 53 -15.078 4.235 0.760 381 HE22 GLN 53 2HE2 GLN 53 -16.416 4.834 1.670 382 H PHE 54 H PHE 54 -9.790 5.609 2.621 383 HA PHE 54 HA PHE 54 -9.743 3.070 1.551 384 HB2 PHE 54 2HB PHE 54 -7.919 4.754 1.373 385 HB3 PHE 54 3HB PHE 54 -7.556 4.569 3.082 386 HD1 PHE 54 HD1 PHE 54 -6.365 2.563 3.889 387 HD2 PHE 54 HD2 PHE 54 -7.138 3.123 -0.275 388 HE1 PHE 54 HE1 PHE 54 -4.692 0.849 3.348 389 HE2 PHE 54 HE2 PHE 54 -5.461 1.402 -0.805 390 HZ PHE 54 HZ PHE 54 -4.241 0.259 0.997 391 H ALA 55 H ALA 55 -8.960 4.012 4.901 392 HA ALA 55 HA ALA 55 -8.561 1.471 5.963 393 HB1 ALA 55 3HB ALA 55 -8.893 2.511 8.146 394 HB2 ALA 55 1HB ALA 55 -9.680 3.898 7.390 395 HB3 ALA 55 2HB ALA 55 -7.971 3.581 7.093 396 H LYS 56 H LYS 56 -11.544 3.218 5.416 397 HA LYS 56 HA LYS 56 -13.254 1.614 7.060 398 HB2 LYS 56 2HB LYS 56 -13.938 3.838 6.762 399 HB3 LYS 56 3HB LYS 56 -13.653 3.836 5.031 400 HG2 LYS 56 2HG LYS 56 -15.798 2.011 6.024 401 HG3 LYS 56 3HG LYS 56 -16.127 3.738 6.141 402 HD2 LYS 56 2HD LYS 56 -15.822 4.011 3.734 403 HD3 LYS 56 3HD LYS 56 -15.279 2.337 3.568 404 HE2 LYS 56 2HE LYS 56 -17.594 2.565 2.819 405 HE3 LYS 56 3HE LYS 56 -17.533 1.558 4.265 406 HZ1 LYS 56 3HZ LYS 56 -19.344 3.187 4.316 407 HZ2 LYS 56 1HZ LYS 56 -18.223 4.451 4.240 408 HZ3 LYS 56 2HZ LYS 56 -18.253 3.426 5.579 409 H GLU 57 H GLU 57 -12.656 1.680 3.505 410 HA GLU 57 HA GLU 57 -14.513 -0.604 3.176 411 HB2 GLU 57 2HB GLU 57 -14.466 -0.043 0.728 412 HB3 GLU 57 3HB GLU 57 -15.094 1.244 1.746 413 HG2 GLU 57 2HG GLU 57 -13.165 2.567 1.484 414 HG3 GLU 57 3HG GLU 57 -12.215 1.242 0.844 415 H VAL 58 H VAL 58 -11.152 0.296 2.516 416 HA VAL 58 HA VAL 58 -10.697 -1.932 0.721 417 HB VAL 58 HB VAL 58 -8.868 0.258 1.814 418 HG11 VAL 58 1HG1 VAL 58 -7.175 -0.518 0.177 419 HG12 VAL 58 2HG1 VAL 58 -8.161 -1.943 -0.156 420 HG13 VAL 58 3HG1 VAL 58 -7.481 -1.692 1.453 421 HG21 VAL 58 3HG2 VAL 58 -10.038 -0.175 -0.968 422 HG22 VAL 58 1HG2 VAL 58 -8.916 1.109 -0.515 423 HG23 VAL 58 2HG2 VAL 58 -10.528 1.058 0.197 424 H LEU 59 H LEU 59 -9.620 -0.945 3.990 425 HA LEU 59 HA LEU 59 -7.776 -3.067 4.282 426 HB2 LEU 59 2HB LEU 59 -9.003 -1.243 6.372 427 HB3 LEU 59 3HB LEU 59 -7.760 -2.432 6.733 428 HG LEU 59 HG LEU 59 -7.485 0.048 4.996 429 HD11 LEU 59 1HD1 LEU 59 -6.065 -0.824 7.533 430 HD12 LEU 59 2HD1 LEU 59 -7.302 0.428 7.395 431 HD13 LEU 59 3HD1 LEU 59 -5.741 0.649 6.614 432 HD21 LEU 59 3HD2 LEU 59 -6.313 -1.740 3.832 433 HD22 LEU 59 1HD2 LEU 59 -5.470 -2.205 5.311 434 HD23 LEU 59 2HD2 LEU 59 -5.150 -0.639 4.561 435 HA PRO 60 HA PRO 60 -11.186 -5.530 6.815 436 HB2 PRO 60 2HB PRO 60 -13.834 -4.947 6.205 437 HB3 PRO 60 3HB PRO 60 -12.970 -4.272 7.599 438 HG2 PRO 60 2HG PRO 60 -13.490 -3.031 4.936 439 HG3 PRO 60 3HG PRO 60 -13.607 -2.307 6.551 440 HD2 PRO 60 2HD PRO 60 -11.483 -1.861 4.940 441 HD3 PRO 60 3HD PRO 60 -11.303 -1.973 6.707 442 H LYS 61 H LYS 61 -11.335 -4.476 3.536 443 HA LYS 61 HA LYS 61 -12.709 -6.760 2.427 444 HB2 LYS 61 2HB LYS 61 -12.830 -4.514 1.428 445 HB3 LYS 61 3HB LYS 61 -11.099 -4.522 1.119 446 HG2 LYS 61 2HG LYS 61 -11.388 -6.366 -0.489 447 HG3 LYS 61 3HG LYS 61 -13.130 -6.381 -0.174 448 HD2 LYS 61 2HD LYS 61 -13.312 -4.060 -1.016 449 HD3 LYS 61 3HD LYS 61 -11.566 -4.014 -1.284 450 HE2 LYS 61 2HE LYS 61 -11.834 -5.904 -2.931 451 HE3 LYS 61 3HE LYS 61 -13.585 -5.760 -2.729 452 HZ1 LYS 61 3HZ LYS 61 -13.310 -3.362 -3.405 453 HZ2 LYS 61 1HZ LYS 61 -13.005 -4.504 -4.621 454 HZ3 LYS 61 2HZ LYS 61 -11.720 -3.743 -3.841 455 H TYR 62 H TYR 62 -9.317 -5.585 2.023 456 HA TYR 62 HA TYR 62 -8.467 -8.180 0.958 457 HB2 TYR 62 2HB TYR 62 -6.936 -5.571 1.358 458 HB3 TYR 62 3HB TYR 62 -6.229 -7.033 0.672 459 HD1 TYR 62 HD2 TYR 62 -8.749 -4.374 0.110 460 HD2 TYR 62 HD1 TYR 62 -6.672 -7.678 -1.640 461 HE1 TYR 62 HE2 TYR 62 -9.613 -3.756 -2.100 462 HE2 TYR 62 HE1 TYR 62 -7.559 -7.049 -3.852 463 HH TYR 62 HH TYR 62 -9.417 -5.810 -4.799 464 H PHE 63 H PHE 63 -8.345 -6.482 3.957 465 HA PHE 63 HA PHE 63 -6.651 -8.579 5.189 466 HB2 PHE 63 2HB PHE 63 -6.841 -5.651 6.087 467 HB3 PHE 63 3HB PHE 63 -5.713 -6.868 6.675 468 HD1 PHE 63 HD2 PHE 63 -3.987 -7.812 4.966 469 HD2 PHE 63 HD1 PHE 63 -6.224 -4.237 4.274 470 HE1 PHE 63 HE2 PHE 63 -2.391 -7.140 3.216 471 HE2 PHE 63 HE1 PHE 63 -4.622 -3.580 2.521 472 HZ PHE 63 HZ PHE 63 -2.707 -5.034 1.988 473 H LYS 64 H LYS 64 -7.207 -7.996 7.913 474 HA LYS 64 HA LYS 64 -10.164 -8.137 8.091 475 HB2 LYS 64 2HB LYS 64 -9.912 -9.926 9.824 476 HB3 LYS 64 3HB LYS 64 -9.363 -10.430 8.236 477 HG2 LYS 64 2HG LYS 64 -7.013 -10.043 8.944 478 HG3 LYS 64 3HG LYS 64 -7.583 -9.621 10.557 479 HD2 LYS 64 2HD LYS 64 -7.899 -12.318 9.180 480 HD3 LYS 64 3HD LYS 64 -6.787 -11.953 10.497 481 HE2 LYS 64 2HE LYS 64 -9.815 -11.879 10.676 482 HE3 LYS 64 3HE LYS 64 -8.789 -13.175 11.281 483 HZ1 LYS 64 3HZ LYS 64 -9.477 -11.657 13.035 484 HZ2 LYS 64 1HZ LYS 64 -8.731 -10.359 12.243 485 HZ3 LYS 64 2HZ LYS 64 -7.797 -11.637 12.839 486 H HIS 65 H HIS 65 -8.850 -5.835 8.392 487 HA HIS 65 HA HIS 65 -9.600 -5.023 11.049 488 HB2 HIS 65 2HB HIS 65 -7.493 -3.866 11.631 489 HB3 HIS 65 3HB HIS 65 -7.179 -5.585 11.436 490 HD1 HIS 65 HD1 HIS 65 -6.254 -2.248 10.061 491 HD2 HIS 65 HD2 HIS 65 -5.657 -6.252 9.114 492 HE1 HIS 65 HE1 HIS 65 -4.379 -2.279 8.393 493 HE2 HIS 65 HE2 HIS 65 -3.947 -4.714 7.937 494 H ASN 66 H ASN 66 -9.822 -2.658 11.132 495 HA ASN 66 HA ASN 66 -10.027 -1.420 8.429 496 HB2 ASN 66 2HB ASN 66 -11.603 -0.595 10.925 497 HB3 ASN 66 3HB ASN 66 -11.714 0.128 9.318 498 HD21 ASN 66 1HD2 ASN 66 -13.863 -0.281 9.040 499 HD22 ASN 66 2HD2 ASN 66 -14.531 -1.860 8.850 500 H ASN 67 H ASN 67 -8.397 -1.366 11.414 501 HA ASN 67 HA ASN 67 -7.857 1.397 11.727 502 HB2 ASN 67 2HB ASN 67 -7.647 -0.251 13.572 503 HB3 ASN 67 3HB ASN 67 -6.282 -1.002 12.755 504 HD21 ASN 67 1HD2 ASN 67 -7.372 1.975 14.301 505 HD22 ASN 67 2HD2 ASN 67 -5.804 2.541 14.754 506 H MET 68 H MET 68 -6.727 2.651 10.424 507 HA MET 68 HA MET 68 -5.036 1.670 8.314 508 HB2 MET 68 2HB MET 68 -6.470 3.697 8.042 509 HB3 MET 68 3HB MET 68 -5.471 4.560 9.206 510 HG2 MET 68 2HG MET 68 -4.954 5.133 6.868 511 HG3 MET 68 3HG MET 68 -3.569 4.396 7.686 512 HE1 MET 68 3HE MET 68 -2.545 4.045 5.212 513 HE2 MET 68 1HE MET 68 -4.019 4.678 4.477 514 HE3 MET 68 2HE MET 68 -3.365 3.128 3.949 515 H ALA 69 H ALA 69 -4.481 3.179 11.444 516 HA ALA 69 HA ALA 69 -1.773 3.769 11.328 517 HB1 ALA 69 3HB ALA 69 -3.324 2.698 13.705 518 HB2 ALA 69 1HB ALA 69 -3.203 4.388 13.217 519 HB3 ALA 69 2HB ALA 69 -1.769 3.533 13.786 520 H SER 70 H SER 70 -3.377 0.685 11.859 521 HA SER 70 HA SER 70 -1.144 -0.939 12.487 522 HB2 SER 70 2HB SER 70 -3.432 -1.671 12.942 523 HB3 SER 70 3HB SER 70 -3.829 -1.652 11.223 524 HG SER 70 HG SER 70 -2.153 -3.423 12.661 525 H PHE 71 H PHE 71 -2.761 -0.145 9.407 526 HA PHE 71 HA PHE 71 -1.405 -1.977 7.719 527 HB2 PHE 71 2HB PHE 71 -3.525 -1.006 7.008 528 HB3 PHE 71 3HB PHE 71 -2.895 0.629 7.124 529 HD1 PHE 71 HD1 PHE 71 -2.834 -2.496 5.104 530 HD2 PHE 71 HD2 PHE 71 -1.642 1.604 5.276 531 HE1 PHE 71 HE1 PHE 71 -2.232 -2.564 2.718 532 HE2 PHE 71 HE2 PHE 71 -1.037 1.525 2.884 533 HZ PHE 71 HZ PHE 71 -1.325 -0.563 1.613 534 H VAL 72 H VAL 72 -0.966 1.543 8.192 535 HA VAL 72 HA VAL 72 1.331 1.865 6.601 536 HB VAL 72 HB VAL 72 0.440 3.549 8.989 537 HG11 VAL 72 1HG1 VAL 72 2.307 4.298 6.707 538 HG12 VAL 72 2HG1 VAL 72 2.770 4.029 8.389 539 HG13 VAL 72 3HG1 VAL 72 1.727 5.385 7.972 540 HG21 VAL 72 3HG2 VAL 72 -0.685 4.992 7.331 541 HG22 VAL 72 1HG2 VAL 72 -1.336 3.355 7.300 542 HG23 VAL 72 2HG2 VAL 72 -0.226 3.885 6.034 543 H ARG 73 H ARG 73 0.959 1.075 10.054 544 HA ARG 73 HA ARG 73 3.637 1.242 10.888 545 HB2 ARG 73 2HB ARG 73 1.756 0.976 12.463 546 HB3 ARG 73 3HB ARG 73 1.449 -0.650 11.863 547 HG2 ARG 73 2HG ARG 73 3.739 -1.307 12.699 548 HG3 ARG 73 3HG ARG 73 3.880 0.304 13.405 549 HD2 ARG 73 2HD ARG 73 1.908 -0.117 14.807 550 HD3 ARG 73 3HD ARG 73 1.727 -1.718 14.088 551 HE ARG 73 HE ARG 73 4.055 -0.887 15.709 552 HH11 ARG 73 1HH1 ARG 73 1.667 -3.329 14.851 553 HH12 ARG 73 2HH1 ARG 73 2.311 -4.503 15.954 554 HH21 ARG 73 1HH2 ARG 73 4.860 -2.421 17.157 555 HH22 ARG 73 2HH2 ARG 73 4.102 -3.982 17.254 556 H GLN 74 H GLN 74 1.856 -1.410 9.323 557 HA GLN 74 HA GLN 74 3.833 -3.417 9.485 558 HB2 GLN 74 2HB GLN 74 1.843 -3.029 7.200 559 HB3 GLN 74 3HB GLN 74 2.729 -4.507 7.560 560 HG2 GLN 74 2HG GLN 74 0.574 -3.240 9.260 561 HG3 GLN 74 3HG GLN 74 0.417 -4.691 8.285 562 HE21 GLN 74 1HE2 GLN 74 0.033 -4.216 11.184 563 HE22 GLN 74 2HE2 GLN 74 1.038 -5.381 11.974 564 H LEU 75 H LEU 75 3.181 -0.940 6.985 565 HA LEU 75 HA LEU 75 5.268 -1.608 5.209 566 HB2 LEU 75 2HB LEU 75 3.782 1.022 5.614 567 HB3 LEU 75 3HB LEU 75 4.856 0.704 4.259 568 HG LEU 75 HG LEU 75 2.320 -0.877 4.838 569 HD11 LEU 75 1HD1 LEU 75 2.770 1.297 2.773 570 HD12 LEU 75 2HD1 LEU 75 1.776 1.427 4.224 571 HD13 LEU 75 3HD1 LEU 75 1.315 0.308 2.946 572 HD21 LEU 75 3HD2 LEU 75 4.168 -0.930 2.429 573 HD22 LEU 75 1HD2 LEU 75 2.619 -1.777 2.557 574 HD23 LEU 75 2HD2 LEU 75 3.954 -2.214 3.621 575 H ASN 76 H ASN 76 5.129 0.668 7.921 576 HA ASN 76 HA ASN 76 7.687 1.773 7.762 577 HB2 ASN 76 2HB ASN 76 5.984 1.162 10.228 578 HB3 ASN 76 3HB ASN 76 7.453 2.134 10.273 579 HD21 ASN 76 1HD2 ASN 76 4.618 2.806 10.856 580 HD22 ASN 76 2HD2 ASN 76 4.264 4.179 9.873 581 H MET 77 H MET 77 6.601 -1.239 9.283 582 HA MET 77 HA MET 77 9.225 -2.047 10.178 583 HB2 MET 77 2HB MET 77 6.611 -3.606 9.985 584 HB3 MET 77 3HB MET 77 8.092 -4.251 10.681 585 HG2 MET 77 2HG MET 77 8.037 -2.462 12.401 586 HG3 MET 77 3HG MET 77 6.514 -1.887 11.721 587 HE1 MET 77 3HE MET 77 4.113 -4.937 12.475 588 HE2 MET 77 1HE MET 77 5.017 -4.639 10.987 589 HE3 MET 77 2HE MET 77 4.213 -3.305 11.818 590 H TYR 78 H TYR 78 7.412 -2.330 7.231 591 HA TYR 78 HA TYR 78 9.119 -4.367 6.042 592 HB2 TYR 78 2HB TYR 78 6.817 -2.690 5.002 593 HB3 TYR 78 3HB TYR 78 7.825 -3.594 3.885 594 HD1 TYR 78 HD1 TYR 78 8.227 -6.180 4.867 595 HD2 TYR 78 HD2 TYR 78 4.756 -3.762 5.428 596 HE1 TYR 78 HE1 TYR 78 6.865 -8.204 5.141 597 HE2 TYR 78 HE2 TYR 78 3.399 -5.789 5.719 598 HH TYR 78 HH TYR 78 3.482 -8.172 5.073 599 H GLY 79 H GLY 79 9.545 -1.143 6.743 600 HA2 GLY 79 2HA GLY 79 11.406 0.164 6.389 601 HA3 GLY 79 3HA GLY 79 12.012 -1.033 5.259 602 H PHE 80 H PHE 80 8.818 0.176 4.638 603 HA PHE 80 HA PHE 80 9.513 1.338 2.119 604 HB2 PHE 80 2HB PHE 80 6.938 1.236 3.730 605 HB3 PHE 80 3HB PHE 80 7.042 2.284 2.323 606 HD1 PHE 80 HD1 PHE 80 7.674 -1.308 3.274 607 HD2 PHE 80 HD2 PHE 80 6.366 1.419 0.248 608 HE1 PHE 80 HE1 PHE 80 7.075 -3.200 1.810 609 HE2 PHE 80 HE2 PHE 80 5.768 -0.480 -1.202 610 HZ PHE 80 HZ PHE 80 6.125 -2.787 -0.424 611 H ARG 81 H ARG 81 9.263 3.573 1.483 612 HA ARG 81 HA ARG 81 10.124 5.454 3.569 613 HB2 ARG 81 2HB ARG 81 11.537 5.121 1.535 614 HB3 ARG 81 3HB ARG 81 10.207 5.666 0.522 615 HG2 ARG 81 2HG ARG 81 10.316 7.893 1.662 616 HG3 ARG 81 3HG ARG 81 11.715 7.323 2.573 617 HD2 ARG 81 2HD ARG 81 11.506 7.739 -0.425 618 HD3 ARG 81 3HD ARG 81 12.543 8.600 0.718 619 HE ARG 81 HE ARG 81 13.561 6.257 1.071 620 HH11 ARG 81 1HH1 ARG 81 12.453 7.468 -2.056 621 HH12 ARG 81 2HH1 ARG 81 13.555 6.471 -2.953 622 HH21 ARG 81 1HH2 ARG 81 14.943 4.919 -0.133 623 HH22 ARG 81 2HH2 ARG 81 14.960 5.029 -1.864 624 H LYS 82 H LYS 82 8.686 6.842 4.342 625 HA LYS 82 HA LYS 82 6.044 7.234 3.286 626 HB2 LYS 82 2HB LYS 82 6.304 7.164 5.692 627 HB3 LYS 82 3HB LYS 82 7.644 8.301 5.659 628 HG2 LYS 82 2HG LYS 82 5.663 9.349 6.606 629 HG3 LYS 82 3HG LYS 82 6.099 10.125 5.084 630 HD2 LYS 82 2HD LYS 82 4.312 8.865 3.926 631 HD3 LYS 82 3HD LYS 82 3.876 8.079 5.447 632 HE2 LYS 82 2HE LYS 82 3.731 11.061 4.901 633 HE3 LYS 82 3HE LYS 82 2.366 9.947 4.903 634 HZ1 LYS 82 3HZ LYS 82 2.515 11.144 6.976 635 HZ2 LYS 82 1HZ LYS 82 4.083 10.580 7.239 636 HZ3 LYS 82 2HZ LYS 82 2.788 9.500 7.238 637 H VAL 83 H VAL 83 5.593 8.701 1.682 638 HA VAL 83 HA VAL 83 6.994 11.312 1.706 639 HB VAL 83 HB VAL 83 5.857 9.883 -0.765 640 HG11 VAL 83 1HG1 VAL 83 6.958 11.667 -2.062 641 HG12 VAL 83 2HG1 VAL 83 7.467 12.458 -0.567 642 HG13 VAL 83 3HG1 VAL 83 5.750 12.317 -0.955 643 HG21 VAL 83 3HG2 VAL 83 8.784 10.230 0.003 644 HG22 VAL 83 1HG2 VAL 83 8.184 9.545 -1.512 645 HG23 VAL 83 2HG2 VAL 83 7.877 8.718 0.014 646 H VAL 84 H VAL 84 5.546 12.721 2.571 647 HA VAL 84 HA VAL 84 2.644 12.310 2.316 648 HB VAL 84 HB VAL 84 3.410 12.777 4.584 649 HG11 VAL 84 1HG1 VAL 84 4.567 15.398 3.599 650 HG12 VAL 84 2HG1 VAL 84 5.481 13.984 4.121 651 HG13 VAL 84 3HG1 VAL 84 4.486 14.862 5.282 652 HG21 VAL 84 3HG2 VAL 84 1.201 13.655 3.986 653 HG22 VAL 84 1HG2 VAL 84 1.918 15.188 3.485 654 HG23 VAL 84 2HG2 VAL 84 1.978 14.693 5.178 655 H HIS 85 H HIS 85 1.462 13.409 0.855 656 HA HIS 85 HA HIS 85 2.721 15.637 -0.647 657 HB2 HIS 85 2HB HIS 85 0.661 13.587 -1.523 658 HB3 HIS 85 3HB HIS 85 1.075 15.006 -2.482 659 HD1 HIS 85 HD1 HIS 85 3.255 14.943 -3.802 660 HD2 HIS 85 HD2 HIS 85 2.716 11.581 -1.407 661 HE1 HIS 85 HE1 HIS 85 4.986 13.291 -4.555 662 HE2 HIS 85 HE2 HIS 85 4.726 11.320 -3.032 663 H ILE 86 H ILE 86 -0.084 14.783 1.299 664 HA ILE 86 HA ILE 86 -1.081 17.549 0.924 665 HB ILE 86 HB ILE 86 -2.868 15.226 1.821 666 HG12 ILE 86 2HG1 ILE 86 -2.175 14.840 -0.546 667 HG13 ILE 86 3HG1 ILE 86 -3.893 15.175 -0.397 668 HG21 ILE 86 1HG2 ILE 86 -4.703 16.828 1.354 669 HG22 ILE 86 2HG2 ILE 86 -3.530 18.077 0.933 670 HG23 ILE 86 3HG2 ILE 86 -3.600 17.443 2.581 671 HD11 ILE 86 3HD1 ILE 86 -2.963 16.244 -2.351 672 HD12 ILE 86 1HD1 ILE 86 -1.777 17.095 -1.359 673 HD13 ILE 86 2HD1 ILE 86 -3.496 17.463 -1.194 674 H GLU 87 H GLU 87 -0.022 18.507 2.601 675 HA GLU 87 HA GLU 87 -0.116 17.511 5.315 676 HB2 GLU 87 2HB GLU 87 0.605 20.269 4.224 677 HB3 GLU 87 3HB GLU 87 0.819 19.754 5.894 678 HG2 GLU 87 2HG GLU 87 2.442 18.059 5.206 679 HG3 GLU 87 3HG GLU 87 2.184 18.479 3.516 680 H GLN 88 H GLN 88 -1.753 17.777 6.716 681 HA GLN 88 HA GLN 88 -4.272 18.835 5.848 682 HB2 GLN 88 2HB GLN 88 -3.401 17.805 8.577 683 HB3 GLN 88 3HB GLN 88 -5.067 18.137 8.117 684 HG2 GLN 88 2HG GLN 88 -3.265 16.047 6.869 685 HG3 GLN 88 3HG GLN 88 -4.573 15.740 8.011 686 HE21 GLN 88 1HE2 GLN 88 -4.257 14.698 5.319 687 HE22 GLN 88 2HE2 GLN 88 -5.661 15.185 4.444 688 H GLY 89 H GLY 89 -5.075 20.779 6.036 689 HA2 GLY 89 2HA GLY 89 -5.385 22.446 8.081 690 HA3 GLY 89 3HA GLY 89 -3.748 22.867 7.583 691 H GLY 90 H GLY 90 -4.614 24.958 7.225 692 HA2 GLY 90 2HA GLY 90 -6.712 25.443 5.273 693 HA3 GLY 90 3HA GLY 90 -5.832 26.642 6.202 694 H LEU 91 H LEU 91 -5.433 24.351 3.530 695 HA LEU 91 HA LEU 91 -3.541 26.183 2.159 696 HB2 LEU 91 2HB LEU 91 -3.438 23.131 2.357 697 HB3 LEU 91 3HB LEU 91 -2.387 24.085 1.322 698 HG LEU 91 HG LEU 91 -2.457 24.253 4.364 699 HD11 LEU 91 1HD1 LEU 91 -0.370 22.949 2.587 700 HD12 LEU 91 2HD1 LEU 91 -1.515 22.112 3.636 701 HD13 LEU 91 3HD1 LEU 91 -0.270 23.138 4.341 702 HD21 LEU 91 3HD2 LEU 91 -1.811 26.386 3.380 703 HD22 LEU 91 1HD2 LEU 91 -0.581 25.593 2.392 704 HD23 LEU 91 2HD2 LEU 91 -0.418 25.633 4.151 705 H VAL 92 H VAL 92 -3.331 25.092 -0.274 706 HA VAL 92 HA VAL 92 -5.955 25.516 -1.460 707 HB VAL 92 HB VAL 92 -3.813 26.595 -2.301 708 HG11 VAL 92 1HG1 VAL 92 -2.326 25.384 -3.816 709 HG12 VAL 92 2HG1 VAL 92 -3.194 23.880 -3.492 710 HG13 VAL 92 3HG1 VAL 92 -2.304 24.683 -2.198 711 HG21 VAL 92 3HG2 VAL 92 -4.433 26.505 -4.688 712 HG22 VAL 92 1HG2 VAL 92 -5.852 26.634 -3.654 713 HG23 VAL 92 2HG2 VAL 92 -5.435 25.081 -4.386 714 H LYS 93 H LYS 93 -5.638 23.089 0.029 715 HA LYS 93 HA LYS 93 -6.043 20.959 -1.957 716 HB2 LYS 93 2HB LYS 93 -4.443 20.634 0.635 717 HB3 LYS 93 3HB LYS 93 -4.719 19.399 -0.589 718 HG2 LYS 93 2HG LYS 93 -3.311 20.603 -2.174 719 HG3 LYS 93 3HG LYS 93 -3.101 21.925 -1.029 720 HD2 LYS 93 2HD LYS 93 -2.222 19.080 -0.405 721 HD3 LYS 93 3HD LYS 93 -1.170 20.235 -1.206 722 HE2 LYS 93 2HE LYS 93 -0.656 20.151 1.161 723 HE3 LYS 93 3HE LYS 93 -1.334 21.730 0.768 724 HZ1 LYS 93 3HZ LYS 93 -2.216 20.846 2.834 725 HZ2 LYS 93 1HZ LYS 93 -2.800 19.477 2.037 726 HZ3 LYS 93 2HZ LYS 93 -3.448 20.998 1.688 727 HA PRO 94 HA PRO 94 -9.526 20.094 0.890 728 HB2 PRO 94 2HB PRO 94 -10.106 17.538 0.100 729 HB3 PRO 94 3HB PRO 94 -10.538 18.955 -0.872 730 HG2 PRO 94 2HG PRO 94 -8.204 17.110 -1.198 731 HG3 PRO 94 3HG PRO 94 -9.302 17.766 -2.433 732 HD2 PRO 94 2HD PRO 94 -6.846 18.831 -1.988 733 HD3 PRO 94 3HD PRO 94 -8.231 19.825 -2.494 734 H GLU 95 H GLU 95 -10.091 18.220 2.456 735 HA GLU 95 HA GLU 95 -7.772 17.776 4.148 736 HB2 GLU 95 2HB GLU 95 -9.420 16.956 5.810 737 HB3 GLU 95 3HB GLU 95 -9.827 18.544 5.173 738 HG2 GLU 95 2HG GLU 95 -11.504 17.490 3.664 739 HG3 GLU 95 3HG GLU 95 -11.095 15.923 4.349 740 H ARG 96 H ARG 96 -8.556 16.111 1.565 741 HA ARG 96 HA ARG 96 -8.400 13.390 2.312 742 HB2 ARG 96 2HB ARG 96 -7.769 12.937 0.032 743 HB3 ARG 96 3HB ARG 96 -8.921 14.262 -0.031 744 HG2 ARG 96 2HG ARG 96 -7.075 15.869 -0.377 745 HG3 ARG 96 3HG ARG 96 -5.901 14.561 -0.250 746 HD2 ARG 96 2HD ARG 96 -6.914 13.520 -2.303 747 HD3 ARG 96 3HD ARG 96 -7.972 14.933 -2.442 748 HE ARG 96 HE ARG 96 -5.079 15.387 -2.343 749 HH11 ARG 96 1HH1 ARG 96 -7.980 15.271 -4.364 750 HH12 ARG 96 2HH1 ARG 96 -7.222 16.139 -5.662 751 HH21 ARG 96 1HH2 ARG 96 -4.131 16.495 -4.064 752 HH22 ARG 96 2HH2 ARG 96 -5.060 16.825 -5.493 753 H ASP 97 H ASP 97 -6.550 12.046 2.472 754 HA ASP 97 HA ASP 97 -3.900 13.389 2.648 755 HB2 ASP 97 2HB ASP 97 -4.882 10.702 3.689 756 HB3 ASP 97 3HB ASP 97 -3.159 11.047 3.519 757 H ASP 98 H ASP 98 -2.276 12.850 1.272 758 HA ASP 98 HA ASP 98 -2.643 10.576 -0.574 759 HB2 ASP 98 2HB ASP 98 -2.919 12.689 -1.875 760 HB3 ASP 98 3HB ASP 98 -1.335 13.228 -1.324 761 H THR 99 H THR 99 -1.213 9.143 0.012 762 HA THR 99 HA THR 99 1.412 9.944 1.104 763 HB THR 99 HB THR 99 -0.317 7.580 1.984 764 HG1 THR 99 HG1 THR 99 -0.920 9.870 2.589 765 HG21 THR 99 3HG2 THR 99 2.099 7.142 2.224 766 HG22 THR 99 1HG2 THR 99 1.358 7.378 3.803 767 HG23 THR 99 2HG2 THR 99 2.307 8.676 3.076 768 H GLU 100 H GLU 100 2.980 9.261 -0.130 769 HA GLU 100 HA GLU 100 2.597 7.088 -2.069 770 HB2 GLU 100 2HB GLU 100 3.174 9.214 -3.094 771 HB3 GLU 100 3HB GLU 100 4.539 9.438 -2.006 772 HG2 GLU 100 2HG GLU 100 5.679 7.519 -3.039 773 HG3 GLU 100 3HG GLU 100 4.297 7.263 -4.106 774 H PHE 101 H PHE 101 3.266 5.228 -1.195 775 HA PHE 101 HA PHE 101 5.719 5.091 0.435 776 HB2 PHE 101 2HB PHE 101 3.633 2.955 -0.218 777 HB3 PHE 101 3HB PHE 101 5.051 2.695 0.784 778 HD1 PHE 101 HD1 PHE 101 5.263 4.019 2.966 779 HD2 PHE 101 HD2 PHE 101 1.613 3.773 0.745 780 HE1 PHE 101 HE1 PHE 101 3.988 4.636 4.978 781 HE2 PHE 101 HE2 PHE 101 0.347 4.393 2.765 782 HZ PHE 101 HZ PHE 101 1.535 4.824 4.880 783 H GLN 102 H GLN 102 7.544 4.329 -0.367 784 HA GLN 102 HA GLN 102 7.615 2.781 -2.880 785 HB2 GLN 102 2HB GLN 102 9.523 4.176 -3.683 786 HB3 GLN 102 3HB GLN 102 8.018 5.076 -3.573 787 HG2 GLN 102 2HG GLN 102 8.790 6.070 -1.426 788 HG3 GLN 102 3HG GLN 102 10.319 5.211 -1.597 789 HE21 GLN 102 1HE2 GLN 102 9.870 8.068 -1.422 790 HE22 GLN 102 2HE2 GLN 102 10.503 8.758 -2.872 791 H HIS 103 H HIS 103 9.354 1.366 -3.000 792 HA HIS 103 HA HIS 103 11.306 1.188 -0.818 793 HB2 HIS 103 2HB HIS 103 9.186 -0.048 -0.099 794 HB3 HIS 103 3HB HIS 103 9.427 -1.149 -1.446 795 HD1 HIS 103 HD1 HIS 103 10.959 -3.130 -0.995 796 HD2 HIS 103 HD2 HIS 103 11.232 -0.154 1.889 797 HE1 HIS 103 HE1 HIS 103 12.472 -4.043 0.803 798 HE2 HIS 103 HE2 HIS 103 12.708 -2.186 2.459 799 HA PRO 104 HA PRO 104 13.801 0.090 -4.415 800 HB2 PRO 104 2HB PRO 104 15.831 -1.360 -3.156 801 HB3 PRO 104 3HB PRO 104 15.744 0.410 -3.204 802 HG2 PRO 104 2HG PRO 104 14.870 -1.451 -1.021 803 HG3 PRO 104 3HG PRO 104 15.777 0.076 -0.905 804 HD2 PRO 104 2HD PRO 104 13.164 0.003 -0.355 805 HD3 PRO 104 3HD PRO 104 13.862 1.388 -1.230 806 H CYS 105 H CYS 105 12.922 -2.478 -2.129 807 HA CYS 105 HA CYS 105 13.195 -4.598 -4.137 808 HB2 CYS 105 2HB CYS 105 12.215 -4.877 -1.268 809 HB3 CYS 105 3HB CYS 105 12.839 -6.148 -2.317 810 HG CYS 105 HG CYS 105 15.399 -5.731 -1.901 811 H PHE 106 H PHE 106 10.985 -2.336 -3.929 812 HA PHE 106 HA PHE 106 8.729 -4.115 -4.630 813 HB2 PHE 106 2HB PHE 106 8.292 -2.816 -2.526 814 HB3 PHE 106 3HB PHE 106 8.589 -1.315 -3.384 815 HD1 PHE 106 HD1 PHE 106 6.207 -4.069 -2.838 816 HD2 PHE 106 HD2 PHE 106 6.884 -0.397 -4.918 817 HE1 PHE 106 HE1 PHE 106 3.818 -3.950 -3.405 818 HE2 PHE 106 HE2 PHE 106 4.488 -0.282 -5.482 819 HZ PHE 106 HZ PHE 106 2.957 -2.060 -4.728 820 H LEU 107 H LEU 107 9.116 -4.176 -6.801 821 HA LEU 107 HA LEU 107 8.917 -1.654 -8.350 822 HB2 LEU 107 2HB LEU 107 10.632 -4.093 -9.017 823 HB3 LEU 107 3HB LEU 107 10.431 -2.696 -10.053 824 HG LEU 107 HG LEU 107 11.832 -2.710 -7.356 825 HD11 LEU 107 1HD1 LEU 107 12.986 -2.524 -10.162 826 HD12 LEU 107 2HD1 LEU 107 13.106 -3.904 -9.068 827 HD13 LEU 107 3HD1 LEU 107 13.901 -2.389 -8.655 828 HD21 LEU 107 3HD2 LEU 107 11.501 -0.435 -9.344 829 HD22 LEU 107 1HD2 LEU 107 12.540 -0.402 -7.915 830 HD23 LEU 107 2HD2 LEU 107 10.795 -0.538 -7.731 831 H ARG 108 H ARG 108 7.814 -1.897 -10.385 832 HA ARG 108 HA ARG 108 5.527 -3.535 -10.338 833 HB2 ARG 108 2HB ARG 108 5.035 -2.551 -12.572 834 HB3 ARG 108 3HB ARG 108 5.523 -1.329 -11.406 835 HG2 ARG 108 2HG ARG 108 7.808 -1.330 -12.397 836 HG3 ARG 108 3HG ARG 108 7.260 -2.494 -13.600 837 HD2 ARG 108 2HD ARG 108 6.263 0.346 -13.244 838 HD3 ARG 108 3HD ARG 108 7.291 -0.257 -14.543 839 HE ARG 108 HE ARG 108 4.964 -1.761 -14.591 840 HH11 ARG 108 1HH1 ARG 108 5.883 1.601 -15.108 841 HH12 ARG 108 2HH1 ARG 108 4.589 1.912 -16.224 842 HH21 ARG 108 1HH2 ARG 108 3.277 -1.358 -16.016 843 HH22 ARG 108 2HH2 ARG 108 3.095 0.209 -16.743 844 H GLY 109 H GLY 109 5.462 -5.669 -10.706 845 HA2 GLY 109 2HA GLY 109 5.549 -7.591 -12.096 846 HA3 GLY 109 3HA GLY 109 6.889 -6.888 -12.983 847 H GLN 110 H GLN 110 7.759 -6.354 -9.871 848 HA GLN 110 HA GLN 110 9.329 -8.852 -9.760 849 HB2 GLN 110 2HB GLN 110 9.942 -6.060 -8.744 850 HB3 GLN 110 3HB GLN 110 10.794 -7.455 -8.093 851 HG2 GLN 110 2HG GLN 110 12.294 -6.912 -9.733 852 HG3 GLN 110 3HG GLN 110 11.237 -7.914 -10.714 853 HE21 GLN 110 1HE2 GLN 110 9.161 -5.722 -10.822 854 HE22 GLN 110 2HE2 GLN 110 9.789 -4.591 -11.950 855 H GLU 111 H GLU 111 7.194 -9.725 -8.890 856 HA GLU 111 HA GLU 111 6.584 -9.393 -6.135 857 HB2 GLU 111 2HB GLU 111 5.409 -11.573 -6.345 858 HB3 GLU 111 3HB GLU 111 4.985 -10.445 -7.627 859 HG2 GLU 111 2HG GLU 111 6.350 -11.634 -9.234 860 HG3 GLU 111 3HG GLU 111 7.038 -12.647 -7.970 861 H GLN 112 H GLN 112 9.052 -11.208 -7.792 862 HA GLN 112 HA GLN 112 9.815 -13.030 -5.781 863 HB2 GLN 112 2HB GLN 112 11.904 -13.326 -6.995 864 HB3 GLN 112 3HB GLN 112 10.570 -13.261 -8.130 865 HG2 GLN 112 2HG GLN 112 12.111 -10.734 -7.594 866 HG3 GLN 112 3HG GLN 112 12.859 -11.990 -8.573 867 HE21 GLN 112 1HE2 GLN 112 12.885 -10.540 -10.350 868 HE22 GLN 112 2HE2 GLN 112 11.460 -10.205 -11.270 869 H LEU 113 H LEU 113 10.220 -9.622 -5.918 870 HA LEU 113 HA LEU 113 12.415 -9.591 -3.961 871 HB2 LEU 113 2HB LEU 113 10.999 -7.338 -5.425 872 HB3 LEU 113 3HB LEU 113 12.290 -7.097 -4.263 873 HG LEU 113 HG LEU 113 12.540 -8.461 -6.972 874 HD11 LEU 113 1HD1 LEU 113 12.376 -6.010 -7.111 875 HD12 LEU 113 2HD1 LEU 113 13.989 -6.555 -7.553 876 HD13 LEU 113 3HD1 LEU 113 13.710 -5.838 -5.965 877 HD21 LEU 113 3HD2 LEU 113 14.954 -8.651 -6.489 878 HD22 LEU 113 1HD2 LEU 113 13.985 -9.598 -5.364 879 HD23 LEU 113 2HD2 LEU 113 14.674 -8.058 -4.849 880 H LEU 114 H LEU 114 8.951 -9.475 -4.022 881 HA LEU 114 HA LEU 114 8.447 -7.867 -1.720 882 HB2 LEU 114 2HB LEU 114 6.717 -10.100 -2.836 883 HB3 LEU 114 3HB LEU 114 6.197 -8.874 -1.694 884 HG LEU 114 HG LEU 114 6.931 -8.427 -4.605 885 HD11 LEU 114 1HD1 LEU 114 4.557 -7.921 -4.887 886 HD12 LEU 114 2HD1 LEU 114 4.256 -8.244 -3.181 887 HD13 LEU 114 3HD1 LEU 114 4.775 -9.547 -4.253 888 HD21 LEU 114 3HD2 LEU 114 7.645 -6.495 -3.291 889 HD22 LEU 114 1HD2 LEU 114 6.048 -6.381 -2.544 890 HD23 LEU 114 2HD2 LEU 114 6.242 -6.090 -4.274 891 H GLU 115 H GLU 115 8.913 -11.319 -2.206 892 HA GLU 115 HA GLU 115 8.555 -12.223 0.445 893 HB2 GLU 115 2HB GLU 115 9.973 -14.179 -0.283 894 HB3 GLU 115 3HB GLU 115 8.600 -13.838 -1.324 895 HG2 GLU 115 2HG GLU 115 9.914 -13.122 -3.090 896 HG3 GLU 115 3HG GLU 115 11.256 -12.648 -2.055 897 H ASN 116 H ASN 116 11.016 -10.256 -0.835 898 HA ASN 116 HA ASN 116 12.982 -10.944 1.261 899 HB2 ASN 116 2HB ASN 116 13.276 -9.350 -1.324 900 HB3 ASN 116 3HB ASN 116 14.551 -9.482 -0.117 901 HD21 ASN 116 1HD2 ASN 116 12.728 -11.185 -2.555 902 HD22 ASN 116 2HD2 ASN 116 13.750 -12.574 -2.640 903 H ILE 117 H ILE 117 10.429 -8.907 0.780 904 HA ILE 117 HA ILE 117 11.477 -6.636 2.333 905 HB ILE 117 HB ILE 117 8.604 -7.022 1.323 906 HG12 ILE 117 2HG1 ILE 117 10.840 -5.441 -0.023 907 HG13 ILE 117 3HG1 ILE 117 10.125 -6.926 -0.629 908 HG21 ILE 117 1HG2 ILE 117 8.861 -5.435 3.192 909 HG22 ILE 117 2HG2 ILE 117 8.373 -4.608 1.716 910 HG23 ILE 117 3HG2 ILE 117 10.050 -4.521 2.263 911 HD11 ILE 117 3HD1 ILE 117 9.268 -5.026 -1.824 912 HD12 ILE 117 1HD1 ILE 117 8.718 -4.280 -0.325 913 HD13 ILE 117 2HD1 ILE 117 7.975 -5.778 -0.892 914 H LYS 118 H LYS 118 11.386 -6.850 4.544 915 HA LYS 118 HA LYS 118 9.665 -8.984 5.691 916 HB2 LYS 118 2HB LYS 118 12.430 -8.130 6.649 917 HB3 LYS 118 3HB LYS 118 11.471 -9.435 7.318 918 HG2 LYS 118 2HG LYS 118 12.486 -9.457 4.473 919 HG3 LYS 118 3HG LYS 118 13.443 -10.046 5.822 920 HD2 LYS 118 2HD LYS 118 12.468 -11.963 4.826 921 HD3 LYS 118 3HD LYS 118 11.558 -11.686 6.306 922 HE2 LYS 118 2HE LYS 118 9.714 -10.754 5.052 923 HE3 LYS 118 3HE LYS 118 10.642 -10.814 3.551 924 HZ1 LYS 118 3HZ LYS 118 9.016 -12.661 3.822 925 HZ2 LYS 118 1HZ LYS 118 9.900 -13.225 5.144 926 HZ3 LYS 118 2HZ LYS 118 10.602 -13.202 3.603 927 H ARG 119 H ARG 119 8.637 -8.588 7.586 928 HA ARG 119 HA ARG 119 8.959 -5.972 8.955 929 HB2 ARG 119 2HB ARG 119 6.675 -6.284 9.845 930 HB3 ARG 119 3HB ARG 119 6.681 -6.215 8.088 931 HG2 ARG 119 2HG ARG 119 6.437 -8.656 7.966 932 HG3 ARG 119 3HG ARG 119 6.470 -8.761 9.729 933 HD2 ARG 119 2HD ARG 119 4.395 -7.386 9.829 934 HD3 ARG 119 3HD ARG 119 4.363 -7.328 8.068 935 HE ARG 119 HE ARG 119 3.914 -9.684 8.026 936 HH11 ARG 119 1HH1 ARG 119 3.633 -8.222 11.210 937 HH12 ARG 119 2HH1 ARG 119 2.627 -9.492 11.832 938 HH21 ARG 119 1HH2 ARG 119 2.597 -11.331 8.852 939 HH22 ARG 119 2HH2 ARG 119 2.040 -11.258 10.493 940 H LYS 120 H LYS 120 10.169 -8.827 8.986 941 HA LYS 120 HA LYS 120 10.127 -9.391 11.893 942 HB2 LYS 120 2HB LYS 120 11.101 -11.124 9.576 943 HB3 LYS 120 3HB LYS 120 11.079 -11.610 11.268 944 HG2 LYS 120 2HG LYS 120 8.609 -10.883 9.706 945 HG3 LYS 120 3HG LYS 120 9.221 -12.523 9.813 946 HD2 LYS 120 2HD LYS 120 8.637 -10.989 12.346 947 HD3 LYS 120 3HD LYS 120 7.309 -11.692 11.432 948 HE2 LYS 120 2HE LYS 120 8.035 -13.182 13.244 949 HE3 LYS 120 3HE LYS 120 8.300 -13.928 11.669 950 HZ1 LYS 120 3HZ LYS 120 10.159 -14.247 13.200 951 HZ2 LYS 120 1HZ LYS 120 10.385 -12.576 13.289 952 HZ3 LYS 120 2HZ LYS 120 10.631 -13.385 11.828 953 H VAL 121 H VAL 121 12.123 -9.660 12.923 954 HA VAL 121 HA VAL 121 14.216 -9.220 13.593 955 HB VAL 121 HB VAL 121 16.050 -10.174 12.375 956 HG11 VAL 121 1HG1 VAL 121 15.195 -12.420 11.892 957 HG12 VAL 121 2HG1 VAL 121 13.544 -11.798 11.838 958 HG13 VAL 121 3HG1 VAL 121 14.462 -11.757 13.348 959 HG21 VAL 121 3HG2 VAL 121 15.746 -9.173 10.162 960 HG22 VAL 121 1HG2 VAL 121 14.337 -10.197 9.861 961 HG23 VAL 121 2HG2 VAL 121 15.940 -10.920 10.028 962 H THR 122 H THR 122 12.830 -6.903 12.456 963 HA THR 122 HA THR 122 15.127 -5.294 11.466 964 HB THR 122 HB THR 122 13.705 -5.775 9.563 965 HG1 THR 122 HG1 THR 122 14.463 -3.455 10.144 966 HG21 THR 122 3HG2 THR 122 11.397 -4.558 11.111 967 HG22 THR 122 1HG2 THR 122 11.606 -6.276 10.770 968 HG23 THR 122 2HG2 THR 122 11.353 -5.141 9.444 969 H SER 123 H SER 123 12.180 -5.327 13.444 970 HA SER 123 HA SER 123 12.942 -3.002 14.931 971 HB2 SER 123 2HB SER 123 10.906 -1.622 14.285 972 HB3 SER 123 3HB SER 123 12.090 -1.801 12.990 973 HG SER 123 HG SER 123 10.647 -2.784 11.845 974 H VAL 124 H VAL 124 10.559 -2.248 16.098 975 HA VAL 124 HA VAL 124 9.902 -4.542 17.734 976 HB VAL 124 HB VAL 124 8.823 -1.676 17.824 977 HG11 VAL 124 1HG1 VAL 124 7.240 -3.215 18.899 978 HG12 VAL 124 2HG1 VAL 124 8.031 -2.203 20.103 979 HG13 VAL 124 3HG1 VAL 124 8.531 -3.884 19.903 980 HG21 VAL 124 3HG2 VAL 124 10.372 -1.364 19.729 981 HG22 VAL 124 1HG2 VAL 124 11.235 -1.774 18.246 982 HG23 VAL 124 2HG2 VAL 124 10.997 -2.999 19.493 983 H SER 125 H SER 125 8.153 -5.803 17.568 984 HA SER 125 HA SER 125 5.771 -4.964 16.035 985 HB2 SER 125 2HB SER 125 7.028 -7.747 16.034 986 HB3 SER 125 3HB SER 125 5.584 -7.259 15.147 987 HG SER 125 HG SER 125 7.298 -5.551 14.346 Start of MODEL 17 1 H1 MET 1 1H MET 1 35.475 -17.226 -9.944 2 H2 MET 1 2H MET 1 37.082 -17.325 -9.432 3 H3 MET 1 3H MET 1 36.562 -18.230 -10.757 4 HA MET 1 HA MET 1 36.690 -15.286 -10.620 5 HB2 MET 1 2HB MET 1 38.452 -17.328 -12.025 6 HB3 MET 1 3HB MET 1 38.491 -15.613 -12.408 7 HG2 MET 1 2HG MET 1 39.101 -16.757 -9.676 8 HG3 MET 1 3HG MET 1 40.316 -16.370 -10.892 9 HE1 MET 1 3HE MET 1 39.957 -12.467 -11.173 10 HE2 MET 1 1HE MET 1 39.150 -13.665 -12.181 11 HE3 MET 1 2HE MET 1 40.842 -13.887 -11.728 12 H GLY 2 H GLY 2 36.755 -17.829 -13.185 13 HA2 GLY 2 2HA GLY 2 35.044 -16.065 -14.833 14 HA3 GLY 2 3HA GLY 2 36.187 -17.253 -15.426 15 H HIS 3 H HIS 3 33.508 -17.516 -13.065 16 HA HIS 3 HA HIS 3 31.753 -18.762 -14.967 17 HB2 HIS 3 2HB HIS 3 31.409 -20.911 -13.670 18 HB3 HIS 3 3HB HIS 3 32.951 -20.799 -14.506 19 HD1 HIS 3 HD1 HIS 3 35.066 -20.267 -12.928 20 HD2 HIS 3 HD2 HIS 3 31.612 -21.513 -10.988 21 HE1 HIS 3 HE1 HIS 3 35.781 -20.919 -10.620 22 HE2 HIS 3 HE2 HIS 3 33.706 -21.814 -9.525 23 H HIS 4 H HIS 4 30.487 -17.019 -14.471 24 HA HIS 4 HA HIS 4 29.108 -17.016 -11.840 25 HB2 HIS 4 2HB HIS 4 29.695 -14.670 -13.707 26 HB3 HIS 4 3HB HIS 4 28.609 -14.575 -12.327 27 HD1 HIS 4 HD1 HIS 4 29.695 -14.717 -9.945 28 HD2 HIS 4 HD2 HIS 4 32.416 -14.541 -13.080 29 HE1 HIS 4 HE1 HIS 4 31.903 -14.169 -8.895 30 HE2 HIS 4 HE2 HIS 4 33.464 -13.820 -10.832 31 H HIS 5 H HIS 5 27.535 -18.434 -12.441 32 HA HIS 5 HA HIS 5 25.921 -17.984 -14.845 33 HB2 HIS 5 2HB HIS 5 25.912 -20.236 -12.785 34 HB3 HIS 5 3HB HIS 5 24.834 -20.165 -14.174 35 HD1 HIS 5 HD1 HIS 5 25.666 -21.266 -16.253 36 HD2 HIS 5 HD2 HIS 5 28.770 -20.390 -13.632 37 HE1 HIS 5 HE1 HIS 5 27.720 -22.297 -17.257 38 HE2 HIS 5 HE2 HIS 5 29.558 -21.837 -15.609 39 H HIS 6 H HIS 6 24.641 -16.255 -14.464 40 HA HIS 6 HA HIS 6 23.139 -15.723 -12.114 41 HB2 HIS 6 2HB HIS 6 23.632 -13.976 -13.802 42 HB3 HIS 6 3HB HIS 6 22.696 -14.852 -15.007 43 HD1 HIS 6 HD1 HIS 6 22.352 -12.515 -12.117 44 HD2 HIS 6 HD2 HIS 6 19.870 -14.591 -14.720 45 HE1 HIS 6 HE1 HIS 6 20.083 -11.475 -11.877 46 HE2 HIS 6 HE2 HIS 6 18.660 -12.637 -13.585 47 H HIS 7 H HIS 7 22.012 -17.509 -11.433 48 HA HIS 7 HA HIS 7 20.313 -19.131 -13.061 49 HB2 HIS 7 2HB HIS 7 20.389 -18.740 -10.033 50 HB3 HIS 7 3HB HIS 7 19.353 -19.913 -10.833 51 HD1 HIS 7 HD1 HIS 7 20.334 -22.164 -11.315 52 HD2 HIS 7 HD2 HIS 7 23.245 -19.376 -10.306 53 HE1 HIS 7 HE1 HIS 7 22.451 -23.469 -11.022 54 HE2 HIS 7 HE2 HIS 7 24.214 -21.754 -10.513 55 H HIS 8 H HIS 8 18.973 -17.636 -14.239 56 HA HIS 8 HA HIS 8 16.961 -16.124 -12.774 57 HB2 HIS 8 2HB HIS 8 17.628 -15.303 -15.006 58 HB3 HIS 8 3HB HIS 8 17.089 -16.809 -15.746 59 HD1 HIS 8 HD1 HIS 8 14.571 -17.111 -16.130 60 HD2 HIS 8 HD2 HIS 8 15.502 -13.561 -14.186 61 HE1 HIS 8 HE1 HIS 8 12.433 -15.800 -16.051 62 HE2 HIS 8 HE2 HIS 8 12.994 -13.725 -14.753 63 H SER 9 H SER 9 16.187 -17.711 -11.439 64 HA SER 9 HA SER 9 14.896 -20.129 -12.462 65 HB2 SER 9 2HB SER 9 15.114 -19.065 -9.605 66 HB3 SER 9 3HB SER 9 14.648 -20.702 -10.087 67 HG SER 9 HG SER 9 17.016 -20.051 -11.196 68 H HIS 10 H HIS 10 12.643 -20.614 -11.831 69 HA HIS 10 HA HIS 10 10.816 -18.409 -12.026 70 HB2 HIS 10 2HB HIS 10 10.247 -20.664 -12.902 71 HB3 HIS 10 3HB HIS 10 10.256 -21.307 -11.265 72 HD1 HIS 10 HD1 HIS 10 7.997 -21.424 -10.216 73 HD2 HIS 10 HD2 HIS 10 8.149 -18.516 -13.182 74 HE1 HIS 10 HE1 HIS 10 5.655 -20.566 -10.444 75 HE2 HIS 10 HE2 HIS 10 5.778 -18.788 -12.213 76 H MET 11 H MET 11 11.276 -17.038 -10.374 77 HA MET 11 HA MET 11 11.398 -17.823 -7.587 78 HB2 MET 11 2HB MET 11 11.499 -15.115 -8.977 79 HB3 MET 11 3HB MET 11 11.654 -15.321 -7.237 80 HG2 MET 11 2HG MET 11 13.712 -16.532 -7.483 81 HG3 MET 11 3HG MET 11 13.524 -16.620 -9.235 82 HE1 MET 11 3HE MET 11 14.197 -12.978 -10.387 83 HE2 MET 11 1HE MET 11 12.638 -13.767 -10.128 84 HE3 MET 11 2HE MET 11 13.964 -14.655 -10.883 85 H ALA 12 H ALA 12 9.224 -18.803 -8.090 86 HA ALA 12 HA ALA 12 7.170 -17.513 -6.616 87 HB1 ALA 12 3HB ALA 12 5.426 -17.445 -8.382 88 HB2 ALA 12 1HB ALA 12 6.629 -17.894 -9.598 89 HB3 ALA 12 2HB ALA 12 6.753 -16.349 -8.760 90 H GLY 13 H GLY 13 5.380 -19.057 -6.238 91 HA2 GLY 13 2HA GLY 13 4.433 -21.261 -6.412 92 HA3 GLY 13 3HA GLY 13 5.975 -21.872 -6.989 93 HA PRO 14 HA PRO 14 6.986 -22.622 -2.580 94 HB2 PRO 14 2HB PRO 14 9.858 -22.652 -3.334 95 HB3 PRO 14 3HB PRO 14 8.846 -23.992 -2.770 96 HG2 PRO 14 2HG PRO 14 9.768 -23.879 -5.311 97 HG3 PRO 14 3HG PRO 14 8.185 -24.593 -4.914 98 HD2 PRO 14 2HD PRO 14 8.789 -21.822 -5.965 99 HD3 PRO 14 3HD PRO 14 7.552 -22.985 -6.504 100 H SER 15 H SER 15 6.531 -19.927 -3.406 101 HA SER 15 HA SER 15 8.799 -18.246 -2.927 102 HB2 SER 15 2HB SER 15 7.090 -17.632 -4.595 103 HB3 SER 15 3HB SER 15 5.853 -17.564 -3.339 104 HG SER 15 HG SER 15 8.120 -15.884 -3.657 105 H ASN 16 H ASN 16 8.902 -16.616 -1.300 106 HA ASN 16 HA ASN 16 7.812 -17.512 1.317 107 HB2 ASN 16 2HB ASN 16 10.375 -15.961 0.715 108 HB3 ASN 16 3HB ASN 16 9.855 -16.508 2.304 109 HD21 ASN 16 1HD2 ASN 16 11.149 -17.504 -0.779 110 HD22 ASN 16 2HD2 ASN 16 11.676 -19.071 -0.270 111 H VAL 17 H VAL 17 6.769 -15.425 -0.801 112 HA VAL 17 HA VAL 17 7.035 -12.833 0.277 113 HB VAL 17 HB VAL 17 4.728 -13.928 -1.412 114 HG11 VAL 17 1HG1 VAL 17 5.484 -11.045 -0.807 115 HG12 VAL 17 2HG1 VAL 17 4.009 -11.872 -0.300 116 HG13 VAL 17 3HG1 VAL 17 4.296 -11.548 -2.011 117 HG21 VAL 17 3HG2 VAL 17 6.940 -14.098 -2.517 118 HG22 VAL 17 1HG2 VAL 17 7.221 -12.381 -2.229 119 HG23 VAL 17 2HG2 VAL 17 5.923 -12.896 -3.312 120 HA PRO 18 HA PRO 18 4.442 -13.160 3.988 121 HB2 PRO 18 2HB PRO 18 4.367 -10.157 3.764 122 HB3 PRO 18 3HB PRO 18 4.900 -11.167 5.124 123 HG2 PRO 18 2HG PRO 18 6.679 -9.849 3.646 124 HG3 PRO 18 3HG PRO 18 7.024 -11.490 4.245 125 HD2 PRO 18 2HD PRO 18 6.152 -10.644 1.482 126 HD3 PRO 18 3HD PRO 18 7.390 -11.835 1.961 127 H ALA 19 H ALA 19 2.234 -13.248 4.254 128 HA ALA 19 HA ALA 19 0.382 -13.001 2.242 129 HB1 ALA 19 3HB ALA 19 0.006 -14.256 4.320 130 HB2 ALA 19 1HB ALA 19 -1.319 -13.130 4.016 131 HB3 ALA 19 2HB ALA 19 -0.097 -12.748 5.234 132 H PHE 20 H PHE 20 1.240 -10.580 4.742 133 HA PHE 20 HA PHE 20 -0.431 -8.501 4.191 134 HB2 PHE 20 2HB PHE 20 1.229 -8.467 6.015 135 HB3 PHE 20 3HB PHE 20 2.545 -8.334 4.854 136 HD1 PHE 20 HD2 PHE 20 -0.494 -6.543 6.117 137 HD2 PHE 20 HD1 PHE 20 3.266 -6.170 4.116 138 HE1 PHE 20 HE2 PHE 20 -0.710 -4.092 6.148 139 HE2 PHE 20 HE1 PHE 20 3.041 -3.732 4.152 140 HZ PHE 20 HZ PHE 20 1.055 -2.684 5.162 141 H LEU 21 H LEU 21 2.531 -9.310 2.329 142 HA LEU 21 HA LEU 21 2.386 -6.817 0.810 143 HB2 LEU 21 2HB LEU 21 4.374 -9.116 0.739 144 HB3 LEU 21 3HB LEU 21 4.499 -7.686 -0.277 145 HG LEU 21 HG LEU 21 4.684 -7.696 2.773 146 HD11 LEU 21 1HD1 LEU 21 6.657 -8.673 1.695 147 HD12 LEU 21 2HD1 LEU 21 7.041 -7.127 2.444 148 HD13 LEU 21 3HD1 LEU 21 6.841 -7.233 0.690 149 HD21 LEU 21 3HD2 LEU 21 5.006 -5.381 0.830 150 HD22 LEU 21 1HD2 LEU 21 5.308 -5.323 2.570 151 HD23 LEU 21 2HD2 LEU 21 3.676 -5.611 1.970 152 H THR 22 H THR 22 1.714 -10.204 0.430 153 HA THR 22 HA THR 22 1.163 -10.292 -2.325 154 HB THR 22 HB THR 22 0.142 -11.921 0.039 155 HG1 THR 22 HG1 THR 22 2.211 -12.272 -1.855 156 HG21 THR 22 3HG2 THR 22 -1.434 -12.188 -1.836 157 HG22 THR 22 1HG2 THR 22 -0.497 -13.658 -1.564 158 HG23 THR 22 2HG2 THR 22 -0.088 -12.585 -2.903 159 H LYS 23 H LYS 23 -0.965 -9.602 0.498 160 HA LYS 23 HA LYS 23 -3.346 -9.091 -0.983 161 HB2 LYS 23 2HB LYS 23 -2.539 -8.039 1.760 162 HB3 LYS 23 3HB LYS 23 -4.161 -7.962 1.098 163 HG2 LYS 23 2HG LYS 23 -2.762 -10.601 1.599 164 HG3 LYS 23 3HG LYS 23 -3.634 -9.749 2.867 165 HD2 LYS 23 2HD LYS 23 -5.152 -11.356 2.042 166 HD3 LYS 23 3HD LYS 23 -5.689 -9.830 1.347 167 HE2 LYS 23 2HE LYS 23 -4.617 -10.451 -0.794 168 HE3 LYS 23 3HE LYS 23 -4.070 -11.968 -0.072 169 HZ1 LYS 23 3HZ LYS 23 -6.918 -11.165 -0.347 170 HZ2 LYS 23 1HZ LYS 23 -6.344 -12.649 0.219 171 HZ3 LYS 23 2HZ LYS 23 -6.109 -12.213 -1.396 172 H LEU 24 H LEU 24 -0.801 -6.994 0.340 173 HA LEU 24 HA LEU 24 -1.722 -4.482 -0.346 174 HB2 LEU 24 2HB LEU 24 0.196 -4.809 1.125 175 HB3 LEU 24 3HB LEU 24 1.126 -5.528 -0.179 176 HG LEU 24 HG LEU 24 1.165 -3.320 -1.360 177 HD11 LEU 24 1HD1 LEU 24 0.464 -1.279 -0.204 178 HD12 LEU 24 2HD1 LEU 24 -0.225 -2.243 1.103 179 HD13 LEU 24 3HD1 LEU 24 -0.896 -2.351 -0.527 180 HD21 LEU 24 3HD2 LEU 24 3.039 -3.942 0.087 181 HD22 LEU 24 1HD2 LEU 24 2.236 -3.206 1.477 182 HD23 LEU 24 2HD2 LEU 24 2.764 -2.202 0.122 183 H TRP 25 H TRP 25 0.497 -6.567 -2.275 184 HA TRP 25 HA TRP 25 0.777 -4.841 -4.448 185 HB2 TRP 25 2HB TRP 25 2.358 -6.628 -4.173 186 HB3 TRP 25 3HB TRP 25 1.098 -7.854 -4.238 187 HD1 TRP 25 HD1 TRP 25 1.775 -9.223 -6.317 188 HE1 TRP 25 HE1 TRP 25 2.130 -8.738 -8.810 189 HE3 TRP 25 HE3 TRP 25 1.606 -4.081 -6.215 190 HZ2 TRP 25 HZ2 TRP 25 2.283 -6.515 -10.510 191 HZ3 TRP 25 HZ3 TRP 25 1.859 -2.864 -8.330 192 HH2 TRP 25 HH2 TRP 25 2.191 -4.060 -10.433 193 H THR 26 H THR 26 -1.520 -7.591 -4.091 194 HA THR 26 HA THR 26 -2.809 -7.291 -6.577 195 HB THR 26 HB THR 26 -4.026 -8.387 -4.001 196 HG1 THR 26 HG1 THR 26 -2.433 -9.759 -4.200 197 HG21 THR 26 3HG2 THR 26 -5.328 -9.865 -5.510 198 HG22 THR 26 1HG2 THR 26 -4.636 -9.050 -6.914 199 HG23 THR 26 2HG2 THR 26 -5.700 -8.167 -5.816 200 H LEU 27 H LEU 27 -3.234 -5.582 -3.533 201 HA LEU 27 HA LEU 27 -5.669 -4.231 -4.154 202 HB2 LEU 27 2HB LEU 27 -5.001 -4.617 -1.857 203 HB3 LEU 27 3HB LEU 27 -3.491 -3.755 -2.091 204 HG LEU 27 HG LEU 27 -4.660 -1.618 -2.241 205 HD11 LEU 27 1HD1 LEU 27 -6.673 -2.445 -3.424 206 HD12 LEU 27 2HD1 LEU 27 -7.035 -1.386 -2.075 207 HD13 LEU 27 3HD1 LEU 27 -7.257 -3.123 -1.902 208 HD21 LEU 27 3HD2 LEU 27 -4.088 -2.427 0.015 209 HD22 LEU 27 1HD2 LEU 27 -5.661 -3.222 0.143 210 HD23 LEU 27 2HD2 LEU 27 -5.561 -1.460 0.041 211 H VAL 28 H VAL 28 -2.228 -3.279 -4.294 212 HA VAL 28 HA VAL 28 -2.510 -0.654 -5.266 213 HB VAL 28 HB VAL 28 -0.246 -2.683 -5.583 214 HG11 VAL 28 1HG1 VAL 28 -0.130 0.291 -6.189 215 HG12 VAL 28 2HG1 VAL 28 0.016 -1.020 -7.363 216 HG13 VAL 28 3HG1 VAL 28 1.260 -0.797 -6.131 217 HG21 VAL 28 3HG2 VAL 28 -0.714 -2.052 -3.253 218 HG22 VAL 28 1HG2 VAL 28 -0.547 -0.343 -3.667 219 HG23 VAL 28 2HG2 VAL 28 0.850 -1.418 -3.766 220 H SER 29 H SER 29 -2.467 -3.774 -6.873 221 HA SER 29 HA SER 29 -2.448 -2.650 -9.567 222 HB2 SER 29 2HB SER 29 -2.246 -5.022 -10.279 223 HB3 SER 29 3HB SER 29 -1.030 -4.629 -9.069 224 HG SER 29 HG SER 29 -1.840 -6.094 -7.834 225 H ASP 30 H ASP 30 -4.852 -2.835 -7.382 226 HA ASP 30 HA ASP 30 -6.947 -3.946 -9.090 227 HB2 ASP 30 2HB ASP 30 -6.955 -4.319 -6.615 228 HB3 ASP 30 3HB ASP 30 -7.165 -2.593 -6.367 229 HA PRO 31 HA PRO 31 -7.639 0.280 -10.804 230 HB2 PRO 31 2HB PRO 31 -9.236 -0.431 -12.885 231 HB3 PRO 31 3HB PRO 31 -7.497 -0.800 -12.890 232 HG2 PRO 31 2HG PRO 31 -9.793 -2.617 -12.193 233 HG3 PRO 31 3HG PRO 31 -8.387 -2.940 -13.235 234 HD2 PRO 31 2HD PRO 31 -8.512 -3.754 -10.619 235 HD3 PRO 31 3HD PRO 31 -6.981 -3.373 -11.438 236 H ASP 32 H ASP 32 -9.863 -1.852 -9.298 237 HA ASP 32 HA ASP 32 -12.184 -0.109 -9.444 238 HB2 ASP 32 2HB ASP 32 -12.578 -2.499 -9.444 239 HB3 ASP 32 3HB ASP 32 -11.645 -2.718 -7.972 240 H THR 33 H THR 33 -9.480 -0.579 -7.289 241 HA THR 33 HA THR 33 -10.707 1.197 -5.243 242 HB THR 33 HB THR 33 -8.822 0.433 -3.735 243 HG1 THR 33 HG1 THR 33 -7.313 -0.339 -5.169 244 HG21 THR 33 3HG2 THR 33 -11.038 -0.635 -3.517 245 HG22 THR 33 1HG2 THR 33 -9.743 -1.799 -3.221 246 HG23 THR 33 2HG2 THR 33 -10.600 -1.807 -4.763 247 H ASP 34 H ASP 34 -9.146 1.675 -7.933 248 HA ASP 34 HA ASP 34 -6.580 2.635 -7.420 249 HB2 ASP 34 2HB ASP 34 -6.537 3.437 -9.657 250 HB3 ASP 34 3HB ASP 34 -7.626 2.058 -9.689 251 H ALA 35 H ALA 35 -9.631 4.323 -7.039 252 HA ALA 35 HA ALA 35 -8.643 6.996 -7.126 253 HB1 ALA 35 3HB ALA 35 -10.838 7.641 -6.232 254 HB2 ALA 35 1HB ALA 35 -11.192 5.946 -5.867 255 HB3 ALA 35 2HB ALA 35 -10.995 6.468 -7.540 256 H LEU 36 H LEU 36 -8.633 4.591 -4.588 257 HA LEU 36 HA LEU 36 -7.863 6.635 -2.575 258 HB2 LEU 36 2HB LEU 36 -9.113 3.898 -2.081 259 HB3 LEU 36 3HB LEU 36 -8.656 5.061 -0.844 260 HG LEU 36 HG LEU 36 -10.894 5.382 -2.885 261 HD11 LEU 36 1HD1 LEU 36 -11.022 5.125 0.130 262 HD12 LEU 36 2HD1 LEU 36 -11.418 3.854 -1.034 263 HD13 LEU 36 3HD1 LEU 36 -12.389 5.323 -0.972 264 HD21 LEU 36 3HD2 LEU 36 -9.846 7.551 -2.519 265 HD22 LEU 36 1HD2 LEU 36 -9.972 7.352 -0.768 266 HD23 LEU 36 2HD2 LEU 36 -11.431 7.503 -1.755 267 H ILE 37 H ILE 37 -6.921 3.753 -4.284 268 HA ILE 37 HA ILE 37 -4.186 4.206 -3.488 269 HB ILE 37 HB ILE 37 -4.816 2.750 -1.640 270 HG12 ILE 37 2HG1 ILE 37 -3.146 1.167 -3.652 271 HG13 ILE 37 3HG1 ILE 37 -2.540 2.468 -2.638 272 HG21 ILE 37 1HG2 ILE 37 -5.683 0.473 -1.929 273 HG22 ILE 37 2HG2 ILE 37 -5.738 0.703 -3.677 274 HG23 ILE 37 3HG2 ILE 37 -6.785 1.663 -2.630 275 HD11 ILE 37 3HD1 ILE 37 -1.900 0.335 -1.737 276 HD12 ILE 37 1HD1 ILE 37 -3.581 -0.197 -1.671 277 HD13 ILE 37 2HD1 ILE 37 -3.028 1.125 -0.639 278 H CYS 38 H CYS 38 -3.010 3.992 -5.273 279 HA CYS 38 HA CYS 38 -3.464 1.849 -7.202 280 HB2 CYS 38 2HB CYS 38 -3.500 3.452 -9.138 281 HB3 CYS 38 3HB CYS 38 -4.911 3.606 -8.099 282 HG CYS 38 HG CYS 38 -4.577 6.058 -7.365 283 H TRP 39 H TRP 39 -1.723 1.675 -8.756 284 HA TRP 39 HA TRP 39 0.898 2.316 -7.736 285 HB2 TRP 39 2HB TRP 39 1.655 1.337 -10.027 286 HB3 TRP 39 3HB TRP 39 0.828 0.245 -8.928 287 HD1 TRP 39 HD1 TRP 39 -1.554 -0.694 -9.675 288 HE1 TRP 39 HE1 TRP 39 -2.815 -0.711 -11.902 289 HE3 TRP 39 HE3 TRP 39 1.240 2.732 -12.267 290 HZ2 TRP 39 HZ2 TRP 39 -2.670 0.520 -14.414 291 HZ3 TRP 39 HZ3 TRP 39 0.613 3.250 -14.589 292 HH2 TRP 39 HH2 TRP 39 -1.308 2.163 -15.643 293 H SER 40 H SER 40 2.367 3.797 -8.582 294 HA SER 40 HA SER 40 1.415 6.112 -10.030 295 HB2 SER 40 2HB SER 40 4.282 5.300 -9.319 296 HB3 SER 40 3HB SER 40 3.718 6.920 -9.736 297 HG SER 40 HG SER 40 2.219 6.159 -7.734 298 HA PRO 41 HA PRO 41 1.997 4.664 -14.255 299 HB2 PRO 41 2HB PRO 41 3.486 6.836 -15.359 300 HB3 PRO 41 3HB PRO 41 1.722 6.688 -15.298 301 HG2 PRO 41 2HG PRO 41 3.551 8.158 -13.445 302 HG3 PRO 41 3HG PRO 41 1.929 8.606 -14.019 303 HD2 PRO 41 2HD PRO 41 2.269 7.671 -11.537 304 HD3 PRO 41 3HD PRO 41 0.846 7.179 -12.487 305 H SER 42 H SER 42 4.909 5.749 -12.551 306 HA SER 42 HA SER 42 6.820 4.450 -14.260 307 HB2 SER 42 2HB SER 42 7.117 5.406 -11.381 308 HB3 SER 42 3HB SER 42 8.441 4.982 -12.470 309 HG SER 42 HG SER 42 7.786 6.686 -13.827 310 H GLY 43 H GLY 43 4.873 3.415 -11.545 311 HA2 GLY 43 2HA GLY 43 4.275 1.266 -10.982 312 HA3 GLY 43 3HA GLY 43 5.515 0.632 -12.054 313 H ASN 44 H ASN 44 6.918 2.922 -10.076 314 HA ASN 44 HA ASN 44 8.451 0.894 -8.672 315 HB2 ASN 44 2HB ASN 44 8.703 3.935 -8.562 316 HB3 ASN 44 3HB ASN 44 9.906 2.769 -8.024 317 HD21 ASN 44 1HD2 ASN 44 9.661 1.012 -10.363 318 HD22 ASN 44 2HD2 ASN 44 10.347 1.874 -11.687 319 H SER 45 H SER 45 5.801 3.002 -7.998 320 HA SER 45 HA SER 45 5.850 2.477 -5.121 321 HB2 SER 45 2HB SER 45 5.630 4.981 -4.679 322 HB3 SER 45 3HB SER 45 7.223 4.478 -5.244 323 HG SER 45 HG SER 45 5.337 6.087 -6.470 324 H PHE 46 H PHE 46 3.845 3.794 -4.133 325 HA PHE 46 HA PHE 46 1.602 4.001 -6.009 326 HB2 PHE 46 2HB PHE 46 0.155 2.481 -4.715 327 HB3 PHE 46 3HB PHE 46 1.556 1.634 -5.346 328 HD1 PHE 46 HD2 PHE 46 3.435 0.991 -3.763 329 HD2 PHE 46 HD1 PHE 46 -0.302 2.529 -2.345 330 HE1 PHE 46 HE2 PHE 46 3.896 0.063 -1.530 331 HE2 PHE 46 HE1 PHE 46 0.167 1.596 -0.123 332 HZ PHE 46 HZ PHE 46 2.259 0.363 0.288 333 H HIS 47 H HIS 47 -0.074 5.324 -5.310 334 HA HIS 47 HA HIS 47 0.489 6.954 -2.892 335 HB2 HIS 47 2HB HIS 47 -1.142 7.599 -5.386 336 HB3 HIS 47 3HB HIS 47 -1.083 8.634 -3.969 337 HD1 HIS 47 HD1 HIS 47 0.545 10.479 -4.152 338 HD2 HIS 47 HD2 HIS 47 1.615 7.297 -6.574 339 HE1 HIS 47 HE1 HIS 47 2.553 11.252 -5.429 340 HE2 HIS 47 HE2 HIS 47 3.312 9.233 -6.702 341 H VAL 48 H VAL 48 -1.238 7.446 -1.486 342 HA VAL 48 HA VAL 48 -3.714 5.833 -1.688 343 HB VAL 48 HB VAL 48 -2.164 6.503 0.872 344 HG11 VAL 48 1HG1 VAL 48 -4.795 5.007 0.587 345 HG12 VAL 48 2HG1 VAL 48 -4.585 6.614 1.289 346 HG13 VAL 48 3HG1 VAL 48 -3.884 5.206 2.087 347 HG21 VAL 48 3HG2 VAL 48 -1.133 4.648 -0.371 348 HG22 VAL 48 1HG2 VAL 48 -2.681 3.800 -0.418 349 HG23 VAL 48 2HG2 VAL 48 -1.864 4.062 1.126 350 H PHE 49 H PHE 49 -5.548 7.036 -1.481 351 HA PHE 49 HA PHE 49 -5.371 9.885 -0.665 352 HB2 PHE 49 2HB PHE 49 -7.200 8.552 -2.725 353 HB3 PHE 49 3HB PHE 49 -7.437 10.193 -2.133 354 HD1 PHE 49 HD2 PHE 49 -5.847 11.989 -2.725 355 HD2 PHE 49 HD1 PHE 49 -5.441 8.044 -4.345 356 HE1 PHE 49 HE2 PHE 49 -4.357 12.852 -4.469 357 HE2 PHE 49 HE1 PHE 49 -3.950 8.926 -6.093 358 HZ PHE 49 HZ PHE 49 -3.416 11.330 -6.150 359 H ASP 50 H ASP 50 -6.944 10.659 0.715 360 HA ASP 50 HA ASP 50 -8.596 10.736 2.269 361 HB2 ASP 50 2HB ASP 50 -9.985 8.831 0.329 362 HB3 ASP 50 3HB ASP 50 -10.801 9.718 1.607 363 H GLN 51 H GLN 51 -6.907 9.498 3.535 364 HA GLN 51 HA GLN 51 -6.729 6.782 3.878 365 HB2 GLN 51 2HB GLN 51 -6.266 8.926 5.984 366 HB3 GLN 51 3HB GLN 51 -5.730 7.252 6.121 367 HG2 GLN 51 2HG GLN 51 -4.317 7.566 4.088 368 HG3 GLN 51 3HG GLN 51 -4.784 9.269 4.055 369 HE21 GLN 51 1HE2 GLN 51 -2.142 7.962 4.431 370 HE22 GLN 51 2HE2 GLN 51 -1.521 8.590 5.913 371 H GLY 52 H GLY 52 -9.089 8.918 5.420 372 HA2 GLY 52 2HA GLY 52 -10.118 7.089 7.336 373 HA3 GLY 52 3HA GLY 52 -10.939 8.508 6.721 374 H GLN 53 H GLN 53 -11.096 7.842 3.987 375 HA GLN 53 HA GLN 53 -13.388 6.111 3.976 376 HB2 GLN 53 2HB GLN 53 -13.131 8.175 2.546 377 HB3 GLN 53 3HB GLN 53 -11.894 7.333 1.620 378 HG2 GLN 53 2HG GLN 53 -14.020 7.286 0.429 379 HG3 GLN 53 3HG GLN 53 -13.559 5.652 0.905 380 HE21 GLN 53 1HE2 GLN 53 -15.694 4.913 0.767 381 HE22 GLN 53 2HE2 GLN 53 -16.909 5.362 1.904 382 H PHE 54 H PHE 54 -10.136 5.982 2.556 383 HA PHE 54 HA PHE 54 -10.019 3.527 1.363 384 HB2 PHE 54 2HB PHE 54 -8.166 5.016 1.110 385 HB3 PHE 54 3HB PHE 54 -7.972 5.221 2.841 386 HD1 PHE 54 HD2 PHE 54 -7.325 2.889 -0.002 387 HD2 PHE 54 HD1 PHE 54 -6.516 3.769 4.111 388 HE1 PHE 54 HE2 PHE 54 -5.507 1.226 0.020 389 HE2 PHE 54 HE1 PHE 54 -4.700 2.115 4.108 390 HZ PHE 54 HZ PHE 54 -4.200 0.839 2.064 391 H ALA 55 H ALA 55 -9.262 4.247 4.758 392 HA ALA 55 HA ALA 55 -8.699 1.617 5.556 393 HB1 ALA 55 3HB ALA 55 -9.731 3.931 7.234 394 HB2 ALA 55 1HB ALA 55 -8.040 3.625 6.828 395 HB3 ALA 55 2HB ALA 55 -8.920 2.487 7.847 396 H LYS 56 H LYS 56 -11.729 3.363 5.325 397 HA LYS 56 HA LYS 56 -13.314 1.687 6.960 398 HB2 LYS 56 2HB LYS 56 -14.046 3.903 6.725 399 HB3 LYS 56 3HB LYS 56 -13.875 3.898 4.982 400 HG2 LYS 56 2HG LYS 56 -15.953 2.065 6.108 401 HG3 LYS 56 3HG LYS 56 -16.269 3.793 6.264 402 HD2 LYS 56 2HD LYS 56 -16.230 4.117 3.878 403 HD3 LYS 56 3HD LYS 56 -15.528 2.522 3.596 404 HE2 LYS 56 2HE LYS 56 -17.634 1.482 4.384 405 HE3 LYS 56 3HE LYS 56 -18.325 3.085 4.633 406 HZ1 LYS 56 3HZ LYS 56 -18.971 2.005 2.517 407 HZ2 LYS 56 1HZ LYS 56 -17.366 2.104 1.995 408 HZ3 LYS 56 2HZ LYS 56 -18.240 3.514 2.313 409 H GLU 57 H GLU 57 -12.887 1.749 3.397 410 HA GLU 57 HA GLU 57 -14.654 -0.655 3.190 411 HB2 GLU 57 2HB GLU 57 -15.042 0.113 0.811 412 HB3 GLU 57 3HB GLU 57 -15.652 1.192 2.057 413 HG2 GLU 57 2HG GLU 57 -13.771 2.704 1.730 414 HG3 GLU 57 3HG GLU 57 -13.036 1.591 0.580 415 H VAL 58 H VAL 58 -11.483 0.541 2.245 416 HA VAL 58 HA VAL 58 -11.045 -1.467 0.173 417 HB VAL 58 HB VAL 58 -9.268 0.725 1.334 418 HG11 VAL 58 1HG1 VAL 58 -7.829 0.401 -0.654 419 HG12 VAL 58 2HG1 VAL 58 -8.782 -1.020 -1.095 420 HG13 VAL 58 3HG1 VAL 58 -7.849 -1.013 0.404 421 HG21 VAL 58 3HG2 VAL 58 -9.767 1.949 -0.763 422 HG22 VAL 58 1HG2 VAL 58 -11.241 1.604 0.148 423 HG23 VAL 58 2HG2 VAL 58 -10.838 0.641 -1.276 424 H LEU 59 H LEU 59 -9.669 -0.707 3.392 425 HA LEU 59 HA LEU 59 -7.805 -2.832 3.434 426 HB2 LEU 59 2HB LEU 59 -8.974 -1.166 5.668 427 HB3 LEU 59 3HB LEU 59 -7.808 -2.440 5.983 428 HG LEU 59 HG LEU 59 -7.333 0.070 4.324 429 HD11 LEU 59 1HD1 LEU 59 -6.162 -0.810 6.974 430 HD12 LEU 59 2HD1 LEU 59 -7.359 0.466 6.731 431 HD13 LEU 59 3HD1 LEU 59 -5.731 0.653 6.080 432 HD21 LEU 59 3HD2 LEU 59 -6.108 -1.800 3.311 433 HD22 LEU 59 1HD2 LEU 59 -5.406 -2.218 4.880 434 HD23 LEU 59 2HD2 LEU 59 -4.997 -0.687 4.101 435 HA PRO 60 HA PRO 60 -11.092 -5.569 5.824 436 HB2 PRO 60 2HB PRO 60 -13.767 -4.982 5.406 437 HB3 PRO 60 3HB PRO 60 -12.845 -4.380 6.798 438 HG2 PRO 60 2HG PRO 60 -13.483 -2.966 4.228 439 HG3 PRO 60 3HG PRO 60 -13.579 -2.360 5.892 440 HD2 PRO 60 2HD PRO 60 -11.492 -1.751 4.309 441 HD3 PRO 60 3HD PRO 60 -11.277 -2.027 6.053 442 H LYS 61 H LYS 61 -11.417 -4.219 2.636 443 HA LYS 61 HA LYS 61 -12.753 -6.413 1.361 444 HB2 LYS 61 2HB LYS 61 -12.755 -4.142 0.402 445 HB3 LYS 61 3HB LYS 61 -11.011 -4.204 0.197 446 HG2 LYS 61 2HG LYS 61 -11.229 -5.928 -1.527 447 HG3 LYS 61 3HG LYS 61 -12.974 -6.017 -1.254 448 HD2 LYS 61 2HD LYS 61 -13.194 -3.641 -1.987 449 HD3 LYS 61 3HD LYS 61 -11.456 -3.583 -2.287 450 HE2 LYS 61 2HE LYS 61 -13.338 -5.498 -3.709 451 HE3 LYS 61 3HE LYS 61 -12.891 -3.915 -4.345 452 HZ1 LYS 61 3HZ LYS 61 -10.968 -6.107 -3.745 453 HZ2 LYS 61 1HZ LYS 61 -10.594 -4.605 -4.432 454 HZ3 LYS 61 2HZ LYS 61 -11.550 -5.710 -5.275 455 H TYR 62 H TYR 62 -9.318 -5.397 1.498 456 HA TYR 62 HA TYR 62 -8.501 -8.010 0.396 457 HB2 TYR 62 2HB TYR 62 -7.030 -5.406 0.813 458 HB3 TYR 62 3HB TYR 62 -6.123 -6.898 0.548 459 HD1 TYR 62 HD2 TYR 62 -8.771 -4.729 -0.919 460 HD2 TYR 62 HD1 TYR 62 -5.912 -7.815 -1.636 461 HE1 TYR 62 HE2 TYR 62 -9.262 -4.598 -3.306 462 HE2 TYR 62 HE1 TYR 62 -6.408 -7.713 -4.038 463 HH TYR 62 HH TYR 62 -8.138 -5.204 -5.461 464 H PHE 63 H PHE 63 -7.806 -6.092 3.282 465 HA PHE 63 HA PHE 63 -6.497 -8.395 4.582 466 HB2 PHE 63 2HB PHE 63 -6.820 -5.486 5.490 467 HB3 PHE 63 3HB PHE 63 -5.870 -6.715 6.317 468 HD1 PHE 63 HD1 PHE 63 -6.008 -4.495 3.359 469 HD2 PHE 63 HD2 PHE 63 -3.681 -7.414 5.461 470 HE1 PHE 63 HE1 PHE 63 -4.043 -3.918 1.992 471 HE2 PHE 63 HE2 PHE 63 -1.730 -6.825 4.091 472 HZ PHE 63 HZ PHE 63 -1.903 -5.087 2.358 473 H LYS 64 H LYS 64 -7.213 -8.006 7.246 474 HA LYS 64 HA LYS 64 -10.116 -8.620 7.226 475 HB2 LYS 64 2HB LYS 64 -9.567 -10.292 9.046 476 HB3 LYS 64 3HB LYS 64 -8.936 -10.697 7.454 477 HG2 LYS 64 2HG LYS 64 -6.698 -9.856 8.138 478 HG3 LYS 64 3HG LYS 64 -7.339 -9.508 9.749 479 HD2 LYS 64 2HD LYS 64 -7.813 -11.902 10.100 480 HD3 LYS 64 3HD LYS 64 -7.254 -12.270 8.464 481 HE2 LYS 64 2HE LYS 64 -4.986 -11.515 9.066 482 HE3 LYS 64 3HE LYS 64 -5.539 -11.124 10.697 483 HZ1 LYS 64 3HZ LYS 64 -5.419 -13.813 9.448 484 HZ2 LYS 64 1HZ LYS 64 -6.131 -13.498 10.948 485 HZ3 LYS 64 2HZ LYS 64 -4.475 -13.240 10.727 486 H HIS 65 H HIS 65 -9.259 -6.053 7.621 487 HA HIS 65 HA HIS 65 -10.226 -5.369 10.224 488 HB2 HIS 65 2HB HIS 65 -8.227 -4.187 11.075 489 HB3 HIS 65 3HB HIS 65 -7.852 -5.894 10.839 490 HD1 HIS 65 HD1 HIS 65 -6.807 -2.494 9.791 491 HD2 HIS 65 HD2 HIS 65 -6.159 -6.404 8.540 492 HE1 HIS 65 HE1 HIS 65 -4.812 -2.402 8.274 493 HE2 HIS 65 HE2 HIS 65 -4.379 -4.783 7.621 494 H ASN 66 H ASN 66 -10.211 -2.938 10.469 495 HA ASN 66 HA ASN 66 -10.570 -1.613 7.842 496 HB2 ASN 66 2HB ASN 66 -11.869 -0.897 10.515 497 HB3 ASN 66 3HB ASN 66 -12.117 -0.053 8.989 498 HD21 ASN 66 1HD2 ASN 66 -13.552 -0.859 7.519 499 HD22 ASN 66 2HD2 ASN 66 -14.540 -2.244 7.815 500 H ASN 67 H ASN 67 -9.039 -1.408 11.009 501 HA ASN 67 HA ASN 67 -8.346 1.326 11.028 502 HB2 ASN 67 2HB ASN 67 -8.347 -0.016 13.078 503 HB3 ASN 67 3HB ASN 67 -7.053 -1.036 12.461 504 HD21 ASN 67 1HD2 ASN 67 -7.835 2.206 13.599 505 HD22 ASN 67 2HD2 ASN 67 -6.220 2.646 14.025 506 H MET 68 H MET 68 -6.736 2.481 10.089 507 HA MET 68 HA MET 68 -4.950 1.133 8.183 508 HB2 MET 68 2HB MET 68 -6.254 3.101 7.372 509 HB3 MET 68 3HB MET 68 -5.422 4.129 8.530 510 HG2 MET 68 2HG MET 68 -3.279 3.616 7.380 511 HG3 MET 68 3HG MET 68 -4.167 2.629 6.214 512 HE1 MET 68 3HE MET 68 -3.177 5.645 4.041 513 HE2 MET 68 1HE MET 68 -3.156 3.895 4.248 514 HE3 MET 68 2HE MET 68 -2.207 4.922 5.326 515 H ALA 69 H ALA 69 -4.782 2.713 11.278 516 HA ALA 69 HA ALA 69 -2.106 3.577 11.353 517 HB1 ALA 69 3HB ALA 69 -3.813 2.465 13.608 518 HB2 ALA 69 1HB ALA 69 -3.772 4.146 13.068 519 HB3 ALA 69 2HB ALA 69 -2.343 3.423 13.808 520 H SER 70 H SER 70 -3.525 0.412 11.988 521 HA SER 70 HA SER 70 -1.201 -1.006 12.754 522 HB2 SER 70 2HB SER 70 -3.557 -1.724 13.217 523 HB3 SER 70 3HB SER 70 -3.774 -2.068 11.503 524 HG SER 70 HG SER 70 -1.571 -3.244 12.735 525 H PHE 71 H PHE 71 -2.796 -0.444 9.644 526 HA PHE 71 HA PHE 71 -1.347 -2.229 8.003 527 HB2 PHE 71 2HB PHE 71 -3.472 -1.350 7.254 528 HB3 PHE 71 3HB PHE 71 -2.933 0.310 7.440 529 HD1 PHE 71 HD1 PHE 71 -2.246 -2.789 5.417 530 HD2 PHE 71 HD2 PHE 71 -2.167 1.495 5.542 531 HE1 PHE 71 HE1 PHE 71 -1.680 -2.715 3.022 532 HE2 PHE 71 HE2 PHE 71 -1.595 1.551 3.151 533 HZ PHE 71 HZ PHE 71 -1.351 -0.551 1.893 534 H VAL 72 H VAL 72 -0.915 1.258 8.625 535 HA VAL 72 HA VAL 72 1.419 1.660 7.089 536 HB VAL 72 HB VAL 72 0.399 3.246 9.493 537 HG11 VAL 72 1HG1 VAL 72 2.761 3.774 9.049 538 HG12 VAL 72 2HG1 VAL 72 1.728 5.137 8.616 539 HG13 VAL 72 3HG1 VAL 72 2.386 4.094 7.353 540 HG21 VAL 72 3HG2 VAL 72 -1.266 3.130 7.677 541 HG22 VAL 72 1HG2 VAL 72 -0.066 3.716 6.522 542 HG23 VAL 72 2HG2 VAL 72 -0.622 4.766 7.830 543 H ARG 73 H ARG 73 0.953 0.761 10.545 544 HA ARG 73 HA ARG 73 3.560 0.980 11.501 545 HB2 ARG 73 2HB ARG 73 1.686 0.486 13.004 546 HB3 ARG 73 3HB ARG 73 1.422 -1.070 12.224 547 HG2 ARG 73 2HG ARG 73 3.732 -1.769 13.028 548 HG3 ARG 73 3HG ARG 73 3.795 -0.271 13.957 549 HD2 ARG 73 2HD ARG 73 1.889 -0.973 15.302 550 HD3 ARG 73 3HD ARG 73 1.647 -2.400 14.288 551 HE ARG 73 HE ARG 73 3.636 -2.033 16.382 552 HH11 ARG 73 1HH1 ARG 73 2.675 -4.024 13.630 553 HH12 ARG 73 2HH1 ARG 73 3.608 -5.388 14.144 554 HH21 ARG 73 1HH2 ARG 73 4.867 -3.840 17.029 555 HH22 ARG 73 2HH2 ARG 73 4.855 -5.287 16.077 556 H GLN 74 H GLN 74 2.019 -1.712 9.770 557 HA GLN 74 HA GLN 74 4.142 -3.565 9.915 558 HB2 GLN 74 2HB GLN 74 2.032 -3.333 7.730 559 HB3 GLN 74 3HB GLN 74 3.025 -4.748 8.060 560 HG2 GLN 74 2HG GLN 74 0.806 -3.604 9.770 561 HG3 GLN 74 3HG GLN 74 0.835 -5.160 8.949 562 HE21 GLN 74 1HE2 GLN 74 2.150 -6.826 9.820 563 HE22 GLN 74 2HE2 GLN 74 2.681 -6.796 11.460 564 H LEU 75 H LEU 75 3.286 -1.125 7.446 565 HA LEU 75 HA LEU 75 5.285 -1.688 5.558 566 HB2 LEU 75 2HB LEU 75 3.809 0.888 6.210 567 HB3 LEU 75 3HB LEU 75 4.830 0.695 4.791 568 HG LEU 75 HG LEU 75 2.445 -1.128 5.304 569 HD11 LEU 75 1HD1 LEU 75 1.609 1.173 5.222 570 HD12 LEU 75 2HD1 LEU 75 1.102 0.242 3.815 571 HD13 LEU 75 3HD1 LEU 75 2.416 1.417 3.669 572 HD21 LEU 75 3HD2 LEU 75 4.086 -1.972 3.705 573 HD22 LEU 75 1HD2 LEU 75 3.987 -0.473 2.774 574 HD23 LEU 75 2HD2 LEU 75 2.586 -1.545 2.885 575 H ASN 76 H ASN 76 5.348 0.452 8.425 576 HA ASN 76 HA ASN 76 7.927 1.523 8.108 577 HB2 ASN 76 2HB ASN 76 6.336 0.943 10.634 578 HB3 ASN 76 3HB ASN 76 7.920 1.710 10.680 579 HD21 ASN 76 1HD2 ASN 76 4.561 2.157 9.980 580 HD22 ASN 76 2HD2 ASN 76 4.642 3.854 9.683 581 H MET 77 H MET 77 6.890 -1.562 9.581 582 HA MET 77 HA MET 77 9.497 -2.383 10.452 583 HB2 MET 77 2HB MET 77 7.105 -4.160 9.815 584 HB3 MET 77 3HB MET 77 8.512 -4.614 10.770 585 HG2 MET 77 2HG MET 77 7.846 -2.847 12.437 586 HG3 MET 77 3HG MET 77 6.358 -2.623 11.517 587 HE1 MET 77 3HE MET 77 4.852 -4.935 10.871 588 HE2 MET 77 1HE MET 77 4.962 -6.408 11.835 589 HE3 MET 77 2HE MET 77 6.241 -6.006 10.691 590 H TYR 78 H TYR 78 7.678 -2.741 7.455 591 HA TYR 78 HA TYR 78 9.567 -4.583 6.218 592 HB2 TYR 78 2HB TYR 78 6.993 -3.250 5.287 593 HB3 TYR 78 3HB TYR 78 8.022 -4.117 4.156 594 HD1 TYR 78 HD1 TYR 78 8.552 -6.601 4.698 595 HD2 TYR 78 HD2 TYR 78 5.340 -4.481 6.540 596 HE1 TYR 78 HE1 TYR 78 7.478 -8.726 5.278 597 HE2 TYR 78 HE2 TYR 78 4.266 -6.609 7.132 598 HH TYR 78 HH TYR 78 5.885 -9.644 6.797 599 H GLY 79 H GLY 79 9.745 -1.365 6.908 600 HA2 GLY 79 2HA GLY 79 11.431 0.085 6.432 601 HA3 GLY 79 3HA GLY 79 12.107 -1.108 5.338 602 H PHE 80 H PHE 80 8.822 0.010 4.850 603 HA PHE 80 HA PHE 80 9.433 1.198 2.295 604 HB2 PHE 80 2HB PHE 80 6.875 1.008 3.946 605 HB3 PHE 80 3HB PHE 80 6.937 1.980 2.478 606 HD1 PHE 80 HD1 PHE 80 7.329 -1.510 3.767 607 HD2 PHE 80 HD2 PHE 80 6.711 0.970 0.329 608 HE1 PHE 80 HE1 PHE 80 6.813 -3.500 2.411 609 HE2 PHE 80 HE2 PHE 80 6.200 -1.026 -1.013 610 HZ PHE 80 HZ PHE 80 6.250 -3.260 0.024 611 H ARG 81 H ARG 81 9.305 3.400 1.750 612 HA ARG 81 HA ARG 81 9.782 5.314 3.922 613 HB2 ARG 81 2HB ARG 81 11.475 5.167 2.098 614 HB3 ARG 81 3HB ARG 81 10.236 5.529 0.907 615 HG2 ARG 81 2HG ARG 81 11.304 7.587 1.154 616 HG3 ARG 81 3HG ARG 81 9.917 7.762 2.226 617 HD2 ARG 81 2HD ARG 81 12.791 7.190 3.003 618 HD3 ARG 81 3HD ARG 81 11.881 8.661 3.309 619 HE ARG 81 HE ARG 81 10.481 7.319 4.860 620 HH11 ARG 81 1HH1 ARG 81 13.752 6.222 4.146 621 HH12 ARG 81 2HH1 ARG 81 13.913 5.335 5.624 622 HH21 ARG 81 1HH2 ARG 81 10.689 6.110 6.781 623 HH22 ARG 81 2HH2 ARG 81 12.166 5.275 7.125 624 H LYS 82 H LYS 82 8.074 6.517 4.538 625 HA LYS 82 HA LYS 82 5.672 6.834 2.948 626 HB2 LYS 82 2HB LYS 82 5.775 6.478 5.484 627 HB3 LYS 82 3HB LYS 82 6.409 8.103 5.630 628 HG2 LYS 82 2HG LYS 82 3.696 7.496 4.421 629 HG3 LYS 82 3HG LYS 82 3.936 7.765 6.146 630 HD2 LYS 82 2HD LYS 82 4.910 10.042 5.542 631 HD3 LYS 82 3HD LYS 82 4.374 9.754 3.883 632 HE2 LYS 82 2HE LYS 82 2.732 11.115 5.062 633 HE3 LYS 82 3HE LYS 82 2.038 9.534 4.714 634 HZ1 LYS 82 3HZ LYS 82 1.553 10.309 6.973 635 HZ2 LYS 82 1HZ LYS 82 3.203 10.342 7.329 636 HZ3 LYS 82 2HZ LYS 82 2.443 8.872 6.991 637 H VAL 83 H VAL 83 5.368 8.496 1.562 638 HA VAL 83 HA VAL 83 6.834 11.045 1.880 639 HB VAL 83 HB VAL 83 6.217 9.637 -0.775 640 HG11 VAL 83 1HG1 VAL 83 6.048 12.073 -0.992 641 HG12 VAL 83 2HG1 VAL 83 7.478 11.482 -1.839 642 HG13 VAL 83 3HG1 VAL 83 7.649 12.269 -0.269 643 HG21 VAL 83 3HG2 VAL 83 8.107 8.535 0.353 644 HG22 VAL 83 1HG2 VAL 83 8.924 10.091 0.539 645 HG23 VAL 83 2HG2 VAL 83 8.661 9.418 -1.072 646 H VAL 84 H VAL 84 5.290 12.550 2.346 647 HA VAL 84 HA VAL 84 2.514 12.084 1.442 648 HB VAL 84 HB VAL 84 2.775 12.289 3.890 649 HG11 VAL 84 1HG1 VAL 84 3.363 14.400 4.992 650 HG12 VAL 84 2HG1 VAL 84 3.764 15.112 3.428 651 HG13 VAL 84 3HG1 VAL 84 4.717 13.762 4.050 652 HG21 VAL 84 3HG2 VAL 84 0.997 13.955 4.294 653 HG22 VAL 84 1HG2 VAL 84 0.654 12.956 2.876 654 HG23 VAL 84 2HG2 VAL 84 1.243 14.607 2.672 655 H HIS 85 H HIS 85 1.699 13.375 -0.086 656 HA HIS 85 HA HIS 85 3.360 15.591 -1.114 657 HB2 HIS 85 2HB HIS 85 1.127 13.998 -2.431 658 HB3 HIS 85 3HB HIS 85 1.966 15.344 -3.198 659 HD1 HIS 85 HD1 HIS 85 3.808 14.613 -4.697 660 HD2 HIS 85 HD2 HIS 85 3.228 11.891 -1.611 661 HE1 HIS 85 HE1 HIS 85 5.460 12.768 -5.092 662 HE2 HIS 85 HE2 HIS 85 5.054 11.119 -3.249 663 H ILE 86 H ILE 86 0.270 14.921 0.331 664 HA ILE 86 HA ILE 86 -0.641 17.694 0.035 665 HB ILE 86 HB ILE 86 -1.982 15.262 1.281 666 HG12 ILE 86 2HG1 ILE 86 -1.902 15.109 -1.157 667 HG13 ILE 86 3HG1 ILE 86 -3.550 15.451 -0.662 668 HG21 ILE 86 1HG2 ILE 86 -3.101 18.067 0.959 669 HG22 ILE 86 2HG2 ILE 86 -2.735 17.251 2.482 670 HG23 ILE 86 3HG2 ILE 86 -4.033 16.650 1.448 671 HD11 ILE 86 3HD1 ILE 86 -3.229 17.805 -1.306 672 HD12 ILE 86 1HD1 ILE 86 -2.979 16.679 -2.639 673 HD13 ILE 86 2HD1 ILE 86 -1.591 17.412 -1.841 674 H GLU 87 H GLU 87 0.595 18.917 1.293 675 HA GLU 87 HA GLU 87 1.519 18.169 3.922 676 HB2 GLU 87 2HB GLU 87 1.709 20.828 2.440 677 HB3 GLU 87 3HB GLU 87 2.594 20.404 3.903 678 HG2 GLU 87 2HG GLU 87 3.783 18.617 2.670 679 HG3 GLU 87 3HG GLU 87 2.889 19.027 1.209 680 H GLN 88 H GLN 88 0.631 18.703 5.861 681 HA GLN 88 HA GLN 88 -2.041 19.643 6.096 682 HB2 GLN 88 2HB GLN 88 0.120 19.262 8.221 683 HB3 GLN 88 3HB GLN 88 -1.566 19.626 8.588 684 HG2 GLN 88 2HG GLN 88 -2.282 17.516 7.576 685 HG3 GLN 88 3HG GLN 88 -0.625 17.158 7.094 686 HE21 GLN 88 1HE2 GLN 88 -2.479 15.637 8.820 687 HE22 GLN 88 2HE2 GLN 88 -1.642 15.416 10.312 688 H GLY 89 H GLY 89 -2.363 21.636 5.311 689 HA2 GLY 89 2HA GLY 89 -1.832 23.897 6.934 690 HA3 GLY 89 3HA GLY 89 -0.756 23.897 5.540 691 H GLY 90 H GLY 90 -2.318 25.951 5.787 692 HA2 GLY 90 2HA GLY 90 -4.768 25.731 4.236 693 HA3 GLY 90 3HA GLY 90 -4.039 27.206 4.854 694 H LEU 91 H LEU 91 -3.260 24.624 2.548 695 HA LEU 91 HA LEU 91 -1.901 26.536 0.740 696 HB2 LEU 91 2HB LEU 91 -1.662 23.504 0.913 697 HB3 LEU 91 3HB LEU 91 -0.691 24.556 -0.107 698 HG LEU 91 HG LEU 91 -0.620 24.477 2.942 699 HD11 LEU 91 1HD1 LEU 91 0.384 22.486 1.934 700 HD12 LEU 91 2HD1 LEU 91 1.604 23.501 2.697 701 HD13 LEU 91 3HD1 LEU 91 1.434 23.498 0.938 702 HD21 LEU 91 3HD2 LEU 91 -0.153 26.733 2.131 703 HD22 LEU 91 1HD2 LEU 91 1.077 26.111 1.026 704 HD23 LEU 91 2HD2 LEU 91 1.307 25.991 2.775 705 H VAL 92 H VAL 92 -1.993 25.688 -1.661 706 HA VAL 92 HA VAL 92 -4.750 25.393 -2.501 707 HB VAL 92 HB VAL 92 -2.951 26.723 -3.747 708 HG11 VAL 92 1HG1 VAL 92 -1.124 25.107 -3.706 709 HG12 VAL 92 2HG1 VAL 92 -1.509 25.570 -5.364 710 HG13 VAL 92 3HG1 VAL 92 -2.044 24.010 -4.738 711 HG21 VAL 92 3HG2 VAL 92 -3.835 26.247 -6.003 712 HG22 VAL 92 1HG2 VAL 92 -5.123 26.280 -4.792 713 HG23 VAL 92 2HG2 VAL 92 -4.533 24.737 -5.411 714 H LYS 93 H LYS 93 -2.492 23.194 -1.371 715 HA LYS 93 HA LYS 93 -3.154 20.822 -2.774 716 HB2 LYS 93 2HB LYS 93 -2.186 21.232 0.088 717 HB3 LYS 93 3HB LYS 93 -2.351 19.656 -0.675 718 HG2 LYS 93 2HG LYS 93 -0.465 21.859 -1.572 719 HG3 LYS 93 3HG LYS 93 -0.017 20.419 -0.651 720 HD2 LYS 93 2HD LYS 93 -0.764 18.994 -2.543 721 HD3 LYS 93 3HD LYS 93 -1.174 20.445 -3.463 722 HE2 LYS 93 2HE LYS 93 1.602 19.662 -2.514 723 HE3 LYS 93 3HE LYS 93 0.991 19.527 -4.162 724 HZ1 LYS 93 3HZ LYS 93 0.771 21.939 -4.235 725 HZ2 LYS 93 1HZ LYS 93 2.359 21.487 -3.891 726 HZ3 LYS 93 2HZ LYS 93 1.366 22.065 -2.659 727 HA PRO 94 HA PRO 94 -7.318 20.316 -0.905 728 HB2 PRO 94 2HB PRO 94 -8.058 18.027 -2.174 729 HB3 PRO 94 3HB PRO 94 -7.958 19.572 -3.049 730 HG2 PRO 94 2HG PRO 94 -5.945 17.350 -2.938 731 HG3 PRO 94 3HG PRO 94 -6.543 18.239 -4.361 732 HD2 PRO 94 2HD PRO 94 -4.173 18.859 -3.136 733 HD3 PRO 94 3HD PRO 94 -5.164 20.085 -3.945 734 H GLU 95 H GLU 95 -8.016 19.169 0.897 735 HA GLU 95 HA GLU 95 -5.812 18.248 2.481 736 HB2 GLU 95 2HB GLU 95 -7.440 18.303 4.378 737 HB3 GLU 95 3HB GLU 95 -7.362 19.801 3.459 738 HG2 GLU 95 2HG GLU 95 -9.449 19.112 2.253 739 HG3 GLU 95 3HG GLU 95 -9.543 17.697 3.301 740 H ARG 96 H ARG 96 -7.588 16.413 0.436 741 HA ARG 96 HA ARG 96 -7.849 13.977 1.885 742 HB2 ARG 96 2HB ARG 96 -7.842 12.883 -0.367 743 HB3 ARG 96 3HB ARG 96 -8.971 14.224 -0.261 744 HG2 ARG 96 2HG ARG 96 -7.487 15.653 -1.541 745 HG3 ARG 96 3HG ARG 96 -6.229 14.418 -1.538 746 HD2 ARG 96 2HD ARG 96 -7.843 12.923 -2.822 747 HD3 ARG 96 3HD ARG 96 -8.901 14.328 -2.976 748 HE ARG 96 HE ARG 96 -6.299 14.984 -3.857 749 HH11 ARG 96 1HH1 ARG 96 -9.110 13.135 -4.922 750 HH12 ARG 96 2HH1 ARG 96 -8.734 13.297 -6.604 751 HH21 ARG 96 1HH2 ARG 96 -5.771 15.127 -6.059 752 HH22 ARG 96 2HH2 ARG 96 -6.825 14.436 -7.253 753 H ASP 97 H ASP 97 -6.035 13.666 3.165 754 HA ASP 97 HA ASP 97 -3.399 13.718 2.815 755 HB2 ASP 97 2HB ASP 97 -4.963 11.423 4.044 756 HB3 ASP 97 3HB ASP 97 -3.212 11.531 4.152 757 H ASP 98 H ASP 98 -2.271 13.336 1.004 758 HA ASP 98 HA ASP 98 -2.575 10.832 -0.495 759 HB2 ASP 98 2HB ASP 98 -2.516 12.839 -1.897 760 HB3 ASP 98 3HB ASP 98 -1.003 13.356 -1.163 761 H THR 99 H THR 99 -1.353 9.231 0.201 762 HA THR 99 HA THR 99 1.273 9.748 1.449 763 HB THR 99 HB THR 99 -0.818 7.658 2.215 764 HG1 THR 99 HG1 THR 99 -1.087 9.957 2.861 765 HG21 THR 99 3HG2 THR 99 0.712 7.173 4.125 766 HG22 THR 99 1HG2 THR 99 1.919 8.217 3.400 767 HG23 THR 99 2HG2 THR 99 1.427 6.738 2.566 768 H GLU 100 H GLU 100 2.783 9.012 0.137 769 HA GLU 100 HA GLU 100 2.290 6.739 -1.676 770 HB2 GLU 100 2HB GLU 100 2.841 8.768 -2.894 771 HB3 GLU 100 3HB GLU 100 4.258 9.062 -1.887 772 HG2 GLU 100 2HG GLU 100 5.333 7.022 -2.814 773 HG3 GLU 100 3HG GLU 100 3.898 6.719 -3.796 774 H PHE 101 H PHE 101 3.058 4.902 -0.825 775 HA PHE 101 HA PHE 101 5.506 4.907 0.805 776 HB2 PHE 101 2HB PHE 101 3.580 2.635 0.169 777 HB3 PHE 101 3HB PHE 101 4.970 2.514 1.238 778 HD1 PHE 101 HD1 PHE 101 4.982 3.903 3.389 779 HD2 PHE 101 HD2 PHE 101 1.459 3.392 0.999 780 HE1 PHE 101 HE1 PHE 101 3.575 4.534 5.309 781 HE2 PHE 101 HE2 PHE 101 0.066 4.030 2.924 782 HZ PHE 101 HZ PHE 101 1.123 4.602 5.078 783 H GLN 102 H GLN 102 7.378 4.488 -0.122 784 HA GLN 102 HA GLN 102 7.514 3.111 -2.730 785 HB2 GLN 102 2HB GLN 102 9.326 4.677 -3.400 786 HB3 GLN 102 3HB GLN 102 7.787 5.495 -3.164 787 HG2 GLN 102 2HG GLN 102 8.532 6.399 -1.026 788 HG3 GLN 102 3HG GLN 102 10.026 5.462 -1.117 789 HE21 GLN 102 1HE2 GLN 102 11.330 7.300 -0.995 790 HE22 GLN 102 2HE2 GLN 102 11.477 8.425 -2.299 791 H HIS 103 H HIS 103 9.241 1.775 -3.042 792 HA HIS 103 HA HIS 103 11.427 1.531 -1.168 793 HB2 HIS 103 2HB HIS 103 9.462 0.324 -0.054 794 HB3 HIS 103 3HB HIS 103 9.455 -0.807 -1.402 795 HD1 HIS 103 HD1 HIS 103 11.028 -2.775 -1.209 796 HD2 HIS 103 HD2 HIS 103 11.879 0.224 1.532 797 HE1 HIS 103 HE1 HIS 103 12.888 -3.653 0.226 798 HE2 HIS 103 HE2 HIS 103 13.367 -1.840 1.881 799 HA PRO 104 HA PRO 104 13.116 0.440 -5.186 800 HB2 PRO 104 2HB PRO 104 15.536 -0.682 -4.457 801 HB3 PRO 104 3HB PRO 104 15.208 1.063 -4.391 802 HG2 PRO 104 2HG PRO 104 15.044 -0.956 -2.155 803 HG3 PRO 104 3HG PRO 104 15.835 0.642 -2.165 804 HD2 PRO 104 2HD PRO 104 13.410 0.337 -1.070 805 HD3 PRO 104 3HD PRO 104 13.790 1.801 -2.010 806 H CYS 105 H CYS 105 12.645 -2.031 -2.760 807 HA CYS 105 HA CYS 105 12.908 -4.226 -4.707 808 HB2 CYS 105 2HB CYS 105 12.290 -4.478 -1.746 809 HB3 CYS 105 3HB CYS 105 12.907 -5.724 -2.833 810 HG CYS 105 HG CYS 105 15.188 -3.608 -3.128 811 H PHE 106 H PHE 106 10.566 -2.090 -4.000 812 HA PHE 106 HA PHE 106 8.372 -4.012 -4.568 813 HB2 PHE 106 2HB PHE 106 8.064 -2.659 -2.435 814 HB3 PHE 106 3HB PHE 106 8.117 -1.189 -3.396 815 HD1 PHE 106 HD2 PHE 106 6.196 -0.640 -4.955 816 HD2 PHE 106 HD1 PHE 106 6.063 -4.044 -2.360 817 HE1 PHE 106 HE2 PHE 106 3.771 -0.829 -5.317 818 HE2 PHE 106 HE1 PHE 106 3.635 -4.220 -2.727 819 HZ PHE 106 HZ PHE 106 2.488 -2.618 -4.209 820 H LEU 107 H LEU 107 8.567 -4.062 -6.786 821 HA LEU 107 HA LEU 107 8.008 -1.539 -8.233 822 HB2 LEU 107 2HB LEU 107 9.697 -3.837 -9.295 823 HB3 LEU 107 3HB LEU 107 9.363 -2.330 -10.123 824 HG LEU 107 HG LEU 107 11.057 -2.589 -7.597 825 HD11 LEU 107 1HD1 LEU 107 11.957 -2.215 -10.469 826 HD12 LEU 107 2HD1 LEU 107 12.148 -3.674 -9.494 827 HD13 LEU 107 3HD1 LEU 107 12.998 -2.200 -9.039 828 HD21 LEU 107 3HD2 LEU 107 10.621 -0.190 -9.412 829 HD22 LEU 107 1HD2 LEU 107 11.755 -0.274 -8.060 830 HD23 LEU 107 2HD2 LEU 107 10.023 -0.379 -7.760 831 H ARG 108 H ARG 108 6.804 -1.900 -10.254 832 HA ARG 108 HA ARG 108 4.600 -3.685 -9.869 833 HB2 ARG 108 2HB ARG 108 4.185 -1.500 -10.802 834 HB3 ARG 108 3HB ARG 108 5.329 -1.769 -12.110 835 HG2 ARG 108 2HG ARG 108 3.838 -3.447 -13.101 836 HG3 ARG 108 3HG ARG 108 2.704 -3.257 -11.761 837 HD2 ARG 108 2HD ARG 108 2.007 -2.030 -13.796 838 HD3 ARG 108 3HD ARG 108 2.245 -0.965 -12.407 839 HE ARG 108 HE ARG 108 4.646 -0.890 -13.709 840 HH11 ARG 108 1HH1 ARG 108 1.339 -0.305 -14.759 841 HH12 ARG 108 2HH1 ARG 108 1.798 0.855 -15.965 842 HH21 ARG 108 1HH2 ARG 108 5.247 0.652 -15.277 843 HH22 ARG 108 2HH2 ARG 108 4.026 1.397 -16.256 844 H GLY 109 H GLY 109 4.326 -5.682 -10.636 845 HA2 GLY 109 2HA GLY 109 4.594 -7.643 -11.792 846 HA3 GLY 109 3HA GLY 109 5.364 -6.724 -13.079 847 H GLN 110 H GLN 110 6.466 -6.707 -9.768 848 HA GLN 110 HA GLN 110 8.834 -8.348 -10.404 849 HB2 GLN 110 2HB GLN 110 9.141 -5.776 -10.788 850 HB3 GLN 110 3HB GLN 110 9.045 -5.631 -9.044 851 HG2 GLN 110 2HG GLN 110 11.342 -5.640 -9.480 852 HG3 GLN 110 3HG GLN 110 11.008 -7.294 -8.970 853 HE21 GLN 110 1HE2 GLN 110 13.242 -6.308 -10.540 854 HE22 GLN 110 2HE2 GLN 110 13.192 -7.168 -12.037 855 H GLU 111 H GLU 111 6.583 -9.042 -9.049 856 HA GLU 111 HA GLU 111 6.562 -8.544 -6.248 857 HB2 GLU 111 2HB GLU 111 4.765 -10.268 -6.150 858 HB3 GLU 111 3HB GLU 111 4.469 -9.030 -7.354 859 HG2 GLU 111 2HG GLU 111 5.622 -11.738 -8.063 860 HG3 GLU 111 3HG GLU 111 3.888 -11.436 -7.983 861 H GLN 112 H GLN 112 8.470 -10.727 -8.061 862 HA GLN 112 HA GLN 112 8.946 -12.741 -6.130 863 HB2 GLN 112 2HB GLN 112 10.987 -13.282 -7.312 864 HB3 GLN 112 3HB GLN 112 9.733 -12.944 -8.487 865 HG2 GLN 112 2HG GLN 112 11.616 -10.721 -7.742 866 HG3 GLN 112 3HG GLN 112 12.216 -12.020 -8.765 867 HE21 GLN 112 1HE2 GLN 112 12.534 -10.552 -10.461 868 HE22 GLN 112 2HE2 GLN 112 11.213 -9.929 -11.387 869 H LEU 113 H LEU 113 9.796 -9.421 -6.127 870 HA LEU 113 HA LEU 113 12.055 -9.699 -4.297 871 HB2 LEU 113 2HB LEU 113 10.754 -7.207 -5.443 872 HB3 LEU 113 3HB LEU 113 12.205 -7.230 -4.455 873 HG LEU 113 HG LEU 113 11.901 -8.291 -7.288 874 HD11 LEU 113 1HD1 LEU 113 13.552 -6.559 -7.837 875 HD12 LEU 113 2HD1 LEU 113 13.579 -6.029 -6.154 876 HD13 LEU 113 3HD1 LEU 113 12.105 -5.862 -7.112 877 HD21 LEU 113 3HD2 LEU 113 14.299 -8.874 -7.198 878 HD22 LEU 113 1HD2 LEU 113 13.345 -9.835 -6.068 879 HD23 LEU 113 2HD2 LEU 113 14.330 -8.497 -5.473 880 H LEU 114 H LEU 114 8.681 -9.578 -3.970 881 HA LEU 114 HA LEU 114 8.404 -7.924 -1.672 882 HB2 LEU 114 2HB LEU 114 6.683 -10.244 -2.606 883 HB3 LEU 114 3HB LEU 114 6.237 -9.133 -1.323 884 HG LEU 114 HG LEU 114 6.586 -8.408 -4.262 885 HD11 LEU 114 1HD1 LEU 114 4.063 -8.599 -2.582 886 HD12 LEU 114 2HD1 LEU 114 4.563 -9.727 -3.846 887 HD13 LEU 114 3HD1 LEU 114 4.157 -8.065 -4.265 888 HD21 LEU 114 3HD2 LEU 114 7.243 -6.528 -2.850 889 HD22 LEU 114 1HD2 LEU 114 5.735 -6.650 -1.939 890 HD23 LEU 114 2HD2 LEU 114 5.708 -6.193 -3.645 891 H GLU 115 H GLU 115 9.218 -11.353 -2.076 892 HA GLU 115 HA GLU 115 9.228 -11.976 0.736 893 HB2 GLU 115 2HB GLU 115 10.344 -14.059 0.126 894 HB3 GLU 115 3HB GLU 115 8.959 -13.763 -0.914 895 HG2 GLU 115 2HG GLU 115 10.394 -13.130 -2.763 896 HG3 GLU 115 3HG GLU 115 11.827 -13.192 -1.735 897 H ASN 116 H ASN 116 11.289 -10.166 -1.203 898 HA ASN 116 HA ASN 116 13.685 -10.590 0.457 899 HB2 ASN 116 2HB ASN 116 13.256 -9.021 -2.132 900 HB3 ASN 116 3HB ASN 116 14.777 -9.072 -1.245 901 HD21 ASN 116 1HD2 ASN 116 12.518 -10.973 -3.146 902 HD22 ASN 116 2HD2 ASN 116 13.625 -12.227 -3.549 903 H ILE 117 H ILE 117 10.927 -8.560 0.106 904 HA ILE 117 HA ILE 117 12.016 -6.345 1.684 905 HB ILE 117 HB ILE 117 9.063 -6.875 1.058 906 HG12 ILE 117 2HG1 ILE 117 10.977 -5.074 -0.482 907 HG13 ILE 117 3HG1 ILE 117 10.315 -6.595 -1.064 908 HG21 ILE 117 1HG2 ILE 117 10.455 -4.314 1.942 909 HG22 ILE 117 2HG2 ILE 117 9.453 -5.346 2.966 910 HG23 ILE 117 3HG2 ILE 117 8.729 -4.493 1.604 911 HD11 ILE 117 3HD1 ILE 117 9.137 -4.767 -2.060 912 HD12 ILE 117 1HD1 ILE 117 8.762 -4.069 -0.484 913 HD13 ILE 117 2HD1 ILE 117 8.048 -5.613 -0.967 914 H LYS 118 H LYS 118 12.765 -8.043 3.253 915 HA LYS 118 HA LYS 118 10.984 -9.251 5.031 916 HB2 LYS 118 2HB LYS 118 13.231 -9.123 6.563 917 HB3 LYS 118 3HB LYS 118 12.951 -10.320 5.325 918 HG2 LYS 118 2HG LYS 118 15.185 -9.609 5.110 919 HG3 LYS 118 3HG LYS 118 14.314 -8.927 3.743 920 HD2 LYS 118 2HD LYS 118 14.744 -7.247 6.217 921 HD3 LYS 118 3HD LYS 118 16.089 -7.491 5.110 922 HE2 LYS 118 2HE LYS 118 14.734 -6.523 3.287 923 HE3 LYS 118 3HE LYS 118 13.407 -6.262 4.413 924 HZ1 LYS 118 3HZ LYS 118 16.104 -5.049 4.655 925 HZ2 LYS 118 1HZ LYS 118 14.795 -4.778 5.686 926 HZ3 LYS 118 2HZ LYS 118 14.729 -4.265 4.076 927 H ARG 119 H ARG 119 10.351 -8.813 7.094 928 HA ARG 119 HA ARG 119 10.004 -5.991 7.850 929 HB2 ARG 119 2HB ARG 119 8.542 -6.903 9.690 930 HB3 ARG 119 3HB ARG 119 7.999 -7.336 8.074 931 HG2 ARG 119 2HG ARG 119 8.876 -9.595 8.330 932 HG3 ARG 119 3HG ARG 119 9.574 -9.179 9.896 933 HD2 ARG 119 2HD ARG 119 6.589 -9.058 9.331 934 HD3 ARG 119 3HD ARG 119 7.399 -10.491 9.975 935 HE ARG 119 HE ARG 119 8.080 -8.281 11.576 936 HH11 ARG 119 1HH1 ARG 119 5.222 -10.255 10.924 937 HH12 ARG 119 2HH1 ARG 119 4.541 -9.986 12.497 938 HH21 ARG 119 1HH2 ARG 119 7.181 -7.983 13.641 939 HH22 ARG 119 2HH2 ARG 119 5.649 -8.704 14.028 940 H LYS 120 H LYS 120 11.793 -8.808 8.740 941 HA LYS 120 HA LYS 120 13.134 -7.513 11.024 942 HB2 LYS 120 2HB LYS 120 13.036 -10.404 10.041 943 HB3 LYS 120 3HB LYS 120 14.038 -9.872 11.385 944 HG2 LYS 120 2HG LYS 120 11.007 -9.679 11.295 945 HG3 LYS 120 3HG LYS 120 11.912 -10.961 12.099 946 HD2 LYS 120 2HD LYS 120 12.015 -8.001 12.820 947 HD3 LYS 120 3HD LYS 120 11.128 -9.249 13.698 948 HE2 LYS 120 2HE LYS 120 13.230 -10.389 14.267 949 HE3 LYS 120 3HE LYS 120 14.145 -9.205 13.329 950 HZ1 LYS 120 3HZ LYS 120 13.323 -7.484 14.853 951 HZ2 LYS 120 1HZ LYS 120 14.250 -8.656 15.646 952 HZ3 LYS 120 2HZ LYS 120 12.565 -8.672 15.783 953 H VAL 121 H VAL 121 15.577 -8.059 11.100 954 HA VAL 121 HA VAL 121 16.811 -7.535 8.458 955 HB VAL 121 HB VAL 121 17.297 -6.060 10.459 956 HG11 VAL 121 1HG1 VAL 121 18.857 -8.417 11.534 957 HG12 VAL 121 2HG1 VAL 121 17.389 -7.730 12.231 958 HG13 VAL 121 3HG1 VAL 121 18.874 -6.776 12.190 959 HG21 VAL 121 3HG2 VAL 121 18.821 -6.042 8.529 960 HG22 VAL 121 1HG2 VAL 121 19.762 -7.355 9.242 961 HG23 VAL 121 2HG2 VAL 121 19.703 -5.778 10.034 962 H THR 122 H THR 122 15.700 -10.081 9.037 963 HA THR 122 HA THR 122 17.519 -12.074 9.807 964 HB THR 122 HB THR 122 15.185 -12.600 9.892 965 HG1 THR 122 HG1 THR 122 15.752 -14.549 9.407 966 HG21 THR 122 3HG2 THR 122 14.294 -11.120 8.143 967 HG22 THR 122 1HG2 THR 122 13.703 -12.771 7.917 968 HG23 THR 122 2HG2 THR 122 14.994 -12.147 6.891 969 H SER 123 H SER 123 19.410 -12.252 8.876 970 HA SER 123 HA SER 123 19.940 -13.141 6.249 971 HB2 SER 123 2HB SER 123 21.215 -11.043 5.466 972 HB3 SER 123 3HB SER 123 19.459 -10.868 5.475 973 HG SER 123 HG SER 123 20.111 -10.099 7.831 974 H VAL 124 H VAL 124 22.282 -13.554 5.993 975 HA VAL 124 HA VAL 124 23.518 -14.339 8.427 976 HB VAL 124 HB VAL 124 25.482 -15.001 7.030 977 HG11 VAL 124 1HG1 VAL 124 22.796 -15.799 5.843 978 HG12 VAL 124 2HG1 VAL 124 23.561 -16.528 7.259 979 HG13 VAL 124 3HG1 VAL 124 24.310 -16.695 5.669 980 HG21 VAL 124 3HG2 VAL 124 25.427 -14.711 4.568 981 HG22 VAL 124 1HG2 VAL 124 25.486 -13.152 5.397 982 HG23 VAL 124 2HG2 VAL 124 23.966 -13.731 4.715 983 H SER 125 H SER 125 25.143 -13.477 9.649 984 HA SER 125 HA SER 125 25.705 -10.630 9.329 985 HB2 SER 125 2HB SER 125 26.389 -12.522 11.624 986 HB3 SER 125 3HB SER 125 26.540 -10.762 11.651 987 HG SER 125 HG SER 125 24.200 -10.769 11.173 Start of MODEL 18 1 H1 MET 1 1H MET 1 -3.236 -38.592 -36.817 2 H2 MET 1 2H MET 1 -3.674 -40.067 -36.120 3 H3 MET 1 3H MET 1 -4.490 -39.506 -37.491 4 HA MET 1 HA MET 1 -2.968 -41.254 -38.081 5 HB2 MET 1 2HB MET 1 -3.396 -39.378 -39.685 6 HB3 MET 1 3HB MET 1 -2.010 -38.519 -39.037 7 HG2 MET 1 2HG MET 1 -0.522 -40.304 -39.853 8 HG3 MET 1 3HG MET 1 -1.914 -41.170 -40.498 9 HE1 MET 1 3HE MET 1 -3.108 -38.735 -43.358 10 HE2 MET 1 1HE MET 1 -3.696 -38.731 -41.698 11 HE3 MET 1 2HE MET 1 -3.412 -40.262 -42.530 12 H GLY 2 H GLY 2 -1.501 -38.623 -36.260 13 HA2 GLY 2 2HA GLY 2 1.011 -40.118 -35.829 14 HA3 GLY 2 3HA GLY 2 0.702 -38.440 -35.386 15 H HIS 3 H HIS 3 1.727 -40.597 -33.678 16 HA HIS 3 HA HIS 3 -0.308 -41.435 -31.835 17 HB2 HIS 3 2HB HIS 3 2.718 -41.278 -31.394 18 HB3 HIS 3 3HB HIS 3 1.579 -42.147 -30.376 19 HD1 HIS 3 HD1 HIS 3 0.445 -44.319 -31.493 20 HD2 HIS 3 HD2 HIS 3 3.707 -42.721 -33.524 21 HE1 HIS 3 HE1 HIS 3 1.216 -46.120 -33.067 22 HE2 HIS 3 HE2 HIS 3 3.108 -45.085 -34.365 23 H HIS 4 H HIS 4 -1.454 -39.553 -31.309 24 HA HIS 4 HA HIS 4 -0.177 -37.162 -30.361 25 HB2 HIS 4 2HB HIS 4 -2.464 -36.275 -30.022 26 HB3 HIS 4 3HB HIS 4 -2.265 -36.977 -31.617 27 HD1 HIS 4 HD1 HIS 4 -5.029 -36.471 -30.295 28 HD2 HIS 4 HD2 HIS 4 -3.065 -40.133 -30.306 29 HE1 HIS 4 HE1 HIS 4 -6.825 -38.202 -30.036 30 HE2 HIS 4 HE2 HIS 4 -5.611 -40.404 -30.030 31 H HIS 5 H HIS 5 0.547 -36.756 -28.374 32 HA HIS 5 HA HIS 5 -0.900 -37.524 -25.993 33 HB2 HIS 5 2HB HIS 5 0.504 -39.573 -26.457 34 HB3 HIS 5 3HB HIS 5 1.952 -38.581 -26.333 35 HD1 HIS 5 HD1 HIS 5 -0.880 -39.947 -24.219 36 HD2 HIS 5 HD2 HIS 5 2.824 -38.125 -23.721 37 HE1 HIS 5 HE1 HIS 5 -0.359 -40.129 -21.770 38 HE2 HIS 5 HE2 HIS 5 1.978 -39.233 -21.549 39 H HIS 6 H HIS 6 -0.973 -35.600 -25.020 40 HA HIS 6 HA HIS 6 1.505 -34.207 -24.309 41 HB2 HIS 6 2HB HIS 6 0.691 -32.003 -25.011 42 HB3 HIS 6 3HB HIS 6 0.733 -33.080 -26.400 43 HD1 HIS 6 HD1 HIS 6 -1.721 -34.120 -27.045 44 HD2 HIS 6 HD2 HIS 6 -1.694 -30.691 -24.697 45 HE1 HIS 6 HE1 HIS 6 -4.029 -33.152 -27.229 46 HE2 HIS 6 HE2 HIS 6 -4.029 -31.194 -25.662 47 H HIS 7 H HIS 7 1.290 -32.856 -22.476 48 HA HIS 7 HA HIS 7 -1.308 -32.783 -21.061 49 HB2 HIS 7 2HB HIS 7 1.405 -33.467 -19.831 50 HB3 HIS 7 3HB HIS 7 0.021 -32.965 -18.870 51 HD1 HIS 7 HD1 HIS 7 -1.604 -34.738 -18.195 52 HD2 HIS 7 HD2 HIS 7 1.015 -36.065 -21.135 53 HE1 HIS 7 HE1 HIS 7 -1.986 -37.205 -18.367 54 HE2 HIS 7 HE2 HIS 7 -0.217 -38.008 -19.960 55 H HIS 8 H HIS 8 -1.688 -30.844 -19.936 56 HA HIS 8 HA HIS 8 0.484 -28.845 -19.804 57 HB2 HIS 8 2HB HIS 8 -1.147 -27.013 -20.324 58 HB3 HIS 8 3HB HIS 8 -0.877 -28.095 -21.678 59 HD1 HIS 8 HD1 HIS 8 -3.509 -26.989 -19.259 60 HD2 HIS 8 HD2 HIS 8 -3.132 -29.525 -22.525 61 HE1 HIS 8 HE1 HIS 8 -5.852 -27.587 -19.920 62 HE2 HIS 8 HE2 HIS 8 -5.591 -29.232 -21.806 63 H SER 9 H SER 9 0.825 -28.319 -17.754 64 HA SER 9 HA SER 9 -1.231 -28.913 -15.701 65 HB2 SER 9 2HB SER 9 0.586 -30.590 -15.738 66 HB3 SER 9 3HB SER 9 1.798 -29.318 -15.586 67 HG SER 9 HG SER 9 -0.258 -29.677 -13.670 68 H HIS 10 H HIS 10 -1.828 -27.156 -14.560 69 HA HIS 10 HA HIS 10 -0.184 -24.756 -14.365 70 HB2 HIS 10 2HB HIS 10 -2.905 -25.484 -13.199 71 HB3 HIS 10 3HB HIS 10 -2.057 -24.024 -12.709 72 HD1 HIS 10 HD1 HIS 10 -3.284 -22.163 -13.778 73 HD2 HIS 10 HD2 HIS 10 -2.732 -25.328 -16.399 74 HE1 HIS 10 HE1 HIS 10 -4.225 -21.388 -15.974 75 HE2 HIS 10 HE2 HIS 10 -3.686 -23.247 -17.581 76 H MET 11 H MET 11 1.689 -25.538 -13.329 77 HA MET 11 HA MET 11 1.431 -26.340 -10.493 78 HB2 MET 11 2HB MET 11 3.741 -26.475 -12.468 79 HB3 MET 11 3HB MET 11 4.037 -26.570 -10.735 80 HG2 MET 11 2HG MET 11 2.476 -28.521 -10.632 81 HG3 MET 11 3HG MET 11 2.374 -28.472 -12.397 82 HE1 MET 11 3HE MET 11 3.470 -30.844 -10.249 83 HE2 MET 11 1HE MET 11 4.708 -31.573 -11.272 84 HE3 MET 11 2HE MET 11 3.135 -31.159 -11.955 85 H ALA 12 H ALA 12 1.632 -24.890 -8.976 86 HA ALA 12 HA ALA 12 2.792 -22.220 -9.536 87 HB1 ALA 12 3HB ALA 12 1.368 -21.401 -7.669 88 HB2 ALA 12 1HB ALA 12 0.711 -23.028 -7.454 89 HB3 ALA 12 2HB ALA 12 0.400 -22.140 -8.946 90 H GLY 13 H GLY 13 4.828 -22.121 -8.782 91 HA2 GLY 13 2HA GLY 13 5.997 -23.717 -6.764 92 HA3 GLY 13 3HA GLY 13 6.650 -22.214 -7.395 93 HA PRO 14 HA PRO 14 4.179 -21.869 -3.083 94 HB2 PRO 14 2HB PRO 14 6.726 -22.714 -1.704 95 HB3 PRO 14 3HB PRO 14 5.039 -23.104 -1.299 96 HG2 PRO 14 2HG PRO 14 6.611 -24.944 -2.404 97 HG3 PRO 14 3HG PRO 14 4.901 -24.812 -2.884 98 HD2 PRO 14 2HD PRO 14 7.354 -23.840 -4.348 99 HD3 PRO 14 3HD PRO 14 5.896 -24.630 -4.991 100 H SER 15 H SER 15 4.278 -19.716 -3.720 101 HA SER 15 HA SER 15 6.619 -18.083 -3.624 102 HB2 SER 15 2HB SER 15 4.993 -16.205 -3.985 103 HB3 SER 15 3HB SER 15 4.735 -17.535 -5.122 104 HG SER 15 HG SER 15 3.362 -17.767 -2.754 105 H ASN 16 H ASN 16 7.416 -16.949 -1.931 106 HA ASN 16 HA ASN 16 6.458 -17.685 0.720 107 HB2 ASN 16 2HB ASN 16 8.964 -16.221 -0.206 108 HB3 ASN 16 3HB ASN 16 8.619 -16.626 1.471 109 HD21 ASN 16 1HD2 ASN 16 7.826 -18.849 -1.199 110 HD22 ASN 16 2HD2 ASN 16 9.061 -19.991 -0.803 111 H VAL 17 H VAL 17 5.916 -15.134 -1.366 112 HA VAL 17 HA VAL 17 5.821 -12.797 0.078 113 HB VAL 17 HB VAL 17 3.763 -13.780 -1.958 114 HG11 VAL 17 1HG1 VAL 17 3.241 -11.394 -2.363 115 HG12 VAL 17 2HG1 VAL 17 4.331 -10.929 -1.056 116 HG13 VAL 17 3HG1 VAL 17 2.874 -11.859 -0.700 117 HG21 VAL 17 3HG2 VAL 17 6.060 -13.799 -2.850 118 HG22 VAL 17 1HG2 VAL 17 6.275 -12.112 -2.375 119 HG23 VAL 17 2HG2 VAL 17 5.103 -12.535 -3.627 120 HA PRO 18 HA PRO 18 3.009 -14.000 3.520 121 HB2 PRO 18 2HB PRO 18 3.167 -11.018 4.016 122 HB3 PRO 18 3HB PRO 18 3.425 -12.366 5.148 123 HG2 PRO 18 2HG PRO 18 5.505 -11.012 4.234 124 HG3 PRO 18 3HG PRO 18 5.587 -12.785 4.388 125 HD2 PRO 18 2HD PRO 18 5.157 -11.132 1.896 126 HD3 PRO 18 3HD PRO 18 6.186 -12.564 2.135 127 H ALA 19 H ALA 19 0.803 -13.626 4.060 128 HA ALA 19 HA ALA 19 -0.992 -13.198 2.015 129 HB1 ALA 19 3HB ALA 19 -1.529 -12.874 4.989 130 HB2 ALA 19 1HB ALA 19 -1.558 -14.396 4.097 131 HB3 ALA 19 2HB ALA 19 -2.747 -13.143 3.739 132 H PHE 20 H PHE 20 0.002 -10.868 4.559 133 HA PHE 20 HA PHE 20 -1.473 -8.663 3.884 134 HB2 PHE 20 2HB PHE 20 -0.014 -8.770 5.874 135 HB3 PHE 20 3HB PHE 20 1.421 -8.729 4.857 136 HD1 PHE 20 HD2 PHE 20 -1.486 -6.723 6.045 137 HD2 PHE 20 HD1 PHE 20 2.283 -6.621 4.026 138 HE1 PHE 20 HE2 PHE 20 -1.500 -4.263 6.128 139 HE2 PHE 20 HE1 PHE 20 2.258 -4.168 4.114 140 HZ PHE 20 HZ PHE 20 0.370 -2.985 5.160 141 H LEU 21 H LEU 21 1.600 -9.714 2.358 142 HA LEU 21 HA LEU 21 1.810 -7.267 0.812 143 HB2 LEU 21 2HB LEU 21 3.580 -9.725 0.969 144 HB3 LEU 21 3HB LEU 21 3.897 -8.402 -0.141 145 HG LEU 21 HG LEU 21 3.883 -8.192 2.900 146 HD11 LEU 21 1HD1 LEU 21 6.300 -7.830 2.689 147 HD12 LEU 21 2HD1 LEU 21 6.202 -8.070 0.942 148 HD13 LEU 21 3HD1 LEU 21 5.837 -9.402 2.041 149 HD21 LEU 21 3HD2 LEU 21 4.703 -5.888 2.575 150 HD22 LEU 21 1HD2 LEU 21 3.092 -6.097 1.892 151 HD23 LEU 21 2HD2 LEU 21 4.500 -6.049 0.828 152 H THR 22 H THR 22 0.792 -10.626 0.174 153 HA THR 22 HA THR 22 0.615 -10.251 -2.663 154 HB THR 22 HB THR 22 0.783 -12.534 -1.669 155 HG1 THR 22 HG1 THR 22 -0.029 -12.384 -3.762 156 HG21 THR 22 3HG2 THR 22 -0.738 -12.284 0.255 157 HG22 THR 22 1HG2 THR 22 -1.194 -13.663 -0.746 158 HG23 THR 22 2HG2 THR 22 -2.117 -12.158 -0.835 159 H LYS 23 H LYS 23 -1.629 -9.745 0.032 160 HA LYS 23 HA LYS 23 -3.907 -9.088 -1.576 161 HB2 LYS 23 2HB LYS 23 -3.254 -8.331 1.303 162 HB3 LYS 23 3HB LYS 23 -4.802 -8.023 0.531 163 HG2 LYS 23 2HG LYS 23 -3.694 -10.826 0.772 164 HG3 LYS 23 3HG LYS 23 -4.574 -10.075 2.090 165 HD2 LYS 23 2HD LYS 23 -6.201 -11.354 0.988 166 HD3 LYS 23 3HD LYS 23 -6.494 -9.729 0.380 167 HE2 LYS 23 2HE LYS 23 -5.328 -10.299 -1.708 168 HE3 LYS 23 3HE LYS 23 -4.955 -11.905 -1.074 169 HZ1 LYS 23 3HZ LYS 23 -7.361 -12.316 -0.915 170 HZ2 LYS 23 1HZ LYS 23 -6.857 -12.035 -2.502 171 HZ3 LYS 23 2HZ LYS 23 -7.663 -10.820 -1.642 172 H LEU 24 H LEU 24 -1.275 -7.200 -0.074 173 HA LEU 24 HA LEU 24 -1.984 -4.635 -0.954 174 HB2 LEU 24 2HB LEU 24 -0.187 -4.988 0.685 175 HB3 LEU 24 3HB LEU 24 0.775 -5.850 -0.506 176 HG LEU 24 HG LEU 24 0.935 -3.689 -1.841 177 HD11 LEU 24 1HD1 LEU 24 -0.316 -2.428 0.614 178 HD12 LEU 24 2HD1 LEU 24 -1.016 -2.516 -1.006 179 HD13 LEU 24 3HD1 LEU 24 0.435 -1.557 -0.728 180 HD21 LEU 24 3HD2 LEU 24 2.091 -3.608 0.963 181 HD22 LEU 24 1HD2 LEU 24 2.655 -2.661 -0.416 182 HD23 LEU 24 2HD2 LEU 24 2.796 -4.417 -0.439 183 H TRP 25 H TRP 25 0.033 -7.143 -2.556 184 HA TRP 25 HA TRP 25 0.776 -5.895 -4.878 185 HB2 TRP 25 2HB TRP 25 1.601 -8.102 -4.227 186 HB3 TRP 25 3HB TRP 25 -0.003 -8.806 -4.387 187 HD1 TRP 25 HD1 TRP 25 -0.568 -9.852 -6.715 188 HE1 TRP 25 HE1 TRP 25 0.578 -9.884 -9.015 189 HE3 TRP 25 HE3 TRP 25 3.179 -6.475 -5.814 190 HZ2 TRP 25 HZ2 TRP 25 2.784 -8.671 -10.276 191 HZ3 TRP 25 HZ3 TRP 25 4.768 -5.967 -7.624 192 HH2 TRP 25 HH2 TRP 25 4.562 -7.048 -9.799 193 H THR 26 H THR 26 -2.098 -7.970 -4.463 194 HA THR 26 HA THR 26 -3.399 -7.509 -6.870 195 HB THR 26 HB THR 26 -4.738 -8.013 -4.170 196 HG1 THR 26 HG1 THR 26 -3.051 -9.543 -4.913 197 HG21 THR 26 3HG2 THR 26 -5.721 -8.634 -6.988 198 HG22 THR 26 1HG2 THR 26 -6.358 -7.352 -5.944 199 HG23 THR 26 2HG2 THR 26 -6.558 -9.043 -5.492 200 H LEU 27 H LEU 27 -3.666 -5.756 -3.790 201 HA LEU 27 HA LEU 27 -5.802 -4.078 -4.239 202 HB2 LEU 27 2HB LEU 27 -4.781 -4.549 -2.068 203 HB3 LEU 27 3HB LEU 27 -3.298 -3.741 -2.540 204 HG LEU 27 HG LEU 27 -4.406 -1.570 -2.479 205 HD11 LEU 27 1HD1 LEU 27 -6.934 -3.062 -1.751 206 HD12 LEU 27 2HD1 LEU 27 -6.610 -2.252 -3.286 207 HD13 LEU 27 3HD1 LEU 27 -6.725 -1.311 -1.806 208 HD21 LEU 27 3HD2 LEU 27 -3.465 -2.448 -0.368 209 HD22 LEU 27 1HD2 LEU 27 -5.031 -3.164 0.036 210 HD23 LEU 27 2HD2 LEU 27 -4.860 -1.410 -0.078 211 H VAL 28 H VAL 28 -2.350 -3.258 -4.631 212 HA VAL 28 HA VAL 28 -2.706 -0.655 -5.708 213 HB VAL 28 HB VAL 28 -0.316 -2.558 -5.921 214 HG11 VAL 28 1HG1 VAL 28 1.076 -0.552 -6.267 215 HG12 VAL 28 2HG1 VAL 28 -0.372 0.457 -6.285 216 HG13 VAL 28 3HG1 VAL 28 -0.115 -0.737 -7.558 217 HG21 VAL 28 3HG2 VAL 28 0.589 -1.377 -3.950 218 HG22 VAL 28 1HG2 VAL 28 -0.968 -2.124 -3.580 219 HG23 VAL 28 2HG2 VAL 28 -0.869 -0.386 -3.862 220 H SER 29 H SER 29 -2.741 -3.838 -7.143 221 HA SER 29 HA SER 29 -2.454 -2.910 -9.914 222 HB2 SER 29 2HB SER 29 -1.177 -4.903 -9.159 223 HB3 SER 29 3HB SER 29 -2.682 -5.725 -8.755 224 HG SER 29 HG SER 29 -3.221 -5.723 -10.955 225 H ASP 30 H ASP 30 -4.997 -3.259 -7.753 226 HA ASP 30 HA ASP 30 -6.898 -4.602 -9.518 227 HB2 ASP 30 2HB ASP 30 -6.853 -5.212 -7.140 228 HB3 ASP 30 3HB ASP 30 -7.161 -3.546 -6.673 229 HA PRO 31 HA PRO 31 -8.462 -0.637 -11.026 230 HB2 PRO 31 2HB PRO 31 -10.398 -1.525 -12.704 231 HB3 PRO 31 3HB PRO 31 -8.679 -1.803 -13.053 232 HG2 PRO 31 2HG PRO 31 -10.673 -3.689 -11.831 233 HG3 PRO 31 3HG PRO 31 -9.496 -3.994 -13.130 234 HD2 PRO 31 2HD PRO 31 -9.025 -4.690 -10.520 235 HD3 PRO 31 3HD PRO 31 -7.720 -4.256 -11.648 236 H ASP 32 H ASP 32 -10.361 -2.816 -9.054 237 HA ASP 32 HA ASP 32 -12.684 -1.073 -8.853 238 HB2 ASP 32 2HB ASP 32 -13.092 -3.428 -8.566 239 HB3 ASP 32 3HB ASP 32 -11.842 -3.583 -7.346 240 H THR 33 H THR 33 -9.630 -1.444 -7.193 241 HA THR 33 HA THR 33 -10.448 0.527 -5.123 242 HB THR 33 HB THR 33 -8.553 -0.443 -3.747 243 HG1 THR 33 HG1 THR 33 -7.391 -1.477 -5.431 244 HG21 THR 33 3HG2 THR 33 -10.711 -2.443 -4.515 245 HG22 THR 33 1HG2 THR 33 -10.906 -1.141 -3.340 246 HG23 THR 33 2HG2 THR 33 -9.767 -2.449 -3.024 247 H ASP 34 H ASP 34 -8.879 0.555 -7.987 248 HA ASP 34 HA ASP 34 -6.311 1.578 -7.380 249 HB2 ASP 34 2HB ASP 34 -5.963 1.925 -9.678 250 HB3 ASP 34 3HB ASP 34 -7.100 0.586 -9.627 251 H ALA 35 H ALA 35 -9.407 3.145 -7.519 252 HA ALA 35 HA ALA 35 -8.574 5.836 -7.893 253 HB1 ALA 35 3HB ALA 35 -10.891 5.094 -8.268 254 HB2 ALA 35 1HB ALA 35 -10.835 6.445 -7.133 255 HB3 ALA 35 2HB ALA 35 -11.089 4.800 -6.541 256 H LEU 36 H LEU 36 -8.618 3.781 -5.055 257 HA LEU 36 HA LEU 36 -7.944 6.070 -3.296 258 HB2 LEU 36 2HB LEU 36 -8.957 3.294 -2.567 259 HB3 LEU 36 3HB LEU 36 -8.430 4.488 -1.390 260 HG LEU 36 HG LEU 36 -10.848 4.700 -3.225 261 HD11 LEU 36 1HD1 LEU 36 -10.695 4.541 -0.201 262 HD12 LEU 36 2HD1 LEU 36 -11.168 3.225 -1.281 263 HD13 LEU 36 3HD1 LEU 36 -12.163 4.674 -1.173 264 HD21 LEU 36 3HD2 LEU 36 -9.819 6.907 -3.030 265 HD22 LEU 36 1HD2 LEU 36 -9.798 6.769 -1.268 266 HD23 LEU 36 2HD2 LEU 36 -11.334 6.854 -2.136 267 H ILE 37 H ILE 37 -6.578 3.303 -4.862 268 HA ILE 37 HA ILE 37 -3.967 4.107 -3.918 269 HB ILE 37 HB ILE 37 -4.596 2.628 -2.082 270 HG12 ILE 37 2HG1 ILE 37 -2.530 1.225 -3.846 271 HG13 ILE 37 3HG1 ILE 37 -2.203 2.621 -2.826 272 HG21 ILE 37 1HG2 ILE 37 -6.287 1.268 -3.250 273 HG22 ILE 37 2HG2 ILE 37 -5.139 0.267 -2.364 274 HG23 ILE 37 3HG2 ILE 37 -5.007 0.414 -4.117 275 HD11 ILE 37 3HD1 ILE 37 -2.748 1.291 -0.834 276 HD12 ILE 37 1HD1 ILE 37 -1.432 0.589 -1.774 277 HD13 ILE 37 2HD1 ILE 37 -3.043 -0.116 -1.862 278 H CYS 38 H CYS 38 -2.600 3.955 -5.590 279 HA CYS 38 HA CYS 38 -2.716 1.767 -7.524 280 HB2 CYS 38 2HB CYS 38 -2.789 3.287 -9.489 281 HB3 CYS 38 3HB CYS 38 -4.256 3.448 -8.529 282 HG CYS 38 HG CYS 38 -2.163 5.766 -9.472 283 H TRP 39 H TRP 39 -0.790 1.802 -8.926 284 HA TRP 39 HA TRP 39 1.571 2.738 -7.492 285 HB2 TRP 39 2HB TRP 39 2.855 1.508 -9.328 286 HB3 TRP 39 3HB TRP 39 1.826 0.496 -8.331 287 HD1 TRP 39 HD1 TRP 39 -0.472 -0.442 -9.523 288 HE1 TRP 39 HE1 TRP 39 -0.955 -0.971 -11.990 289 HE3 TRP 39 HE3 TRP 39 3.336 2.184 -11.685 290 HZ2 TRP 39 HZ2 TRP 39 0.128 -0.370 -14.513 291 HZ3 TRP 39 HZ3 TRP 39 3.556 2.155 -14.131 292 HH2 TRP 39 HH2 TRP 39 1.981 0.900 -15.524 293 H SER 40 H SER 40 3.153 4.053 -8.430 294 HA SER 40 HA SER 40 2.063 6.353 -9.784 295 HB2 SER 40 2HB SER 40 4.901 5.751 -8.825 296 HB3 SER 40 3HB SER 40 4.292 7.339 -9.302 297 HG SER 40 HG SER 40 2.671 6.977 -7.590 298 HA PRO 41 HA PRO 41 3.051 5.545 -14.078 299 HB2 PRO 41 2HB PRO 41 4.594 8.157 -13.964 300 HB3 PRO 41 3HB PRO 41 3.441 7.581 -15.193 301 HG2 PRO 41 2HG PRO 41 2.597 9.319 -13.407 302 HG3 PRO 41 3HG PRO 41 1.574 7.917 -13.807 303 HD2 PRO 41 2HD PRO 41 3.275 8.368 -11.364 304 HD3 PRO 41 3HD PRO 41 1.675 7.604 -11.504 305 H SER 42 H SER 42 5.935 6.680 -12.206 306 HA SER 42 HA SER 42 7.773 5.309 -13.996 307 HB2 SER 42 2HB SER 42 9.533 6.082 -12.324 308 HB3 SER 42 3HB SER 42 8.586 7.361 -13.083 309 HG SER 42 HG SER 42 8.917 6.942 -10.521 310 H GLY 43 H GLY 43 5.941 4.358 -11.261 311 HA2 GLY 43 2HA GLY 43 5.379 2.173 -10.831 312 HA3 GLY 43 3HA GLY 43 6.686 1.636 -11.866 313 H ASN 44 H ASN 44 8.000 3.710 -9.627 314 HA ASN 44 HA ASN 44 9.183 1.476 -8.122 315 HB2 ASN 44 2HB ASN 44 9.997 4.413 -8.361 316 HB3 ASN 44 3HB ASN 44 10.919 3.170 -7.514 317 HD21 ASN 44 1HD2 ASN 44 11.529 4.871 -9.943 318 HD22 ASN 44 2HD2 ASN 44 12.015 3.736 -11.148 319 H SER 45 H SER 45 6.596 3.506 -7.687 320 HA SER 45 HA SER 45 6.557 3.178 -4.791 321 HB2 SER 45 2HB SER 45 5.994 5.579 -4.394 322 HB3 SER 45 3HB SER 45 7.609 5.409 -5.083 323 HG SER 45 HG SER 45 5.401 6.661 -6.099 324 H PHE 46 H PHE 46 4.340 3.952 -3.943 325 HA PHE 46 HA PHE 46 2.228 4.218 -5.958 326 HB2 PHE 46 2HB PHE 46 0.753 2.566 -4.912 327 HB3 PHE 46 3HB PHE 46 2.226 1.795 -5.469 328 HD1 PHE 46 HD2 PHE 46 3.936 1.035 -3.795 329 HD2 PHE 46 HD1 PHE 46 0.111 2.500 -2.565 330 HE1 PHE 46 HE2 PHE 46 4.221 -0.039 -1.605 331 HE2 PHE 46 HE1 PHE 46 0.411 1.417 -0.373 332 HZ PHE 46 HZ PHE 46 2.463 0.145 0.107 333 H HIS 47 H HIS 47 0.277 5.135 -5.111 334 HA HIS 47 HA HIS 47 0.681 6.782 -2.680 335 HB2 HIS 47 2HB HIS 47 -0.714 7.418 -5.309 336 HB3 HIS 47 3HB HIS 47 -1.012 8.358 -3.853 337 HD1 HIS 47 HD1 HIS 47 0.232 10.462 -3.974 338 HD2 HIS 47 HD2 HIS 47 2.398 7.355 -5.675 339 HE1 HIS 47 HE1 HIS 47 2.394 11.489 -4.745 340 HE2 HIS 47 HE2 HIS 47 3.641 9.604 -5.856 341 H VAL 48 H VAL 48 -1.102 7.143 -1.357 342 HA VAL 48 HA VAL 48 -3.412 5.311 -1.599 343 HB VAL 48 HB VAL 48 -1.967 6.072 0.996 344 HG11 VAL 48 1HG1 VAL 48 -4.373 4.263 0.544 345 HG12 VAL 48 2HG1 VAL 48 -4.379 5.839 1.343 346 HG13 VAL 48 3HG1 VAL 48 -3.534 4.480 2.081 347 HG21 VAL 48 3HG2 VAL 48 -0.649 4.433 -0.290 348 HG22 VAL 48 1HG2 VAL 48 -2.058 3.375 -0.421 349 HG23 VAL 48 2HG2 VAL 48 -1.326 3.684 1.157 350 H PHE 49 H PHE 49 -4.999 6.606 -2.085 351 HA PHE 49 HA PHE 49 -5.167 9.408 -1.204 352 HB2 PHE 49 2HB PHE 49 -6.780 7.773 -3.219 353 HB3 PHE 49 3HB PHE 49 -7.092 9.468 -2.855 354 HD1 PHE 49 HD2 PHE 49 -5.412 11.201 -3.453 355 HD2 PHE 49 HD1 PHE 49 -4.912 7.134 -4.670 356 HE1 PHE 49 HE2 PHE 49 -3.729 11.903 -5.082 357 HE2 PHE 49 HE1 PHE 49 -3.207 7.848 -6.311 358 HZ PHE 49 HZ PHE 49 -2.615 10.234 -6.506 359 H ASP 50 H ASP 50 -6.775 10.199 0.073 360 HA ASP 50 HA ASP 50 -8.422 10.358 1.606 361 HB2 ASP 50 2HB ASP 50 -9.729 8.365 -0.297 362 HB3 ASP 50 3HB ASP 50 -10.599 9.153 1.012 363 H GLN 51 H GLN 51 -6.646 9.165 2.875 364 HA GLN 51 HA GLN 51 -6.577 6.428 3.321 365 HB2 GLN 51 2HB GLN 51 -5.621 8.641 5.168 366 HB3 GLN 51 3HB GLN 51 -5.167 6.943 5.308 367 HG2 GLN 51 2HG GLN 51 -4.130 7.042 3.060 368 HG3 GLN 51 3HG GLN 51 -4.541 8.753 2.952 369 HE21 GLN 51 1HE2 GLN 51 -2.475 6.393 4.445 370 HE22 GLN 51 2HE2 GLN 51 -1.340 7.505 5.114 371 H GLY 52 H GLY 52 -8.665 8.746 4.930 372 HA2 GLY 52 2HA GLY 52 -9.512 7.098 7.109 373 HA3 GLY 52 3HA GLY 52 -10.359 8.492 6.463 374 H GLN 53 H GLN 53 -10.906 7.741 3.851 375 HA GLN 53 HA GLN 53 -13.182 6.019 4.158 376 HB2 GLN 53 2HB GLN 53 -13.070 7.938 2.533 377 HB3 GLN 53 3HB GLN 53 -11.876 7.051 1.598 378 HG2 GLN 53 2HG GLN 53 -14.067 6.892 0.538 379 HG3 GLN 53 3HG GLN 53 -13.560 5.298 1.103 380 HE21 GLN 53 1HE2 GLN 53 -15.717 4.546 1.124 381 HE22 GLN 53 2HE2 GLN 53 -16.857 5.046 2.318 382 H PHE 54 H PHE 54 -10.054 5.748 2.533 383 HA PHE 54 HA PHE 54 -10.065 3.214 1.471 384 HB2 PHE 54 2HB PHE 54 -8.260 4.811 1.045 385 HB3 PHE 54 3HB PHE 54 -7.818 4.852 2.744 386 HD1 PHE 54 HD2 PHE 54 -7.627 2.864 -0.378 387 HD2 PHE 54 HD1 PHE 54 -6.365 3.128 3.702 388 HE1 PHE 54 HE2 PHE 54 -5.936 1.125 -0.766 389 HE2 PHE 54 HE1 PHE 54 -4.671 1.390 3.286 390 HZ PHE 54 HZ PHE 54 -4.459 0.387 1.051 391 H ALA 55 H ALA 55 -8.995 4.150 4.761 392 HA ALA 55 HA ALA 55 -8.427 1.531 5.631 393 HB1 ALA 55 3HB ALA 55 -7.548 3.534 6.746 394 HB2 ALA 55 1HB ALA 55 -8.370 2.477 7.893 395 HB3 ALA 55 2HB ALA 55 -9.167 3.945 7.314 396 H LYS 56 H LYS 56 -11.370 3.387 5.623 397 HA LYS 56 HA LYS 56 -12.915 1.882 7.454 398 HB2 LYS 56 2HB LYS 56 -13.553 4.132 7.052 399 HB3 LYS 56 3HB LYS 56 -13.546 3.940 5.313 400 HG2 LYS 56 2HG LYS 56 -15.559 2.356 6.862 401 HG3 LYS 56 3HG LYS 56 -15.815 4.098 6.751 402 HD2 LYS 56 2HD LYS 56 -15.971 4.017 4.352 403 HD3 LYS 56 3HD LYS 56 -15.342 2.368 4.288 404 HE2 LYS 56 2HE LYS 56 -17.419 1.606 5.490 405 HE3 LYS 56 3HE LYS 56 -18.038 3.254 5.374 406 HZ1 LYS 56 3HZ LYS 56 -17.337 1.515 3.073 407 HZ2 LYS 56 1HZ LYS 56 -17.961 3.082 2.977 408 HZ3 LYS 56 2HZ LYS 56 -18.900 1.839 3.625 409 H GLU 57 H GLU 57 -12.728 1.732 3.870 410 HA GLU 57 HA GLU 57 -14.545 -0.624 3.907 411 HB2 GLU 57 2HB GLU 57 -14.952 -0.083 1.475 412 HB3 GLU 57 3HB GLU 57 -15.508 1.133 2.615 413 HG2 GLU 57 2HG GLU 57 -13.741 2.619 2.059 414 HG3 GLU 57 3HG GLU 57 -12.850 1.372 1.201 415 H VAL 58 H VAL 58 -11.370 0.395 2.693 416 HA VAL 58 HA VAL 58 -11.157 -1.831 0.819 417 HB VAL 58 HB VAL 58 -9.182 0.391 1.515 418 HG11 VAL 58 1HG1 VAL 58 -7.988 -1.556 0.642 419 HG12 VAL 58 2HG1 VAL 58 -7.990 -0.263 -0.556 420 HG13 VAL 58 3HG1 VAL 58 -9.079 -1.642 -0.742 421 HG21 VAL 58 3HG2 VAL 58 -11.064 0.106 -0.865 422 HG22 VAL 58 1HG2 VAL 58 -9.865 1.389 -0.656 423 HG23 VAL 58 2HG2 VAL 58 -11.225 1.259 0.458 424 H LEU 59 H LEU 59 -9.690 -0.839 3.909 425 HA LEU 59 HA LEU 59 -7.780 -2.952 3.972 426 HB2 LEU 59 2HB LEU 59 -8.773 -1.127 6.172 427 HB3 LEU 59 3HB LEU 59 -7.536 -2.346 6.434 428 HG LEU 59 HG LEU 59 -7.337 0.100 4.633 429 HD11 LEU 59 1HD1 LEU 59 -7.031 0.557 7.015 430 HD12 LEU 59 2HD1 LEU 59 -5.519 0.762 6.135 431 HD13 LEU 59 3HD1 LEU 59 -5.778 -0.684 7.115 432 HD21 LEU 59 3HD2 LEU 59 -5.035 -0.620 4.102 433 HD22 LEU 59 1HD2 LEU 59 -6.236 -1.752 3.481 434 HD23 LEU 59 2HD2 LEU 59 -5.314 -2.151 4.934 435 HA PRO 60 HA PRO 60 -10.950 -5.519 6.652 436 HB2 PRO 60 2HB PRO 60 -13.634 -4.892 6.459 437 HB3 PRO 60 3HB PRO 60 -12.585 -4.250 7.739 438 HG2 PRO 60 2HG PRO 60 -13.469 -2.926 5.202 439 HG3 PRO 60 3HG PRO 60 -13.366 -2.252 6.840 440 HD2 PRO 60 2HD PRO 60 -11.457 -1.776 4.970 441 HD3 PRO 60 3HD PRO 60 -11.072 -1.896 6.700 442 H LYS 61 H LYS 61 -11.383 -4.294 3.465 443 HA LYS 61 HA LYS 61 -12.875 -6.488 2.330 444 HB2 LYS 61 2HB LYS 61 -12.944 -4.240 1.372 445 HB3 LYS 61 3HB LYS 61 -11.207 -4.251 1.115 446 HG2 LYS 61 2HG LYS 61 -11.465 -5.999 -0.606 447 HG3 LYS 61 3HG LYS 61 -13.216 -6.002 -0.341 448 HD2 LYS 61 2HD LYS 61 -13.373 -3.667 -1.082 449 HD3 LYS 61 3HD LYS 61 -11.616 -3.560 -1.217 450 HE2 LYS 61 2HE LYS 61 -12.639 -3.806 -3.419 451 HE3 LYS 61 3HE LYS 61 -11.661 -5.225 -3.040 452 HZ1 LYS 61 3HZ LYS 61 -14.618 -5.038 -2.808 453 HZ2 LYS 61 1HZ LYS 61 -13.689 -6.402 -2.448 454 HZ3 LYS 61 2HZ LYS 61 -13.764 -5.827 -4.036 455 H TYR 62 H TYR 62 -9.434 -5.473 2.122 456 HA TYR 62 HA TYR 62 -8.638 -8.043 0.959 457 HB2 TYR 62 2HB TYR 62 -7.119 -5.471 1.502 458 HB3 TYR 62 3HB TYR 62 -6.289 -6.946 1.003 459 HD1 TYR 62 HD2 TYR 62 -8.957 -4.543 -0.049 460 HD2 TYR 62 HD1 TYR 62 -6.227 -7.584 -1.300 461 HE1 TYR 62 HE2 TYR 62 -9.515 -4.085 -2.396 462 HE2 TYR 62 HE1 TYR 62 -6.798 -7.128 -3.645 463 HH TYR 62 HH TYR 62 -8.495 -4.370 -4.642 464 H PHE 63 H PHE 63 -8.638 -6.537 4.055 465 HA PHE 63 HA PHE 63 -7.228 -8.859 5.260 466 HB2 PHE 63 2HB PHE 63 -7.108 -6.012 6.390 467 HB3 PHE 63 3HB PHE 63 -6.122 -7.392 6.847 468 HD1 PHE 63 HD2 PHE 63 -4.522 -8.349 4.965 469 HD2 PHE 63 HD1 PHE 63 -6.223 -4.422 4.878 470 HE1 PHE 63 HE2 PHE 63 -2.810 -7.626 3.355 471 HE2 PHE 63 HE1 PHE 63 -4.502 -3.716 3.263 472 HZ PHE 63 HZ PHE 63 -2.792 -5.318 2.500 473 H LYS 64 H LYS 64 -7.912 -7.800 7.994 474 HA LYS 64 HA LYS 64 -10.827 -7.443 7.964 475 HB2 LYS 64 2HB LYS 64 -11.063 -9.154 9.838 476 HB3 LYS 64 3HB LYS 64 -10.727 -9.823 8.246 477 HG2 LYS 64 2HG LYS 64 -8.399 -10.207 8.835 478 HG3 LYS 64 3HG LYS 64 -8.624 -9.416 10.399 479 HD2 LYS 64 2HD LYS 64 -10.106 -11.192 11.151 480 HD3 LYS 64 3HD LYS 64 -10.111 -11.937 9.548 481 HE2 LYS 64 2HE LYS 64 -7.639 -11.645 11.293 482 HE3 LYS 64 3HE LYS 64 -8.625 -13.103 11.194 483 HZ1 LYS 64 3HZ LYS 64 -8.114 -13.240 8.832 484 HZ2 LYS 64 1HZ LYS 64 -6.708 -13.259 9.760 485 HZ3 LYS 64 2HZ LYS 64 -7.154 -11.851 8.937 486 H HIS 65 H HIS 65 -9.367 -5.377 8.267 487 HA HIS 65 HA HIS 65 -9.826 -4.501 10.982 488 HB2 HIS 65 2HB HIS 65 -7.574 -3.582 11.402 489 HB3 HIS 65 3HB HIS 65 -7.474 -5.325 11.191 490 HD1 HIS 65 HD1 HIS 65 -6.497 -2.078 9.505 491 HD2 HIS 65 HD2 HIS 65 -5.905 -6.168 9.032 492 HE1 HIS 65 HE1 HIS 65 -4.656 -2.308 7.811 493 HE2 HIS 65 HE2 HIS 65 -4.175 -4.770 7.722 494 H ASN 66 H ASN 66 -9.980 -2.212 11.097 495 HA ASN 66 HA ASN 66 -10.141 -0.819 8.473 496 HB2 ASN 66 2HB ASN 66 -11.800 -0.174 10.960 497 HB3 ASN 66 3HB ASN 66 -11.888 0.635 9.395 498 HD21 ASN 66 1HD2 ASN 66 -14.007 0.204 8.964 499 HD22 ASN 66 2HD2 ASN 66 -14.621 -1.386 8.690 500 H ASN 67 H ASN 67 -8.332 -1.120 11.164 501 HA ASN 67 HA ASN 67 -7.599 1.588 11.763 502 HB2 ASN 67 2HB ASN 67 -7.314 -0.193 13.426 503 HB3 ASN 67 3HB ASN 67 -6.237 -1.079 12.349 504 HD21 ASN 67 1HD2 ASN 67 -4.629 -1.076 13.972 505 HD22 ASN 67 2HD2 ASN 67 -3.711 0.345 14.341 506 H MET 68 H MET 68 -6.492 2.868 10.407 507 HA MET 68 HA MET 68 -5.021 1.891 8.139 508 HB2 MET 68 2HB MET 68 -6.292 4.038 8.085 509 HB3 MET 68 3HB MET 68 -5.149 4.741 9.223 510 HG2 MET 68 2HG MET 68 -4.730 5.410 6.887 511 HG3 MET 68 3HG MET 68 -3.367 4.505 7.562 512 HE1 MET 68 3HE MET 68 -3.754 4.996 4.477 513 HE2 MET 68 1HE MET 68 -3.377 3.405 3.815 514 HE3 MET 68 2HE MET 68 -2.416 4.058 5.141 515 H ALA 69 H ALA 69 -4.194 3.175 11.328 516 HA ALA 69 HA ALA 69 -1.439 3.554 11.047 517 HB1 ALA 69 3HB ALA 69 -2.942 2.657 13.528 518 HB2 ALA 69 1HB ALA 69 -2.714 4.325 13.001 519 HB3 ALA 69 2HB ALA 69 -1.321 3.362 13.497 520 H SER 70 H SER 70 -3.273 0.599 11.653 521 HA SER 70 HA SER 70 -1.243 -1.256 12.144 522 HB2 SER 70 2HB SER 70 -3.622 -1.797 12.396 523 HB3 SER 70 3HB SER 70 -3.891 -1.598 10.667 524 HG SER 70 HG SER 70 -2.372 -3.602 11.984 525 H PHE 71 H PHE 71 -2.668 -0.207 9.042 526 HA PHE 71 HA PHE 71 -1.257 -2.004 7.353 527 HB2 PHE 71 2HB PHE 71 -3.399 -1.051 6.668 528 HB3 PHE 71 3HB PHE 71 -2.775 0.588 6.791 529 HD1 PHE 71 HD1 PHE 71 -2.368 -2.602 4.855 530 HD2 PHE 71 HD2 PHE 71 -1.864 1.648 4.858 531 HE1 PHE 71 HE1 PHE 71 -1.796 -2.659 2.462 532 HE2 PHE 71 HE2 PHE 71 -1.292 1.580 2.465 533 HZ PHE 71 HZ PHE 71 -1.247 -0.577 1.272 534 H VAL 72 H VAL 72 -0.880 1.500 7.942 535 HA VAL 72 HA VAL 72 1.374 2.021 6.402 536 HB VAL 72 HB VAL 72 0.462 3.392 8.975 537 HG11 VAL 72 1HG1 VAL 72 2.375 4.442 6.854 538 HG12 VAL 72 2HG1 VAL 72 2.803 3.989 8.504 539 HG13 VAL 72 3HG1 VAL 72 1.744 5.370 8.219 540 HG21 VAL 72 3HG2 VAL 72 -0.627 5.032 7.460 541 HG22 VAL 72 1HG2 VAL 72 -1.269 3.403 7.231 542 HG23 VAL 72 2HG2 VAL 72 -0.124 4.070 6.067 543 H ARG 73 H ARG 73 1.206 1.079 9.865 544 HA ARG 73 HA ARG 73 3.921 1.300 10.511 545 HB2 ARG 73 2HB ARG 73 2.317 1.029 12.299 546 HB3 ARG 73 3HB ARG 73 1.792 -0.534 11.679 547 HG2 ARG 73 2HG ARG 73 3.858 -1.589 12.325 548 HG3 ARG 73 3HG ARG 73 4.615 -0.038 12.687 549 HD2 ARG 73 2HD ARG 73 3.086 0.273 14.589 550 HD3 ARG 73 3HD ARG 73 2.285 -1.250 14.206 551 HE ARG 73 HE ARG 73 3.971 -2.378 15.231 552 HH11 ARG 73 1HH1 ARG 73 5.192 0.881 14.601 553 HH12 ARG 73 2HH1 ARG 73 6.656 0.618 15.500 554 HH21 ARG 73 1HH2 ARG 73 5.886 -2.675 16.396 555 HH22 ARG 73 2HH2 ARG 73 7.043 -1.384 16.507 556 H GLN 74 H GLN 74 2.159 -1.447 9.081 557 HA GLN 74 HA GLN 74 4.221 -3.375 9.300 558 HB2 GLN 74 2HB GLN 74 2.024 -3.211 7.196 559 HB3 GLN 74 3HB GLN 74 3.040 -4.617 7.488 560 HG2 GLN 74 2HG GLN 74 0.947 -3.447 9.327 561 HG3 GLN 74 3HG GLN 74 0.903 -5.003 8.507 562 HE21 GLN 74 1HE2 GLN 74 2.274 -6.680 9.288 563 HE22 GLN 74 2HE2 GLN 74 2.914 -6.650 10.887 564 H LEU 75 H LEU 75 3.351 -1.113 6.671 565 HA LEU 75 HA LEU 75 5.335 -1.916 4.821 566 HB2 LEU 75 2HB LEU 75 3.831 0.719 5.066 567 HB3 LEU 75 3HB LEU 75 4.802 0.254 3.675 568 HG LEU 75 HG LEU 75 2.274 -1.155 4.621 569 HD11 LEU 75 1HD1 LEU 75 1.796 1.013 3.611 570 HD12 LEU 75 2HD1 LEU 75 1.242 -0.303 2.580 571 HD13 LEU 75 3HD1 LEU 75 2.724 0.571 2.174 572 HD21 LEU 75 3HD2 LEU 75 3.762 -2.792 3.632 573 HD22 LEU 75 1HD2 LEU 75 4.042 -1.755 2.225 574 HD23 LEU 75 2HD2 LEU 75 2.442 -2.453 2.511 575 H ASN 76 H ASN 76 5.246 0.713 7.240 576 HA ASN 76 HA ASN 76 7.741 1.883 6.723 577 HB2 ASN 76 2HB ASN 76 6.086 1.745 9.271 578 HB3 ASN 76 3HB ASN 76 7.616 2.610 9.204 579 HD21 ASN 76 1HD2 ASN 76 5.275 2.550 6.516 580 HD22 ASN 76 2HD2 ASN 76 4.860 4.216 6.639 581 H MET 77 H MET 77 6.924 -0.911 8.785 582 HA MET 77 HA MET 77 9.592 -1.397 9.708 583 HB2 MET 77 2HB MET 77 7.187 -3.267 9.561 584 HB3 MET 77 3HB MET 77 8.720 -3.705 10.303 585 HG2 MET 77 2HG MET 77 8.414 -1.789 11.896 586 HG3 MET 77 3HG MET 77 6.803 -1.557 11.222 587 HE1 MET 77 3HE MET 77 4.956 -3.588 11.220 588 HE2 MET 77 1HE MET 77 5.155 -5.062 12.165 589 HE3 MET 77 2HE MET 77 6.123 -4.811 10.713 590 H TYR 78 H TYR 78 7.781 -2.284 6.825 591 HA TYR 78 HA TYR 78 9.582 -4.340 5.884 592 HB2 TYR 78 2HB TYR 78 7.201 -2.895 4.703 593 HB3 TYR 78 3HB TYR 78 8.246 -3.812 3.637 594 HD1 TYR 78 HD1 TYR 78 8.823 -6.294 4.843 595 HD2 TYR 78 HD2 TYR 78 5.205 -4.046 5.175 596 HE1 TYR 78 HE1 TYR 78 7.574 -8.359 5.263 597 HE2 TYR 78 HE2 TYR 78 3.962 -6.120 5.615 598 HH TYR 78 HH TYR 78 4.242 -8.564 5.089 599 H GLY 79 H GLY 79 10.029 -1.087 6.199 600 HA2 GLY 79 2HA GLY 79 11.876 0.148 5.570 601 HA3 GLY 79 3HA GLY 79 12.258 -1.037 4.331 602 H PHE 80 H PHE 80 8.980 0.059 4.250 603 HA PHE 80 HA PHE 80 9.362 1.526 1.773 604 HB2 PHE 80 2HB PHE 80 6.882 1.019 3.486 605 HB3 PHE 80 3HB PHE 80 6.845 2.053 2.066 606 HD1 PHE 80 HD1 PHE 80 7.737 -1.457 3.083 607 HD2 PHE 80 HD2 PHE 80 6.286 1.107 -0.017 608 HE1 PHE 80 HE1 PHE 80 7.246 -3.421 1.679 609 HE2 PHE 80 HE2 PHE 80 5.805 -0.864 -1.411 610 HZ PHE 80 HZ PHE 80 6.280 -3.125 -0.567 611 H ARG 81 H ARG 81 8.962 3.784 1.546 612 HA ARG 81 HA ARG 81 9.731 5.320 3.930 613 HB2 ARG 81 2HB ARG 81 11.153 5.410 1.862 614 HB3 ARG 81 3HB ARG 81 9.794 6.089 0.980 615 HG2 ARG 81 2HG ARG 81 9.840 8.077 2.464 616 HG3 ARG 81 3HG ARG 81 11.221 7.390 3.322 617 HD2 ARG 81 2HD ARG 81 11.105 8.326 0.443 618 HD3 ARG 81 3HD ARG 81 12.093 8.982 1.749 619 HE ARG 81 HE ARG 81 12.517 6.428 0.331 620 HH11 ARG 81 1HH1 ARG 81 13.797 8.872 2.531 621 HH12 ARG 81 2HH1 ARG 81 15.405 8.216 2.500 622 HH21 ARG 81 1HH2 ARG 81 14.596 5.573 0.332 623 HH22 ARG 81 2HH2 ARG 81 15.852 6.342 1.249 624 H LYS 82 H LYS 82 8.239 6.529 4.908 625 HA LYS 82 HA LYS 82 5.541 6.833 3.934 626 HB2 LYS 82 2HB LYS 82 5.969 6.250 6.289 627 HB3 LYS 82 3HB LYS 82 7.034 7.638 6.478 628 HG2 LYS 82 2HG LYS 82 4.984 8.164 7.579 629 HG3 LYS 82 3HG LYS 82 5.055 9.134 6.106 630 HD2 LYS 82 2HD LYS 82 3.601 7.357 5.004 631 HD3 LYS 82 3HD LYS 82 3.393 6.641 6.605 632 HE2 LYS 82 2HE LYS 82 2.610 9.458 5.797 633 HE3 LYS 82 3HE LYS 82 1.505 8.105 6.009 634 HZ1 LYS 82 3HZ LYS 82 2.102 8.033 8.346 635 HZ2 LYS 82 1HZ LYS 82 1.519 9.559 7.923 636 HZ3 LYS 82 2HZ LYS 82 3.176 9.319 8.139 637 H VAL 83 H VAL 83 5.117 8.505 2.498 638 HA VAL 83 HA VAL 83 6.413 11.146 2.929 639 HB VAL 83 HB VAL 83 5.540 10.017 0.214 640 HG11 VAL 83 1HG1 VAL 83 5.447 12.466 0.314 641 HG12 VAL 83 2HG1 VAL 83 6.765 11.949 -0.735 642 HG13 VAL 83 3HG1 VAL 83 7.114 12.531 0.894 643 HG21 VAL 83 3HG2 VAL 83 8.369 10.218 1.317 644 HG22 VAL 83 1HG2 VAL 83 7.944 9.770 -0.338 645 HG23 VAL 83 2HG2 VAL 83 7.474 8.729 1.009 646 H VAL 84 H VAL 84 4.962 12.721 3.357 647 HA VAL 84 HA VAL 84 2.072 12.319 2.801 648 HB VAL 84 HB VAL 84 3.476 14.079 4.883 649 HG11 VAL 84 1HG1 VAL 84 0.481 13.813 4.405 650 HG12 VAL 84 2HG1 VAL 84 1.460 15.242 4.065 651 HG13 VAL 84 3HG1 VAL 84 1.244 14.696 5.728 652 HG21 VAL 84 3HG2 VAL 84 3.455 11.690 5.477 653 HG22 VAL 84 1HG2 VAL 84 1.703 11.634 5.257 654 HG23 VAL 84 2HG2 VAL 84 2.402 12.609 6.552 655 H HIS 85 H HIS 85 1.477 13.365 0.978 656 HA HIS 85 HA HIS 85 3.152 15.516 -0.106 657 HB2 HIS 85 2HB HIS 85 0.912 13.842 -1.313 658 HB3 HIS 85 3HB HIS 85 1.607 15.227 -2.153 659 HD1 HIS 85 HD1 HIS 85 3.950 15.006 -3.116 660 HD2 HIS 85 HD2 HIS 85 2.653 11.583 -1.139 661 HE1 HIS 85 HE1 HIS 85 5.633 13.229 -3.665 662 HE2 HIS 85 HE2 HIS 85 4.912 11.222 -2.353 663 H ILE 86 H ILE 86 -0.266 15.003 0.812 664 HA ILE 86 HA ILE 86 -0.967 17.719 0.083 665 HB ILE 86 HB ILE 86 -2.721 15.728 1.579 666 HG12 ILE 86 2HG1 ILE 86 -2.041 14.723 -0.565 667 HG13 ILE 86 3HG1 ILE 86 -3.734 15.187 -0.637 668 HG21 ILE 86 1HG2 ILE 86 -4.584 17.122 0.750 669 HG22 ILE 86 2HG2 ILE 86 -3.433 18.219 -0.021 670 HG23 ILE 86 3HG2 ILE 86 -3.468 18.069 1.737 671 HD11 ILE 86 3HD1 ILE 86 -1.418 16.665 -1.883 672 HD12 ILE 86 1HD1 ILE 86 -3.105 17.184 -1.938 673 HD13 ILE 86 2HD1 ILE 86 -2.618 15.678 -2.711 674 H GLU 87 H GLU 87 0.383 18.903 1.365 675 HA GLU 87 HA GLU 87 0.386 19.033 4.188 676 HB2 GLU 87 2HB GLU 87 0.894 21.285 2.202 677 HB3 GLU 87 3HB GLU 87 1.396 21.258 3.890 678 HG2 GLU 87 2HG GLU 87 2.928 19.391 3.417 679 HG3 GLU 87 3HG GLU 87 2.402 19.375 1.732 680 H GLN 88 H GLN 88 -1.770 18.868 4.831 681 HA GLN 88 HA GLN 88 -3.791 20.797 4.067 682 HB2 GLN 88 2HB GLN 88 -3.753 18.537 6.110 683 HB3 GLN 88 3HB GLN 88 -5.164 19.551 5.815 684 HG2 GLN 88 2HG GLN 88 -5.276 18.782 3.505 685 HG3 GLN 88 3HG GLN 88 -3.804 17.838 3.720 686 HE21 GLN 88 1HE2 GLN 88 -3.903 15.909 4.890 687 HE22 GLN 88 2HE2 GLN 88 -5.396 15.123 5.253 688 H GLY 89 H GLY 89 -3.021 22.770 4.666 689 HA2 GLY 89 2HA GLY 89 -3.320 23.530 7.476 690 HA3 GLY 89 3HA GLY 89 -1.723 23.790 6.774 691 H GLY 90 H GLY 90 -4.381 24.055 4.615 692 HA2 GLY 90 2HA GLY 90 -5.601 25.884 3.854 693 HA3 GLY 90 3HA GLY 90 -4.695 26.953 4.909 694 H LEU 91 H LEU 91 -3.028 24.680 2.846 695 HA LEU 91 HA LEU 91 -2.030 26.810 1.073 696 HB2 LEU 91 2HB LEU 91 -1.223 23.867 1.229 697 HB3 LEU 91 3HB LEU 91 -0.430 25.103 0.264 698 HG LEU 91 HG LEU 91 -0.449 24.881 3.295 699 HD11 LEU 91 1HD1 LEU 91 1.124 23.373 2.191 700 HD12 LEU 91 2HD1 LEU 91 1.984 24.639 3.061 701 HD13 LEU 91 3HD1 LEU 91 1.836 24.723 1.302 702 HD21 LEU 91 3HD2 LEU 91 -0.643 27.249 2.749 703 HD22 LEU 91 1HD2 LEU 91 0.714 27.138 1.626 704 HD23 LEU 91 2HD2 LEU 91 0.973 26.904 3.358 705 H VAL 92 H VAL 92 -1.780 26.064 -1.315 706 HA VAL 92 HA VAL 92 -4.406 25.504 -2.380 707 HB VAL 92 HB VAL 92 -3.108 27.280 -3.412 708 HG11 VAL 92 1HG1 VAL 92 -0.990 25.252 -4.184 709 HG12 VAL 92 2HG1 VAL 92 -0.826 26.521 -2.970 710 HG13 VAL 92 3HG1 VAL 92 -1.025 26.950 -4.671 711 HG21 VAL 92 3HG2 VAL 92 -3.272 26.690 -5.802 712 HG22 VAL 92 1HG2 VAL 92 -4.661 26.085 -4.896 713 HG23 VAL 92 2HG2 VAL 92 -3.376 24.980 -5.383 714 H LYS 93 H LYS 93 -4.494 23.410 -1.404 715 HA LYS 93 HA LYS 93 -3.666 21.210 -3.165 716 HB2 LYS 93 2HB LYS 93 -3.101 21.326 -0.159 717 HB3 LYS 93 3HB LYS 93 -3.076 19.823 -1.079 718 HG2 LYS 93 2HG LYS 93 -1.256 20.770 -2.509 719 HG3 LYS 93 3HG LYS 93 -1.239 22.211 -1.487 720 HD2 LYS 93 2HD LYS 93 -0.506 20.922 0.430 721 HD3 LYS 93 3HD LYS 93 -0.746 19.403 -0.435 722 HE2 LYS 93 2HE LYS 93 1.611 19.847 -0.390 723 HE3 LYS 93 3HE LYS 93 1.061 20.117 -2.041 724 HZ1 LYS 93 3HZ LYS 93 0.971 22.532 -1.468 725 HZ2 LYS 93 1HZ LYS 93 2.523 21.858 -1.464 726 HZ3 LYS 93 2HZ LYS 93 1.735 22.157 -0.004 727 HA PRO 94 HA PRO 94 -7.922 19.894 -2.473 728 HB2 PRO 94 2HB PRO 94 -7.752 17.162 -2.753 729 HB3 PRO 94 3HB PRO 94 -7.583 18.276 -4.128 730 HG2 PRO 94 2HG PRO 94 -5.417 16.983 -2.494 731 HG3 PRO 94 3HG PRO 94 -5.572 17.081 -4.265 732 HD2 PRO 94 2HD PRO 94 -3.971 18.789 -2.954 733 HD3 PRO 94 3HD PRO 94 -4.945 19.346 -4.335 734 H GLU 95 H GLU 95 -9.342 18.852 -0.941 735 HA GLU 95 HA GLU 95 -8.227 18.638 1.738 736 HB2 GLU 95 2HB GLU 95 -10.645 18.514 2.452 737 HB3 GLU 95 3HB GLU 95 -10.232 19.961 1.543 738 HG2 GLU 95 2HG GLU 95 -11.309 19.112 -0.442 739 HG3 GLU 95 3HG GLU 95 -11.567 17.542 0.306 740 H ARG 96 H ARG 96 -7.043 16.619 0.760 741 HA ARG 96 HA ARG 96 -8.466 14.224 1.749 742 HB2 ARG 96 2HB ARG 96 -7.714 12.846 -0.090 743 HB3 ARG 96 3HB ARG 96 -8.528 14.238 -0.788 744 HG2 ARG 96 2HG ARG 96 -6.399 15.259 -1.389 745 HG3 ARG 96 3HG ARG 96 -5.513 13.987 -0.542 746 HD2 ARG 96 2HD ARG 96 -5.411 13.508 -2.890 747 HD3 ARG 96 3HD ARG 96 -6.491 12.323 -2.154 748 HE ARG 96 HE ARG 96 -7.608 14.719 -3.473 749 HH11 ARG 96 1HH1 ARG 96 -7.256 11.225 -3.431 750 HH12 ARG 96 2HH1 ARG 96 -8.472 10.961 -4.633 751 HH21 ARG 96 1HH2 ARG 96 -9.199 14.367 -5.049 752 HH22 ARG 96 2HH2 ARG 96 -9.577 12.751 -5.550 753 H ASP 97 H ASP 97 -6.995 12.472 2.313 754 HA ASP 97 HA ASP 97 -4.255 13.318 3.049 755 HB2 ASP 97 2HB ASP 97 -5.977 10.974 3.982 756 HB3 ASP 97 3HB ASP 97 -4.275 11.140 4.402 757 H ASP 98 H ASP 98 -2.691 12.748 1.662 758 HA ASP 98 HA ASP 98 -2.903 10.241 0.108 759 HB2 ASP 98 2HB ASP 98 -3.160 12.045 -1.501 760 HB3 ASP 98 3HB ASP 98 -1.789 12.920 -0.822 761 H THR 99 H THR 99 -1.366 8.849 0.628 762 HA THR 99 HA THR 99 1.268 9.791 1.598 763 HB THR 99 HB THR 99 -0.268 7.295 2.447 764 HG1 THR 99 HG1 THR 99 -0.337 9.655 3.425 765 HG21 THR 99 3HG2 THR 99 1.698 6.770 3.872 766 HG22 THR 99 1HG2 THR 99 2.591 8.086 3.117 767 HG23 THR 99 2HG2 THR 99 2.102 6.686 2.156 768 H GLU 100 H GLU 100 2.906 9.227 0.352 769 HA GLU 100 HA GLU 100 2.635 7.127 -1.699 770 HB2 GLU 100 2HB GLU 100 3.348 9.262 -2.594 771 HB3 GLU 100 3HB GLU 100 4.589 9.439 -1.356 772 HG2 GLU 100 2HG GLU 100 5.827 7.529 -2.331 773 HG3 GLU 100 3HG GLU 100 4.578 7.351 -3.563 774 H PHE 101 H PHE 101 3.319 5.196 -0.952 775 HA PHE 101 HA PHE 101 5.701 5.011 0.766 776 HB2 PHE 101 2HB PHE 101 3.736 2.886 -0.196 777 HB3 PHE 101 3HB PHE 101 5.155 2.544 0.787 778 HD1 PHE 101 HD1 PHE 101 5.303 3.643 3.110 779 HD2 PHE 101 HD2 PHE 101 1.666 3.484 0.849 780 HE1 PHE 101 HE1 PHE 101 3.998 4.006 5.164 781 HE2 PHE 101 HE2 PHE 101 0.374 3.851 2.916 782 HZ PHE 101 HZ PHE 101 1.542 4.111 5.067 783 H GLN 102 H GLN 102 7.606 4.872 -0.200 784 HA GLN 102 HA GLN 102 7.865 3.596 -2.863 785 HB2 GLN 102 2HB GLN 102 9.838 5.169 -3.244 786 HB3 GLN 102 3HB GLN 102 8.246 5.904 -3.294 787 HG2 GLN 102 2HG GLN 102 8.546 6.890 -1.111 788 HG3 GLN 102 3HG GLN 102 10.066 6.027 -0.878 789 HE21 GLN 102 1HE2 GLN 102 9.506 8.915 -0.850 790 HE22 GLN 102 2HE2 GLN 102 10.547 9.617 -2.031 791 H HIS 103 H HIS 103 9.541 2.165 -3.123 792 HA HIS 103 HA HIS 103 11.309 1.538 -0.863 793 HB2 HIS 103 2HB HIS 103 9.093 0.421 -0.431 794 HB3 HIS 103 3HB HIS 103 9.261 -0.445 -1.950 795 HD1 HIS 103 HD1 HIS 103 11.208 -2.278 -2.025 796 HD2 HIS 103 HD2 HIS 103 10.324 -0.719 1.707 797 HE1 HIS 103 HE1 HIS 103 12.287 -3.819 -0.358 798 HE2 HIS 103 HE2 HIS 103 11.760 -2.840 1.887 799 HA PRO 104 HA PRO 104 13.920 0.854 -4.448 800 HB2 PRO 104 2HB PRO 104 16.086 -0.372 -3.242 801 HB3 PRO 104 3HB PRO 104 15.731 1.360 -3.084 802 HG2 PRO 104 2HG PRO 104 15.069 -0.869 -1.176 803 HG3 PRO 104 3HG PRO 104 15.778 0.729 -0.832 804 HD2 PRO 104 2HD PRO 104 13.149 0.265 -0.436 805 HD3 PRO 104 3HD PRO 104 13.724 1.837 -1.039 806 H CYS 105 H CYS 105 13.411 -1.976 -2.310 807 HA CYS 105 HA CYS 105 13.831 -3.858 -4.540 808 HB2 CYS 105 2HB CYS 105 13.226 -4.503 -1.628 809 HB3 CYS 105 3HB CYS 105 13.801 -5.620 -2.855 810 HG CYS 105 HG CYS 105 16.340 -4.801 -2.924 811 H PHE 106 H PHE 106 11.473 -2.010 -4.390 812 HA PHE 106 HA PHE 106 9.405 -4.069 -4.859 813 HB2 PHE 106 2HB PHE 106 8.751 -3.012 -2.751 814 HB3 PHE 106 3HB PHE 106 9.008 -1.406 -3.419 815 HD1 PHE 106 HD1 PHE 106 6.939 -4.496 -4.008 816 HD2 PHE 106 HD2 PHE 106 7.123 -0.224 -4.240 817 HE1 PHE 106 HE1 PHE 106 4.582 -4.425 -4.713 818 HE2 PHE 106 HE2 PHE 106 4.764 -0.166 -4.942 819 HZ PHE 106 HZ PHE 106 3.493 -2.263 -5.180 820 H LEU 107 H LEU 107 9.183 -4.019 -7.000 821 HA LEU 107 HA LEU 107 8.827 -1.425 -8.387 822 HB2 LEU 107 2HB LEU 107 9.654 -4.083 -9.598 823 HB3 LEU 107 3HB LEU 107 9.574 -2.545 -10.434 824 HG LEU 107 HG LEU 107 11.538 -3.222 -8.204 825 HD11 LEU 107 1HD1 LEU 107 12.027 -3.032 -11.185 826 HD12 LEU 107 2HD1 LEU 107 12.029 -4.507 -10.214 827 HD13 LEU 107 3HD1 LEU 107 13.256 -3.275 -9.940 828 HD21 LEU 107 3HD2 LEU 107 11.360 -0.755 -9.965 829 HD22 LEU 107 1HD2 LEU 107 12.673 -1.124 -8.843 830 HD23 LEU 107 2HD2 LEU 107 11.049 -0.841 -8.228 831 H ARG 108 H ARG 108 7.197 -1.496 -10.129 832 HA ARG 108 HA ARG 108 4.695 -2.157 -9.063 833 HB2 ARG 108 2HB ARG 108 3.750 -1.219 -11.129 834 HB3 ARG 108 3HB ARG 108 5.106 -0.249 -10.585 835 HG2 ARG 108 2HG ARG 108 5.629 -0.309 -12.819 836 HG3 ARG 108 3HG ARG 108 6.452 -1.789 -12.333 837 HD2 ARG 108 2HD ARG 108 4.183 -2.958 -12.945 838 HD3 ARG 108 3HD ARG 108 3.836 -1.467 -13.818 839 HE ARG 108 HE ARG 108 6.102 -1.994 -14.955 840 HH11 ARG 108 1HH1 ARG 108 3.743 -4.423 -13.967 841 HH12 ARG 108 2HH1 ARG 108 4.219 -5.559 -15.189 842 HH21 ARG 108 1HH2 ARG 108 6.721 -3.508 -16.538 843 HH22 ARG 108 2HH2 ARG 108 5.911 -5.037 -16.646 844 H GLY 109 H GLY 109 6.733 -4.040 -11.172 845 HA2 GLY 109 2HA GLY 109 4.646 -6.143 -11.428 846 HA3 GLY 109 3HA GLY 109 5.638 -5.662 -12.800 847 H GLN 110 H GLN 110 6.692 -6.018 -9.426 848 HA GLN 110 HA GLN 110 8.290 -8.403 -10.151 849 HB2 GLN 110 2HB GLN 110 9.387 -5.798 -9.716 850 HB3 GLN 110 3HB GLN 110 9.793 -6.716 -8.284 851 HG2 GLN 110 2HG GLN 110 11.626 -6.865 -9.825 852 HG3 GLN 110 3HG GLN 110 10.847 -8.442 -9.756 853 HE21 GLN 110 1HE2 GLN 110 9.721 -5.632 -11.643 854 HE22 GLN 110 2HE2 GLN 110 9.969 -6.373 -13.181 855 H GLU 111 H GLU 111 6.335 -9.285 -9.090 856 HA GLU 111 HA GLU 111 5.751 -9.081 -6.355 857 HB2 GLU 111 2HB GLU 111 4.566 -11.265 -6.658 858 HB3 GLU 111 3HB GLU 111 4.157 -10.069 -7.880 859 HG2 GLU 111 2HG GLU 111 5.590 -11.164 -9.519 860 HG3 GLU 111 3HG GLU 111 6.172 -12.300 -8.305 861 H GLN 112 H GLN 112 8.169 -11.036 -8.001 862 HA GLN 112 HA GLN 112 8.711 -12.858 -5.913 863 HB2 GLN 112 2HB GLN 112 10.685 -13.523 -7.090 864 HB3 GLN 112 3HB GLN 112 9.442 -13.208 -8.286 865 HG2 GLN 112 2HG GLN 112 11.460 -11.061 -7.638 866 HG3 GLN 112 3HG GLN 112 11.913 -12.406 -8.675 867 HE21 GLN 112 1HE2 GLN 112 12.277 -10.983 -10.388 868 HE22 GLN 112 2HE2 GLN 112 10.979 -10.271 -11.285 869 H LEU 113 H LEU 113 9.442 -9.521 -6.163 870 HA LEU 113 HA LEU 113 11.728 -9.611 -4.360 871 HB2 LEU 113 2HB LEU 113 10.248 -7.247 -5.577 872 HB3 LEU 113 3HB LEU 113 11.648 -7.106 -4.526 873 HG LEU 113 HG LEU 113 11.572 -8.252 -7.338 874 HD11 LEU 113 1HD1 LEU 113 13.077 -5.875 -6.187 875 HD12 LEU 113 2HD1 LEU 113 11.651 -5.806 -7.227 876 HD13 LEU 113 3HD1 LEU 113 13.165 -6.450 -7.856 877 HD21 LEU 113 3HD2 LEU 113 13.904 -8.310 -5.390 878 HD22 LEU 113 1HD2 LEU 113 13.995 -8.712 -7.108 879 HD23 LEU 113 2HD2 LEU 113 13.025 -9.702 -6.024 880 H LEU 114 H LEU 114 8.249 -9.298 -4.110 881 HA LEU 114 HA LEU 114 7.930 -7.816 -1.746 882 HB2 LEU 114 2HB LEU 114 6.284 -10.135 -2.820 883 HB3 LEU 114 3HB LEU 114 5.789 -9.174 -1.436 884 HG LEU 114 HG LEU 114 6.187 -8.054 -4.239 885 HD11 LEU 114 1HD1 LEU 114 3.739 -7.978 -4.375 886 HD12 LEU 114 2HD1 LEU 114 3.610 -8.783 -2.808 887 HD13 LEU 114 3HD1 LEU 114 4.316 -9.632 -4.186 888 HD21 LEU 114 3HD2 LEU 114 4.998 -6.789 -1.739 889 HD22 LEU 114 1HD2 LEU 114 5.013 -6.066 -3.351 890 HD23 LEU 114 2HD2 LEU 114 6.529 -6.359 -2.507 891 H GLU 115 H GLU 115 8.573 -11.245 -2.212 892 HA GLU 115 HA GLU 115 8.521 -11.934 0.583 893 HB2 GLU 115 2HB GLU 115 9.439 -14.152 -0.271 894 HB3 GLU 115 3HB GLU 115 7.864 -13.659 -0.875 895 HG2 GLU 115 2HG GLU 115 8.878 -12.924 -2.988 896 HG3 GLU 115 3HG GLU 115 10.473 -13.375 -2.394 897 H ASN 116 H ASN 116 10.852 -10.391 -1.303 898 HA ASN 116 HA ASN 116 13.082 -11.119 0.501 899 HB2 ASN 116 2HB ASN 116 13.069 -9.521 -2.109 900 HB3 ASN 116 3HB ASN 116 14.494 -9.785 -1.109 901 HD21 ASN 116 1HD2 ASN 116 12.188 -11.304 -3.233 902 HD22 ASN 116 2HD2 ASN 116 13.105 -12.732 -3.538 903 H ILE 117 H ILE 117 10.601 -8.860 0.125 904 HA ILE 117 HA ILE 117 11.910 -6.585 1.403 905 HB ILE 117 HB ILE 117 8.934 -7.119 0.878 906 HG12 ILE 117 2HG1 ILE 117 10.857 -5.298 -0.631 907 HG13 ILE 117 3HG1 ILE 117 10.234 -6.830 -1.213 908 HG21 ILE 117 1HG2 ILE 117 10.255 -4.541 1.799 909 HG22 ILE 117 2HG2 ILE 117 9.231 -5.590 2.782 910 HG23 ILE 117 3HG2 ILE 117 8.550 -4.743 1.396 911 HD11 ILE 117 3HD1 ILE 117 9.072 -4.997 -2.245 912 HD12 ILE 117 1HD1 ILE 117 8.609 -4.351 -0.672 913 HD13 ILE 117 2HD1 ILE 117 7.964 -5.904 -1.217 914 H LYS 118 H LYS 118 12.374 -6.751 3.587 915 HA LYS 118 HA LYS 118 10.849 -8.698 5.228 916 HB2 LYS 118 2HB LYS 118 13.765 -7.832 5.491 917 HB3 LYS 118 3HB LYS 118 12.936 -8.908 6.602 918 HG2 LYS 118 2HG LYS 118 13.419 -9.537 3.671 919 HG3 LYS 118 3HG LYS 118 14.484 -10.031 4.982 920 HD2 LYS 118 2HD LYS 118 13.219 -11.967 4.672 921 HD3 LYS 118 3HD LYS 118 12.325 -11.184 5.971 922 HE2 LYS 118 2HE LYS 118 10.712 -10.312 4.288 923 HE3 LYS 118 3HE LYS 118 11.605 -11.146 3.020 924 HZ1 LYS 118 3HZ LYS 118 9.670 -12.396 3.728 925 HZ2 LYS 118 1HZ LYS 118 10.249 -12.461 5.317 926 HZ3 LYS 118 2HZ LYS 118 11.086 -13.249 4.077 927 H ARG 119 H ARG 119 10.247 -8.064 7.262 928 HA ARG 119 HA ARG 119 10.191 -5.156 7.750 929 HB2 ARG 119 2HB ARG 119 8.305 -5.567 9.278 930 HB3 ARG 119 3HB ARG 119 7.980 -6.135 7.649 931 HG2 ARG 119 2HG ARG 119 8.368 -8.465 8.362 932 HG3 ARG 119 3HG ARG 119 8.726 -7.906 10.001 933 HD2 ARG 119 2HD ARG 119 6.432 -6.980 10.181 934 HD3 ARG 119 3HD ARG 119 6.075 -7.535 8.545 935 HE ARG 119 HE ARG 119 6.322 -9.157 10.960 936 HH11 ARG 119 1HH1 ARG 119 5.860 -9.152 7.472 937 HH12 ARG 119 2HH1 ARG 119 5.218 -10.762 7.451 938 HH21 ARG 119 1HH2 ARG 119 5.420 -11.232 10.903 939 HH22 ARG 119 2HH2 ARG 119 4.970 -11.929 9.379 940 H LYS 120 H LYS 120 12.108 -7.633 8.542 941 HA LYS 120 HA LYS 120 12.606 -6.806 11.331 942 HB2 LYS 120 2HB LYS 120 13.709 -9.196 9.776 943 HB3 LYS 120 3HB LYS 120 13.994 -8.847 11.475 944 HG2 LYS 120 2HG LYS 120 11.356 -9.608 10.202 945 HG3 LYS 120 3HG LYS 120 12.329 -10.599 11.286 946 HD2 LYS 120 2HD LYS 120 10.882 -8.019 12.013 947 HD3 LYS 120 3HD LYS 120 10.386 -9.646 12.465 948 HE2 LYS 120 2HE LYS 120 12.925 -8.252 13.390 949 HE3 LYS 120 3HE LYS 120 11.464 -8.472 14.348 950 HZ1 LYS 120 3HZ LYS 120 13.173 -10.661 13.298 951 HZ2 LYS 120 1HZ LYS 120 11.782 -10.854 14.239 952 HZ3 LYS 120 2HZ LYS 120 13.148 -10.106 14.894 953 H VAL 121 H VAL 121 15.197 -7.035 11.778 954 HA VAL 121 HA VAL 121 16.314 -4.859 10.190 955 HB VAL 121 HB VAL 121 18.005 -4.602 11.993 956 HG11 VAL 121 1HG1 VAL 121 15.895 -3.335 12.096 957 HG12 VAL 121 2HG1 VAL 121 16.462 -3.721 13.720 958 HG13 VAL 121 3HG1 VAL 121 15.133 -4.639 13.008 959 HG21 VAL 121 3HG2 VAL 121 16.529 -6.855 13.418 960 HG22 VAL 121 1HG2 VAL 121 17.759 -5.818 14.153 961 HG23 VAL 121 2HG2 VAL 121 18.191 -6.903 12.833 962 H THR 122 H THR 122 16.432 -6.480 8.464 963 HA THR 122 HA THR 122 18.763 -8.182 8.265 964 HB THR 122 HB THR 122 16.703 -8.642 6.981 965 HG1 THR 122 HG1 THR 122 17.825 -8.671 4.793 966 HG21 THR 122 3HG2 THR 122 17.293 -6.104 5.410 967 HG22 THR 122 1HG2 THR 122 15.948 -6.330 6.537 968 HG23 THR 122 2HG2 THR 122 16.025 -7.277 5.052 969 H SER 123 H SER 123 19.978 -7.442 5.820 970 HA SER 123 HA SER 123 21.630 -5.232 6.652 971 HB2 SER 123 2HB SER 123 22.835 -5.701 4.432 972 HB3 SER 123 3HB SER 123 22.791 -7.030 5.586 973 HG SER 123 HG SER 123 22.271 -7.805 3.553 974 H VAL 124 H VAL 124 19.856 -3.699 6.741 975 HA VAL 124 HA VAL 124 19.576 -2.089 4.289 976 HB VAL 124 HB VAL 124 17.171 -1.556 4.898 977 HG11 VAL 124 1HG1 VAL 124 16.148 -3.594 3.945 978 HG12 VAL 124 2HG1 VAL 124 17.654 -4.479 4.214 979 HG13 VAL 124 3HG1 VAL 124 17.612 -3.133 3.073 980 HG21 VAL 124 3HG2 VAL 124 15.910 -3.078 6.402 981 HG22 VAL 124 1HG2 VAL 124 17.199 -2.237 7.267 982 HG23 VAL 124 2HG2 VAL 124 17.407 -3.925 6.802 983 H SER 125 H SER 125 19.146 0.188 4.803 984 HA SER 125 HA SER 125 20.196 1.039 7.413 985 HB2 SER 125 2HB SER 125 19.595 2.631 4.881 986 HB3 SER 125 3HB SER 125 20.310 3.294 6.350 987 HG SER 125 HG SER 125 22.005 1.690 6.048 Start of MODEL 19 1 H1 MET 1 1H MET 1 29.621 -44.155 -10.551 2 H2 MET 1 2H MET 1 30.242 -42.905 -9.596 3 H3 MET 1 3H MET 1 28.895 -42.629 -10.572 4 HA MET 1 HA MET 1 27.550 -44.090 -9.296 5 HB2 MET 1 2HB MET 1 30.093 -44.572 -7.683 6 HB3 MET 1 3HB MET 1 28.496 -45.091 -7.157 7 HG2 MET 1 2HG MET 1 29.904 -46.030 -9.664 8 HG3 MET 1 3HG MET 1 29.776 -46.932 -8.151 9 HE1 MET 1 3HE MET 1 27.374 -48.882 -10.604 10 HE2 MET 1 1HE MET 1 28.772 -49.015 -9.539 11 HE3 MET 1 2HE MET 1 28.888 -48.084 -11.034 12 H GLY 2 H GLY 2 26.426 -43.401 -7.431 13 HA2 GLY 2 2HA GLY 2 26.994 -41.783 -5.361 14 HA3 GLY 2 3HA GLY 2 26.839 -40.619 -6.681 15 H HIS 3 H HIS 3 25.123 -41.707 -4.219 16 HA HIS 3 HA HIS 3 22.560 -42.147 -5.603 17 HB2 HIS 3 2HB HIS 3 23.252 -42.271 -2.635 18 HB3 HIS 3 3HB HIS 3 21.687 -42.688 -3.340 19 HD1 HIS 3 HD1 HIS 3 24.672 -44.292 -2.196 20 HD2 HIS 3 HD2 HIS 3 22.118 -44.884 -5.429 21 HE1 HIS 3 HE1 HIS 3 25.122 -46.633 -2.997 22 HE2 HIS 3 HE2 HIS 3 23.558 -46.969 -4.939 23 H HIS 4 H HIS 4 20.628 -40.946 -4.607 24 HA HIS 4 HA HIS 4 20.903 -38.229 -5.315 25 HB2 HIS 4 2HB HIS 4 18.585 -39.660 -3.949 26 HB3 HIS 4 3HB HIS 4 18.498 -38.008 -4.548 27 HD1 HIS 4 HD1 HIS 4 17.461 -37.842 -6.771 28 HD2 HIS 4 HD2 HIS 4 19.303 -41.530 -6.255 29 HE1 HIS 4 HE1 HIS 4 16.940 -39.149 -8.845 30 HE2 HIS 4 HE2 HIS 4 18.208 -41.297 -8.581 31 H HIS 5 H HIS 5 22.362 -37.178 -3.996 32 HA HIS 5 HA HIS 5 21.627 -36.694 -1.164 33 HB2 HIS 5 2HB HIS 5 24.239 -36.254 -2.684 34 HB3 HIS 5 3HB HIS 5 23.951 -35.567 -1.088 35 HD1 HIS 5 HD1 HIS 5 26.038 -37.006 -0.323 36 HD2 HIS 5 HD2 HIS 5 22.727 -39.240 -1.474 37 HE1 HIS 5 HE1 HIS 5 26.439 -39.320 0.579 38 HE2 HIS 5 HE2 HIS 5 24.466 -40.657 -0.214 39 H HIS 6 H HIS 6 21.472 -34.566 -0.407 40 HA HIS 6 HA HIS 6 21.028 -32.365 -0.320 41 HB2 HIS 6 2HB HIS 6 22.171 -32.135 -3.136 42 HB3 HIS 6 3HB HIS 6 21.926 -30.812 -1.999 43 HD1 HIS 6 HD1 HIS 6 24.530 -32.872 -3.251 44 HD2 HIS 6 HD2 HIS 6 23.595 -31.371 0.513 45 HE1 HIS 6 HE1 HIS 6 26.643 -33.050 -1.908 46 HE2 HIS 6 HE2 HIS 6 26.000 -32.295 0.395 47 H HIS 7 H HIS 7 19.232 -34.426 -1.858 48 HA HIS 7 HA HIS 7 17.700 -32.791 -3.669 49 HB2 HIS 7 2HB HIS 7 16.242 -34.712 -3.975 50 HB3 HIS 7 3HB HIS 7 17.912 -35.262 -3.992 51 HD1 HIS 7 HD1 HIS 7 14.671 -35.847 -2.384 52 HD2 HIS 7 HD2 HIS 7 18.656 -36.709 -1.561 53 HE1 HIS 7 HE1 HIS 7 14.630 -37.652 -0.638 54 HE2 HIS 7 HE2 HIS 7 17.036 -37.997 -0.012 55 H HIS 8 H HIS 8 16.208 -31.360 -3.096 56 HA HIS 8 HA HIS 8 14.499 -31.698 -0.744 57 HB2 HIS 8 2HB HIS 8 15.036 -29.498 0.203 58 HB3 HIS 8 3HB HIS 8 16.518 -30.439 0.072 59 HD1 HIS 8 HD1 HIS 8 18.275 -29.646 -1.725 60 HD2 HIS 8 HD2 HIS 8 14.980 -27.147 -1.312 61 HE1 HIS 8 HE1 HIS 8 18.899 -27.505 -2.878 62 HE2 HIS 8 HE2 HIS 8 16.988 -25.949 -2.397 63 H SER 9 H SER 9 12.928 -29.738 -0.677 64 HA SER 9 HA SER 9 12.273 -28.664 -3.345 65 HB2 SER 9 2HB SER 9 10.297 -30.020 -1.441 66 HB3 SER 9 3HB SER 9 9.851 -29.158 -2.915 67 HG SER 9 HG SER 9 11.438 -30.732 -3.920 68 H HIS 10 H HIS 10 11.997 -26.504 -3.229 69 HA HIS 10 HA HIS 10 12.285 -25.030 -0.867 70 HB2 HIS 10 2HB HIS 10 11.584 -23.028 -2.271 71 HB3 HIS 10 3HB HIS 10 12.924 -23.968 -2.907 72 HD1 HIS 10 HD1 HIS 10 9.408 -22.965 -3.667 73 HD2 HIS 10 HD2 HIS 10 12.398 -25.292 -5.377 74 HE1 HIS 10 HE1 HIS 10 8.662 -23.406 -6.017 75 HE2 HIS 10 HE2 HIS 10 10.439 -24.870 -7.013 76 H MET 11 H MET 11 9.317 -25.190 -2.871 77 HA MET 11 HA MET 11 7.561 -26.124 -0.996 78 HB2 MET 11 2HB MET 11 6.246 -24.233 -0.224 79 HB3 MET 11 3HB MET 11 7.918 -23.963 0.245 80 HG2 MET 11 2HG MET 11 6.559 -22.669 -2.123 81 HG3 MET 11 3HG MET 11 6.781 -21.919 -0.546 82 HE1 MET 11 3HE MET 11 7.664 -20.559 -3.259 83 HE2 MET 11 1HE MET 11 9.250 -19.931 -2.820 84 HE3 MET 11 2HE MET 11 7.911 -19.819 -1.676 85 H ALA 12 H ALA 12 5.465 -26.309 -1.845 86 HA ALA 12 HA ALA 12 4.963 -25.296 -4.584 87 HB1 ALA 12 3HB ALA 12 4.011 -27.496 -5.191 88 HB2 ALA 12 1HB ALA 12 4.450 -28.136 -3.606 89 HB3 ALA 12 2HB ALA 12 5.710 -27.652 -4.742 90 H GLY 13 H GLY 13 4.159 -24.062 -2.252 91 HA2 GLY 13 2HA GLY 13 1.402 -23.719 -2.501 92 HA3 GLY 13 3HA GLY 13 1.658 -24.869 -1.190 93 HA PRO 14 HA PRO 14 2.488 -21.648 1.782 94 HB2 PRO 14 2HB PRO 14 5.134 -22.883 2.530 95 HB3 PRO 14 3HB PRO 14 3.704 -22.577 3.541 96 HG2 PRO 14 2HG PRO 14 4.285 -25.058 2.800 97 HG3 PRO 14 3HG PRO 14 2.593 -24.500 2.810 98 HD2 PRO 14 2HD PRO 14 4.468 -24.782 0.452 99 HD3 PRO 14 3HD PRO 14 2.765 -25.279 0.603 100 H SER 15 H SER 15 2.772 -19.940 0.258 101 HA SER 15 HA SER 15 5.227 -19.325 -1.044 102 HB2 SER 15 2HB SER 15 3.047 -18.612 -1.945 103 HB3 SER 15 3HB SER 15 2.784 -17.578 -0.540 104 HG SER 15 HG SER 15 4.590 -17.262 -2.681 105 H ASN 16 H ASN 16 6.936 -18.131 -0.414 106 HA ASN 16 HA ASN 16 7.100 -17.182 2.332 107 HB2 ASN 16 2HB ASN 16 9.546 -16.721 1.685 108 HB3 ASN 16 3HB ASN 16 9.019 -18.390 1.691 109 HD21 ASN 16 1HD2 ASN 16 8.347 -16.119 -0.961 110 HD22 ASN 16 2HD2 ASN 16 9.344 -16.930 -2.101 111 H VAL 17 H VAL 17 6.130 -15.775 -0.566 112 HA VAL 17 HA VAL 17 6.759 -13.030 -0.008 113 HB VAL 17 HB VAL 17 4.357 -14.193 -1.521 114 HG11 VAL 17 1HG1 VAL 17 4.095 -11.945 -2.522 115 HG12 VAL 17 2HG1 VAL 17 5.404 -11.336 -1.511 116 HG13 VAL 17 3HG1 VAL 17 3.905 -11.890 -0.767 117 HG21 VAL 17 3HG2 VAL 17 5.600 -13.689 -3.589 118 HG22 VAL 17 1HG2 VAL 17 6.492 -14.828 -2.578 119 HG23 VAL 17 2HG2 VAL 17 6.981 -13.133 -2.639 120 HA PRO 18 HA PRO 18 4.199 -12.876 3.839 121 HB2 PRO 18 2HB PRO 18 4.430 -9.910 3.248 122 HB3 PRO 18 3HB PRO 18 4.702 -10.776 4.777 123 HG2 PRO 18 2HG PRO 18 6.782 -9.945 3.379 124 HG3 PRO 18 3HG PRO 18 6.812 -11.567 4.118 125 HD2 PRO 18 2HD PRO 18 6.325 -10.816 1.235 126 HD3 PRO 18 3HD PRO 18 7.271 -12.168 1.907 127 H ALA 19 H ALA 19 2.011 -12.922 4.092 128 HA ALA 19 HA ALA 19 0.187 -12.789 2.035 129 HB1 ALA 19 3HB ALA 19 -0.363 -12.431 5.003 130 HB2 ALA 19 1HB ALA 19 -0.181 -13.975 4.167 131 HB3 ALA 19 2HB ALA 19 -1.542 -12.921 3.781 132 H PHE 20 H PHE 20 0.890 -10.265 4.478 133 HA PHE 20 HA PHE 20 -0.968 -8.353 3.747 134 HB2 PHE 20 2HB PHE 20 0.510 -8.268 5.775 135 HB3 PHE 20 3HB PHE 20 1.869 -7.828 4.752 136 HD1 PHE 20 HD1 PHE 20 2.010 -5.544 3.774 137 HD2 PHE 20 HD2 PHE 20 -1.279 -6.657 6.282 138 HE1 PHE 20 HE1 PHE 20 1.378 -3.186 4.004 139 HE2 PHE 20 HE2 PHE 20 -1.898 -4.282 6.504 140 HZ PHE 20 HZ PHE 20 -0.561 -2.554 5.363 141 H LEU 21 H LEU 21 2.213 -9.040 2.268 142 HA LEU 21 HA LEU 21 2.240 -6.610 0.693 143 HB2 LEU 21 2HB LEU 21 4.075 -9.033 0.722 144 HB3 LEU 21 3HB LEU 21 4.307 -7.680 -0.374 145 HG LEU 21 HG LEU 21 4.463 -7.570 2.664 146 HD11 LEU 21 1HD1 LEU 21 6.400 -8.646 1.611 147 HD12 LEU 21 2HD1 LEU 21 6.838 -7.095 2.316 148 HD13 LEU 21 3HD1 LEU 21 6.637 -7.240 0.567 149 HD21 LEU 21 3HD2 LEU 21 5.136 -5.209 2.388 150 HD22 LEU 21 1HD2 LEU 21 3.487 -5.490 1.830 151 HD23 LEU 21 2HD2 LEU 21 4.796 -5.309 0.658 152 H THR 22 H THR 22 1.447 -10.022 0.089 153 HA THR 22 HA THR 22 1.208 -9.670 -2.748 154 HB THR 22 HB THR 22 1.673 -11.900 -1.763 155 HG1 THR 22 HG1 THR 22 0.308 -11.412 -3.838 156 HG21 THR 22 3HG2 THR 22 -1.218 -11.900 -0.860 157 HG22 THR 22 1HG2 THR 22 0.191 -11.809 0.202 158 HG23 THR 22 2HG2 THR 22 -0.094 -13.257 -0.763 159 H LYS 23 H LYS 23 -1.113 -9.548 -0.025 160 HA LYS 23 HA LYS 23 -3.439 -9.129 -1.641 161 HB2 LYS 23 2HB LYS 23 -2.916 -8.437 1.285 162 HB3 LYS 23 3HB LYS 23 -4.491 -8.339 0.518 163 HG2 LYS 23 2HG LYS 23 -2.947 -10.936 0.654 164 HG3 LYS 23 3HG LYS 23 -3.964 -10.391 1.980 165 HD2 LYS 23 2HD LYS 23 -5.273 -11.932 0.724 166 HD3 LYS 23 3HD LYS 23 -5.910 -10.338 0.337 167 HE2 LYS 23 2HE LYS 23 -4.807 -10.366 -1.820 168 HE3 LYS 23 3HE LYS 23 -3.947 -11.849 -1.414 169 HZ1 LYS 23 3HZ LYS 23 -6.900 -11.616 -1.689 170 HZ2 LYS 23 1HZ LYS 23 -6.038 -13.035 -1.374 171 HZ3 LYS 23 2HZ LYS 23 -5.858 -12.251 -2.860 172 H LEU 24 H LEU 24 -1.105 -6.994 -0.028 173 HA LEU 24 HA LEU 24 -2.147 -4.508 -0.647 174 HB2 LEU 24 2HB LEU 24 -0.210 -4.819 0.834 175 HB3 LEU 24 3HB LEU 24 0.762 -5.383 -0.517 176 HG LEU 24 HG LEU 24 0.531 -3.083 -1.558 177 HD11 LEU 24 1HD1 LEU 24 -0.172 -1.198 -0.165 178 HD12 LEU 24 2HD1 LEU 24 -0.685 -2.309 1.107 179 HD13 LEU 24 3HD1 LEU 24 -1.496 -2.320 -0.462 180 HD21 LEU 24 3HD2 LEU 24 1.870 -3.186 1.162 181 HD22 LEU 24 1HD2 LEU 24 2.215 -2.028 -0.127 182 HD23 LEU 24 2HD2 LEU 24 2.560 -3.738 -0.367 183 H TRP 25 H TRP 25 0.234 -6.406 -2.608 184 HA TRP 25 HA TRP 25 0.336 -4.556 -4.723 185 HB2 TRP 25 2HB TRP 25 2.110 -6.205 -4.559 186 HB3 TRP 25 3HB TRP 25 0.975 -7.540 -4.749 187 HD1 TRP 25 HD1 TRP 25 1.508 -8.597 -7.066 188 HE1 TRP 25 HE1 TRP 25 1.800 -7.737 -9.464 189 HE3 TRP 25 HE3 TRP 25 1.361 -3.528 -6.180 190 HZ2 TRP 25 HZ2 TRP 25 1.925 -5.273 -10.812 191 HZ3 TRP 25 HZ3 TRP 25 1.570 -1.996 -8.090 192 HH2 TRP 25 HH2 TRP 25 1.848 -2.853 -10.360 193 H THR 26 H THR 26 -1.760 -7.414 -4.287 194 HA THR 26 HA THR 26 -3.179 -7.315 -6.711 195 HB THR 26 HB THR 26 -4.155 -8.209 -3.960 196 HG1 THR 26 HG1 THR 26 -2.216 -9.231 -5.042 197 HG21 THR 26 3HG2 THR 26 -6.068 -7.927 -5.507 198 HG22 THR 26 1HG2 THR 26 -5.773 -9.638 -5.183 199 HG23 THR 26 2HG2 THR 26 -5.252 -8.926 -6.711 200 H LEU 27 H LEU 27 -3.557 -5.488 -3.703 201 HA LEU 27 HA LEU 27 -6.089 -4.282 -4.219 202 HB2 LEU 27 2HB LEU 27 -5.217 -4.607 -1.954 203 HB3 LEU 27 3HB LEU 27 -3.812 -3.617 -2.306 204 HG LEU 27 HG LEU 27 -5.242 -1.607 -2.449 205 HD11 LEU 27 1HD1 LEU 27 -7.278 -2.732 -3.278 206 HD12 LEU 27 2HD1 LEU 27 -7.580 -1.655 -1.926 207 HD13 LEU 27 3HD1 LEU 27 -7.546 -3.397 -1.663 208 HD21 LEU 27 3HD2 LEU 27 -5.636 -3.178 0.128 209 HD22 LEU 27 1HD2 LEU 27 -5.827 -1.430 -0.053 210 HD23 LEU 27 2HD2 LEU 27 -4.244 -2.171 -0.281 211 H VAL 28 H VAL 28 -2.757 -3.057 -4.370 212 HA VAL 28 HA VAL 28 -3.221 -0.426 -5.217 213 HB VAL 28 HB VAL 28 -0.780 -2.231 -5.626 214 HG11 VAL 28 1HG1 VAL 28 0.558 -0.186 -5.897 215 HG12 VAL 28 2HG1 VAL 28 -0.907 0.795 -5.820 216 HG13 VAL 28 3HG1 VAL 28 -0.662 -0.318 -7.166 217 HG21 VAL 28 3HG2 VAL 28 -1.406 -1.910 -3.252 218 HG22 VAL 28 1HG2 VAL 28 -1.298 -0.164 -3.460 219 HG23 VAL 28 2HG2 VAL 28 0.147 -1.164 -3.625 220 H SER 29 H SER 29 -2.948 -3.435 -6.997 221 HA SER 29 HA SER 29 -2.741 -2.199 -9.620 222 HB2 SER 29 2HB SER 29 -1.424 -4.213 -9.094 223 HB3 SER 29 3HB SER 29 -2.895 -5.119 -8.758 224 HG SER 29 HG SER 29 -2.508 -3.905 -11.272 225 H ASP 30 H ASP 30 -5.305 -3.347 -7.536 226 HA ASP 30 HA ASP 30 -6.978 -4.518 -9.527 227 HB2 ASP 30 2HB ASP 30 -7.013 -5.012 -6.988 228 HB3 ASP 30 3HB ASP 30 -7.966 -3.548 -6.805 229 HA PRO 31 HA PRO 31 -8.677 -0.687 -11.192 230 HB2 PRO 31 2HB PRO 31 -10.541 -1.714 -12.904 231 HB3 PRO 31 3HB PRO 31 -8.797 -1.884 -13.191 232 HG2 PRO 31 2HG PRO 31 -10.693 -3.878 -11.990 233 HG3 PRO 31 3HG PRO 31 -9.461 -4.127 -13.247 234 HD2 PRO 31 2HD PRO 31 -9.017 -4.767 -10.643 235 HD3 PRO 31 3HD PRO 31 -7.711 -4.201 -11.710 236 H ASP 32 H ASP 32 -10.473 -2.686 -9.060 237 HA ASP 32 HA ASP 32 -12.840 -0.967 -9.012 238 HB2 ASP 32 2HB ASP 32 -13.082 -3.366 -8.491 239 HB3 ASP 32 3HB ASP 32 -11.965 -3.219 -7.143 240 H THR 33 H THR 33 -9.792 -1.225 -7.320 241 HA THR 33 HA THR 33 -10.640 0.722 -5.243 242 HB THR 33 HB THR 33 -8.750 -0.337 -3.871 243 HG1 THR 33 HG1 THR 33 -7.598 -1.469 -5.392 244 HG21 THR 33 3HG2 THR 33 -11.071 -2.151 -4.642 245 HG22 THR 33 1HG2 THR 33 -11.124 -0.889 -3.408 246 HG23 THR 33 2HG2 THR 33 -10.090 -2.303 -3.184 247 H ASP 34 H ASP 34 -8.934 0.639 -8.037 248 HA ASP 34 HA ASP 34 -6.412 1.766 -7.497 249 HB2 ASP 34 2HB ASP 34 -6.287 2.293 -9.853 250 HB3 ASP 34 3HB ASP 34 -7.140 0.761 -9.699 251 H ALA 35 H ALA 35 -9.565 3.200 -7.601 252 HA ALA 35 HA ALA 35 -8.965 5.918 -7.981 253 HB1 ALA 35 3HB ALA 35 -11.239 5.001 -8.157 254 HB2 ALA 35 1HB ALA 35 -11.193 6.364 -7.037 255 HB3 ALA 35 2HB ALA 35 -11.268 4.710 -6.418 256 H LEU 36 H LEU 36 -8.826 3.923 -5.074 257 HA LEU 36 HA LEU 36 -8.133 6.275 -3.410 258 HB2 LEU 36 2HB LEU 36 -9.168 3.543 -2.553 259 HB3 LEU 36 3HB LEU 36 -8.686 4.818 -1.446 260 HG LEU 36 HG LEU 36 -11.065 4.858 -3.338 261 HD11 LEU 36 1HD1 LEU 36 -12.410 4.987 -1.291 262 HD12 LEU 36 2HD1 LEU 36 -10.946 4.910 -0.305 263 HD13 LEU 36 3HD1 LEU 36 -11.411 3.534 -1.308 264 HD21 LEU 36 3HD2 LEU 36 -11.606 7.088 -2.423 265 HD22 LEU 36 1HD2 LEU 36 -10.091 7.089 -3.326 266 HD23 LEU 36 2HD2 LEU 36 -10.064 7.107 -1.562 267 H ILE 37 H ILE 37 -6.778 3.462 -4.865 268 HA ILE 37 HA ILE 37 -4.194 4.134 -3.736 269 HB ILE 37 HB ILE 37 -5.081 2.632 -2.006 270 HG12 ILE 37 2HG1 ILE 37 -2.856 1.240 -3.561 271 HG13 ILE 37 3HG1 ILE 37 -2.630 2.636 -2.511 272 HG21 ILE 37 1HG2 ILE 37 -5.297 0.458 -4.111 273 HG22 ILE 37 2HG2 ILE 37 -6.652 1.305 -3.364 274 HG23 ILE 37 3HG2 ILE 37 -5.608 0.280 -2.379 275 HD11 ILE 37 3HD1 ILE 37 -1.979 0.599 -1.388 276 HD12 ILE 37 1HD1 ILE 37 -3.583 -0.095 -1.630 277 HD13 ILE 37 2HD1 ILE 37 -3.374 1.316 -0.586 278 H CYS 38 H CYS 38 -2.859 4.150 -5.402 279 HA CYS 38 HA CYS 38 -2.909 2.064 -7.465 280 HB2 CYS 38 2HB CYS 38 -2.908 3.731 -9.294 281 HB3 CYS 38 3HB CYS 38 -4.384 3.861 -8.340 282 HG CYS 38 HG CYS 38 -4.174 6.395 -7.997 283 H TRP 39 H TRP 39 -0.949 1.945 -8.651 284 HA TRP 39 HA TRP 39 1.398 2.813 -7.158 285 HB2 TRP 39 2HB TRP 39 2.662 1.432 -8.921 286 HB3 TRP 39 3HB TRP 39 1.560 0.541 -7.882 287 HD1 TRP 39 HD1 TRP 39 -0.753 -0.373 -9.046 288 HE1 TRP 39 HE1 TRP 39 -1.268 -0.985 -11.485 289 HE3 TRP 39 HE3 TRP 39 3.160 1.986 -11.333 290 HZ2 TRP 39 HZ2 TRP 39 -0.173 -0.535 -14.040 291 HZ3 TRP 39 HZ3 TRP 39 3.364 1.854 -13.780 292 HH2 TRP 39 HH2 TRP 39 1.728 0.612 -15.112 293 H SER 40 H SER 40 3.172 3.898 -8.164 294 HA SER 40 HA SER 40 2.329 6.168 -9.777 295 HB2 SER 40 2HB SER 40 5.056 5.540 -8.537 296 HB3 SER 40 3HB SER 40 4.509 7.106 -9.142 297 HG SER 40 HG SER 40 3.187 5.736 -7.037 298 HA PRO 41 HA PRO 41 3.957 4.555 -13.693 299 HB2 PRO 41 2HB PRO 41 5.304 6.734 -14.782 300 HB3 PRO 41 3HB PRO 41 3.539 6.556 -14.789 301 HG2 PRO 41 2HG PRO 41 5.256 8.105 -12.870 302 HG3 PRO 41 3HG PRO 41 3.745 8.597 -13.671 303 HD2 PRO 41 2HD PRO 41 3.723 7.767 -11.119 304 HD3 PRO 41 3HD PRO 41 2.405 7.302 -12.225 305 H SER 42 H SER 42 6.147 5.781 -11.300 306 HA SER 42 HA SER 42 8.598 4.760 -12.387 307 HB2 SER 42 2HB SER 42 9.436 5.070 -10.044 308 HB3 SER 42 3HB SER 42 8.596 6.502 -10.643 309 HG SER 42 HG SER 42 7.775 6.136 -8.628 310 H GLY 43 H GLY 43 6.038 3.506 -10.279 311 HA2 GLY 43 2HA GLY 43 5.334 1.322 -10.022 312 HA3 GLY 43 3HA GLY 43 6.794 0.741 -10.801 313 H ASN 44 H ASN 44 7.849 2.893 -8.563 314 HA ASN 44 HA ASN 44 8.618 0.715 -6.726 315 HB2 ASN 44 2HB ASN 44 10.616 2.148 -6.193 316 HB3 ASN 44 3HB ASN 44 10.550 1.580 -7.850 317 HD21 ASN 44 1HD2 ASN 44 8.873 4.451 -6.432 318 HD22 ASN 44 2HD2 ASN 44 9.674 5.579 -7.449 319 H SER 45 H SER 45 6.252 2.671 -6.735 320 HA SER 45 HA SER 45 6.092 3.147 -3.930 321 HB2 SER 45 2HB SER 45 5.885 5.646 -4.105 322 HB3 SER 45 3HB SER 45 7.507 5.080 -4.503 323 HG SER 45 HG SER 45 5.654 6.366 -6.071 324 H PHE 46 H PHE 46 3.945 3.738 -3.314 325 HA PHE 46 HA PHE 46 1.928 4.050 -5.454 326 HB2 PHE 46 2HB PHE 46 0.443 2.370 -4.440 327 HB3 PHE 46 3HB PHE 46 1.965 1.633 -4.914 328 HD1 PHE 46 HD2 PHE 46 3.619 0.929 -3.158 329 HD2 PHE 46 HD1 PHE 46 -0.260 2.403 -2.100 330 HE1 PHE 46 HE2 PHE 46 3.868 -0.001 -0.897 331 HE2 PHE 46 HE1 PHE 46 0.008 1.466 0.159 332 HZ PHE 46 HZ PHE 46 2.070 0.266 0.762 333 H HIS 47 H HIS 47 0.016 5.106 -4.782 334 HA HIS 47 HA HIS 47 0.389 6.843 -2.418 335 HB2 HIS 47 2HB HIS 47 -1.197 7.258 -4.996 336 HB3 HIS 47 3HB HIS 47 -1.293 8.346 -3.613 337 HD1 HIS 47 HD1 HIS 47 0.154 10.323 -3.876 338 HD2 HIS 47 HD2 HIS 47 1.739 7.049 -5.859 339 HE1 HIS 47 HE1 HIS 47 2.257 11.143 -4.940 340 HE2 HIS 47 HE2 HIS 47 3.301 9.092 -5.932 341 H VAL 48 H VAL 48 -1.255 7.120 -0.983 342 HA VAL 48 HA VAL 48 -3.632 5.370 -1.143 343 HB VAL 48 HB VAL 48 -2.002 6.068 1.356 344 HG11 VAL 48 1HG1 VAL 48 -3.573 4.633 2.602 345 HG12 VAL 48 2HG1 VAL 48 -4.547 4.422 1.145 346 HG13 VAL 48 3HG1 VAL 48 -4.394 6.019 1.883 347 HG21 VAL 48 3HG2 VAL 48 -1.527 3.642 1.506 348 HG22 VAL 48 1HG2 VAL 48 -0.910 4.326 0.000 349 HG23 VAL 48 2HG2 VAL 48 -2.395 3.373 -0.009 350 H PHE 49 H PHE 49 -5.388 6.560 -1.249 351 HA PHE 49 HA PHE 49 -5.375 9.417 -0.480 352 HB2 PHE 49 2HB PHE 49 -6.446 8.023 -2.946 353 HB3 PHE 49 3HB PHE 49 -7.243 9.489 -2.386 354 HD1 PHE 49 HD2 PHE 49 -5.859 11.607 -2.141 355 HD2 PHE 49 HD1 PHE 49 -4.447 8.178 -4.272 356 HE1 PHE 49 HE2 PHE 49 -4.239 13.014 -3.329 357 HE2 PHE 49 HE1 PHE 49 -2.822 9.602 -5.463 358 HZ PHE 49 HZ PHE 49 -2.724 12.018 -4.988 359 H ASP 50 H ASP 50 -7.209 10.298 0.379 360 HA ASP 50 HA ASP 50 -9.013 10.449 1.753 361 HB2 ASP 50 2HB ASP 50 -10.178 8.328 -0.120 362 HB3 ASP 50 3HB ASP 50 -11.104 9.333 0.989 363 H GLN 51 H GLN 51 -7.264 9.238 3.077 364 HA GLN 51 HA GLN 51 -7.299 6.531 3.587 365 HB2 GLN 51 2HB GLN 51 -6.366 8.841 5.315 366 HB3 GLN 51 3HB GLN 51 -6.069 7.150 5.712 367 HG2 GLN 51 2HG GLN 51 -4.837 6.868 3.569 368 HG3 GLN 51 3HG GLN 51 -5.082 8.577 3.211 369 HE21 GLN 51 1HE2 GLN 51 -3.386 6.275 5.206 370 HE22 GLN 51 2HE2 GLN 51 -2.213 7.374 5.838 371 H GLY 52 H GLY 52 -9.443 8.958 4.972 372 HA2 GLY 52 2HA GLY 52 -10.474 7.479 7.152 373 HA3 GLY 52 3HA GLY 52 -11.298 8.773 6.293 374 H GLN 53 H GLN 53 -11.646 7.831 3.779 375 HA GLN 53 HA GLN 53 -13.817 5.950 4.018 376 HB2 GLN 53 2HB GLN 53 -13.824 7.874 2.442 377 HB3 GLN 53 3HB GLN 53 -12.485 7.159 1.552 378 HG2 GLN 53 2HG GLN 53 -14.502 6.767 0.304 379 HG3 GLN 53 3HG GLN 53 -13.996 5.219 0.987 380 HE21 GLN 53 1HE2 GLN 53 -16.080 4.345 0.873 381 HE22 GLN 53 2HE2 GLN 53 -17.375 4.877 1.885 382 H PHE 54 H PHE 54 -10.482 5.842 2.955 383 HA PHE 54 HA PHE 54 -10.474 3.399 1.554 384 HB2 PHE 54 2HB PHE 54 -8.720 5.073 1.230 385 HB3 PHE 54 3HB PHE 54 -8.280 5.021 2.929 386 HD1 PHE 54 HD2 PHE 54 -8.142 3.135 -0.273 387 HD2 PHE 54 HD1 PHE 54 -6.710 3.375 3.749 388 HE1 PHE 54 HE2 PHE 54 -6.424 1.453 -0.766 389 HE2 PHE 54 HE1 PHE 54 -4.988 1.692 3.236 390 HZ PHE 54 HZ PHE 54 -4.848 0.727 0.976 391 H ALA 55 H ALA 55 -9.372 4.214 4.855 392 HA ALA 55 HA ALA 55 -8.810 1.556 5.628 393 HB1 ALA 55 3HB ALA 55 -7.804 3.502 6.745 394 HB2 ALA 55 1HB ALA 55 -8.613 2.451 7.909 395 HB3 ALA 55 2HB ALA 55 -9.379 3.955 7.395 396 H LYS 56 H LYS 56 -11.732 3.388 5.585 397 HA LYS 56 HA LYS 56 -13.379 2.006 7.395 398 HB2 LYS 56 2HB LYS 56 -13.986 4.185 6.586 399 HB3 LYS 56 3HB LYS 56 -13.840 3.681 4.914 400 HG2 LYS 56 2HG LYS 56 -15.900 2.138 5.465 401 HG3 LYS 56 3HG LYS 56 -16.103 3.234 6.834 402 HD2 LYS 56 2HD LYS 56 -16.181 5.167 5.282 403 HD3 LYS 56 3HD LYS 56 -15.958 4.068 3.913 404 HE2 LYS 56 2HE LYS 56 -18.332 4.131 5.794 405 HE3 LYS 56 3HE LYS 56 -18.307 4.715 4.134 406 HZ1 LYS 56 3HZ LYS 56 -17.820 2.417 3.432 407 HZ2 LYS 56 1HZ LYS 56 -19.309 2.555 4.218 408 HZ3 LYS 56 2HZ LYS 56 -17.985 1.903 5.033 409 H GLU 57 H GLU 57 -13.153 1.626 3.832 410 HA GLU 57 HA GLU 57 -14.775 -0.857 4.031 411 HB2 GLU 57 2HB GLU 57 -15.397 -0.366 1.613 412 HB3 GLU 57 3HB GLU 57 -16.013 0.765 2.808 413 HG2 GLU 57 2HG GLU 57 -14.675 2.501 2.091 414 HG3 GLU 57 3HG GLU 57 -13.428 1.449 1.463 415 H VAL 58 H VAL 58 -11.757 0.395 2.752 416 HA VAL 58 HA VAL 58 -11.444 -1.746 0.787 417 HB VAL 58 HB VAL 58 -9.606 0.594 1.500 418 HG11 VAL 58 1HG1 VAL 58 -9.511 -1.304 -0.868 419 HG12 VAL 58 2HG1 VAL 58 -8.328 -1.179 0.437 420 HG13 VAL 58 3HG1 VAL 58 -8.532 0.157 -0.696 421 HG21 VAL 58 3HG2 VAL 58 -11.613 0.338 -0.775 422 HG22 VAL 58 1HG2 VAL 58 -10.502 1.692 -0.528 423 HG23 VAL 58 2HG2 VAL 58 -11.780 1.370 0.645 424 H LEU 59 H LEU 59 -9.801 -0.599 3.766 425 HA LEU 59 HA LEU 59 -7.781 -2.555 3.839 426 HB2 LEU 59 2HB LEU 59 -8.978 -0.847 6.028 427 HB3 LEU 59 3HB LEU 59 -7.754 -2.043 6.396 428 HG LEU 59 HG LEU 59 -7.454 0.482 4.744 429 HD11 LEU 59 1HD1 LEU 59 -5.991 -0.524 7.208 430 HD12 LEU 59 2HD1 LEU 59 -7.240 0.721 7.169 431 HD13 LEU 59 3HD1 LEU 59 -5.696 1.005 6.373 432 HD21 LEU 59 3HD2 LEU 59 -5.457 -1.803 4.905 433 HD22 LEU 59 1HD2 LEU 59 -5.140 -0.204 4.227 434 HD23 LEU 59 2HD2 LEU 59 -6.327 -1.258 3.467 435 HA PRO 60 HA PRO 60 -10.559 -5.346 6.707 436 HB2 PRO 60 2HB PRO 60 -13.272 -4.934 6.831 437 HB3 PRO 60 3HB PRO 60 -12.134 -4.104 7.909 438 HG2 PRO 60 2HG PRO 60 -13.426 -3.078 5.405 439 HG3 PRO 60 3HG PRO 60 -13.222 -2.257 6.974 440 HD2 PRO 60 2HD PRO 60 -11.575 -1.787 4.872 441 HD3 PRO 60 3HD PRO 60 -11.005 -1.712 6.555 442 H LYS 61 H LYS 61 -11.297 -4.326 3.535 443 HA LYS 61 HA LYS 61 -12.727 -6.659 2.624 444 HB2 LYS 61 2HB LYS 61 -12.944 -4.392 1.582 445 HB3 LYS 61 3HB LYS 61 -11.270 -4.488 1.046 446 HG2 LYS 61 2HG LYS 61 -11.829 -6.369 -0.434 447 HG3 LYS 61 3HG LYS 61 -13.504 -6.338 0.134 448 HD2 LYS 61 2HD LYS 61 -13.754 -4.026 -0.773 449 HD3 LYS 61 3HD LYS 61 -12.086 -4.081 -1.349 450 HE2 LYS 61 2HE LYS 61 -12.660 -5.919 -2.876 451 HE3 LYS 61 3HE LYS 61 -14.318 -5.919 -2.265 452 HZ1 LYS 61 3HZ LYS 61 -14.551 -3.624 -3.067 453 HZ2 LYS 61 1HZ LYS 61 -14.206 -4.698 -4.325 454 HZ3 LYS 61 2HZ LYS 61 -12.996 -3.684 -3.728 455 H TYR 62 H TYR 62 -9.418 -5.391 1.907 456 HA TYR 62 HA TYR 62 -8.607 -7.972 0.784 457 HB2 TYR 62 2HB TYR 62 -7.312 -5.239 0.920 458 HB3 TYR 62 3HB TYR 62 -6.323 -6.644 0.531 459 HD1 TYR 62 HD2 TYR 62 -9.557 -5.036 -0.500 460 HD2 TYR 62 HD1 TYR 62 -6.120 -7.267 -1.730 461 HE1 TYR 62 HE2 TYR 62 -10.322 -4.918 -2.823 462 HE2 TYR 62 HE1 TYR 62 -6.889 -7.154 -4.058 463 HH TYR 62 HH TYR 62 -8.918 -6.823 -5.317 464 H PHE 63 H PHE 63 -8.049 -6.142 3.695 465 HA PHE 63 HA PHE 63 -6.305 -8.288 4.778 466 HB2 PHE 63 2HB PHE 63 -6.538 -5.406 5.800 467 HB3 PHE 63 3HB PHE 63 -5.356 -6.616 6.289 468 HD1 PHE 63 HD2 PHE 63 -3.741 -7.505 4.403 469 HD2 PHE 63 HD1 PHE 63 -5.958 -3.855 4.107 470 HE1 PHE 63 HE2 PHE 63 -2.209 -6.703 2.653 471 HE2 PHE 63 HE1 PHE 63 -4.419 -3.068 2.353 472 HZ PHE 63 HZ PHE 63 -2.545 -4.492 1.626 473 H LYS 64 H LYS 64 -6.624 -7.950 7.477 474 HA LYS 64 HA LYS 64 -9.468 -8.634 7.868 475 HB2 LYS 64 2HB LYS 64 -8.475 -10.031 9.824 476 HB3 LYS 64 3HB LYS 64 -8.256 -10.616 8.186 477 HG2 LYS 64 2HG LYS 64 -6.195 -11.001 9.283 478 HG3 LYS 64 3HG LYS 64 -5.922 -9.617 8.230 479 HD2 LYS 64 2HD LYS 64 -4.815 -9.294 10.378 480 HD3 LYS 64 3HD LYS 64 -6.108 -8.108 10.182 481 HE2 LYS 64 2HE LYS 64 -6.032 -9.022 12.476 482 HE3 LYS 64 3HE LYS 64 -7.555 -9.432 11.686 483 HZ1 LYS 64 3HZ LYS 64 -5.210 -11.228 12.068 484 HZ2 LYS 64 1HZ LYS 64 -6.605 -11.654 11.212 485 HZ3 LYS 64 2HZ LYS 64 -6.695 -11.338 12.867 486 H HIS 65 H HIS 65 -8.480 -5.921 8.024 487 HA HIS 65 HA HIS 65 -9.202 -5.133 10.705 488 HB2 HIS 65 2HB HIS 65 -7.085 -4.030 11.312 489 HB3 HIS 65 3HB HIS 65 -6.795 -5.745 11.045 490 HD1 HIS 65 HD1 HIS 65 -5.957 -2.357 9.681 491 HD2 HIS 65 HD2 HIS 65 -5.186 -6.346 8.794 492 HE1 HIS 65 HE1 HIS 65 -4.089 -2.329 8.009 493 HE2 HIS 65 HE2 HIS 65 -3.492 -4.750 7.677 494 H ASN 66 H ASN 66 -9.360 -2.761 10.896 495 HA ASN 66 HA ASN 66 -9.678 -1.417 8.268 496 HB2 ASN 66 2HB ASN 66 -11.607 -0.152 9.242 497 HB3 ASN 66 3HB ASN 66 -11.909 -1.875 9.086 498 HD21 ASN 66 1HD2 ASN 66 -13.648 -1.470 10.592 499 HD22 ASN 66 2HD2 ASN 66 -13.327 -1.398 12.289 500 H ASN 67 H ASN 67 -8.010 -1.357 11.166 501 HA ASN 67 HA ASN 67 -7.919 1.468 11.668 502 HB2 ASN 67 2HB ASN 67 -7.453 -0.380 13.360 503 HB3 ASN 67 3HB ASN 67 -5.896 -0.615 12.581 504 HD21 ASN 67 1HD2 ASN 67 -6.510 0.184 15.314 505 HD22 ASN 67 2HD2 ASN 67 -5.730 1.706 15.575 506 H MET 68 H MET 68 -6.875 2.944 10.498 507 HA MET 68 HA MET 68 -5.263 2.507 8.268 508 HB2 MET 68 2HB MET 68 -6.525 4.604 8.723 509 HB3 MET 68 3HB MET 68 -5.427 4.990 10.033 510 HG2 MET 68 2HG MET 68 -4.605 6.338 8.345 511 HG3 MET 68 3HG MET 68 -3.597 4.914 8.118 512 HE1 MET 68 3HE MET 68 -4.850 3.474 4.745 513 HE2 MET 68 1HE MET 68 -5.129 2.809 6.354 514 HE3 MET 68 2HE MET 68 -3.556 3.494 5.940 515 H ALA 69 H ALA 69 -4.379 3.379 11.599 516 HA ALA 69 HA ALA 69 -1.612 3.682 11.276 517 HB1 ALA 69 3HB ALA 69 -1.463 3.464 13.715 518 HB2 ALA 69 1HB ALA 69 -3.109 2.818 13.774 519 HB3 ALA 69 2HB ALA 69 -2.828 4.480 13.253 520 H SER 70 H SER 70 -3.533 0.755 11.903 521 HA SER 70 HA SER 70 -1.436 -1.068 12.387 522 HB2 SER 70 2HB SER 70 -3.785 -1.617 12.862 523 HB3 SER 70 3HB SER 70 -4.183 -1.556 11.145 524 HG SER 70 HG SER 70 -2.191 -3.303 12.133 525 H PHE 71 H PHE 71 -2.955 0.023 9.374 526 HA PHE 71 HA PHE 71 -1.685 -1.723 7.536 527 HB2 PHE 71 2HB PHE 71 -3.707 -0.499 6.927 528 HB3 PHE 71 3HB PHE 71 -2.928 1.046 7.216 529 HD1 PHE 71 HD1 PHE 71 -2.633 -1.990 5.029 530 HD2 PHE 71 HD2 PHE 71 -2.084 2.238 5.347 531 HE1 PHE 71 HE1 PHE 71 -2.070 -1.874 2.636 532 HE2 PHE 71 HE2 PHE 71 -1.513 2.345 2.952 533 HZ PHE 71 HZ PHE 71 -1.494 0.283 1.599 534 H VAL 72 H VAL 72 -0.999 1.656 8.416 535 HA VAL 72 HA VAL 72 1.312 2.054 6.887 536 HB VAL 72 HB VAL 72 0.508 3.429 9.494 537 HG11 VAL 72 1HG1 VAL 72 1.853 5.351 8.714 538 HG12 VAL 72 2HG1 VAL 72 2.391 4.413 7.320 539 HG13 VAL 72 3HG1 VAL 72 2.851 3.912 8.947 540 HG21 VAL 72 3HG2 VAL 72 -1.293 3.547 7.833 541 HG22 VAL 72 1HG2 VAL 72 -0.175 4.173 6.622 542 HG23 VAL 72 2HG2 VAL 72 -0.567 5.140 8.048 543 H ARG 73 H ARG 73 0.915 0.842 10.211 544 HA ARG 73 HA ARG 73 3.564 0.870 11.115 545 HB2 ARG 73 2HB ARG 73 1.655 0.414 12.612 546 HB3 ARG 73 3HB ARG 73 1.338 -1.107 11.785 547 HG2 ARG 73 2HG ARG 73 3.645 -1.885 12.542 548 HG3 ARG 73 3HG ARG 73 3.733 -0.427 13.531 549 HD2 ARG 73 2HD ARG 73 1.629 -2.601 13.753 550 HD3 ARG 73 3HD ARG 73 3.005 -2.395 14.837 551 HE ARG 73 HE ARG 73 1.937 -0.105 15.297 552 HH11 ARG 73 1HH1 ARG 73 0.065 -3.009 14.598 553 HH12 ARG 73 2HH1 ARG 73 -1.313 -2.489 15.511 554 HH21 ARG 73 1HH2 ARG 73 0.121 0.561 16.513 555 HH22 ARG 73 2HH2 ARG 73 -1.278 -0.461 16.597 556 H GLN 74 H GLN 74 1.757 -1.707 9.438 557 HA GLN 74 HA GLN 74 3.712 -3.723 9.425 558 HB2 GLN 74 2HB GLN 74 1.487 -3.173 7.416 559 HB3 GLN 74 3HB GLN 74 2.433 -4.654 7.455 560 HG2 GLN 74 2HG GLN 74 0.581 -3.671 9.633 561 HG3 GLN 74 3HG GLN 74 0.240 -4.957 8.481 562 HE21 GLN 74 1HE2 GLN 74 1.418 -6.931 8.650 563 HE22 GLN 74 2HE2 GLN 74 2.160 -7.398 10.138 564 H LEU 75 H LEU 75 3.000 -1.124 7.101 565 HA LEU 75 HA LEU 75 4.877 -1.864 5.134 566 HB2 LEU 75 2HB LEU 75 3.520 0.784 5.776 567 HB3 LEU 75 3HB LEU 75 4.515 0.538 4.346 568 HG LEU 75 HG LEU 75 2.041 -1.128 4.961 569 HD11 LEU 75 1HD1 LEU 75 1.378 1.188 4.649 570 HD12 LEU 75 2HD1 LEU 75 0.848 0.185 3.305 571 HD13 LEU 75 3HD1 LEU 75 2.245 1.249 3.112 572 HD21 LEU 75 3HD2 LEU 75 3.708 -0.861 2.436 573 HD22 LEU 75 1HD2 LEU 75 2.190 -1.757 2.570 574 HD23 LEU 75 2HD2 LEU 75 3.604 -2.273 3.493 575 H ASN 76 H ASN 76 5.141 0.441 7.894 576 HA ASN 76 HA ASN 76 7.812 1.250 7.470 577 HB2 ASN 76 2HB ASN 76 6.160 1.044 10.023 578 HB3 ASN 76 3HB ASN 76 7.837 1.556 10.076 579 HD21 ASN 76 1HD2 ASN 76 4.614 2.502 9.292 580 HD22 ASN 76 2HD2 ASN 76 4.971 4.140 8.892 581 H MET 77 H MET 77 6.484 -1.618 9.044 582 HA MET 77 HA MET 77 8.913 -2.722 10.012 583 HB2 MET 77 2HB MET 77 6.278 -4.059 9.251 584 HB3 MET 77 3HB MET 77 7.610 -4.905 10.027 585 HG2 MET 77 2HG MET 77 7.344 -3.723 12.048 586 HG3 MET 77 3HG MET 77 6.390 -2.453 11.286 587 HE1 MET 77 3HE MET 77 5.642 -6.237 10.402 588 HE2 MET 77 1HE MET 77 4.618 -6.707 11.757 589 HE3 MET 77 2HE MET 77 6.328 -6.382 12.023 590 H TYR 78 H TYR 78 7.228 -2.930 6.887 591 HA TYR 78 HA TYR 78 9.135 -4.824 5.758 592 HB2 TYR 78 2HB TYR 78 6.784 -3.328 4.505 593 HB3 TYR 78 3HB TYR 78 7.809 -4.452 3.625 594 HD1 TYR 78 HD1 TYR 78 8.070 -6.851 4.964 595 HD2 TYR 78 HD2 TYR 78 4.710 -4.220 5.159 596 HE1 TYR 78 HE1 TYR 78 6.619 -8.736 5.574 597 HE2 TYR 78 HE2 TYR 78 3.267 -6.106 5.784 598 HH TYR 78 HH TYR 78 4.434 -9.077 6.792 599 H GLY 79 H GLY 79 9.308 -1.565 6.405 600 HA2 GLY 79 2HA GLY 79 11.095 -0.169 5.991 601 HA3 GLY 79 3HA GLY 79 11.672 -1.278 4.763 602 H PHE 80 H PHE 80 8.391 -0.161 4.540 603 HA PHE 80 HA PHE 80 8.912 1.374 2.135 604 HB2 PHE 80 2HB PHE 80 6.344 0.770 3.687 605 HB3 PHE 80 3HB PHE 80 6.380 1.851 2.300 606 HD1 PHE 80 HD1 PHE 80 7.267 -1.671 3.271 607 HD2 PHE 80 HD2 PHE 80 6.015 0.962 0.138 608 HE1 PHE 80 HE1 PHE 80 6.962 -3.598 1.764 609 HE2 PHE 80 HE2 PHE 80 5.717 -0.973 -1.358 610 HZ PHE 80 HZ PHE 80 6.191 -3.249 -0.549 611 H ARG 81 H ARG 81 9.031 3.567 2.031 612 HA ARG 81 HA ARG 81 9.334 4.969 4.597 613 HB2 ARG 81 2HB ARG 81 11.351 4.788 3.210 614 HB3 ARG 81 3HB ARG 81 10.540 5.581 1.867 615 HG2 ARG 81 2HG ARG 81 10.491 7.692 3.028 616 HG3 ARG 81 3HG ARG 81 10.965 6.942 4.553 617 HD2 ARG 81 2HD ARG 81 12.711 7.125 2.071 618 HD3 ARG 81 3HD ARG 81 12.850 8.161 3.500 619 HE ARG 81 HE ARG 81 13.091 5.748 4.608 620 HH11 ARG 81 1HH1 ARG 81 14.705 7.009 1.726 621 HH12 ARG 81 2HH1 ARG 81 16.113 6.022 1.947 622 HH21 ARG 81 1HH2 ARG 81 14.937 4.458 4.871 623 HH22 ARG 81 2HH2 ARG 81 16.245 4.573 3.734 624 H LYS 82 H LYS 82 8.085 6.628 5.103 625 HA LYS 82 HA LYS 82 5.737 7.254 3.627 626 HB2 LYS 82 2HB LYS 82 5.574 7.206 6.011 627 HB3 LYS 82 3HB LYS 82 6.990 8.228 6.217 628 HG2 LYS 82 2HG LYS 82 4.933 9.423 6.786 629 HG3 LYS 82 3HG LYS 82 5.745 10.171 5.410 630 HD2 LYS 82 2HD LYS 82 4.142 9.030 3.880 631 HD3 LYS 82 3HD LYS 82 3.324 8.333 5.282 632 HE2 LYS 82 2HE LYS 82 3.577 11.287 4.664 633 HE3 LYS 82 3HE LYS 82 2.130 10.308 4.447 634 HZ1 LYS 82 3HZ LYS 82 2.027 11.561 6.505 635 HZ2 LYS 82 1HZ LYS 82 3.469 10.860 7.045 636 HZ3 LYS 82 2HZ LYS 82 2.092 9.908 6.836 637 H VAL 83 H VAL 83 5.588 8.676 2.016 638 HA VAL 83 HA VAL 83 7.028 11.253 2.097 639 HB VAL 83 HB VAL 83 6.457 9.561 -0.399 640 HG11 VAL 83 1HG1 VAL 83 7.802 12.281 -0.219 641 HG12 VAL 83 2HG1 VAL 83 6.189 11.959 -0.860 642 HG13 VAL 83 3HG1 VAL 83 7.607 11.312 -1.683 643 HG21 VAL 83 3HG2 VAL 83 8.375 8.674 0.867 644 HG22 VAL 83 1HG2 VAL 83 9.150 10.260 0.837 645 HG23 VAL 83 2HG2 VAL 83 8.900 9.368 -0.666 646 H VAL 84 H VAL 84 5.564 12.917 2.052 647 HA VAL 84 HA VAL 84 2.792 12.378 1.137 648 HB VAL 84 HB VAL 84 2.849 12.868 3.543 649 HG11 VAL 84 1HG1 VAL 84 3.584 15.022 4.462 650 HG12 VAL 84 2HG1 VAL 84 4.153 15.515 2.866 651 HG13 VAL 84 3HG1 VAL 84 4.920 14.158 3.694 652 HG21 VAL 84 3HG2 VAL 84 0.894 13.630 2.259 653 HG22 VAL 84 1HG2 VAL 84 1.667 15.191 1.976 654 HG23 VAL 84 2HG2 VAL 84 1.210 14.713 3.614 655 H HIS 85 H HIS 85 2.006 13.602 -0.487 656 HA HIS 85 HA HIS 85 3.800 15.629 -1.703 657 HB2 HIS 85 2HB HIS 85 1.533 14.027 -2.957 658 HB3 HIS 85 3HB HIS 85 2.524 15.210 -3.807 659 HD1 HIS 85 HD1 HIS 85 4.452 14.208 -5.050 660 HD2 HIS 85 HD2 HIS 85 3.275 11.827 -1.854 661 HE1 HIS 85 HE1 HIS 85 5.926 12.171 -5.127 662 HE2 HIS 85 HE2 HIS 85 5.356 10.903 -3.047 663 H ILE 86 H ILE 86 0.470 15.078 -0.591 664 HA ILE 86 HA ILE 86 -0.380 17.796 -1.026 665 HB ILE 86 HB ILE 86 -1.567 15.574 0.708 666 HG12 ILE 86 2HG1 ILE 86 -1.733 15.276 -1.780 667 HG13 ILE 86 3HG1 ILE 86 -3.308 15.428 -1.015 668 HG21 ILE 86 1HG2 ILE 86 -3.588 16.997 0.990 669 HG22 ILE 86 2HG2 ILE 86 -2.742 18.340 0.214 670 HG23 ILE 86 3HG2 ILE 86 -2.165 17.712 1.756 671 HD11 ILE 86 3HD1 ILE 86 -1.858 17.576 -2.562 672 HD12 ILE 86 1HD1 ILE 86 -3.425 17.773 -1.772 673 HD13 ILE 86 2HD1 ILE 86 -3.244 16.631 -3.103 674 H GLU 87 H GLU 87 1.207 19.053 -0.206 675 HA GLU 87 HA GLU 87 2.308 18.812 2.450 676 HB2 GLU 87 2HB GLU 87 2.640 20.902 0.277 677 HB3 GLU 87 3HB GLU 87 3.591 20.862 1.763 678 HG2 GLU 87 2HG GLU 87 4.500 18.646 1.106 679 HG3 GLU 87 3HG GLU 87 3.558 18.710 -0.382 680 H GLN 88 H GLN 88 1.517 19.739 4.240 681 HA GLN 88 HA GLN 88 -0.257 22.113 4.036 682 HB2 GLN 88 2HB GLN 88 -0.349 19.902 6.129 683 HB3 GLN 88 3HB GLN 88 -1.339 21.354 6.148 684 HG2 GLN 88 2HG GLN 88 -1.435 19.149 4.073 685 HG3 GLN 88 3HG GLN 88 -2.625 19.442 5.343 686 HE21 GLN 88 1HE2 GLN 88 -3.052 19.343 2.491 687 HE22 GLN 88 2HE2 GLN 88 -3.708 20.870 2.039 688 H GLY 89 H GLY 89 1.884 23.211 4.026 689 HA2 GLY 89 2HA GLY 89 3.126 23.621 6.656 690 HA3 GLY 89 3HA GLY 89 3.534 24.441 5.149 691 H GLY 90 H GLY 90 1.895 25.919 4.282 692 HA2 GLY 90 2HA GLY 90 0.010 27.106 6.235 693 HA3 GLY 90 3HA GLY 90 1.095 28.118 5.282 694 H LEU 91 H LEU 91 -0.067 25.258 3.783 695 HA LEU 91 HA LEU 91 -1.519 26.808 1.769 696 HB2 LEU 91 2HB LEU 91 -0.726 23.858 1.785 697 HB3 LEU 91 3HB LEU 91 -1.367 24.741 0.408 698 HG LEU 91 HG LEU 91 1.351 25.143 1.712 699 HD11 LEU 91 1HD1 LEU 91 0.625 24.072 -1.026 700 HD12 LEU 91 2HD1 LEU 91 1.237 23.140 0.343 701 HD13 LEU 91 3HD1 LEU 91 2.261 24.353 -0.419 702 HD21 LEU 91 3HD2 LEU 91 1.839 26.767 -0.069 703 HD22 LEU 91 1HD2 LEU 91 0.534 27.313 0.981 704 HD23 LEU 91 2HD2 LEU 91 0.164 26.673 -0.623 705 H VAL 92 H VAL 92 -3.546 25.709 0.829 706 HA VAL 92 HA VAL 92 -5.236 24.674 3.017 707 HB VAL 92 HB VAL 92 -6.127 26.703 2.059 708 HG11 VAL 92 1HG1 VAL 92 -5.146 26.691 -0.172 709 HG12 VAL 92 2HG1 VAL 92 -6.885 26.973 -0.242 710 HG13 VAL 92 3HG1 VAL 92 -6.232 25.390 -0.667 711 HG21 VAL 92 3HG2 VAL 92 -7.830 24.323 1.249 712 HG22 VAL 92 1HG2 VAL 92 -8.413 25.973 1.494 713 HG23 VAL 92 2HG2 VAL 92 -7.747 25.062 2.848 714 H LYS 93 H LYS 93 -4.998 24.106 -0.558 715 HA LYS 93 HA LYS 93 -5.241 22.281 -1.862 716 HB2 LYS 93 2HB LYS 93 -3.977 20.973 0.567 717 HB3 LYS 93 3HB LYS 93 -4.209 20.120 -0.956 718 HG2 LYS 93 2HG LYS 93 -2.781 21.822 -2.086 719 HG3 LYS 93 3HG LYS 93 -2.491 22.582 -0.514 720 HD2 LYS 93 2HD LYS 93 -1.344 20.628 0.311 721 HD3 LYS 93 3HD LYS 93 -1.825 19.668 -1.093 722 HE2 LYS 93 2HE LYS 93 0.038 22.064 -1.160 723 HE3 LYS 93 3HE LYS 93 0.539 20.376 -1.219 724 HZ1 LYS 93 3HZ LYS 93 0.508 21.245 -3.426 725 HZ2 LYS 93 1HZ LYS 93 -1.076 21.819 -3.253 726 HZ3 LYS 93 2HZ LYS 93 -0.780 20.159 -3.287 727 HA PRO 94 HA PRO 94 -9.085 19.936 -1.041 728 HB2 PRO 94 2HB PRO 94 -8.536 17.402 -2.064 729 HB3 PRO 94 3HB PRO 94 -8.935 18.798 -3.088 730 HG2 PRO 94 2HG PRO 94 -6.230 17.728 -2.356 731 HG3 PRO 94 3HG PRO 94 -6.856 18.174 -3.963 732 HD2 PRO 94 2HD PRO 94 -5.286 19.881 -2.647 733 HD3 PRO 94 3HD PRO 94 -6.722 20.498 -3.505 734 H GLU 95 H GLU 95 -9.905 18.540 0.528 735 HA GLU 95 HA GLU 95 -8.210 18.337 2.827 736 HB2 GLU 95 2HB GLU 95 -10.301 17.659 4.042 737 HB3 GLU 95 3HB GLU 95 -10.415 19.182 3.179 738 HG2 GLU 95 2HG GLU 95 -12.491 18.100 2.861 739 HG3 GLU 95 3HG GLU 95 -11.625 17.957 1.338 740 H ARG 96 H ARG 96 -9.005 16.138 0.382 741 HA ARG 96 HA ARG 96 -9.010 13.665 1.698 742 HB2 ARG 96 2HB ARG 96 -8.622 12.662 -0.457 743 HB3 ARG 96 3HB ARG 96 -9.641 14.065 -0.723 744 HG2 ARG 96 2HG ARG 96 -7.565 15.335 -1.439 745 HG3 ARG 96 3HG ARG 96 -6.682 13.814 -1.340 746 HD2 ARG 96 2HD ARG 96 -8.995 14.452 -3.200 747 HD3 ARG 96 3HD ARG 96 -7.303 14.240 -3.645 748 HE ARG 96 HE ARG 96 -8.570 11.950 -2.380 749 HH11 ARG 96 1HH1 ARG 96 -7.786 13.470 -5.467 750 HH12 ARG 96 2HH1 ARG 96 -7.934 11.990 -6.361 751 HH21 ARG 96 1HH2 ARG 96 -8.739 10.036 -3.556 752 HH22 ARG 96 2HH2 ARG 96 -8.475 10.036 -5.278 753 H ASP 97 H ASP 97 -7.397 12.227 2.180 754 HA ASP 97 HA ASP 97 -4.813 13.343 2.877 755 HB2 ASP 97 2HB ASP 97 -6.036 10.586 3.306 756 HB3 ASP 97 3HB ASP 97 -4.420 11.026 3.852 757 H ASP 98 H ASP 98 -2.857 12.711 2.043 758 HA ASP 98 HA ASP 98 -2.753 10.658 -0.082 759 HB2 ASP 98 2HB ASP 98 -2.654 12.756 -1.300 760 HB3 ASP 98 3HB ASP 98 -1.457 13.420 -0.189 761 H THR 99 H THR 99 -1.473 9.111 0.635 762 HA THR 99 HA THR 99 1.048 9.765 2.023 763 HB THR 99 HB THR 99 -0.969 7.579 2.758 764 HG1 THR 99 HG1 THR 99 -1.597 9.644 3.472 765 HG21 THR 99 3HG2 THR 99 1.368 6.851 3.166 766 HG22 THR 99 1HG2 THR 99 0.480 7.113 4.672 767 HG23 THR 99 2HG2 THR 99 1.640 8.311 4.113 768 H GLU 100 H GLU 100 2.578 9.146 0.627 769 HA GLU 100 HA GLU 100 2.186 6.847 -1.184 770 HB2 GLU 100 2HB GLU 100 2.825 8.960 -2.315 771 HB3 GLU 100 3HB GLU 100 4.265 9.096 -1.302 772 HG2 GLU 100 2HG GLU 100 4.997 6.830 -2.287 773 HG3 GLU 100 3HG GLU 100 3.676 7.009 -3.436 774 H PHE 101 H PHE 101 3.050 5.007 -0.467 775 HA PHE 101 HA PHE 101 5.434 5.015 1.264 776 HB2 PHE 101 2HB PHE 101 3.574 2.732 0.470 777 HB3 PHE 101 3HB PHE 101 4.914 2.614 1.605 778 HD1 PHE 101 HD1 PHE 101 4.806 3.885 3.786 779 HD2 PHE 101 HD2 PHE 101 1.424 3.531 1.181 780 HE1 PHE 101 HE1 PHE 101 3.305 4.506 5.634 781 HE2 PHE 101 HE2 PHE 101 -0.066 4.139 3.042 782 HZ PHE 101 HZ PHE 101 0.877 4.622 5.262 783 H GLN 102 H GLN 102 7.340 4.745 0.338 784 HA GLN 102 HA GLN 102 7.541 3.603 -2.391 785 HB2 GLN 102 2HB GLN 102 9.589 4.956 -2.657 786 HB3 GLN 102 3HB GLN 102 8.204 5.975 -2.282 787 HG2 GLN 102 2HG GLN 102 8.955 6.242 0.022 788 HG3 GLN 102 3HG GLN 102 10.259 5.081 -0.242 789 HE21 GLN 102 1HE2 GLN 102 11.867 6.521 0.323 790 HE22 GLN 102 2HE2 GLN 102 12.293 7.896 -0.633 791 H HIS 103 H HIS 103 9.071 2.034 -2.799 792 HA HIS 103 HA HIS 103 11.028 1.231 -0.814 793 HB2 HIS 103 2HB HIS 103 8.820 0.010 -0.283 794 HB3 HIS 103 3HB HIS 103 9.030 -0.857 -1.797 795 HD1 HIS 103 HD1 HIS 103 11.069 -2.554 -1.888 796 HD2 HIS 103 HD2 HIS 103 10.349 -0.847 1.816 797 HE1 HIS 103 HE1 HIS 103 12.417 -3.899 -0.235 798 HE2 HIS 103 HE2 HIS 103 12.098 -2.719 1.952 799 HA PRO 104 HA PRO 104 13.128 0.845 -4.800 800 HB2 PRO 104 2HB PRO 104 15.461 -0.386 -3.923 801 HB3 PRO 104 3HB PRO 104 15.121 1.344 -3.720 802 HG2 PRO 104 2HG PRO 104 14.759 -0.877 -1.734 803 HG3 PRO 104 3HG PRO 104 15.477 0.734 -1.496 804 HD2 PRO 104 2HD PRO 104 12.951 0.223 -0.727 805 HD3 PRO 104 3HD PRO 104 13.389 1.802 -1.425 806 H CYS 105 H CYS 105 12.802 -1.976 -2.675 807 HA CYS 105 HA CYS 105 13.148 -3.868 -4.909 808 HB2 CYS 105 2HB CYS 105 12.731 -4.486 -1.961 809 HB3 CYS 105 3HB CYS 105 13.259 -5.609 -3.209 810 HG CYS 105 HG CYS 105 15.776 -5.172 -2.957 811 H PHE 106 H PHE 106 10.786 -2.048 -4.544 812 HA PHE 106 HA PHE 106 8.664 -4.088 -4.915 813 HB2 PHE 106 2HB PHE 106 8.194 -2.758 -2.871 814 HB3 PHE 106 3HB PHE 106 8.431 -1.258 -3.753 815 HD1 PHE 106 HD1 PHE 106 6.152 -4.172 -3.321 816 HD2 PHE 106 HD2 PHE 106 6.614 -0.275 -5.036 817 HE1 PHE 106 HE1 PHE 106 3.733 -4.083 -3.786 818 HE2 PHE 106 HE2 PHE 106 4.199 -0.197 -5.498 819 HZ PHE 106 HZ PHE 106 2.756 -2.096 -4.874 820 H LEU 107 H LEU 107 8.598 -4.200 -7.134 821 HA LEU 107 HA LEU 107 7.918 -1.705 -8.579 822 HB2 LEU 107 2HB LEU 107 9.595 -3.991 -9.643 823 HB3 LEU 107 3HB LEU 107 8.969 -2.710 -10.642 824 HG LEU 107 HG LEU 107 10.966 -2.292 -8.385 825 HD11 LEU 107 1HD1 LEU 107 11.523 -2.433 -11.371 826 HD12 LEU 107 2HD1 LEU 107 11.954 -3.667 -10.186 827 HD13 LEU 107 3HD1 LEU 107 12.693 -2.070 -10.097 828 HD21 LEU 107 3HD2 LEU 107 11.290 -0.070 -9.382 829 HD22 LEU 107 1HD2 LEU 107 9.625 -0.306 -8.852 830 HD23 LEU 107 2HD2 LEU 107 10.027 -0.407 -10.570 831 H ARG 108 H ARG 108 6.813 -2.402 -10.760 832 HA ARG 108 HA ARG 108 4.375 -3.646 -10.108 833 HB2 ARG 108 2HB ARG 108 4.511 -1.899 -11.814 834 HB3 ARG 108 3HB ARG 108 5.551 -2.905 -12.818 835 HG2 ARG 108 2HG ARG 108 3.690 -4.492 -13.164 836 HG3 ARG 108 3HG ARG 108 2.644 -3.499 -12.151 837 HD2 ARG 108 2HD ARG 108 2.772 -1.669 -13.753 838 HD3 ARG 108 3HD ARG 108 3.935 -2.568 -14.733 839 HE ARG 108 HE ARG 108 1.328 -3.821 -14.302 840 HH11 ARG 108 1HH1 ARG 108 3.367 -1.952 -16.476 841 HH12 ARG 108 2HH1 ARG 108 2.418 -2.318 -17.884 842 HH21 ARG 108 1HH2 ARG 108 0.083 -4.304 -16.184 843 HH22 ARG 108 2HH2 ARG 108 0.563 -3.647 -17.715 844 H GLY 109 H GLY 109 6.485 -4.759 -12.792 845 HA2 GLY 109 2HA GLY 109 5.412 -7.447 -12.668 846 HA3 GLY 109 3HA GLY 109 6.598 -6.832 -13.806 847 H GLN 110 H GLN 110 7.967 -5.869 -11.114 848 HA GLN 110 HA GLN 110 9.695 -8.238 -10.883 849 HB2 GLN 110 2HB GLN 110 10.453 -5.723 -11.190 850 HB3 GLN 110 3HB GLN 110 10.124 -5.597 -9.473 851 HG2 GLN 110 2HG GLN 110 12.435 -5.957 -9.605 852 HG3 GLN 110 3HG GLN 110 11.768 -7.521 -9.144 853 HE21 GLN 110 1HE2 GLN 110 11.666 -6.248 -12.441 854 HE22 GLN 110 2HE2 GLN 110 12.788 -7.376 -13.095 855 H GLU 111 H GLU 111 7.121 -8.565 -9.843 856 HA GLU 111 HA GLU 111 6.857 -8.033 -7.059 857 HB2 GLU 111 2HB GLU 111 4.912 -9.575 -7.175 858 HB3 GLU 111 3HB GLU 111 4.885 -8.349 -8.439 859 HG2 GLU 111 2HG GLU 111 5.618 -9.954 -10.107 860 HG3 GLU 111 3HG GLU 111 5.872 -11.182 -8.864 861 H GLN 112 H GLN 112 8.574 -10.502 -8.747 862 HA GLN 112 HA GLN 112 8.821 -12.448 -6.732 863 HB2 GLN 112 2HB GLN 112 10.896 -13.170 -7.808 864 HB3 GLN 112 3HB GLN 112 9.664 -12.854 -9.013 865 HG2 GLN 112 2HG GLN 112 11.607 -10.646 -8.408 866 HG3 GLN 112 3HG GLN 112 12.205 -12.041 -9.297 867 HE21 GLN 112 1HE2 GLN 112 12.599 -10.747 -11.109 868 HE22 GLN 112 2HE2 GLN 112 11.336 -10.147 -12.113 869 H LEU 113 H LEU 113 9.877 -9.214 -6.632 870 HA LEU 113 HA LEU 113 11.975 -9.683 -4.643 871 HB2 LEU 113 2HB LEU 113 10.905 -7.126 -5.889 872 HB3 LEU 113 3HB LEU 113 12.091 -7.128 -4.595 873 HG LEU 113 HG LEU 113 12.473 -8.200 -7.414 874 HD11 LEU 113 1HD1 LEU 113 12.582 -5.755 -7.223 875 HD12 LEU 113 2HD1 LEU 113 14.153 -6.437 -7.628 876 HD13 LEU 113 3HD1 LEU 113 13.830 -5.889 -5.977 877 HD21 LEU 113 3HD2 LEU 113 13.627 -9.697 -5.871 878 HD22 LEU 113 1HD2 LEU 113 14.425 -8.329 -5.092 879 HD23 LEU 113 2HD2 LEU 113 14.796 -8.736 -6.771 880 H LEU 114 H LEU 114 8.592 -9.508 -4.531 881 HA LEU 114 HA LEU 114 8.193 -8.045 -2.114 882 HB2 LEU 114 2HB LEU 114 6.552 -10.263 -3.404 883 HB3 LEU 114 3HB LEU 114 6.027 -9.400 -1.969 884 HG LEU 114 HG LEU 114 6.491 -8.129 -4.698 885 HD11 LEU 114 1HD1 LEU 114 3.873 -8.759 -3.282 886 HD12 LEU 114 2HD1 LEU 114 4.519 -9.589 -4.700 887 HD13 LEU 114 3HD1 LEU 114 4.047 -7.897 -4.816 888 HD21 LEU 114 3HD2 LEU 114 6.964 -6.554 -2.894 889 HD22 LEU 114 1HD2 LEU 114 5.406 -6.904 -2.140 890 HD23 LEU 114 2HD2 LEU 114 5.472 -6.114 -3.719 891 H GLU 115 H GLU 115 8.978 -11.415 -2.755 892 HA GLU 115 HA GLU 115 9.044 -12.278 -0.002 893 HB2 GLU 115 2HB GLU 115 10.296 -14.270 -0.934 894 HB3 GLU 115 3HB GLU 115 8.721 -13.989 -1.673 895 HG2 GLU 115 2HG GLU 115 9.772 -13.007 -3.649 896 HG3 GLU 115 3HG GLU 115 11.355 -13.087 -2.880 897 H ASN 116 H ASN 116 11.183 -10.433 -1.949 898 HA ASN 116 HA ASN 116 13.574 -10.970 -0.322 899 HB2 ASN 116 2HB ASN 116 13.125 -9.239 -2.802 900 HB3 ASN 116 3HB ASN 116 14.644 -9.279 -1.918 901 HD21 ASN 116 1HD2 ASN 116 12.431 -11.211 -3.849 902 HD22 ASN 116 2HD2 ASN 116 13.596 -12.377 -4.345 903 H ILE 117 H ILE 117 10.850 -8.958 -0.318 904 HA ILE 117 HA ILE 117 12.032 -6.787 1.242 905 HB ILE 117 HB ILE 117 9.072 -7.436 0.738 906 HG12 ILE 117 2HG1 ILE 117 10.847 -5.359 -0.614 907 HG13 ILE 117 3HG1 ILE 117 10.201 -6.809 -1.357 908 HG21 ILE 117 1HG2 ILE 117 8.596 -5.171 1.600 909 HG22 ILE 117 2HG2 ILE 117 10.308 -4.931 1.948 910 HG23 ILE 117 3HG2 ILE 117 9.393 -6.162 2.825 911 HD11 ILE 117 3HD1 ILE 117 8.961 -4.867 -2.062 912 HD12 ILE 117 1HD1 ILE 117 8.584 -4.454 -0.388 913 HD13 ILE 117 2HD1 ILE 117 7.929 -5.929 -1.107 914 H LYS 118 H LYS 118 12.356 -7.026 3.405 915 HA LYS 118 HA LYS 118 11.042 -9.253 4.854 916 HB2 LYS 118 2HB LYS 118 13.748 -7.956 5.382 917 HB3 LYS 118 3HB LYS 118 13.035 -9.209 6.381 918 HG2 LYS 118 2HG LYS 118 13.710 -9.651 3.459 919 HG3 LYS 118 3HG LYS 118 14.883 -9.886 4.753 920 HD2 LYS 118 2HD LYS 118 14.053 -12.048 4.370 921 HD3 LYS 118 3HD LYS 118 13.155 -11.516 5.789 922 HE2 LYS 118 2HE LYS 118 11.211 -10.999 4.357 923 HE3 LYS 118 3HE LYS 118 12.124 -11.504 2.932 924 HZ1 LYS 118 3HZ LYS 118 12.251 -13.730 3.819 925 HZ2 LYS 118 1HZ LYS 118 10.637 -13.239 3.757 926 HZ3 LYS 118 2HZ LYS 118 11.453 -13.265 5.234 927 H ARG 119 H ARG 119 10.291 -8.869 6.911 928 HA ARG 119 HA ARG 119 10.072 -6.070 7.846 929 HB2 ARG 119 2HB ARG 119 8.198 -6.878 9.280 930 HB3 ARG 119 3HB ARG 119 7.875 -7.071 7.565 931 HG2 ARG 119 2HG ARG 119 8.172 -9.435 7.654 932 HG3 ARG 119 3HG ARG 119 8.906 -9.365 9.259 933 HD2 ARG 119 2HD ARG 119 6.780 -8.756 10.264 934 HD3 ARG 119 3HD ARG 119 6.024 -8.602 8.676 935 HE ARG 119 HE ARG 119 5.744 -10.856 8.595 936 HH11 ARG 119 1HH1 ARG 119 8.048 -10.228 11.194 937 HH12 ARG 119 2HH1 ARG 119 8.040 -11.873 11.745 938 HH21 ARG 119 1HH2 ARG 119 5.755 -12.978 9.318 939 HH22 ARG 119 2HH2 ARG 119 6.736 -13.428 10.677 940 H LYS 120 H LYS 120 9.875 -6.081 10.391 941 HA LYS 120 HA LYS 120 12.173 -7.314 11.590 942 HB2 LYS 120 2HB LYS 120 11.349 -6.340 13.705 943 HB3 LYS 120 3HB LYS 120 11.376 -5.150 12.407 944 HG2 LYS 120 2HG LYS 120 8.944 -5.378 12.110 945 HG3 LYS 120 3HG LYS 120 8.888 -6.609 13.373 946 HD2 LYS 120 2HD LYS 120 9.728 -3.709 13.778 947 HD3 LYS 120 3HD LYS 120 8.160 -4.390 14.208 948 HE2 LYS 120 2HE LYS 120 9.253 -5.900 15.831 949 HE3 LYS 120 3HE LYS 120 10.829 -5.231 15.391 950 HZ1 LYS 120 3HZ LYS 120 10.108 -3.068 16.193 951 HZ2 LYS 120 1HZ LYS 120 9.961 -4.228 17.416 952 HZ3 LYS 120 2HZ LYS 120 8.585 -3.689 16.596 953 H VAL 121 H VAL 121 11.896 -8.608 13.664 954 HA VAL 121 HA VAL 121 11.573 -10.649 14.546 955 HB VAL 121 HB VAL 121 8.685 -10.565 13.527 956 HG11 VAL 121 1HG1 VAL 121 8.198 -12.093 15.417 957 HG12 VAL 121 2HG1 VAL 121 9.910 -12.124 15.839 958 HG13 VAL 121 3HG1 VAL 121 9.369 -12.797 14.299 959 HG21 VAL 121 3HG2 VAL 121 8.051 -9.578 15.696 960 HG22 VAL 121 1HG2 VAL 121 9.164 -8.522 14.823 961 HG23 VAL 121 2HG2 VAL 121 9.748 -9.499 16.171 962 H THR 122 H THR 122 13.075 -10.991 12.679 963 HA THR 122 HA THR 122 12.389 -13.468 11.351 964 HB THR 122 HB THR 122 11.665 -11.666 9.699 965 HG1 THR 122 HG1 THR 122 13.830 -13.264 8.758 966 HG21 THR 122 3HG2 THR 122 13.463 -10.004 10.098 967 HG22 THR 122 1HG2 THR 122 13.382 -10.479 8.398 968 HG23 THR 122 2HG2 THR 122 14.650 -11.132 9.437 969 H SER 123 H SER 123 14.260 -14.669 10.777 970 HA SER 123 HA SER 123 16.920 -13.623 10.884 971 HB2 SER 123 2HB SER 123 17.665 -14.905 12.926 972 HB3 SER 123 3HB SER 123 16.530 -13.610 13.314 973 HG SER 123 HG SER 123 16.228 -16.366 13.472 974 H VAL 124 H VAL 124 18.352 -15.055 9.940 975 HA VAL 124 HA VAL 124 17.433 -17.560 8.873 976 HB VAL 124 HB VAL 124 18.998 -16.295 7.546 977 HG11 VAL 124 1HG1 VAL 124 21.035 -16.465 9.785 978 HG12 VAL 124 2HG1 VAL 124 20.156 -15.023 9.281 979 HG13 VAL 124 3HG1 VAL 124 21.311 -15.776 8.180 980 HG21 VAL 124 3HG2 VAL 124 19.154 -18.738 7.355 981 HG22 VAL 124 1HG2 VAL 124 20.419 -18.766 8.584 982 HG23 VAL 124 2HG2 VAL 124 20.712 -17.973 7.032 983 H SER 125 H SER 125 16.874 -18.933 10.463 984 HA SER 125 HA SER 125 16.858 -20.312 12.225 985 HB2 SER 125 2HB SER 125 19.892 -20.289 11.958 986 HB3 SER 125 3HB SER 125 18.949 -21.459 12.885 987 HG SER 125 HG SER 125 18.509 -21.013 10.125 Start of MODEL 20 1 H1 MET 1 1H MET 1 -19.642 -42.788 -15.793 2 H2 MET 1 2H MET 1 -20.396 -44.125 -16.497 3 H3 MET 1 3H MET 1 -19.687 -44.262 -14.974 4 HA MET 1 HA MET 1 -22.013 -42.582 -15.654 5 HB2 MET 1 2HB MET 1 -21.858 -45.167 -14.033 6 HB3 MET 1 3HB MET 1 -23.297 -44.161 -14.171 7 HG2 MET 1 2HG MET 1 -23.534 -46.038 -15.645 8 HG3 MET 1 3HG MET 1 -23.303 -44.598 -16.633 9 HE1 MET 1 3HE MET 1 -20.092 -47.861 -15.975 10 HE2 MET 1 1HE MET 1 -21.733 -47.945 -15.332 11 HE3 MET 1 2HE MET 1 -20.585 -46.775 -14.677 12 H GLY 2 H GLY 2 -20.627 -44.138 -12.708 13 HA2 GLY 2 2HA GLY 2 -20.857 -41.555 -11.256 14 HA3 GLY 2 3HA GLY 2 -21.592 -43.029 -10.642 15 H HIS 3 H HIS 3 -18.423 -42.384 -12.136 16 HA HIS 3 HA HIS 3 -17.072 -42.900 -9.542 17 HB2 HIS 3 2HB HIS 3 -16.419 -44.147 -12.242 18 HB3 HIS 3 3HB HIS 3 -15.158 -43.939 -11.030 19 HD1 HIS 3 HD1 HIS 3 -15.295 -45.418 -8.908 20 HD2 HIS 3 HD2 HIS 3 -18.275 -46.204 -11.690 21 HE1 HIS 3 HE1 HIS 3 -16.301 -47.606 -8.230 22 HE2 HIS 3 HE2 HIS 3 -17.983 -48.137 -10.005 23 H HIS 4 H HIS 4 -17.815 -40.457 -10.403 24 HA HIS 4 HA HIS 4 -16.014 -39.026 -12.019 25 HB2 HIS 4 2HB HIS 4 -17.739 -37.918 -9.762 26 HB3 HIS 4 3HB HIS 4 -17.040 -36.991 -11.087 27 HD1 HIS 4 HD1 HIS 4 -20.194 -37.859 -10.186 28 HD2 HIS 4 HD2 HIS 4 -18.051 -38.651 -13.658 29 HE1 HIS 4 HE1 HIS 4 -21.913 -38.317 -11.947 30 HE2 HIS 4 HE2 HIS 4 -20.587 -39.024 -13.958 31 H HIS 5 H HIS 5 -14.075 -38.121 -11.614 32 HA HIS 5 HA HIS 5 -12.888 -38.433 -8.912 33 HB2 HIS 5 2HB HIS 5 -11.556 -38.368 -11.660 34 HB3 HIS 5 3HB HIS 5 -10.688 -38.469 -10.128 35 HD1 HIS 5 HD1 HIS 5 -11.694 -40.603 -12.746 36 HD2 HIS 5 HD2 HIS 5 -11.803 -40.936 -8.602 37 HE1 HIS 5 HE1 HIS 5 -11.891 -43.061 -12.266 38 HE2 HIS 5 HE2 HIS 5 -12.049 -43.216 -9.772 39 H HIS 6 H HIS 6 -14.549 -36.246 -9.356 40 HA HIS 6 HA HIS 6 -12.888 -33.875 -9.573 41 HB2 HIS 6 2HB HIS 6 -15.717 -34.256 -8.490 42 HB3 HIS 6 3HB HIS 6 -14.915 -32.692 -8.625 43 HD1 HIS 6 HD1 HIS 6 -17.504 -34.118 -10.236 44 HD2 HIS 6 HD2 HIS 6 -13.810 -32.870 -11.689 45 HE1 HIS 6 HE1 HIS 6 -17.840 -33.718 -12.694 46 HE2 HIS 6 HE2 HIS 6 -15.586 -33.018 -13.552 47 H HIS 7 H HIS 7 -11.217 -34.429 -8.191 48 HA HIS 7 HA HIS 7 -11.719 -34.430 -5.285 49 HB2 HIS 7 2HB HIS 7 -11.631 -36.810 -6.196 50 HB3 HIS 7 3HB HIS 7 -9.983 -36.494 -6.724 51 HD1 HIS 7 HD1 HIS 7 -8.341 -37.463 -5.152 52 HD2 HIS 7 HD2 HIS 7 -11.792 -36.239 -3.174 53 HE1 HIS 7 HE1 HIS 7 -8.034 -38.161 -2.759 54 HE2 HIS 7 HE2 HIS 7 -10.213 -37.610 -1.657 55 H HIS 8 H HIS 8 -10.896 -32.360 -5.326 56 HA HIS 8 HA HIS 8 -9.531 -30.640 -5.216 57 HB2 HIS 8 2HB HIS 8 -7.411 -30.821 -4.098 58 HB3 HIS 8 3HB HIS 8 -8.537 -31.969 -3.389 59 HD1 HIS 8 HD1 HIS 8 -5.393 -31.786 -5.450 60 HD2 HIS 8 HD2 HIS 8 -7.685 -34.644 -3.482 61 HE1 HIS 8 HE1 HIS 8 -3.975 -33.860 -5.367 62 HE2 HIS 8 HE2 HIS 8 -5.477 -35.620 -4.394 63 H SER 9 H SER 9 -8.967 -29.338 -6.794 64 HA SER 9 HA SER 9 -6.853 -30.022 -8.704 65 HB2 SER 9 2HB SER 9 -8.308 -29.200 -10.627 66 HB3 SER 9 3HB SER 9 -8.801 -30.747 -9.938 67 HG SER 9 HG SER 9 -10.567 -29.862 -9.120 68 H HIS 10 H HIS 10 -6.009 -28.150 -9.830 69 HA HIS 10 HA HIS 10 -5.206 -26.046 -10.018 70 HB2 HIS 10 2HB HIS 10 -8.022 -25.266 -9.125 71 HB3 HIS 10 3HB HIS 10 -6.833 -24.138 -9.777 72 HD1 HIS 10 HD1 HIS 10 -9.530 -26.334 -10.811 73 HD2 HIS 10 HD2 HIS 10 -6.067 -24.831 -12.558 74 HE1 HIS 10 HE1 HIS 10 -9.822 -26.664 -13.285 75 HE2 HIS 10 HE2 HIS 10 -7.649 -25.909 -14.288 76 H MET 11 H MET 11 -4.842 -27.469 -7.530 77 HA MET 11 HA MET 11 -4.887 -25.838 -5.237 78 HB2 MET 11 2HB MET 11 -2.864 -28.010 -5.978 79 HB3 MET 11 3HB MET 11 -3.130 -27.367 -4.366 80 HG2 MET 11 2HG MET 11 -5.361 -28.341 -4.304 81 HG3 MET 11 3HG MET 11 -5.189 -28.894 -5.970 82 HE1 MET 11 3HE MET 11 -2.296 -28.943 -3.294 83 HE2 MET 11 1HE MET 11 -2.508 -30.537 -2.572 84 HE3 MET 11 2HE MET 11 -3.706 -29.278 -2.286 85 H ALA 12 H ALA 12 -4.014 -23.839 -5.207 86 HA ALA 12 HA ALA 12 -1.904 -22.985 -6.957 87 HB1 ALA 12 3HB ALA 12 -2.164 -20.799 -5.862 88 HB2 ALA 12 1HB ALA 12 -3.185 -21.526 -4.616 89 HB3 ALA 12 2HB ALA 12 -3.735 -21.473 -6.290 90 H GLY 13 H GLY 13 0.115 -22.073 -6.270 91 HA2 GLY 13 2HA GLY 13 1.315 -23.331 -3.877 92 HA3 GLY 13 3HA GLY 13 2.173 -22.759 -5.295 93 HA PRO 14 HA PRO 14 1.167 -18.904 -2.499 94 HB2 PRO 14 2HB PRO 14 1.103 -19.458 0.199 95 HB3 PRO 14 3HB PRO 14 -0.358 -19.412 -0.803 96 HG2 PRO 14 2HG PRO 14 1.201 -21.789 0.146 97 HG3 PRO 14 3HG PRO 14 -0.561 -21.561 0.048 98 HD2 PRO 14 2HD PRO 14 0.849 -22.966 -1.830 99 HD3 PRO 14 3HD PRO 14 -0.639 -22.069 -2.212 100 H SER 15 H SER 15 3.148 -18.063 -2.774 101 HA SER 15 HA SER 15 5.575 -19.494 -2.151 102 HB2 SER 15 2HB SER 15 5.312 -18.074 -4.217 103 HB3 SER 15 3HB SER 15 5.210 -16.641 -3.196 104 HG SER 15 HG SER 15 7.302 -16.684 -3.645 105 H ASN 16 H ASN 16 7.402 -17.829 -1.204 106 HA ASN 16 HA ASN 16 6.867 -17.556 1.568 107 HB2 ASN 16 2HB ASN 16 9.172 -16.344 -0.025 108 HB3 ASN 16 3HB ASN 16 9.136 -16.590 1.717 109 HD21 ASN 16 1HD2 ASN 16 9.504 -18.101 -1.390 110 HD22 ASN 16 2HD2 ASN 16 10.069 -19.632 -0.812 111 H VAL 17 H VAL 17 6.049 -15.479 -1.007 112 HA VAL 17 HA VAL 17 6.255 -12.899 0.019 113 HB VAL 17 HB VAL 17 4.053 -14.005 -1.799 114 HG11 VAL 17 1HG1 VAL 17 3.700 -11.657 -2.537 115 HG12 VAL 17 2HG1 VAL 17 4.870 -11.105 -1.339 116 HG13 VAL 17 3HG1 VAL 17 3.365 -11.858 -0.815 117 HG21 VAL 17 3HG2 VAL 17 6.699 -12.671 -2.529 118 HG22 VAL 17 1HG2 VAL 17 5.432 -13.119 -3.679 119 HG23 VAL 17 2HG2 VAL 17 6.281 -14.368 -2.769 120 HA PRO 18 HA PRO 18 3.577 -13.329 3.753 121 HB2 PRO 18 2HB PRO 18 3.796 -10.300 3.497 122 HB3 PRO 18 3HB PRO 18 3.977 -11.325 4.943 123 HG2 PRO 18 2HG PRO 18 6.146 -10.381 3.793 124 HG3 PRO 18 3HG PRO 18 6.111 -12.089 4.305 125 HD2 PRO 18 2HD PRO 18 5.794 -10.950 1.525 126 HD3 PRO 18 3HD PRO 18 6.702 -12.383 2.063 127 H ALA 19 H ALA 19 1.350 -13.156 4.151 128 HA ALA 19 HA ALA 19 -0.539 -12.844 2.181 129 HB1 ALA 19 3HB ALA 19 -0.946 -12.320 5.148 130 HB2 ALA 19 1HB ALA 19 -0.965 -13.901 4.372 131 HB3 ALA 19 2HB ALA 19 -2.211 -12.716 3.979 132 H PHE 20 H PHE 20 0.527 -10.388 4.551 133 HA PHE 20 HA PHE 20 -0.975 -8.222 3.848 134 HB2 PHE 20 2HB PHE 20 0.604 -8.169 5.738 135 HB3 PHE 20 3HB PHE 20 1.982 -8.213 4.640 136 HD1 PHE 20 HD2 PHE 20 -0.963 -6.143 5.667 137 HD2 PHE 20 HD1 PHE 20 2.840 -6.156 3.709 138 HE1 PHE 20 HE2 PHE 20 -1.047 -3.692 5.465 139 HE2 PHE 20 HE1 PHE 20 2.741 -3.710 3.504 140 HZ PHE 20 HZ PHE 20 0.798 -2.476 4.377 141 H LEU 21 H LEU 21 2.042 -9.308 2.222 142 HA LEU 21 HA LEU 21 2.145 -6.922 0.579 143 HB2 LEU 21 2HB LEU 21 3.952 -9.363 0.764 144 HB3 LEU 21 3HB LEU 21 4.219 -8.073 -0.396 145 HG LEU 21 HG LEU 21 4.277 -7.732 2.635 146 HD11 LEU 21 1HD1 LEU 21 6.702 -7.412 2.372 147 HD12 LEU 21 2HD1 LEU 21 6.572 -7.755 0.644 148 HD13 LEU 21 3HD1 LEU 21 6.199 -9.010 1.824 149 HD21 LEU 21 3HD2 LEU 21 3.493 -5.689 1.530 150 HD22 LEU 21 1HD2 LEU 21 4.897 -5.704 0.456 151 HD23 LEU 21 2HD2 LEU 21 5.106 -5.457 2.192 152 H THR 22 H THR 22 1.241 -10.348 0.092 153 HA THR 22 HA THR 22 0.948 -10.122 -2.730 154 HB THR 22 HB THR 22 1.185 -12.331 -1.574 155 HG1 THR 22 HG1 THR 22 -0.457 -11.753 -3.626 156 HG21 THR 22 3HG2 THR 22 -0.765 -13.431 -0.566 157 HG22 THR 22 1HG2 THR 22 -1.709 -11.951 -0.749 158 HG23 THR 22 2HG2 THR 22 -0.315 -11.981 0.335 159 H LYS 23 H LYS 23 -1.307 -9.584 -0.014 160 HA LYS 23 HA LYS 23 -3.601 -9.032 -1.650 161 HB2 LYS 23 2HB LYS 23 -3.029 -8.297 1.252 162 HB3 LYS 23 3HB LYS 23 -4.581 -8.051 0.468 163 HG2 LYS 23 2HG LYS 23 -3.340 -10.800 0.712 164 HG3 LYS 23 3HG LYS 23 -4.292 -10.089 2.007 165 HD2 LYS 23 2HD LYS 23 -5.758 -11.528 0.813 166 HD3 LYS 23 3HD LYS 23 -6.217 -9.888 0.365 167 HE2 LYS 23 2HE LYS 23 -5.103 -10.127 -1.784 168 HE3 LYS 23 3HE LYS 23 -4.472 -11.710 -1.325 169 HZ1 LYS 23 3HZ LYS 23 -6.398 -11.948 -2.728 170 HZ2 LYS 23 1HZ LYS 23 -7.338 -11.004 -1.690 171 HZ3 LYS 23 2HZ LYS 23 -6.768 -12.510 -1.181 172 H LEU 24 H LEU 24 -1.071 -7.053 -0.131 173 HA LEU 24 HA LEU 24 -1.971 -4.517 -0.844 174 HB2 LEU 24 2HB LEU 24 -0.125 -4.856 0.753 175 HB3 LEU 24 3HB LEU 24 0.887 -5.531 -0.517 176 HG LEU 24 HG LEU 24 0.872 -3.290 -1.668 177 HD11 LEU 24 1HD1 LEU 24 0.129 -1.285 -0.468 178 HD12 LEU 24 2HD1 LEU 24 -0.566 -2.292 0.803 179 HD13 LEU 24 3HD1 LEU 24 -1.207 -2.372 -0.839 180 HD21 LEU 24 3HD2 LEU 24 2.761 -3.919 -0.252 181 HD22 LEU 24 1HD2 LEU 24 1.958 -3.246 1.169 182 HD23 LEU 24 2HD2 LEU 24 2.459 -2.187 -0.155 183 H TRP 25 H TRP 25 0.294 -6.695 -2.622 184 HA TRP 25 HA TRP 25 0.674 -5.027 -4.836 185 HB2 TRP 25 2HB TRP 25 2.212 -6.846 -4.520 186 HB3 TRP 25 3HB TRP 25 0.924 -8.045 -4.534 187 HD1 TRP 25 HD1 TRP 25 1.469 -9.499 -6.590 188 HE1 TRP 25 HE1 TRP 25 1.809 -9.097 -9.094 189 HE3 TRP 25 HE3 TRP 25 1.612 -4.354 -6.622 190 HZ2 TRP 25 HZ2 TRP 25 2.084 -6.945 -10.854 191 HZ3 TRP 25 HZ3 TRP 25 1.911 -3.213 -8.780 192 HH2 TRP 25 HH2 TRP 25 2.141 -4.490 -10.848 193 H THR 26 H THR 26 -1.771 -7.635 -4.369 194 HA THR 26 HA THR 26 -3.194 -7.401 -6.746 195 HB THR 26 HB THR 26 -4.391 -7.844 -3.964 196 HG1 THR 26 HG1 THR 26 -2.616 -9.301 -5.026 197 HG21 THR 26 3HG2 THR 26 -6.181 -9.063 -5.126 198 HG22 THR 26 1HG2 THR 26 -5.454 -8.688 -6.688 199 HG23 THR 26 2HG2 THR 26 -6.121 -7.393 -5.688 200 H LEU 27 H LEU 27 -3.585 -5.570 -3.733 201 HA LEU 27 HA LEU 27 -5.811 -4.017 -4.274 202 HB2 LEU 27 2HB LEU 27 -4.918 -4.427 -2.049 203 HB3 LEU 27 3HB LEU 27 -3.409 -3.624 -2.447 204 HG LEU 27 HG LEU 27 -4.540 -1.453 -2.515 205 HD11 LEU 27 1HD1 LEU 27 -6.705 -2.195 -3.359 206 HD12 LEU 27 2HD1 LEU 27 -6.875 -1.199 -1.924 207 HD13 LEU 27 3HD1 LEU 27 -7.070 -2.949 -1.806 208 HD21 LEU 27 3HD2 LEU 27 -5.053 -1.225 -0.123 209 HD22 LEU 27 1HD2 LEU 27 -3.628 -2.237 -0.360 210 HD23 LEU 27 2HD2 LEU 27 -5.179 -2.977 0.043 211 H VAL 28 H VAL 28 -2.395 -3.080 -4.492 212 HA VAL 28 HA VAL 28 -2.688 -0.429 -5.335 213 HB VAL 28 HB VAL 28 -0.372 -2.403 -5.647 214 HG11 VAL 28 1HG1 VAL 28 -0.291 0.608 -6.036 215 HG12 VAL 28 2HG1 VAL 28 -0.044 -0.615 -7.284 216 HG13 VAL 28 3HG1 VAL 28 1.118 -0.455 -5.968 217 HG21 VAL 28 3HG2 VAL 28 0.580 -1.281 -3.681 218 HG22 VAL 28 1HG2 VAL 28 -1.026 -1.912 -3.313 219 HG23 VAL 28 2HG2 VAL 28 -0.803 -0.188 -3.609 220 H SER 29 H SER 29 -2.556 -3.437 -7.164 221 HA SER 29 HA SER 29 -2.348 -2.066 -9.752 222 HB2 SER 29 2HB SER 29 -0.947 -4.100 -9.201 223 HB3 SER 29 3HB SER 29 -2.424 -5.052 -9.149 224 HG SER 29 HG SER 29 -2.070 -3.545 -11.449 225 H ASP 30 H ASP 30 -4.847 -2.920 -7.683 226 HA ASP 30 HA ASP 30 -6.630 -4.164 -9.601 227 HB2 ASP 30 2HB ASP 30 -6.546 -4.849 -7.191 228 HB3 ASP 30 3HB ASP 30 -7.180 -3.273 -6.729 229 HA PRO 31 HA PRO 31 -8.271 -0.198 -10.933 230 HB2 PRO 31 2HB PRO 31 -10.049 -1.019 -12.788 231 HB3 PRO 31 3HB PRO 31 -8.308 -1.293 -13.010 232 HG2 PRO 31 2HG PRO 31 -10.398 -3.219 -12.032 233 HG3 PRO 31 3HG PRO 31 -9.114 -3.481 -13.236 234 HD2 PRO 31 2HD PRO 31 -8.894 -4.247 -10.597 235 HD3 PRO 31 3HD PRO 31 -7.495 -3.844 -11.616 236 H ASP 32 H ASP 32 -10.215 -2.479 -9.159 237 HA ASP 32 HA ASP 32 -12.606 -0.830 -9.041 238 HB2 ASP 32 2HB ASP 32 -12.857 -3.244 -8.806 239 HB3 ASP 32 3HB ASP 32 -11.745 -3.294 -7.454 240 H THR 33 H THR 33 -9.626 -1.106 -7.280 241 HA THR 33 HA THR 33 -10.577 0.691 -5.129 242 HB THR 33 HB THR 33 -8.372 -0.077 -4.007 243 HG1 THR 33 HG1 THR 33 -7.286 -1.051 -5.674 244 HG21 THR 33 3HG2 THR 33 -9.357 -2.166 -3.179 245 HG22 THR 33 1HG2 THR 33 -10.498 -2.184 -4.526 246 HG23 THR 33 2HG2 THR 33 -10.602 -0.921 -3.296 247 H ASP 34 H ASP 34 -9.414 1.207 -8.027 248 HA ASP 34 HA ASP 34 -6.917 2.448 -7.900 249 HB2 ASP 34 2HB ASP 34 -7.410 3.371 -10.083 250 HB3 ASP 34 3HB ASP 34 -8.175 1.790 -10.000 251 H ALA 35 H ALA 35 -10.088 3.733 -7.115 252 HA ALA 35 HA ALA 35 -9.579 6.486 -7.225 253 HB1 ALA 35 3HB ALA 35 -11.645 6.754 -5.921 254 HB2 ALA 35 1HB ALA 35 -11.608 5.035 -5.495 255 HB3 ALA 35 2HB ALA 35 -11.843 5.525 -7.169 256 H LEU 36 H LEU 36 -9.030 4.181 -4.554 257 HA LEU 36 HA LEU 36 -8.124 6.410 -2.813 258 HB2 LEU 36 2HB LEU 36 -9.214 3.684 -2.014 259 HB3 LEU 36 3HB LEU 36 -8.563 4.861 -0.885 260 HG LEU 36 HG LEU 36 -11.090 5.158 -2.552 261 HD11 LEU 36 1HD1 LEU 36 -10.748 5.018 0.456 262 HD12 LEU 36 2HD1 LEU 36 -11.271 3.681 -0.574 263 HD13 LEU 36 3HD1 LEU 36 -12.267 5.126 -0.439 264 HD21 LEU 36 3HD2 LEU 36 -9.842 7.197 -0.675 265 HD22 LEU 36 1HD2 LEU 36 -11.425 7.338 -1.444 266 HD23 LEU 36 2HD2 LEU 36 -9.965 7.332 -2.430 267 H ILE 37 H ILE 37 -7.017 3.717 -4.597 268 HA ILE 37 HA ILE 37 -4.326 4.333 -3.789 269 HB ILE 37 HB ILE 37 -4.897 2.754 -2.020 270 HG12 ILE 37 2HG1 ILE 37 -2.993 1.389 -3.987 271 HG13 ILE 37 3HG1 ILE 37 -2.557 2.740 -2.946 272 HG21 ILE 37 1HG2 ILE 37 -5.527 0.420 -2.441 273 HG22 ILE 37 2HG2 ILE 37 -5.534 0.715 -4.180 274 HG23 ILE 37 3HG2 ILE 37 -6.704 1.532 -3.141 275 HD11 ILE 37 3HD1 ILE 37 -2.991 1.366 -0.967 276 HD12 ILE 37 1HD1 ILE 37 -1.771 0.657 -2.023 277 HD13 ILE 37 2HD1 ILE 37 -3.405 -0.000 -2.007 278 H CYS 38 H CYS 38 -2.978 4.110 -5.480 279 HA CYS 38 HA CYS 38 -3.132 1.917 -7.336 280 HB2 CYS 38 2HB CYS 38 -3.281 3.452 -9.387 281 HB3 CYS 38 3HB CYS 38 -4.775 3.250 -8.474 282 HG CYS 38 HG CYS 38 -5.113 5.709 -7.758 283 H TRP 39 H TRP 39 -1.291 1.904 -8.819 284 HA TRP 39 HA TRP 39 1.114 2.741 -7.431 285 HB2 TRP 39 2HB TRP 39 2.335 1.454 -9.229 286 HB3 TRP 39 3HB TRP 39 1.163 0.496 -8.344 287 HD1 TRP 39 HD1 TRP 39 -1.296 0.124 -9.763 288 HE1 TRP 39 HE1 TRP 39 -1.597 -0.366 -12.266 289 HE3 TRP 39 HE3 TRP 39 3.244 1.729 -11.459 290 HZ2 TRP 39 HZ2 TRP 39 -0.111 -0.120 -14.649 291 HZ3 TRP 39 HZ3 TRP 39 3.742 1.568 -13.862 292 HH2 TRP 39 HH2 TRP 39 2.096 0.659 -15.427 293 H SER 40 H SER 40 2.798 3.985 -8.321 294 HA SER 40 HA SER 40 1.986 6.269 -9.900 295 HB2 SER 40 2HB SER 40 4.762 5.441 -8.899 296 HB3 SER 40 3HB SER 40 4.293 7.046 -9.463 297 HG SER 40 HG SER 40 4.361 6.704 -7.122 298 HA PRO 41 HA PRO 41 3.164 4.530 -13.956 299 HB2 PRO 41 2HB PRO 41 4.315 7.255 -14.566 300 HB3 PRO 41 3HB PRO 41 3.132 6.295 -15.482 301 HG2 PRO 41 2HG PRO 41 2.296 8.384 -14.085 302 HG3 PRO 41 3HG PRO 41 1.348 6.876 -14.067 303 HD2 PRO 41 2HD PRO 41 3.245 7.935 -11.963 304 HD3 PRO 41 3HD PRO 41 1.637 7.195 -11.762 305 H SER 42 H SER 42 5.489 5.990 -11.835 306 HA SER 42 HA SER 42 7.935 5.185 -12.986 307 HB2 SER 42 2HB SER 42 7.273 5.352 -10.013 308 HB3 SER 42 3HB SER 42 8.851 5.580 -10.762 309 HG SER 42 HG SER 42 8.008 7.460 -11.769 310 H GLY 43 H GLY 43 5.684 3.580 -10.775 311 HA2 GLY 43 2HA GLY 43 5.099 1.312 -10.763 312 HA3 GLY 43 3HA GLY 43 6.595 0.909 -11.584 313 H ASN 44 H ASN 44 7.596 2.896 -9.208 314 HA ASN 44 HA ASN 44 8.478 0.622 -7.536 315 HB2 ASN 44 2HB ASN 44 10.413 2.151 -6.936 316 HB3 ASN 44 3HB ASN 44 10.349 1.684 -8.626 317 HD21 ASN 44 1HD2 ASN 44 11.709 3.450 -9.066 318 HD22 ASN 44 2HD2 ASN 44 11.099 5.062 -9.150 319 H SER 45 H SER 45 6.080 2.661 -7.375 320 HA SER 45 HA SER 45 6.029 3.080 -4.531 321 HB2 SER 45 2HB SER 45 5.742 5.612 -4.808 322 HB3 SER 45 3HB SER 45 7.376 5.016 -5.086 323 HG SER 45 HG SER 45 7.161 6.124 -6.870 324 H PHE 46 H PHE 46 3.909 3.985 -3.850 325 HA PHE 46 HA PHE 46 1.810 4.144 -5.896 326 HB2 PHE 46 2HB PHE 46 0.331 2.544 -4.746 327 HB3 PHE 46 3HB PHE 46 1.808 1.764 -5.278 328 HD1 PHE 46 HD2 PHE 46 3.559 1.104 -3.578 329 HD2 PHE 46 HD1 PHE 46 -0.274 2.578 -2.380 330 HE1 PHE 46 HE2 PHE 46 3.893 0.161 -1.327 331 HE2 PHE 46 HE1 PHE 46 0.072 1.632 -0.134 332 HZ PHE 46 HZ PHE 46 2.151 0.424 0.394 333 H HIS 47 H HIS 47 -0.043 5.284 -5.249 334 HA HIS 47 HA HIS 47 0.341 7.029 -2.891 335 HB2 HIS 47 2HB HIS 47 -1.262 7.481 -5.455 336 HB3 HIS 47 3HB HIS 47 -1.239 8.597 -4.090 337 HD1 HIS 47 HD1 HIS 47 0.552 10.356 -4.142 338 HD2 HIS 47 HD2 HIS 47 1.379 7.201 -6.730 339 HE1 HIS 47 HE1 HIS 47 2.634 11.013 -5.389 340 HE2 HIS 47 HE2 HIS 47 3.212 9.014 -6.785 341 H VAL 48 H VAL 48 -1.321 7.337 -1.461 342 HA VAL 48 HA VAL 48 -3.705 5.589 -1.596 343 HB VAL 48 HB VAL 48 -2.017 6.239 0.890 344 HG11 VAL 48 1HG1 VAL 48 -4.613 4.650 0.740 345 HG12 VAL 48 2HG1 VAL 48 -4.411 6.247 1.463 346 HG13 VAL 48 3HG1 VAL 48 -3.605 4.851 2.176 347 HG21 VAL 48 3HG2 VAL 48 -1.014 4.470 -0.508 348 HG22 VAL 48 1HG2 VAL 48 -2.520 3.551 -0.459 349 HG23 VAL 48 2HG2 VAL 48 -1.589 3.809 1.020 350 H PHE 49 H PHE 49 -5.494 6.746 -1.528 351 HA PHE 49 HA PHE 49 -5.434 9.599 -0.769 352 HB2 PHE 49 2HB PHE 49 -7.362 8.122 -2.619 353 HB3 PHE 49 3HB PHE 49 -7.446 9.840 -2.223 354 HD1 PHE 49 HD1 PHE 49 -5.574 7.254 -4.088 355 HD2 PHE 49 HD2 PHE 49 -5.862 11.431 -3.196 356 HE1 PHE 49 HE1 PHE 49 -3.990 7.759 -5.906 357 HE2 PHE 49 HE2 PHE 49 -4.285 11.921 -5.017 358 HZ PHE 49 HZ PHE 49 -3.345 10.087 -6.364 359 H ASP 50 H ASP 50 -6.952 10.424 0.582 360 HA ASP 50 HA ASP 50 -8.119 10.484 2.516 361 HB2 ASP 50 2HB ASP 50 -9.959 8.946 0.632 362 HB3 ASP 50 3HB ASP 50 -10.498 9.542 2.198 363 H GLN 51 H GLN 51 -6.525 9.212 3.661 364 HA GLN 51 HA GLN 51 -6.423 6.463 3.981 365 HB2 GLN 51 2HB GLN 51 -5.636 8.612 5.988 366 HB3 GLN 51 3HB GLN 51 -5.162 6.914 6.092 367 HG2 GLN 51 2HG GLN 51 -3.917 7.085 3.987 368 HG3 GLN 51 3HG GLN 51 -4.427 8.762 3.787 369 HE21 GLN 51 1HE2 GLN 51 -2.340 6.587 5.522 370 HE22 GLN 51 2HE2 GLN 51 -1.348 7.783 6.266 371 H GLY 52 H GLY 52 -8.629 8.698 5.596 372 HA2 GLY 52 2HA GLY 52 -9.645 6.928 7.600 373 HA3 GLY 52 3HA GLY 52 -10.458 8.345 6.952 374 H GLN 53 H GLN 53 -10.777 7.742 4.311 375 HA GLN 53 HA GLN 53 -13.082 6.030 4.316 376 HB2 GLN 53 2HB GLN 53 -12.917 8.091 2.947 377 HB3 GLN 53 3HB GLN 53 -11.594 7.391 2.021 378 HG2 GLN 53 2HG GLN 53 -13.564 7.258 0.660 379 HG3 GLN 53 3HG GLN 53 -13.216 5.621 1.215 380 HE21 GLN 53 1HE2 GLN 53 -15.391 4.979 0.844 381 HE22 GLN 53 2HE2 GLN 53 -16.672 5.488 1.889 382 H PHE 54 H PHE 54 -9.800 5.797 3.098 383 HA PHE 54 HA PHE 54 -9.868 3.379 1.702 384 HB2 PHE 54 2HB PHE 54 -8.020 4.953 1.438 385 HB3 PHE 54 3HB PHE 54 -7.629 4.886 3.146 386 HD1 PHE 54 HD2 PHE 54 -7.287 3.148 -0.108 387 HD2 PHE 54 HD1 PHE 54 -6.280 3.042 4.050 388 HE1 PHE 54 HE2 PHE 54 -5.569 1.443 -0.545 389 HE2 PHE 54 HE1 PHE 54 -4.561 1.348 3.588 390 HZ PHE 54 HZ PHE 54 -4.210 0.541 1.290 391 H ALA 55 H ALA 55 -8.978 4.095 5.076 392 HA ALA 55 HA ALA 55 -8.510 1.453 5.904 393 HB1 ALA 55 3HB ALA 55 -7.765 3.424 7.191 394 HB2 ALA 55 1HB ALA 55 -8.706 2.325 8.196 395 HB3 ALA 55 2HB ALA 55 -9.442 3.807 7.584 396 H LYS 56 H LYS 56 -11.438 3.315 5.618 397 HA LYS 56 HA LYS 56 -13.214 1.790 7.197 398 HB2 LYS 56 2HB LYS 56 -13.731 4.064 6.670 399 HB3 LYS 56 3HB LYS 56 -13.516 3.795 4.951 400 HG2 LYS 56 2HG LYS 56 -15.631 2.126 5.408 401 HG3 LYS 56 3HG LYS 56 -15.907 3.334 6.662 402 HD2 LYS 56 2HD LYS 56 -15.829 5.128 4.948 403 HD3 LYS 56 3HD LYS 56 -15.535 3.912 3.697 404 HE2 LYS 56 2HE LYS 56 -18.016 4.104 5.413 405 HE3 LYS 56 3HE LYS 56 -17.886 4.660 3.750 406 HZ1 LYS 56 3HZ LYS 56 -17.467 2.382 3.077 407 HZ2 LYS 56 1HZ LYS 56 -18.938 2.498 3.901 408 HZ3 LYS 56 2HZ LYS 56 -17.584 1.859 4.679 409 H GLU 57 H GLU 57 -12.827 1.851 3.603 410 HA GLU 57 HA GLU 57 -14.616 -0.516 3.413 411 HB2 GLU 57 2HB GLU 57 -14.963 0.231 1.000 412 HB3 GLU 57 3HB GLU 57 -15.591 1.315 2.232 413 HG2 GLU 57 2HG GLU 57 -13.914 2.927 1.862 414 HG3 GLU 57 3HG GLU 57 -12.877 1.793 1.029 415 H VAL 58 H VAL 58 -11.412 0.570 2.524 416 HA VAL 58 HA VAL 58 -11.023 -1.472 0.488 417 HB VAL 58 HB VAL 58 -9.128 0.620 1.652 418 HG11 VAL 58 1HG1 VAL 58 -7.685 0.144 -0.307 419 HG12 VAL 58 2HG1 VAL 58 -8.718 -1.223 -0.726 420 HG13 VAL 58 3HG1 VAL 58 -7.817 -1.228 0.792 421 HG21 VAL 58 3HG2 VAL 58 -9.522 1.842 -0.469 422 HG22 VAL 58 1HG2 VAL 58 -11.020 1.617 0.437 423 HG23 VAL 58 2HG2 VAL 58 -10.682 0.611 -0.973 424 H LEU 59 H LEU 59 -9.590 -0.690 3.689 425 HA LEU 59 HA LEU 59 -7.783 -2.840 3.778 426 HB2 LEU 59 2HB LEU 59 -8.931 -1.161 6.024 427 HB3 LEU 59 3HB LEU 59 -7.749 -2.423 6.316 428 HG LEU 59 HG LEU 59 -7.339 0.142 4.730 429 HD11 LEU 59 1HD1 LEU 59 -5.631 0.623 6.425 430 HD12 LEU 59 2HD1 LEU 59 -6.020 -0.878 7.268 431 HD13 LEU 59 3HD1 LEU 59 -7.222 0.409 7.153 432 HD21 LEU 59 3HD2 LEU 59 -6.188 -1.630 3.519 433 HD22 LEU 59 1HD2 LEU 59 -5.401 -2.184 5.002 434 HD23 LEU 59 2HD2 LEU 59 -5.017 -0.597 4.330 435 HA PRO 60 HA PRO 60 -11.027 -5.477 6.353 436 HB2 PRO 60 2HB PRO 60 -13.714 -4.939 5.988 437 HB3 PRO 60 3HB PRO 60 -12.754 -4.224 7.297 438 HG2 PRO 60 2HG PRO 60 -13.473 -3.023 4.639 439 HG3 PRO 60 3HG PRO 60 -13.560 -2.290 6.261 440 HD2 PRO 60 2HD PRO 60 -11.505 -1.760 4.613 441 HD3 PRO 60 3HD PRO 60 -11.249 -1.925 6.367 442 H LYS 61 H LYS 61 -11.448 -4.307 3.108 443 HA LYS 61 HA LYS 61 -12.815 -6.603 2.030 444 HB2 LYS 61 2HB LYS 61 -13.004 -4.366 1.004 445 HB3 LYS 61 3HB LYS 61 -11.281 -4.349 0.655 446 HG2 LYS 61 2HG LYS 61 -11.573 -6.233 -0.913 447 HG3 LYS 61 3HG LYS 61 -13.306 -6.259 -0.561 448 HD2 LYS 61 2HD LYS 61 -13.591 -4.031 -1.533 449 HD3 LYS 61 3HD LYS 61 -11.841 -3.855 -1.726 450 HE2 LYS 61 2HE LYS 61 -12.942 -4.396 -3.864 451 HE3 LYS 61 3HE LYS 61 -11.824 -5.674 -3.382 452 HZ1 LYS 61 3HZ LYS 61 -13.907 -6.572 -4.200 453 HZ2 LYS 61 1HZ LYS 61 -14.775 -5.722 -3.028 454 HZ3 LYS 61 2HZ LYS 61 -13.713 -6.953 -2.568 455 H TYR 62 H TYR 62 -9.435 -5.397 1.769 456 HA TYR 62 HA TYR 62 -8.525 -7.896 0.526 457 HB2 TYR 62 2HB TYR 62 -7.122 -5.257 1.118 458 HB3 TYR 62 3HB TYR 62 -6.250 -6.665 0.505 459 HD1 TYR 62 HD2 TYR 62 -9.129 -4.410 -0.268 460 HD2 TYR 62 HD1 TYR 62 -6.232 -7.135 -1.829 461 HE1 TYR 62 HE2 TYR 62 -9.872 -3.896 -2.543 462 HE2 TYR 62 HE1 TYR 62 -6.990 -6.619 -4.108 463 HH TYR 62 HH TYR 62 -8.878 -4.000 -4.885 464 H PHE 63 H PHE 63 -7.886 -6.076 3.472 465 HA PHE 63 HA PHE 63 -6.387 -8.332 4.646 466 HB2 PHE 63 2HB PHE 63 -6.643 -5.453 5.664 467 HB3 PHE 63 3HB PHE 63 -5.512 -6.680 6.238 468 HD1 PHE 63 HD2 PHE 63 -3.620 -7.442 4.710 469 HD2 PHE 63 HD1 PHE 63 -6.131 -4.125 3.701 470 HE1 PHE 63 HE2 PHE 63 -2.006 -6.717 3.000 471 HE2 PHE 63 HE1 PHE 63 -4.506 -3.421 1.988 472 HZ PHE 63 HZ PHE 63 -2.443 -4.716 1.638 473 H LYS 64 H LYS 64 -6.867 -8.159 7.302 474 HA LYS 64 HA LYS 64 -9.788 -8.665 7.503 475 HB2 LYS 64 2HB LYS 64 -9.115 -10.410 9.239 476 HB3 LYS 64 3HB LYS 64 -8.663 -10.778 7.581 477 HG2 LYS 64 2HG LYS 64 -6.341 -9.978 8.066 478 HG3 LYS 64 3HG LYS 64 -6.816 -9.740 9.749 479 HD2 LYS 64 2HD LYS 64 -5.612 -11.871 9.442 480 HD3 LYS 64 3HD LYS 64 -7.268 -12.142 9.990 481 HE2 LYS 64 2HE LYS 64 -6.551 -13.738 8.208 482 HE3 LYS 64 3HE LYS 64 -7.959 -12.784 7.745 483 HZ1 LYS 64 3HZ LYS 64 -5.170 -12.165 6.916 484 HZ2 LYS 64 1HZ LYS 64 -6.577 -11.404 6.374 485 HZ3 LYS 64 2HZ LYS 64 -6.280 -13.016 5.967 486 H HIS 65 H HIS 65 -8.769 -6.142 7.866 487 HA HIS 65 HA HIS 65 -9.570 -5.500 10.551 488 HB2 HIS 65 2HB HIS 65 -7.531 -4.266 11.211 489 HB3 HIS 65 3HB HIS 65 -7.141 -5.962 10.944 490 HD1 HIS 65 HD1 HIS 65 -6.545 -2.527 9.504 491 HD2 HIS 65 HD2 HIS 65 -5.368 -6.457 8.844 492 HE1 HIS 65 HE1 HIS 65 -4.642 -2.399 7.872 493 HE2 HIS 65 HE2 HIS 65 -3.825 -4.765 7.655 494 H ASN 66 H ASN 66 -9.736 -3.120 10.815 495 HA ASN 66 HA ASN 66 -10.080 -1.708 8.231 496 HB2 ASN 66 2HB ASN 66 -11.854 -0.348 9.349 497 HB3 ASN 66 3HB ASN 66 -12.271 -2.049 9.234 498 HD21 ASN 66 1HD2 ASN 66 -13.762 -1.937 10.902 499 HD22 ASN 66 2HD2 ASN 66 -13.323 -1.709 12.555 500 H ASN 67 H ASN 67 -8.296 -1.864 11.068 501 HA ASN 67 HA ASN 67 -7.873 0.912 11.610 502 HB2 ASN 67 2HB ASN 67 -7.640 -0.787 13.363 503 HB3 ASN 67 3HB ASN 67 -6.333 -1.566 12.486 504 HD21 ASN 67 1HD2 ASN 67 -7.231 1.353 14.239 505 HD22 ASN 67 2HD2 ASN 67 -5.618 1.819 14.647 506 H MET 68 H MET 68 -6.661 2.294 10.492 507 HA MET 68 HA MET 68 -5.042 1.563 8.261 508 HB2 MET 68 2HB MET 68 -6.318 3.700 8.374 509 HB3 MET 68 3HB MET 68 -5.250 4.276 9.649 510 HG2 MET 68 2HG MET 68 -4.690 5.242 7.468 511 HG3 MET 68 3HG MET 68 -3.368 4.220 8.051 512 HE1 MET 68 3HE MET 68 -3.953 5.231 4.986 513 HE2 MET 68 1HE MET 68 -3.477 3.790 4.089 514 HE3 MET 68 2HE MET 68 -2.495 4.350 5.444 515 H ALA 69 H ALA 69 -4.341 2.522 11.580 516 HA ALA 69 HA ALA 69 -1.596 3.013 11.415 517 HB1 ALA 69 3HB ALA 69 -2.944 3.599 13.380 518 HB2 ALA 69 1HB ALA 69 -1.546 2.636 13.855 519 HB3 ALA 69 2HB ALA 69 -3.147 1.893 13.780 520 H SER 70 H SER 70 -3.323 -0.057 11.661 521 HA SER 70 HA SER 70 -1.176 -1.828 12.133 522 HB2 SER 70 2HB SER 70 -3.518 -2.507 12.399 523 HB3 SER 70 3HB SER 70 -3.836 -2.240 10.686 524 HG SER 70 HG SER 70 -2.230 -4.244 11.895 525 H PHE 71 H PHE 71 -2.670 -0.610 9.159 526 HA PHE 71 HA PHE 71 -1.313 -2.223 7.270 527 HB2 PHE 71 2HB PHE 71 -3.438 -1.168 6.706 528 HB3 PHE 71 3HB PHE 71 -2.807 0.436 7.055 529 HD1 PHE 71 HD1 PHE 71 -2.345 -2.465 4.733 530 HD2 PHE 71 HD2 PHE 71 -1.956 1.761 5.263 531 HE1 PHE 71 HE1 PHE 71 -1.744 -2.212 2.360 532 HE2 PHE 71 HE2 PHE 71 -1.342 2.004 2.884 533 HZ PHE 71 HZ PHE 71 -1.225 0.009 1.438 534 H VAL 72 H VAL 72 -0.903 1.201 8.190 535 HA VAL 72 HA VAL 72 1.416 1.743 6.717 536 HB VAL 72 HB VAL 72 0.481 3.110 9.287 537 HG11 VAL 72 1HG1 VAL 72 2.790 3.732 8.705 538 HG12 VAL 72 2HG1 VAL 72 1.699 5.095 8.469 539 HG13 VAL 72 3HG1 VAL 72 2.280 4.182 7.074 540 HG21 VAL 72 3HG2 VAL 72 -0.243 3.775 6.399 541 HG22 VAL 72 1HG2 VAL 72 -0.723 4.702 7.824 542 HG23 VAL 72 2HG2 VAL 72 -1.321 3.060 7.598 543 H ARG 73 H ARG 73 1.026 0.559 10.097 544 HA ARG 73 HA ARG 73 3.692 0.717 10.966 545 HB2 ARG 73 2HB ARG 73 1.844 0.201 12.519 546 HB3 ARG 73 3HB ARG 73 1.585 -1.356 11.747 547 HG2 ARG 73 2HG ARG 73 3.817 -2.106 12.523 548 HG3 ARG 73 3HG ARG 73 4.082 -0.538 13.283 549 HD2 ARG 73 2HD ARG 73 2.152 -0.963 14.800 550 HD3 ARG 73 3HD ARG 73 1.923 -2.544 14.040 551 HE ARG 73 HE ARG 73 4.414 -2.852 14.803 552 HH11 ARG 73 1HH1 ARG 73 1.870 -1.308 16.699 553 HH12 ARG 73 2HH1 ARG 73 2.580 -1.742 18.220 554 HH21 ARG 73 1HH2 ARG 73 5.321 -3.416 16.804 555 HH22 ARG 73 2HH2 ARG 73 4.545 -2.944 18.281 556 H GLN 74 H GLN 74 2.016 -1.848 9.194 557 HA GLN 74 HA GLN 74 4.011 -3.816 9.093 558 HB2 GLN 74 2HB GLN 74 1.811 -3.072 7.133 559 HB3 GLN 74 3HB GLN 74 2.851 -4.458 6.877 560 HG2 GLN 74 2HG GLN 74 1.047 -4.105 9.285 561 HG3 GLN 74 3HG GLN 74 0.624 -5.012 7.834 562 HE21 GLN 74 1HE2 GLN 74 1.682 -6.987 7.409 563 HE22 GLN 74 2HE2 GLN 74 2.566 -7.833 8.626 564 H LEU 75 H LEU 75 3.289 -1.134 6.829 565 HA LEU 75 HA LEU 75 5.330 -1.649 4.967 566 HB2 LEU 75 2HB LEU 75 3.770 0.885 5.617 567 HB3 LEU 75 3HB LEU 75 4.828 0.734 4.221 568 HG LEU 75 HG LEU 75 2.442 -1.102 4.680 569 HD11 LEU 75 1HD1 LEU 75 1.192 0.234 3.067 570 HD12 LEU 75 2HD1 LEU 75 2.521 1.392 2.966 571 HD13 LEU 75 3HD1 LEU 75 1.634 1.194 4.477 572 HD21 LEU 75 3HD2 LEU 75 4.141 -0.591 2.217 573 HD22 LEU 75 1HD2 LEU 75 2.678 -1.581 2.262 574 HD23 LEU 75 2HD2 LEU 75 4.098 -2.062 3.194 575 H ASN 76 H ASN 76 5.258 0.514 7.836 576 HA ASN 76 HA ASN 76 7.796 1.651 7.641 577 HB2 ASN 76 2HB ASN 76 6.200 0.873 10.124 578 HB3 ASN 76 3HB ASN 76 7.759 1.667 10.246 579 HD21 ASN 76 1HD2 ASN 76 4.424 2.105 9.711 580 HD22 ASN 76 2HD2 ASN 76 4.447 3.813 9.480 581 H MET 77 H MET 77 6.841 -1.478 9.029 582 HA MET 77 HA MET 77 9.491 -2.221 9.854 583 HB2 MET 77 2HB MET 77 6.918 -3.838 9.610 584 HB3 MET 77 3HB MET 77 8.419 -4.479 10.270 585 HG2 MET 77 2HG MET 77 8.380 -2.747 12.040 586 HG3 MET 77 3HG MET 77 6.855 -2.142 11.394 587 HE1 MET 77 3HE MET 77 4.452 -5.188 12.127 588 HE2 MET 77 1HE MET 77 5.358 -4.936 10.637 589 HE3 MET 77 2HE MET 77 4.569 -3.571 11.434 590 H TYR 78 H TYR 78 7.664 -2.571 6.890 591 HA TYR 78 HA TYR 78 9.595 -4.398 5.668 592 HB2 TYR 78 2HB TYR 78 7.062 -3.062 4.650 593 HB3 TYR 78 3HB TYR 78 8.144 -3.927 3.566 594 HD1 TYR 78 HD1 TYR 78 8.817 -6.387 4.490 595 HD2 TYR 78 HD2 TYR 78 5.202 -4.318 5.447 596 HE1 TYR 78 HE1 TYR 78 7.727 -8.525 4.988 597 HE2 TYR 78 HE2 TYR 78 4.112 -6.469 5.954 598 HH TYR 78 HH TYR 78 5.885 -9.418 6.191 599 H GLY 79 H GLY 79 9.652 -1.189 6.419 600 HA2 GLY 79 2HA GLY 79 11.392 0.247 6.071 601 HA3 GLY 79 3HA GLY 79 12.018 -0.814 4.826 602 H PHE 80 H PHE 80 8.712 0.138 4.371 603 HA PHE 80 HA PHE 80 9.286 1.628 1.973 604 HB2 PHE 80 2HB PHE 80 6.694 1.134 3.533 605 HB3 PHE 80 3HB PHE 80 6.745 2.169 2.110 606 HD1 PHE 80 HD1 PHE 80 7.895 -1.309 3.066 607 HD2 PHE 80 HD2 PHE 80 6.030 1.176 0.114 608 HE1 PHE 80 HE1 PHE 80 7.523 -3.280 1.625 609 HE2 PHE 80 HE2 PHE 80 5.670 -0.800 -1.307 610 HZ PHE 80 HZ PHE 80 6.414 -3.022 -0.559 611 H ARG 81 H ARG 81 9.037 3.872 1.658 612 HA ARG 81 HA ARG 81 9.390 5.492 4.094 613 HB2 ARG 81 2HB ARG 81 11.231 5.584 2.451 614 HB3 ARG 81 3HB ARG 81 10.117 6.089 1.188 615 HG2 ARG 81 2HG ARG 81 9.746 8.226 2.296 616 HG3 ARG 81 3HG ARG 81 10.699 7.716 3.690 617 HD2 ARG 81 2HD ARG 81 12.723 7.623 2.280 618 HD3 ARG 81 3HD ARG 81 11.770 8.097 0.871 619 HE ARG 81 HE ARG 81 11.340 10.105 2.670 620 HH11 ARG 81 1HH1 ARG 81 14.253 8.714 1.230 621 HH12 ARG 81 2HH1 ARG 81 15.153 10.194 1.324 622 HH21 ARG 81 1HH2 ARG 81 12.531 12.045 2.789 623 HH22 ARG 81 2HH2 ARG 81 14.167 12.095 2.216 624 H LYS 82 H LYS 82 7.739 6.618 4.752 625 HA LYS 82 HA LYS 82 5.348 7.235 3.367 626 HB2 LYS 82 2HB LYS 82 5.384 7.019 5.789 627 HB3 LYS 82 3HB LYS 82 6.668 8.212 5.939 628 HG2 LYS 82 2HG LYS 82 4.603 9.186 6.696 629 HG3 LYS 82 3HG LYS 82 5.082 9.978 5.193 630 HD2 LYS 82 2HD LYS 82 3.447 8.587 3.952 631 HD3 LYS 82 3HD LYS 82 2.970 7.806 5.464 632 HE2 LYS 82 2HE LYS 82 2.679 10.761 4.827 633 HE3 LYS 82 3HE LYS 82 1.380 9.569 4.819 634 HZ1 LYS 82 3HZ LYS 82 1.734 9.216 7.181 635 HZ2 LYS 82 1HZ LYS 82 1.395 10.841 6.859 636 HZ3 LYS 82 2HZ LYS 82 2.980 10.359 7.191 637 H VAL 83 H VAL 83 5.284 8.670 1.692 638 HA VAL 83 HA VAL 83 6.775 11.227 1.843 639 HB VAL 83 HB VAL 83 6.230 9.555 -0.679 640 HG11 VAL 83 1HG1 VAL 83 7.544 11.252 -1.907 641 HG12 VAL 83 2HG1 VAL 83 7.666 12.231 -0.444 642 HG13 VAL 83 3HG1 VAL 83 6.091 11.948 -1.187 643 HG21 VAL 83 3HG2 VAL 83 8.693 9.272 -0.827 644 HG22 VAL 83 1HG2 VAL 83 8.037 8.566 0.653 645 HG23 VAL 83 2HG2 VAL 83 8.885 10.112 0.714 646 H VAL 84 H VAL 84 5.229 12.760 2.194 647 HA VAL 84 HA VAL 84 2.456 12.276 1.251 648 HB VAL 84 HB VAL 84 2.513 12.201 3.675 649 HG11 VAL 84 1HG1 VAL 84 3.293 14.038 5.108 650 HG12 VAL 84 2HG1 VAL 84 3.877 14.907 3.690 651 HG13 VAL 84 3HG1 VAL 84 4.601 13.362 4.139 652 HG21 VAL 84 3HG2 VAL 84 0.894 13.985 4.245 653 HG22 VAL 84 1HG2 VAL 84 0.542 13.271 2.672 654 HG23 VAL 84 2HG2 VAL 84 1.321 14.854 2.767 655 H HIS 85 H HIS 85 1.677 13.717 -0.183 656 HA HIS 85 HA HIS 85 3.515 15.827 -1.116 657 HB2 HIS 85 2HB HIS 85 1.155 14.465 -2.481 658 HB3 HIS 85 3HB HIS 85 2.142 15.723 -3.228 659 HD1 HIS 85 HD1 HIS 85 3.821 14.750 -4.762 660 HD2 HIS 85 HD2 HIS 85 3.021 12.164 -1.605 661 HE1 HIS 85 HE1 HIS 85 5.222 12.707 -5.175 662 HE2 HIS 85 HE2 HIS 85 4.873 11.267 -3.160 663 H ILE 86 H ILE 86 0.333 15.450 0.300 664 HA ILE 86 HA ILE 86 -0.529 18.170 -0.378 665 HB ILE 86 HB ILE 86 -1.970 15.957 1.182 666 HG12 ILE 86 2HG1 ILE 86 -1.772 15.454 -1.221 667 HG13 ILE 86 3HG1 ILE 86 -3.444 15.811 -0.822 668 HG21 ILE 86 1HG2 ILE 86 -4.003 17.381 1.062 669 HG22 ILE 86 2HG2 ILE 86 -3.047 18.698 0.381 670 HG23 ILE 86 3HG2 ILE 86 -2.732 18.136 2.024 671 HD11 ILE 86 3HD1 ILE 86 -3.177 18.055 -1.805 672 HD12 ILE 86 1HD1 ILE 86 -2.821 16.767 -2.957 673 HD13 ILE 86 2HD1 ILE 86 -1.503 17.667 -2.211 674 H GLU 87 H GLU 87 0.523 19.670 0.813 675 HA GLU 87 HA GLU 87 0.767 19.477 3.725 676 HB2 GLU 87 2HB GLU 87 1.787 21.370 1.613 677 HB3 GLU 87 3HB GLU 87 1.580 22.002 3.234 678 HG2 GLU 87 2HG GLU 87 3.236 19.549 2.628 679 HG3 GLU 87 3HG GLU 87 3.889 21.185 2.654 680 H GLN 88 H GLN 88 -1.212 19.585 4.623 681 HA GLN 88 HA GLN 88 -3.324 21.341 3.806 682 HB2 GLN 88 2HB GLN 88 -3.014 19.902 6.487 683 HB3 GLN 88 3HB GLN 88 -4.502 20.557 5.811 684 HG2 GLN 88 2HG GLN 88 -4.460 18.879 4.017 685 HG3 GLN 88 3HG GLN 88 -2.930 18.248 4.625 686 HE21 GLN 88 1HE2 GLN 88 -5.433 16.827 4.270 687 HE22 GLN 88 2HE2 GLN 88 -5.876 16.214 5.822 688 H GLY 89 H GLY 89 -2.610 23.441 3.823 689 HA2 GLY 89 2HA GLY 89 -2.459 24.839 6.361 690 HA3 GLY 89 3HA GLY 89 -0.962 24.866 5.426 691 H GLY 90 H GLY 90 -0.809 26.821 4.472 692 HA2 GLY 90 2HA GLY 90 -3.186 28.184 3.388 693 HA3 GLY 90 3HA GLY 90 -1.611 28.900 3.701 694 H LEU 91 H LEU 91 -2.664 26.030 1.817 695 HA LEU 91 HA LEU 91 -1.313 27.111 -0.602 696 HB2 LEU 91 2HB LEU 91 -1.520 24.211 0.347 697 HB3 LEU 91 3HB LEU 91 -0.870 24.691 -1.212 698 HG LEU 91 HG LEU 91 0.333 25.324 1.509 699 HD11 LEU 91 1HD1 LEU 91 2.173 23.853 0.824 700 HD12 LEU 91 2HD1 LEU 91 1.335 23.483 -0.685 701 HD13 LEU 91 3HD1 LEU 91 0.637 22.991 0.859 702 HD21 LEU 91 3HD2 LEU 91 2.252 26.291 0.286 703 HD22 LEU 91 1HD2 LEU 91 0.761 27.194 0.009 704 HD23 LEU 91 2HD2 LEU 91 1.372 26.102 -1.234 705 H VAL 92 H VAL 92 -2.164 26.095 -2.665 706 HA VAL 92 HA VAL 92 -5.077 25.585 -2.540 707 HB VAL 92 HB VAL 92 -4.624 27.692 -3.696 708 HG11 VAL 92 1HG1 VAL 92 -2.942 26.165 -5.703 709 HG12 VAL 92 2HG1 VAL 92 -2.337 27.285 -4.485 710 HG13 VAL 92 3HG1 VAL 92 -3.372 27.876 -5.785 711 HG21 VAL 92 3HG2 VAL 92 -6.552 26.358 -4.430 712 HG22 VAL 92 1HG2 VAL 92 -5.556 25.538 -5.633 713 HG23 VAL 92 2HG2 VAL 92 -5.883 27.266 -5.785 714 H LYS 93 H LYS 93 -4.539 23.459 -2.043 715 HA LYS 93 HA LYS 93 -4.339 21.709 -4.406 716 HB2 LYS 93 2HB LYS 93 -2.785 21.360 -1.793 717 HB3 LYS 93 3HB LYS 93 -3.056 20.030 -2.916 718 HG2 LYS 93 2HG LYS 93 -1.825 21.299 -4.670 719 HG3 LYS 93 3HG LYS 93 -1.492 22.570 -3.489 720 HD2 LYS 93 2HD LYS 93 -0.172 21.024 -2.123 721 HD3 LYS 93 3HD LYS 93 -0.614 19.668 -3.171 722 HE2 LYS 93 2HE LYS 93 1.664 20.452 -3.666 723 HE3 LYS 93 3HE LYS 93 0.601 20.720 -5.049 724 HZ1 LYS 93 3HZ LYS 93 1.371 22.790 -3.060 725 HZ2 LYS 93 1HZ LYS 93 0.423 23.036 -4.439 726 HZ3 LYS 93 2HZ LYS 93 2.050 22.611 -4.592 727 HA PRO 94 HA PRO 94 -7.931 19.815 -2.400 728 HB2 PRO 94 2HB PRO 94 -7.672 17.137 -2.876 729 HB3 PRO 94 3HB PRO 94 -8.069 18.280 -4.178 730 HG2 PRO 94 2HG PRO 94 -5.375 17.183 -3.427 731 HG3 PRO 94 3HG PRO 94 -6.135 17.242 -5.040 732 HD2 PRO 94 2HD PRO 94 -4.342 19.110 -4.320 733 HD3 PRO 94 3HD PRO 94 -5.786 19.573 -5.256 734 H GLU 95 H GLU 95 -8.338 19.256 -0.341 735 HA GLU 95 HA GLU 95 -6.099 19.086 1.488 736 HB2 GLU 95 2HB GLU 95 -7.717 19.605 3.246 737 HB3 GLU 95 3HB GLU 95 -7.892 20.715 1.895 738 HG2 GLU 95 2HG GLU 95 -9.874 19.481 1.109 739 HG3 GLU 95 3HG GLU 95 -9.697 18.333 2.435 740 H ARG 96 H ARG 96 -7.742 16.769 -0.072 741 HA ARG 96 HA ARG 96 -8.228 14.694 1.711 742 HB2 ARG 96 2HB ARG 96 -7.795 13.202 -0.238 743 HB3 ARG 96 3HB ARG 96 -8.773 14.592 -0.696 744 HG2 ARG 96 2HG ARG 96 -6.833 15.686 -1.712 745 HG3 ARG 96 3HG ARG 96 -5.778 14.380 -1.166 746 HD2 ARG 96 2HD ARG 96 -6.344 14.190 -3.555 747 HD3 ARG 96 3HD ARG 96 -6.915 12.799 -2.631 748 HE ARG 96 HE ARG 96 -8.960 14.752 -2.853 749 HH11 ARG 96 1HH1 ARG 96 -7.311 12.335 -4.799 750 HH12 ARG 96 2HH1 ARG 96 -8.662 12.079 -5.848 751 HH21 ARG 96 1HH2 ARG 96 -10.741 14.378 -4.211 752 HH22 ARG 96 2HH2 ARG 96 -10.611 13.242 -5.513 753 H ASP 97 H ASP 97 -6.872 12.685 1.865 754 HA ASP 97 HA ASP 97 -4.103 13.256 2.628 755 HB2 ASP 97 2HB ASP 97 -5.596 10.595 2.657 756 HB3 ASP 97 3HB ASP 97 -4.057 10.946 3.440 757 H ASP 98 H ASP 98 -2.516 13.117 1.092 758 HA ASP 98 HA ASP 98 -2.691 10.897 -0.874 759 HB2 ASP 98 2HB ASP 98 -2.762 13.024 -2.130 760 HB3 ASP 98 3HB ASP 98 -1.280 13.568 -1.340 761 H THR 99 H THR 99 -1.478 9.374 -0.139 762 HA THR 99 HA THR 99 1.049 9.925 1.288 763 HB THR 99 HB THR 99 -1.128 7.855 1.843 764 HG1 THR 99 HG1 THR 99 -1.292 10.089 2.641 765 HG21 THR 99 3HG2 THR 99 1.604 8.127 3.134 766 HG22 THR 99 1HG2 THR 99 1.036 6.761 2.172 767 HG23 THR 99 2HG2 THR 99 0.299 7.107 3.737 768 H GLU 100 H GLU 100 2.640 9.307 -0.034 769 HA GLU 100 HA GLU 100 2.311 7.027 -1.875 770 HB2 GLU 100 2HB GLU 100 2.918 9.057 -3.054 771 HB3 GLU 100 3HB GLU 100 4.253 9.386 -1.949 772 HG2 GLU 100 2HG GLU 100 5.451 7.406 -2.772 773 HG3 GLU 100 3HG GLU 100 4.097 6.980 -3.811 774 H PHE 101 H PHE 101 3.056 5.201 -0.993 775 HA PHE 101 HA PHE 101 5.461 5.208 0.705 776 HB2 PHE 101 2HB PHE 101 3.533 2.962 -0.040 777 HB3 PHE 101 3HB PHE 101 4.946 2.758 0.986 778 HD1 PHE 101 HD1 PHE 101 5.042 4.111 3.185 779 HD2 PHE 101 HD2 PHE 101 1.441 3.594 0.920 780 HE1 PHE 101 HE1 PHE 101 3.701 4.631 5.184 781 HE2 PHE 101 HE2 PHE 101 0.112 4.117 2.927 782 HZ PHE 101 HZ PHE 101 1.240 4.638 5.056 783 H GLN 102 H GLN 102 7.364 4.903 -0.210 784 HA GLN 102 HA GLN 102 7.604 3.578 -2.859 785 HB2 GLN 102 2HB GLN 102 9.502 5.078 -3.352 786 HB3 GLN 102 3HB GLN 102 8.038 6.007 -3.056 787 HG2 GLN 102 2HG GLN 102 8.835 6.550 -0.781 788 HG3 GLN 102 3HG GLN 102 10.289 5.589 -1.069 789 HE21 GLN 102 1HE2 GLN 102 11.681 7.301 -0.778 790 HE22 GLN 102 2HE2 GLN 102 11.813 8.620 -1.881 791 H HIS 103 H HIS 103 9.325 2.145 -3.095 792 HA HIS 103 HA HIS 103 11.257 1.722 -0.955 793 HB2 HIS 103 2HB HIS 103 9.134 0.495 -0.236 794 HB3 HIS 103 3HB HIS 103 9.307 -0.533 -1.647 795 HD1 HIS 103 HD1 HIS 103 10.902 -2.528 -1.409 796 HD2 HIS 103 HD2 HIS 103 11.203 0.213 1.686 797 HE1 HIS 103 HE1 HIS 103 12.395 -3.584 0.314 798 HE2 HIS 103 HE2 HIS 103 12.615 -1.879 2.130 799 HA PRO 104 HA PRO 104 13.589 0.847 -4.710 800 HB2 PRO 104 2HB PRO 104 15.822 -0.386 -3.627 801 HB3 PRO 104 3HB PRO 104 15.532 1.360 -3.517 802 HG2 PRO 104 2HG PRO 104 14.942 -0.764 -1.467 803 HG3 PRO 104 3HG PRO 104 15.740 0.816 -1.247 804 HD2 PRO 104 2HD PRO 104 13.154 0.486 -0.617 805 HD3 PRO 104 3HD PRO 104 13.711 2.000 -1.371 806 H CYS 105 H CYS 105 13.066 -1.791 -2.387 807 HA CYS 105 HA CYS 105 13.507 -3.896 -4.370 808 HB2 CYS 105 2HB CYS 105 12.499 -4.372 -1.549 809 HB3 CYS 105 3HB CYS 105 13.482 -5.427 -2.560 810 HG CYS 105 HG CYS 105 15.840 -4.101 -2.194 811 H PHE 106 H PHE 106 11.031 -1.861 -3.873 812 HA PHE 106 HA PHE 106 8.905 -3.820 -4.531 813 HB2 PHE 106 2HB PHE 106 8.391 -2.509 -2.484 814 HB3 PHE 106 3HB PHE 106 8.658 -1.009 -3.362 815 HD1 PHE 106 HD1 PHE 106 6.409 -3.959 -3.083 816 HD2 PHE 106 HD2 PHE 106 6.873 -0.013 -4.669 817 HE1 PHE 106 HE1 PHE 106 4.023 -3.917 -3.689 818 HE2 PHE 106 HE2 PHE 106 4.487 0.021 -5.274 819 HZ PHE 106 HZ PHE 106 3.062 -1.929 -4.784 820 H LEU 107 H LEU 107 9.138 -3.908 -6.720 821 HA LEU 107 HA LEU 107 8.606 -1.432 -8.264 822 HB2 LEU 107 2HB LEU 107 9.971 -3.986 -9.219 823 HB3 LEU 107 3HB LEU 107 9.726 -2.542 -10.179 824 HG LEU 107 HG LEU 107 11.466 -2.593 -7.678 825 HD11 LEU 107 1HD1 LEU 107 13.442 -2.721 -9.128 826 HD12 LEU 107 2HD1 LEU 107 12.404 -2.930 -10.541 827 HD13 LEU 107 3HD1 LEU 107 12.433 -4.159 -9.277 828 HD21 LEU 107 3HD2 LEU 107 12.407 -0.507 -8.572 829 HD22 LEU 107 1HD2 LEU 107 10.670 -0.373 -8.293 830 HD23 LEU 107 2HD2 LEU 107 11.288 -0.578 -9.934 831 H ARG 108 H ARG 108 7.295 -2.063 -10.335 832 HA ARG 108 HA ARG 108 4.777 -2.934 -9.459 833 HB2 ARG 108 2HB ARG 108 5.146 -1.306 -11.337 834 HB3 ARG 108 3HB ARG 108 5.751 -2.627 -12.326 835 HG2 ARG 108 2HG ARG 108 3.343 -3.681 -11.748 836 HG3 ARG 108 3HG ARG 108 2.924 -1.982 -11.542 837 HD2 ARG 108 2HD ARG 108 2.415 -2.795 -13.808 838 HD3 ARG 108 3HD ARG 108 3.636 -1.520 -13.852 839 HE ARG 108 HE ARG 108 5.197 -3.043 -14.582 840 HH11 ARG 108 1HH1 ARG 108 2.294 -4.856 -13.667 841 HH12 ARG 108 2HH1 ARG 108 2.870 -6.329 -14.388 842 HH21 ARG 108 1HH2 ARG 108 5.913 -4.999 -15.460 843 HH22 ARG 108 2HH2 ARG 108 4.891 -6.402 -15.390 844 H GLY 109 H GLY 109 6.354 -4.465 -12.296 845 HA2 GLY 109 2HA GLY 109 5.125 -7.041 -11.675 846 HA3 GLY 109 3HA GLY 109 6.027 -6.613 -13.125 847 H GLN 110 H GLN 110 6.590 -6.905 -9.619 848 HA GLN 110 HA GLN 110 9.037 -8.453 -9.989 849 HB2 GLN 110 2HB GLN 110 9.401 -5.802 -10.194 850 HB3 GLN 110 3HB GLN 110 9.255 -5.838 -8.446 851 HG2 GLN 110 2HG GLN 110 11.578 -5.858 -8.980 852 HG3 GLN 110 3HG GLN 110 11.176 -7.478 -8.408 853 HE21 GLN 110 1HE2 GLN 110 11.992 -5.544 -11.224 854 HE22 GLN 110 2HE2 GLN 110 12.419 -6.866 -12.250 855 H GLU 111 H GLU 111 6.510 -9.005 -8.870 856 HA GLU 111 HA GLU 111 6.223 -8.547 -6.096 857 HB2 GLU 111 2HB GLU 111 4.452 -10.309 -6.216 858 HB3 GLU 111 3HB GLU 111 4.298 -9.082 -7.470 859 HG2 GLU 111 2HG GLU 111 5.321 -10.610 -9.106 860 HG3 GLU 111 3HG GLU 111 5.503 -11.833 -7.856 861 H GLN 112 H GLN 112 8.122 -10.945 -7.788 862 HA GLN 112 HA GLN 112 8.340 -12.809 -5.627 863 HB2 GLN 112 2HB GLN 112 9.888 -14.026 -6.890 864 HB3 GLN 112 3HB GLN 112 8.897 -13.262 -8.115 865 HG2 GLN 112 2HG GLN 112 11.656 -12.350 -7.263 866 HG3 GLN 112 3HG GLN 112 11.287 -13.295 -8.696 867 HE21 GLN 112 1HE2 GLN 112 11.221 -10.138 -7.271 868 HE22 GLN 112 2HE2 GLN 112 10.825 -9.284 -8.712 869 H LEU 113 H LEU 113 9.618 -9.690 -5.921 870 HA LEU 113 HA LEU 113 11.882 -10.119 -4.116 871 HB2 LEU 113 2HB LEU 113 10.771 -7.632 -5.462 872 HB3 LEU 113 3HB LEU 113 11.931 -7.494 -4.153 873 HG LEU 113 HG LEU 113 12.398 -8.719 -6.898 874 HD11 LEU 113 1HD1 LEU 113 12.534 -6.270 -6.825 875 HD12 LEU 113 2HD1 LEU 113 14.127 -6.965 -7.104 876 HD13 LEU 113 3HD1 LEU 113 13.706 -6.344 -5.504 877 HD21 LEU 113 3HD2 LEU 113 14.711 -9.228 -6.152 878 HD22 LEU 113 1HD2 LEU 113 13.494 -10.176 -5.295 879 HD23 LEU 113 2HD2 LEU 113 14.259 -8.799 -4.500 880 H LEU 114 H LEU 114 8.499 -9.523 -3.796 881 HA LEU 114 HA LEU 114 8.402 -7.989 -1.422 882 HB2 LEU 114 2HB LEU 114 6.436 -10.056 -2.488 883 HB3 LEU 114 3HB LEU 114 6.089 -8.974 -1.148 884 HG LEU 114 HG LEU 114 6.633 -8.103 -4.016 885 HD11 LEU 114 1HD1 LEU 114 4.255 -7.507 -4.111 886 HD12 LEU 114 2HD1 LEU 114 4.010 -8.154 -2.487 887 HD13 LEU 114 3HD1 LEU 114 4.472 -9.230 -3.806 888 HD21 LEU 114 3HD2 LEU 114 5.983 -5.846 -3.269 889 HD22 LEU 114 1HD2 LEU 114 7.422 -6.420 -2.429 890 HD23 LEU 114 2HD2 LEU 114 5.862 -6.423 -1.605 891 H GLU 115 H GLU 115 8.747 -11.441 -1.968 892 HA GLU 115 HA GLU 115 8.573 -12.280 0.772 893 HB2 GLU 115 2HB GLU 115 9.400 -14.448 -0.074 894 HB3 GLU 115 3HB GLU 115 8.069 -13.818 -1.031 895 HG2 GLU 115 2HG GLU 115 9.734 -13.020 -2.730 896 HG3 GLU 115 3HG GLU 115 11.000 -13.818 -1.791 897 H ASN 116 H ASN 116 11.027 -10.766 -1.020 898 HA ASN 116 HA ASN 116 13.238 -11.670 0.714 899 HB2 ASN 116 2HB ASN 116 13.253 -9.960 -1.811 900 HB3 ASN 116 3HB ASN 116 14.686 -10.442 -0.914 901 HD21 ASN 116 1HD2 ASN 116 12.135 -11.552 -3.004 902 HD22 ASN 116 2HD2 ASN 116 12.867 -13.050 -3.426 903 H ILE 117 H ILE 117 10.897 -9.243 0.565 904 HA ILE 117 HA ILE 117 12.486 -7.187 1.941 905 HB ILE 117 HB ILE 117 9.476 -7.219 1.336 906 HG12 ILE 117 2HG1 ILE 117 11.665 -5.715 -0.180 907 HG13 ILE 117 3HG1 ILE 117 10.824 -7.142 -0.761 908 HG21 ILE 117 1HG2 ILE 117 10.040 -5.773 3.250 909 HG22 ILE 117 2HG2 ILE 117 9.506 -4.810 1.875 910 HG23 ILE 117 3HG2 ILE 117 11.223 -4.906 2.266 911 HD11 ILE 117 3HD1 ILE 117 9.939 -5.165 -1.804 912 HD12 ILE 117 1HD1 ILE 117 9.571 -4.451 -0.232 913 HD13 ILE 117 2HD1 ILE 117 8.712 -5.897 -0.771 914 H LYS 118 H LYS 118 12.400 -6.930 4.178 915 HA LYS 118 HA LYS 118 11.110 -9.129 5.679 916 HB2 LYS 118 2HB LYS 118 13.557 -7.494 6.492 917 HB3 LYS 118 3HB LYS 118 12.897 -8.882 7.346 918 HG2 LYS 118 2HG LYS 118 14.248 -8.886 4.648 919 HG3 LYS 118 3HG LYS 118 14.873 -9.557 6.156 920 HD2 LYS 118 2HD LYS 118 12.951 -11.181 6.164 921 HD3 LYS 118 3HD LYS 118 12.466 -10.548 4.585 922 HE2 LYS 118 2HE LYS 118 15.075 -11.907 5.245 923 HE3 LYS 118 3HE LYS 118 13.744 -12.599 4.327 924 HZ1 LYS 118 3HZ LYS 118 15.410 -11.858 2.823 925 HZ2 LYS 118 1HZ LYS 118 15.463 -10.321 3.529 926 HZ3 LYS 118 2HZ LYS 118 14.091 -10.814 2.684 927 H ARG 119 H ARG 119 9.820 -8.658 7.358 928 HA ARG 119 HA ARG 119 9.214 -5.880 8.110 929 HB2 ARG 119 2HB ARG 119 7.395 -6.926 9.498 930 HB3 ARG 119 3HB ARG 119 7.271 -7.290 7.783 931 HG2 ARG 119 2HG ARG 119 8.058 -9.542 8.111 932 HG3 ARG 119 3HG ARG 119 8.490 -9.208 9.792 933 HD2 ARG 119 2HD ARG 119 5.662 -9.148 8.673 934 HD3 ARG 119 3HD ARG 119 6.364 -10.484 9.593 935 HE ARG 119 HE ARG 119 6.718 -8.373 11.237 936 HH11 ARG 119 1HH1 ARG 119 3.805 -9.611 9.654 937 HH12 ARG 119 2HH1 ARG 119 2.761 -9.023 10.915 938 HH21 ARG 119 1HH2 ARG 119 5.367 -7.629 12.830 939 HH22 ARG 119 2HH2 ARG 119 3.647 -7.895 12.722 940 H LYS 120 H LYS 120 11.653 -7.752 8.846 941 HA LYS 120 HA LYS 120 11.538 -7.654 11.793 942 HB2 LYS 120 2HB LYS 120 13.362 -9.311 9.980 943 HB3 LYS 120 3HB LYS 120 13.258 -9.434 11.734 944 HG2 LYS 120 2HG LYS 120 10.870 -10.182 11.500 945 HG3 LYS 120 3HG LYS 120 11.056 -10.139 9.752 946 HD2 LYS 120 2HD LYS 120 12.545 -11.967 11.671 947 HD3 LYS 120 3HD LYS 120 11.230 -12.437 10.603 948 HE2 LYS 120 2HE LYS 120 13.050 -13.186 9.384 949 HE3 LYS 120 3HE LYS 120 12.894 -11.567 8.704 950 HZ1 LYS 120 3HZ LYS 120 14.620 -10.842 10.315 951 HZ2 LYS 120 1HZ LYS 120 15.185 -12.009 9.231 952 HZ3 LYS 120 2HZ LYS 120 14.803 -12.441 10.819 953 H VAL 121 H VAL 121 14.288 -7.834 12.313 954 HA VAL 121 HA VAL 121 14.759 -5.110 12.705 955 HB VAL 121 HB VAL 121 15.464 -6.967 14.226 956 HG11 VAL 121 1HG1 VAL 121 16.391 -8.517 12.586 957 HG12 VAL 121 2HG1 VAL 121 17.561 -8.173 13.860 958 HG13 VAL 121 3HG1 VAL 121 17.740 -7.418 12.275 959 HG21 VAL 121 3HG2 VAL 121 17.711 -5.038 13.521 960 HG22 VAL 121 1HG2 VAL 121 17.544 -5.916 15.046 961 HG23 VAL 121 2HG2 VAL 121 16.349 -4.703 14.588 962 H THR 122 H THR 122 15.881 -7.123 10.047 963 HA THR 122 HA THR 122 17.871 -5.204 9.125 964 HB THR 122 HB THR 122 17.955 -6.689 7.056 965 HG1 THR 122 HG1 THR 122 15.914 -7.592 7.080 966 HG21 THR 122 3HG2 THR 122 19.523 -7.081 8.928 967 HG22 THR 122 1HG2 THR 122 19.049 -8.604 8.171 968 HG23 THR 122 2HG2 THR 122 18.333 -8.123 9.709 969 H SER 123 H SER 123 16.392 -3.410 9.227 970 HA SER 123 HA SER 123 15.232 -2.586 6.777 971 HB2 SER 123 2HB SER 123 13.397 -4.130 7.515 972 HB3 SER 123 3HB SER 123 13.254 -3.233 9.022 973 HG SER 123 HG SER 123 11.816 -2.762 7.070 974 H VAL 124 H VAL 124 13.966 -0.417 7.210 975 HA VAL 124 HA VAL 124 14.514 1.084 9.576 976 HB VAL 124 HB VAL 124 16.810 1.135 8.685 977 HG11 VAL 124 1HG1 VAL 124 17.409 2.172 6.533 978 HG12 VAL 124 2HG1 VAL 124 15.700 2.383 6.147 979 HG13 VAL 124 3HG1 VAL 124 16.372 0.760 6.305 980 HG21 VAL 124 3HG2 VAL 124 17.195 3.571 8.657 981 HG22 VAL 124 1HG2 VAL 124 16.015 3.125 9.892 982 HG23 VAL 124 2HG2 VAL 124 15.476 3.853 8.377 983 H SER 125 H SER 125 13.056 2.736 9.705 984 HA SER 125 HA SER 125 12.139 4.326 7.521 985 HB2 SER 125 2HB SER 125 10.781 2.233 7.109 986 HB3 SER 125 3HB SER 125 10.069 2.399 8.714 987 HG SER 125 HG SER 125 9.621 3.833 6.378
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