NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569949 | 2m1h | 18474 | 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 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.552 -0.972 -1.348 3 HB2 MET 1 2HB MET 1 0.437 0.992 -2.162 4 HB3 MET 1 3HB MET 1 1.755 0.613 -3.263 5 HG2 MET 1 2HG MET 1 0.922 -1.869 -2.491 6 HG3 MET 1 3HG MET 1 -0.586 -0.959 -2.519 7 HE1 MET 1 3HE MET 1 -1.382 -0.066 -5.883 8 HE2 MET 1 1HE MET 1 -1.913 -1.602 -5.197 9 HE3 MET 1 2HE MET 1 -1.740 -0.186 -4.160 10 H LEU 2 H LEU 2 3.959 0.255 0.452 11 HA LEU 2 HA LEU 2 4.830 2.868 -0.481 12 HB2 LEU 2 2HB LEU 2 5.062 1.303 1.972 13 HB3 LEU 2 3HB LEU 2 6.554 2.129 1.526 14 HG LEU 2 HG LEU 2 3.982 3.653 1.633 15 HD11 LEU 2 1HD1 LEU 2 5.674 2.807 3.969 16 HD12 LEU 2 2HD1 LEU 2 3.936 2.612 3.751 17 HD13 LEU 2 3HD1 LEU 2 4.617 4.218 4.010 18 HD21 LEU 2 3HD2 LEU 2 5.360 5.324 1.161 19 HD22 LEU 2 1HD2 LEU 2 6.739 4.225 1.194 20 HD23 LEU 2 2HD2 LEU 2 6.219 5.032 2.674 21 H GLN 3 H GLN 3 7.300 3.202 -0.476 22 HA GLN 3 HA GLN 3 8.388 1.438 -2.467 23 HB2 GLN 3 2HB GLN 3 9.811 3.698 -1.065 24 HB3 GLN 3 3HB GLN 3 10.196 2.996 -2.631 25 HG2 GLN 3 2HG GLN 3 7.749 3.788 -3.202 26 HG3 GLN 3 3HG GLN 3 8.060 4.915 -1.882 27 HE21 GLN 3 1HE2 GLN 3 8.746 4.071 -5.134 28 HE22 GLN 3 2HE2 GLN 3 9.763 5.417 -5.504 29 H GLU 4 H GLU 4 10.991 1.169 -2.052 30 HA GLU 4 HA GLU 4 11.186 -0.965 -0.235 31 HB2 GLU 4 2HB GLU 4 12.656 -0.279 -2.317 32 HB3 GLU 4 3HB GLU 4 13.627 0.529 -1.095 33 HG2 GLU 4 2HG GLU 4 12.910 -2.239 -0.455 34 HG3 GLU 4 3HG GLU 4 13.941 -2.045 -1.872 35 H ARG 5 H ARG 5 12.162 2.424 0.008 36 HA ARG 5 HA ARG 5 13.016 1.984 2.777 37 HB2 ARG 5 2HB ARG 5 13.857 3.742 0.660 38 HB3 ARG 5 3HB ARG 5 13.380 4.688 2.063 39 HG2 ARG 5 2HG ARG 5 15.359 2.421 2.113 40 HG3 ARG 5 3HG ARG 5 15.779 4.133 2.033 41 HD2 ARG 5 2HD ARG 5 14.324 4.343 4.161 42 HD3 ARG 5 3HD ARG 5 14.528 2.595 4.277 43 HE ARG 5 HE ARG 5 16.661 2.947 5.000 44 HH11 ARG 5 1HH1 ARG 5 15.555 5.812 3.360 45 HH12 ARG 5 2HH1 ARG 5 16.964 6.740 3.754 46 HH21 ARG 5 1HH2 ARG 5 18.521 4.159 5.526 47 HH22 ARG 5 2HH2 ARG 5 18.651 5.798 4.986 48 H VAL 6 H VAL 6 12.443 3.819 4.316 49 HA VAL 6 HA VAL 6 9.585 4.450 3.989 50 HB VAL 6 HB VAL 6 11.144 4.265 6.569 51 HG11 VAL 6 1HG1 VAL 6 8.376 5.020 5.864 52 HG12 VAL 6 2HG1 VAL 6 8.574 3.978 7.274 53 HG13 VAL 6 3HG1 VAL 6 9.388 5.542 7.210 54 HG21 VAL 6 3HG2 VAL 6 10.909 2.058 6.480 55 HG22 VAL 6 1HG2 VAL 6 9.160 2.252 6.366 56 HG23 VAL 6 2HG2 VAL 6 10.138 2.191 4.900 57 H PHE 7 H PHE 7 8.820 6.501 4.505 58 HA PHE 7 HA PHE 7 10.883 8.592 4.528 59 HB2 PHE 7 2HB PHE 7 8.242 8.329 3.263 60 HB3 PHE 7 3HB PHE 7 8.535 9.898 4.005 61 HD1 PHE 7 HD2 PHE 7 10.373 7.444 1.873 62 HD2 PHE 7 HD1 PHE 7 9.410 11.517 2.649 63 HE1 PHE 7 HE2 PHE 7 11.683 8.125 -0.095 64 HE2 PHE 7 HE1 PHE 7 10.718 12.204 0.681 65 HZ PHE 7 HZ PHE 7 11.857 10.508 -0.693 66 H HIS 8 H HIS 8 11.121 9.885 6.236 67 HA HIS 8 HA HIS 8 8.962 9.979 8.236 68 HB2 HIS 8 2HB HIS 8 11.014 8.532 8.834 69 HB3 HIS 8 3HB HIS 8 11.872 10.061 9.001 70 HD1 HIS 8 HD1 HIS 8 8.323 9.436 10.140 71 HD2 HIS 8 HD2 HIS 8 12.102 10.100 11.732 72 HE1 HIS 8 HE1 HIS 8 7.967 9.739 12.611 73 H ILE 9 H ILE 9 9.209 11.867 9.749 74 HA ILE 9 HA ILE 9 9.197 14.266 8.345 75 HB ILE 9 HB ILE 9 8.090 14.095 10.480 76 HG12 ILE 9 2HG1 ILE 9 10.305 16.039 11.031 77 HG13 ILE 9 3HG1 ILE 9 9.253 16.289 9.642 78 HG21 ILE 9 1HG2 ILE 9 10.811 13.910 11.763 79 HG22 ILE 9 2HG2 ILE 9 9.244 13.846 12.568 80 HG23 ILE 9 3HG2 ILE 9 9.739 12.535 11.498 81 HD11 ILE 9 3HD1 ILE 9 8.643 17.480 11.793 82 HD12 ILE 9 1HD1 ILE 9 7.362 16.572 10.991 83 HD13 ILE 9 2HD1 ILE 9 8.168 15.897 12.407 84 H ASN 10 H ASN 10 11.794 12.742 10.197 85 HA ASN 10 HA ASN 10 13.619 14.892 10.039 86 HB2 ASN 10 2HB ASN 10 14.312 11.958 10.253 87 HB3 ASN 10 3HB ASN 10 15.287 13.326 10.783 88 HD21 ASN 10 1HD2 ASN 10 13.406 14.861 12.057 89 HD22 ASN 10 2HD2 ASN 10 12.829 14.023 13.454 90 H ASP 11 H ASP 11 13.234 11.962 8.066 91 HA ASP 11 HA ASP 11 14.130 11.358 6.052 92 HB2 ASP 11 2HB ASP 11 12.532 13.457 5.670 93 HB3 ASP 11 3HB ASP 11 14.042 14.193 5.140 94 H ARG 12 H ARG 12 16.226 10.816 6.690 95 HA ARG 12 HA ARG 12 18.300 12.800 6.834 96 HB2 ARG 12 2HB ARG 12 19.803 10.801 7.043 97 HB3 ARG 12 3HB ARG 12 18.525 10.886 8.248 98 HG2 ARG 12 2HG ARG 12 17.729 8.911 7.641 99 HG3 ARG 12 3HG ARG 12 17.647 9.401 5.947 100 HD2 ARG 12 2HD ARG 12 19.560 8.351 5.430 101 HD3 ARG 12 3HD ARG 12 20.360 8.882 6.908 102 HE ARG 12 HE ARG 12 18.428 6.872 7.451 103 HH11 ARG 12 1HH1 ARG 12 21.633 7.366 6.184 104 HH12 ARG 12 2HH1 ARG 12 22.186 5.779 6.607 105 HH21 ARG 12 1HH2 ARG 12 19.144 4.781 8.013 106 HH22 ARG 12 2HH2 ARG 12 20.769 4.310 7.647 107 H VAL 13 H VAL 13 18.862 13.795 4.998 108 HA VAL 13 HA VAL 13 19.829 12.149 2.789 109 HB VAL 13 HB VAL 13 18.714 13.749 1.156 110 HG11 VAL 13 1HG1 VAL 13 17.180 11.742 2.781 111 HG12 VAL 13 2HG1 VAL 13 16.481 12.535 1.368 112 HG13 VAL 13 3HG1 VAL 13 17.926 11.538 1.196 113 HG21 VAL 13 3HG2 VAL 13 16.757 14.241 3.377 114 HG22 VAL 13 1HG2 VAL 13 18.098 15.344 3.067 115 HG23 VAL 13 2HG2 VAL 13 16.889 15.054 1.817 116 H TRP 14 H TRP 14 20.864 13.648 1.074 117 HA TRP 14 HA TRP 14 22.318 15.792 2.481 118 HB2 TRP 14 2HB TRP 14 23.440 13.501 1.556 119 HB3 TRP 14 3HB TRP 14 23.616 14.535 0.141 120 HD1 TRP 14 HD1 TRP 14 23.936 17.091 2.462 121 HE1 TRP 14 HE1 TRP 14 26.343 17.461 3.297 122 HE3 TRP 14 HE3 TRP 14 25.974 12.613 1.072 123 HZ2 TRP 14 HZ2 TRP 14 28.782 16.042 3.357 124 HZ3 TRP 14 HZ3 TRP 14 28.351 12.199 1.554 125 HH2 TRP 14 HH2 TRP 14 29.724 13.879 2.672 126 H LEU 15 H LEU 15 22.363 17.759 1.565 127 HA LEU 15 HA LEU 15 21.207 18.027 -1.132 128 HB2 LEU 15 2HB LEU 15 19.919 18.958 0.851 129 HB3 LEU 15 3HB LEU 15 21.206 20.153 0.993 130 HG LEU 15 HG LEU 15 19.939 19.932 -1.665 131 HD11 LEU 15 1HD1 LEU 15 18.131 19.739 0.221 132 HD12 LEU 15 2HD1 LEU 15 17.891 20.822 -1.150 133 HD13 LEU 15 3HD1 LEU 15 18.436 21.467 0.398 134 HD21 LEU 15 3HD2 LEU 15 21.333 21.881 -0.002 135 HD22 LEU 15 1HD2 LEU 15 19.933 22.547 -0.843 136 HD23 LEU 15 2HD2 LEU 15 21.220 21.761 -1.758 137 H LYS 16 H LYS 16 22.383 19.005 -2.660 138 HA LYS 16 HA LYS 16 25.046 19.949 -1.949 139 HB2 LYS 16 2HB LYS 16 23.956 18.567 -4.151 140 HB3 LYS 16 3HB LYS 16 24.456 20.138 -4.762 141 HG2 LYS 16 2HG LYS 16 26.249 18.339 -3.152 142 HG3 LYS 16 3HG LYS 16 26.178 18.331 -4.916 143 HD2 LYS 16 2HD LYS 16 27.653 19.994 -4.939 144 HD3 LYS 16 3HD LYS 16 26.459 21.022 -4.144 145 HE2 LYS 16 2HE LYS 16 28.240 21.155 -2.685 146 HE3 LYS 16 3HE LYS 16 27.293 19.848 -1.976 147 HZ1 LYS 16 3HZ LYS 16 29.688 19.355 -2.116 148 HZ2 LYS 16 1HZ LYS 16 29.599 19.447 -3.803 149 HZ3 LYS 16 2HZ LYS 16 28.745 18.244 -2.975 150 H THR 17 H THR 17 25.535 22.026 -1.743 151 HA THR 17 HA THR 17 23.573 24.035 -2.536 152 HB THR 17 HB THR 17 26.115 24.781 -1.164 153 HG1 THR 17 HG1 THR 17 25.531 23.871 0.707 154 HG21 THR 17 3HG2 THR 17 23.603 25.975 -1.720 155 HG22 THR 17 1HG2 THR 17 24.981 26.674 -0.871 156 HG23 THR 17 2HG2 THR 17 23.739 25.804 0.030 157 H GLY 18 H GLY 18 26.684 22.829 -3.461 158 HA2 GLY 18 2HA GLY 18 26.662 24.439 -5.843 159 HA3 GLY 18 3HA GLY 18 27.923 24.912 -4.714 160 H ALA 19 H ALA 19 29.725 23.645 -4.473 161 HA ALA 19 HA ALA 19 29.842 21.176 -6.071 162 HB1 ALA 19 1HB ALA 19 32.402 22.299 -6.180 163 HB2 ALA 19 2HB ALA 19 31.239 22.145 -7.499 164 HB3 ALA 19 3HB ALA 19 31.285 23.619 -6.532 165 H ASN 20 H ASN 20 31.235 23.101 -3.455 166 HA ASN 20 HA ASN 20 32.184 20.597 -2.228 167 HB2 ASN 20 2HB ASN 20 33.642 23.046 -2.832 168 HB3 ASN 20 3HB ASN 20 33.748 22.614 -1.128 169 HD21 ASN 20 1HD2 ASN 20 35.592 22.507 -3.570 170 HD22 ASN 20 2HD2 ASN 20 36.285 20.927 -3.478 171 H THR 21 H THR 21 29.756 22.530 -2.006 172 HA THR 21 HA THR 21 29.804 22.656 0.937 173 HB THR 21 HB THR 21 27.969 24.588 -0.159 174 HG1 THR 21 HG1 THR 21 30.700 25.037 -0.828 175 HG21 THR 21 3HG2 THR 21 28.877 24.561 2.135 176 HG22 THR 21 1HG2 THR 21 29.162 26.100 1.323 177 HG23 THR 21 2HG2 THR 21 30.475 24.934 1.491 178 H TRP 22 H TRP 22 28.294 21.422 1.826 179 HA TRP 22 HA TRP 22 25.747 21.048 0.409 180 HB2 TRP 22 2HB TRP 22 25.863 18.650 1.464 181 HB3 TRP 22 3HB TRP 22 26.694 18.986 -0.053 182 HD1 TRP 22 HD1 TRP 22 27.801 19.463 3.648 183 HE1 TRP 22 HE1 TRP 22 30.121 18.381 3.916 184 HE3 TRP 22 HE3 TRP 22 28.415 17.673 -1.101 185 HZ2 TRP 22 HZ2 TRP 22 31.967 16.957 2.325 186 HZ3 TRP 22 HZ3 TRP 22 30.487 16.463 -1.646 187 HH2 TRP 22 HH2 TRP 22 32.225 16.114 0.033 188 H TRP 23 H TRP 23 23.942 20.557 1.759 189 HA TRP 23 HA TRP 23 24.350 20.943 4.635 190 HB2 TRP 23 2HB TRP 23 23.220 22.887 2.861 191 HB3 TRP 23 3HB TRP 23 21.960 22.309 3.948 192 HD1 TRP 23 HD1 TRP 23 25.699 23.137 4.634 193 HE1 TRP 23 HE1 TRP 23 25.789 24.758 6.631 194 HE3 TRP 23 HE3 TRP 23 20.683 23.690 5.457 195 HZ2 TRP 23 HZ2 TRP 23 23.974 26.094 8.331 196 HZ3 TRP 23 HZ3 TRP 23 19.944 25.158 7.289 197 HH2 TRP 23 HH2 TRP 23 21.556 26.333 8.695 198 HA PRO 24 HA PRO 24 21.425 17.694 5.058 199 HB2 PRO 24 2HB PRO 24 20.371 18.288 7.488 200 HB3 PRO 24 3HB PRO 24 22.002 17.640 7.281 201 HG2 PRO 24 2HG PRO 24 21.129 20.471 7.711 202 HG3 PRO 24 3HG PRO 24 22.487 19.596 8.442 203 HD2 PRO 24 2HD PRO 24 22.807 21.319 6.379 204 HD3 PRO 24 3HD PRO 24 23.834 19.887 6.594 205 H ALA 25 H ALA 25 19.344 17.269 4.531 206 HA ALA 25 HA ALA 25 17.425 19.505 4.590 207 HB1 ALA 25 1HB ALA 25 17.954 17.549 2.370 208 HB2 ALA 25 2HB ALA 25 16.460 18.480 2.479 209 HB3 ALA 25 3HB ALA 25 18.007 19.311 2.316 210 H LYS 26 H LYS 26 15.472 19.069 5.432 211 HA LYS 26 HA LYS 26 14.764 16.252 5.913 212 HB2 LYS 26 2HB LYS 26 13.908 16.817 8.102 213 HB3 LYS 26 3HB LYS 26 15.585 17.334 7.989 214 HG2 LYS 26 2HG LYS 26 14.811 19.245 8.856 215 HG3 LYS 26 3HG LYS 26 14.304 19.585 7.200 216 HD2 LYS 26 2HD LYS 26 12.172 19.608 7.827 217 HD3 LYS 26 3HD LYS 26 12.318 17.974 8.478 218 HE2 LYS 26 2HE LYS 26 12.858 18.747 10.613 219 HE3 LYS 26 3HE LYS 26 13.303 20.347 10.022 220 HZ1 LYS 26 3HZ LYS 26 10.675 20.056 9.321 221 HZ2 LYS 26 1HZ LYS 26 11.271 20.970 10.614 222 HZ3 LYS 26 2HZ LYS 26 10.759 19.378 10.869 223 H VAL 27 H VAL 27 12.789 15.688 5.253 224 HA VAL 27 HA VAL 27 11.047 17.745 4.157 225 HB VAL 27 HB VAL 27 10.652 14.753 4.098 226 HG11 VAL 27 1HG1 VAL 27 9.543 15.974 1.844 227 HG12 VAL 27 2HG1 VAL 27 8.680 15.285 3.220 228 HG13 VAL 27 3HG1 VAL 27 9.090 17.000 3.204 229 HG21 VAL 27 3HG2 VAL 27 11.438 15.391 1.592 230 HG22 VAL 27 1HG2 VAL 27 12.418 16.515 2.536 231 HG23 VAL 27 2HG2 VAL 27 12.524 14.781 2.841 232 H THR 28 H THR 28 9.420 18.582 5.268 233 HA THR 28 HA THR 28 8.594 17.404 7.777 234 HB THR 28 HB THR 28 8.833 19.799 7.739 235 HG1 THR 28 HG1 THR 28 6.570 20.355 8.289 236 HG21 THR 28 3HG2 THR 28 8.528 20.398 5.480 237 HG22 THR 28 1HG2 THR 28 7.178 21.143 6.334 238 HG23 THR 28 2HG2 THR 28 6.928 19.659 5.414 239 H SER 29 H SER 29 7.742 16.915 4.623 240 HA SER 29 HA SER 29 6.013 15.847 3.602 241 HB2 SER 29 2HB SER 29 6.256 14.531 5.902 242 HB3 SER 29 3HB SER 29 4.663 15.232 6.191 243 HG SER 29 HG SER 29 3.853 14.127 4.501 244 H VAL 30 H VAL 30 5.731 18.489 3.601 245 HA VAL 30 HA VAL 30 2.900 18.951 4.285 246 HB VAL 30 HB VAL 30 5.130 20.981 4.089 247 HG11 VAL 30 1HG1 VAL 30 3.179 22.411 5.127 248 HG12 VAL 30 2HG1 VAL 30 3.337 22.220 3.380 249 HG13 VAL 30 3HG1 VAL 30 2.170 21.244 4.273 250 HG21 VAL 30 3HG2 VAL 30 4.868 19.408 6.146 251 HG22 VAL 30 1HG2 VAL 30 5.107 21.138 6.394 252 HG23 VAL 30 2HG2 VAL 30 3.493 20.442 6.532 253 H THR 31 H THR 31 1.659 18.879 2.540 254 HA THR 31 HA THR 31 2.697 19.206 -0.107 255 HB THR 31 HB THR 31 0.880 17.647 0.252 256 HG1 THR 31 HG1 THR 31 0.036 18.163 -1.627 257 HG21 THR 31 3HG2 THR 31 -1.250 19.599 0.621 258 HG22 THR 31 1HG2 THR 31 -0.129 19.548 1.981 259 HG23 THR 31 2HG2 THR 31 -0.955 18.078 1.463 260 H GLY 32 H GLY 32 1.657 20.707 -1.694 261 HA2 GLY 32 2HA GLY 32 1.199 23.340 -0.431 262 HA3 GLY 32 3HA GLY 32 2.072 23.127 -1.942 263 H VAL 33 H VAL 33 -0.885 21.435 -1.068 264 HA VAL 33 HA VAL 33 -2.500 23.170 -2.748 265 HB VAL 33 HB VAL 33 -2.111 20.250 -3.420 266 HG11 VAL 33 1HG1 VAL 33 -3.626 21.564 -5.392 267 HG12 VAL 33 2HG1 VAL 33 -4.154 20.292 -4.288 268 HG13 VAL 33 3HG1 VAL 33 -4.347 21.987 -3.839 269 HG21 VAL 33 3HG2 VAL 33 -0.298 21.614 -4.254 270 HG22 VAL 33 1HG2 VAL 33 -1.336 21.130 -5.596 271 HG23 VAL 33 2HG2 VAL 33 -1.441 22.766 -4.945 272 H GLU 34 H GLU 34 -2.898 19.789 -1.728 273 HA GLU 34 HA GLU 34 -4.445 20.284 0.555 274 HB2 GLU 34 2HB GLU 34 -6.696 19.696 -0.338 275 HB3 GLU 34 3HB GLU 34 -6.098 21.251 -0.899 276 HG2 GLU 34 2HG GLU 34 -5.229 19.465 -2.824 277 HG3 GLU 34 3HG GLU 34 -6.845 18.900 -2.405 278 H GLY 35 H GLY 35 -2.423 18.480 -0.457 279 HA2 GLY 35 2HA GLY 35 -1.970 16.286 0.271 280 HA3 GLY 35 3HA GLY 35 -3.699 15.979 0.348 281 H VAL 36 H VAL 36 -1.714 17.220 -2.322 282 HA VAL 36 HA VAL 36 -2.882 15.192 -4.066 283 HB VAL 36 HB VAL 36 -1.011 17.402 -4.898 284 HG11 VAL 36 1HG1 VAL 36 -1.304 16.587 -6.941 285 HG12 VAL 36 2HG1 VAL 36 -2.253 15.264 -6.260 286 HG13 VAL 36 3HG1 VAL 36 -3.052 16.748 -6.782 287 HG21 VAL 36 3HG2 VAL 36 -2.862 18.415 -3.683 288 HG22 VAL 36 1HG2 VAL 36 -2.998 18.745 -5.410 289 HG23 VAL 36 2HG2 VAL 36 -4.018 17.514 -4.665 290 H ASP 37 H ASP 37 -0.249 15.401 -2.113 291 HA ASP 37 HA ASP 37 1.716 14.229 -3.868 292 HB2 ASP 37 2HB ASP 37 2.183 15.739 -1.847 293 HB3 ASP 37 3HB ASP 37 1.866 14.314 -0.860 294 H GLY 38 H GLY 38 -0.997 13.045 -2.419 295 HA2 GLY 38 2HA GLY 38 0.110 10.449 -1.689 296 HA3 GLY 38 3HA GLY 38 -1.562 10.958 -1.506 297 H ARG 39 H ARG 39 -0.809 11.881 -4.525 298 HA ARG 39 HA ARG 39 -1.514 9.274 -5.702 299 HB2 ARG 39 2HB ARG 39 -2.648 10.970 -7.460 300 HB3 ARG 39 3HB ARG 39 -3.512 10.267 -6.099 301 HG2 ARG 39 2HG ARG 39 -2.073 12.825 -5.661 302 HG3 ARG 39 3HG ARG 39 -3.566 12.855 -6.601 303 HD2 ARG 39 2HD ARG 39 -3.236 11.736 -3.819 304 HD3 ARG 39 3HD ARG 39 -4.002 13.268 -4.236 305 HE ARG 39 HE ARG 39 -5.219 11.075 -5.586 306 HH11 ARG 39 1HH1 ARG 39 -5.062 12.735 -2.530 307 HH12 ARG 39 2HH1 ARG 39 -6.651 12.252 -2.038 308 HH21 ARG 39 1HH2 ARG 39 -7.313 10.432 -4.949 309 HH22 ARG 39 2HH2 ARG 39 -7.930 10.941 -3.414 310 H SER 40 H SER 40 -0.823 12.473 -7.087 311 HA SER 40 HA SER 40 1.804 11.995 -7.892 312 HB2 SER 40 2HB SER 40 1.332 11.626 -10.379 313 HB3 SER 40 3HB SER 40 1.100 10.237 -9.318 314 HG SER 40 HG SER 40 -0.673 10.407 -10.670 315 H SER 41 H SER 41 2.695 13.781 -8.860 316 HA SER 41 HA SER 41 1.353 16.222 -8.636 317 HB2 SER 41 2HB SER 41 3.568 16.694 -8.641 318 HB3 SER 41 3HB SER 41 3.958 15.305 -9.656 319 HG SER 41 HG SER 41 3.141 17.891 -10.417 320 H GLU 42 H GLU 42 1.335 13.893 -11.149 321 HA GLU 42 HA GLU 42 0.824 15.469 -13.396 322 HB2 GLU 42 2HB GLU 42 -0.148 13.479 -14.390 323 HB3 GLU 42 3HB GLU 42 1.295 13.049 -13.483 324 HG2 GLU 42 2HG GLU 42 0.056 11.459 -12.555 325 HG3 GLU 42 3HG GLU 42 -0.699 12.751 -11.624 326 H THR 43 H THR 43 -1.279 14.417 -10.799 327 HA THR 43 HA THR 43 -3.767 14.953 -11.942 328 HB THR 43 HB THR 43 -2.941 15.248 -9.047 329 HG1 THR 43 HG1 THR 43 -3.948 13.114 -8.962 330 HG21 THR 43 3HG2 THR 43 -4.985 16.110 -8.761 331 HG22 THR 43 1HG2 THR 43 -5.607 14.508 -9.152 332 HG23 THR 43 2HG2 THR 43 -5.461 15.730 -10.415 333 H GLY 44 H GLY 44 -2.301 17.047 -9.461 334 HA2 GLY 44 2HA GLY 44 -3.259 19.370 -11.017 335 HA3 GLY 44 3HA GLY 44 -3.417 19.279 -9.270 336 H THR 45 H THR 45 -1.567 19.506 -7.964 337 HA THR 45 HA THR 45 0.993 20.063 -9.177 338 HB THR 45 HB THR 45 1.035 22.345 -7.898 339 HG1 THR 45 HG1 THR 45 -1.670 22.461 -8.652 340 HG21 THR 45 3HG2 THR 45 -0.593 22.429 -10.401 341 HG22 THR 45 1HG2 THR 45 1.043 21.775 -10.457 342 HG23 THR 45 2HG2 THR 45 0.773 23.432 -9.917 343 H SER 46 H SER 46 0.783 18.059 -7.595 344 HA SER 46 HA SER 46 0.829 18.533 -4.810 345 HB2 SER 46 2HB SER 46 1.600 16.253 -4.599 346 HB3 SER 46 3HB SER 46 0.397 16.312 -5.887 347 HG SER 46 HG SER 46 2.773 15.322 -6.077 348 H THR 47 H THR 47 2.263 19.899 -3.947 349 HA THR 47 HA THR 47 5.104 19.543 -4.656 350 HB THR 47 HB THR 47 5.510 21.869 -4.239 351 HG1 THR 47 HG1 THR 47 2.791 22.421 -3.790 352 HG21 THR 47 3HG2 THR 47 4.253 21.025 -6.407 353 HG22 THR 47 1HG2 THR 47 4.565 22.739 -6.140 354 HG23 THR 47 2HG2 THR 47 2.973 22.067 -5.787 355 H VAL 48 H VAL 48 6.383 18.885 -3.061 356 HA VAL 48 HA VAL 48 5.348 18.902 -0.324 357 HB VAL 48 HB VAL 48 7.771 17.481 -1.439 358 HG11 VAL 48 1HG1 VAL 48 6.413 17.399 1.245 359 HG12 VAL 48 2HG1 VAL 48 7.521 16.143 0.689 360 HG13 VAL 48 3HG1 VAL 48 8.092 17.801 0.885 361 HG21 VAL 48 3HG2 VAL 48 5.822 16.551 -2.455 362 HG22 VAL 48 1HG2 VAL 48 6.332 15.446 -1.178 363 HG23 VAL 48 2HG2 VAL 48 4.961 16.524 -0.916 364 H THR 49 H THR 49 5.870 20.610 0.866 365 HA THR 49 HA THR 49 8.281 22.131 0.320 366 HB THR 49 HB THR 49 6.291 22.634 2.533 367 HG1 THR 49 HG1 THR 49 5.514 24.217 0.830 368 HG21 THR 49 3HG2 THR 49 8.561 24.107 1.324 369 HG22 THR 49 1HG2 THR 49 7.973 24.100 2.986 370 HG23 THR 49 2HG2 THR 49 7.136 25.051 1.759 371 H VAL 50 H VAL 50 10.150 21.859 1.341 372 HA VAL 50 HA VAL 50 10.146 20.410 3.909 373 HB VAL 50 HB VAL 50 12.248 19.432 3.381 374 HG11 VAL 50 1HG1 VAL 50 11.721 18.067 1.484 375 HG12 VAL 50 2HG1 VAL 50 10.220 18.419 2.342 376 HG13 VAL 50 3HG1 VAL 50 10.610 19.283 0.855 377 HG21 VAL 50 3HG2 VAL 50 12.362 21.581 1.377 378 HG22 VAL 50 1HG2 VAL 50 13.656 20.812 2.296 379 HG23 VAL 50 2HG2 VAL 50 13.015 20.030 0.851 380 H LEU 51 H LEU 51 11.571 21.093 5.526 381 HA LEU 51 HA LEU 51 12.985 23.622 5.065 382 HB2 LEU 51 2HB LEU 51 10.613 23.722 6.226 383 HB3 LEU 51 3HB LEU 51 11.547 23.249 7.643 384 HG LEU 51 HG LEU 51 12.423 25.610 6.039 385 HD11 LEU 51 1HD1 LEU 51 10.853 27.039 6.857 386 HD12 LEU 51 2HD1 LEU 51 10.529 26.050 8.280 387 HD13 LEU 51 3HD1 LEU 51 9.863 25.587 6.715 388 HD21 LEU 51 3HD2 LEU 51 12.592 24.758 8.921 389 HD22 LEU 51 1HD2 LEU 51 13.056 26.363 8.355 390 HD23 LEU 51 2HD2 LEU 51 13.909 24.938 7.761 391 H THR 52 H THR 52 15.046 23.158 5.447 392 HA THR 52 HA THR 52 15.926 21.012 7.071 393 HB THR 52 HB THR 52 18.122 21.655 6.560 394 HG1 THR 52 HG1 THR 52 17.240 24.269 5.865 395 HG21 THR 52 3HG2 THR 52 16.456 21.257 4.569 396 HG22 THR 52 1HG2 THR 52 18.114 21.770 4.259 397 HG23 THR 52 2HG2 THR 52 16.803 22.950 4.215 398 H TYR 53 H TYR 53 17.987 21.903 8.591 399 HA TYR 53 HA TYR 53 16.586 23.343 10.732 400 HB2 TYR 53 2HB TYR 53 18.537 21.142 10.662 401 HB3 TYR 53 3HB TYR 53 18.855 22.357 11.895 402 HD1 TYR 53 HD2 TYR 53 15.967 20.398 10.548 403 HD2 TYR 53 HD1 TYR 53 17.902 22.030 13.967 404 HE1 TYR 53 HE2 TYR 53 14.269 19.364 11.996 405 HE2 TYR 53 HE1 TYR 53 16.210 21.000 15.425 406 HH TYR 53 HH TYR 53 14.383 18.606 14.713 407 HA PRO 54 HA PRO 54 19.194 26.860 10.377 408 HB2 PRO 54 2HB PRO 54 19.221 27.710 12.956 409 HB3 PRO 54 3HB PRO 54 17.809 27.873 11.905 410 HG2 PRO 54 2HG PRO 54 18.386 25.808 13.994 411 HG3 PRO 54 3HG PRO 54 16.872 26.668 13.659 412 HD2 PRO 54 2HD PRO 54 17.330 24.138 12.809 413 HD3 PRO 54 3HD PRO 54 16.332 25.286 11.895 414 H GLY 55 H GLY 55 21.332 27.324 10.430 415 HA2 GLY 55 2HA GLY 55 23.061 25.450 11.877 416 HA3 GLY 55 3HA GLY 55 23.547 26.482 10.540 417 H THR 56 H THR 56 25.257 27.501 11.469 418 HA THR 56 HA THR 56 24.851 28.848 14.040 419 HB THR 56 HB THR 56 26.880 27.479 13.825 420 HG1 THR 56 HG1 THR 56 27.413 29.024 15.197 421 HG21 THR 56 3HG2 THR 56 27.195 27.806 11.385 422 HG22 THR 56 1HG2 THR 56 28.665 28.088 12.315 423 HG23 THR 56 2HG2 THR 56 27.731 29.454 11.706 424 H GLN 57 H GLN 57 25.484 29.476 10.652 425 HA GLN 57 HA GLN 57 25.213 32.359 11.198 426 HB2 GLN 57 2HB GLN 57 27.257 30.907 9.711 427 HB3 GLN 57 3HB GLN 57 26.507 32.176 8.753 428 HG2 GLN 57 2HG GLN 57 27.003 33.335 11.238 429 HG3 GLN 57 3HG GLN 57 28.436 32.374 10.875 430 HE21 GLN 57 1HE2 GLN 57 28.249 35.227 11.018 431 HE22 GLN 57 2HE2 GLN 57 28.672 35.843 9.460 432 H ASN 58 H ASN 58 24.444 29.658 9.105 433 HA ASN 58 HA ASN 58 22.663 31.350 7.508 434 HB2 ASN 58 2HB ASN 58 24.367 29.325 6.761 435 HB3 ASN 58 3HB ASN 58 22.810 28.504 6.811 436 HD21 ASN 58 1HD2 ASN 58 22.040 28.367 4.838 437 HD22 ASN 58 2HD2 ASN 58 22.025 29.630 3.659 438 H LYS 59 H LYS 59 20.467 30.980 7.353 439 HA LYS 59 HA LYS 59 19.338 29.316 9.496 440 HB2 LYS 59 2HB LYS 59 18.871 31.952 8.892 441 HB3 LYS 59 3HB LYS 59 17.526 31.151 8.090 442 HG2 LYS 59 2HG LYS 59 18.127 30.381 10.892 443 HG3 LYS 59 3HG LYS 59 17.384 31.955 10.601 444 HD2 LYS 59 2HD LYS 59 16.042 30.007 9.011 445 HD3 LYS 59 3HD LYS 59 16.144 29.408 10.668 446 HE2 LYS 59 2HE LYS 59 15.324 32.235 10.210 447 HE3 LYS 59 3HE LYS 59 14.157 30.953 9.888 448 HZ1 LYS 59 3HZ LYS 59 13.866 30.587 12.054 449 HZ2 LYS 59 1HZ LYS 59 14.618 32.083 12.303 450 HZ3 LYS 59 2HZ LYS 59 15.521 30.656 12.401 451 H ALA 60 H ALA 60 17.512 27.996 9.083 452 HA ALA 60 HA ALA 60 17.622 26.591 6.625 453 HB1 ALA 60 1HB ALA 60 15.966 25.175 7.513 454 HB2 ALA 60 2HB ALA 60 16.935 25.686 8.896 455 HB3 ALA 60 3HB ALA 60 15.363 26.427 8.599 456 H THR 61 H THR 61 16.331 26.642 4.847 457 HA THR 61 HA THR 61 14.388 28.851 4.708 458 HB THR 61 HB THR 61 15.202 27.719 2.143 459 HG1 THR 61 HG1 THR 61 17.165 28.944 3.811 460 HG21 THR 61 3HG2 THR 61 15.864 30.314 2.031 461 HG22 THR 61 1HG2 THR 61 14.759 30.361 3.405 462 HG23 THR 61 2HG2 THR 61 14.206 29.741 1.849 463 H TYR 62 H TYR 62 12.574 28.496 3.152 464 HA TYR 62 HA TYR 62 11.671 25.691 3.228 465 HB2 TYR 62 2HB TYR 62 9.350 26.609 3.413 466 HB3 TYR 62 3HB TYR 62 10.365 26.951 4.809 467 HD1 TYR 62 HD2 TYR 62 11.315 29.247 5.100 468 HD2 TYR 62 HD1 TYR 62 8.417 28.361 2.113 469 HE1 TYR 62 HE2 TYR 62 10.817 31.645 4.879 470 HE2 TYR 62 HE1 TYR 62 7.911 30.757 1.884 471 HH TYR 62 HH TYR 62 9.609 33.067 2.557 472 H LYS 63 H LYS 63 11.325 24.816 1.307 473 HA LYS 63 HA LYS 63 10.423 26.514 -0.908 474 HB2 LYS 63 2HB LYS 63 12.953 26.087 -0.937 475 HB3 LYS 63 3HB LYS 63 12.547 24.416 -1.309 476 HG2 LYS 63 2HG LYS 63 12.819 25.215 -3.416 477 HG3 LYS 63 3HG LYS 63 11.102 25.561 -3.201 478 HD2 LYS 63 2HD LYS 63 12.083 27.522 -4.110 479 HD3 LYS 63 3HD LYS 63 11.783 27.854 -2.402 480 HE2 LYS 63 2HE LYS 63 14.031 27.744 -1.854 481 HE3 LYS 63 3HE LYS 63 14.435 26.786 -3.278 482 HZ1 LYS 63 3HZ LYS 63 15.242 28.839 -3.849 483 HZ2 LYS 63 1HZ LYS 63 14.014 29.685 -3.050 484 HZ3 LYS 63 2HZ LYS 63 13.693 28.922 -4.525 485 H ASN 64 H ASN 64 8.973 25.570 -2.265 486 HA ASN 64 HA ASN 64 8.058 22.889 -1.513 487 HB2 ASN 64 2HB ASN 64 5.975 23.473 -2.672 488 HB3 ASN 64 3HB ASN 64 6.381 24.683 -1.458 489 HD21 ASN 64 1HD2 ASN 64 5.729 24.080 -4.731 490 HD22 ASN 64 2HD2 ASN 64 5.999 25.679 -5.326 491 H VAL 65 H VAL 65 8.529 21.209 -2.754 492 HA VAL 65 HA VAL 65 8.683 21.509 -5.645 493 HB VAL 65 HB VAL 65 10.843 20.303 -5.781 494 HG11 VAL 65 1HG1 VAL 65 10.820 22.705 -6.046 495 HG12 VAL 65 2HG1 VAL 65 10.899 22.929 -4.297 496 HG13 VAL 65 3HG1 VAL 65 12.267 22.224 -5.160 497 HG21 VAL 65 3HG2 VAL 65 11.088 19.164 -3.767 498 HG22 VAL 65 1HG2 VAL 65 12.257 20.477 -3.629 499 HG23 VAL 65 2HG2 VAL 65 10.704 20.588 -2.801 500 H ASP 66 H ASP 66 8.691 19.454 -6.774 501 HA ASP 66 HA ASP 66 6.849 17.625 -5.782 502 HB2 ASP 66 2HB ASP 66 8.960 17.036 -7.864 503 HB3 ASP 66 3HB ASP 66 7.403 16.234 -7.675 504 H SER 67 H SER 67 10.337 17.694 -5.512 505 HA SER 67 HA SER 67 10.427 16.034 -3.267 506 HB2 SER 67 2HB SER 67 10.413 14.625 -5.831 507 HB3 SER 67 3HB SER 67 11.813 14.229 -4.834 508 HG SER 67 HG SER 67 10.557 13.213 -3.481 509 H HIS 68 H HIS 68 12.123 17.080 -6.178 510 HA HIS 68 HA HIS 68 14.178 18.002 -6.500 511 HB2 HIS 68 2HB HIS 68 13.381 18.822 -3.856 512 HB3 HIS 68 3HB HIS 68 15.125 18.579 -3.909 513 HD1 HIS 68 HD1 HIS 68 15.623 21.093 -3.748 514 HD2 HIS 68 HD2 HIS 68 13.305 20.051 -7.034 515 HE1 HIS 68 HE1 HIS 68 15.597 23.128 -5.225 516 H SER 69 H SER 69 13.776 15.114 -5.718 517 HA SER 69 HA SER 69 15.996 14.231 -4.224 518 HB2 SER 69 2HB SER 69 13.954 12.869 -4.746 519 HB3 SER 69 3HB SER 69 14.553 12.696 -6.396 520 HG SER 69 HG SER 69 15.252 10.924 -5.279 521 H SER 70 H SER 70 15.685 15.330 -7.468 522 HA SER 70 HA SER 70 18.015 14.024 -8.503 523 HB2 SER 70 2HB SER 70 17.710 15.475 -10.453 524 HB3 SER 70 3HB SER 70 16.171 14.761 -9.971 525 HG SER 70 HG SER 70 16.907 17.373 -10.079 526 H ALA 71 H ALA 71 17.621 16.485 -6.316 527 HA ALA 71 HA ALA 71 20.224 17.682 -7.010 528 HB1 ALA 71 1HB ALA 71 17.724 18.913 -6.423 529 HB2 ALA 71 2HB ALA 71 18.874 19.331 -5.152 530 HB3 ALA 71 3HB ALA 71 19.261 19.672 -6.838 531 H ILE 72 H ILE 72 18.397 15.967 -4.659 532 HA ILE 72 HA ILE 72 20.638 16.196 -2.756 533 HB ILE 72 HB ILE 72 19.053 15.766 -0.933 534 HG12 ILE 72 2HG1 ILE 72 16.553 16.286 -1.774 535 HG13 ILE 72 3HG1 ILE 72 17.174 15.493 -3.218 536 HG21 ILE 72 1HG2 ILE 72 19.402 18.130 -2.347 537 HG22 ILE 72 2HG2 ILE 72 17.666 18.038 -2.058 538 HG23 ILE 72 3HG2 ILE 72 18.791 17.963 -0.702 539 HD11 ILE 72 3HD1 ILE 72 16.792 13.536 -2.277 540 HD12 ILE 72 1HD1 ILE 72 17.951 13.926 -1.006 541 HD13 ILE 72 2HD1 ILE 72 16.246 14.331 -0.801 542 H THR 73 H THR 73 21.487 14.345 -1.936 543 HA THR 73 HA THR 73 20.621 11.853 -3.185 544 HB THR 73 HB THR 73 22.720 10.907 -2.429 545 HG1 THR 73 HG1 THR 73 23.388 11.729 -0.583 546 HG21 THR 73 3HG2 THR 73 24.099 12.017 -3.896 547 HG22 THR 73 1HG2 THR 73 23.567 13.610 -3.361 548 HG23 THR 73 2HG2 THR 73 22.530 12.639 -4.406 549 H PHE 74 H PHE 74 20.967 9.853 -1.689 550 HA PHE 74 HA PHE 74 19.521 10.383 0.821 551 HB2 PHE 74 2HB PHE 74 19.000 8.552 -1.329 552 HB3 PHE 74 3HB PHE 74 19.298 7.644 0.150 553 HD1 PHE 74 HD2 PHE 74 18.080 8.789 2.283 554 HD2 PHE 74 HD1 PHE 74 16.817 9.051 -1.773 555 HE1 PHE 74 HE2 PHE 74 15.783 9.255 3.032 556 HE2 PHE 74 HE1 PHE 74 14.518 9.519 -1.031 557 HZ PHE 74 HZ PHE 74 13.998 9.620 1.374 558 H PHE 75 H PHE 75 21.466 10.705 1.990 559 HA PHE 75 HA PHE 75 22.514 8.336 3.156 560 HB2 PHE 75 2HB PHE 75 23.797 8.987 0.821 561 HB3 PHE 75 3HB PHE 75 24.792 9.805 2.021 562 HD1 PHE 75 HD2 PHE 75 23.024 6.519 1.852 563 HD2 PHE 75 HD1 PHE 75 26.660 8.611 2.574 564 HE1 PHE 75 HE2 PHE 75 24.143 4.390 2.370 565 HE2 PHE 75 HE1 PHE 75 27.785 6.485 3.092 566 HZ PHE 75 HZ PHE 75 26.526 4.370 2.991 567 H GLU 76 H GLU 76 24.759 9.153 4.365 568 HA GLU 76 HA GLU 76 23.944 11.611 5.770 569 HB2 GLU 76 2HB GLU 76 25.322 10.565 7.689 570 HB3 GLU 76 3HB GLU 76 23.718 9.923 7.361 571 HG2 GLU 76 2HG GLU 76 24.583 7.999 6.326 572 HG3 GLU 76 3HG GLU 76 26.197 8.696 6.203 573 HA PRO 77 HA PRO 77 27.797 13.492 4.841 574 HB2 PRO 77 2HB PRO 77 28.300 14.887 7.115 575 HB3 PRO 77 3HB PRO 77 27.040 15.348 5.965 576 HG2 PRO 77 2HG PRO 77 26.793 13.847 8.543 577 HG3 PRO 77 3HG PRO 77 25.766 15.142 7.899 578 HD2 PRO 77 2HD PRO 77 25.078 12.527 7.752 579 HD3 PRO 77 3HD PRO 77 24.613 13.709 6.511 580 H SER 78 H SER 78 30.059 13.547 5.347 581 HA SER 78 HA SER 78 30.918 11.174 6.799 582 HB2 SER 78 2HB SER 78 31.999 12.835 4.629 583 HB3 SER 78 3HB SER 78 33.209 12.312 5.800 584 HG SER 78 HG SER 78 32.635 10.186 5.405 585 H SER 79 H SER 79 30.615 14.501 7.327 586 HA SER 79 HA SER 79 31.145 15.825 9.104 587 HB2 SER 79 2HB SER 79 31.349 13.145 10.143 588 HB3 SER 79 3HB SER 79 32.591 14.165 10.869 589 HG SER 79 HG SER 79 31.063 14.960 12.053 590 H GLU 80 H GLU 80 33.859 13.552 9.361 591 HA GLU 80 HA GLU 80 35.818 15.532 9.577 592 HB2 GLU 80 2HB GLU 80 35.750 12.768 9.740 593 HB3 GLU 80 3HB GLU 80 36.791 13.069 8.356 594 HG2 GLU 80 2HG GLU 80 38.104 14.635 9.809 595 HG3 GLU 80 3HG GLU 80 37.156 14.046 11.173 596 H LYS 81 H LYS 81 34.558 13.830 6.761 597 HA LYS 81 HA LYS 81 36.460 14.912 4.927 598 HB2 LYS 81 2HB LYS 81 35.047 12.790 4.656 599 HB3 LYS 81 3HB LYS 81 33.732 13.864 4.199 600 HG2 LYS 81 2HG LYS 81 34.521 13.489 2.129 601 HG3 LYS 81 3HG LYS 81 35.652 14.774 2.558 602 HD2 LYS 81 2HD LYS 81 37.409 13.345 2.758 603 HD3 LYS 81 3HD LYS 81 36.401 12.015 3.332 604 HE2 LYS 81 2HE LYS 81 35.466 12.127 0.865 605 HE3 LYS 81 3HE LYS 81 37.036 12.864 0.551 606 HZ1 LYS 81 3HZ LYS 81 36.514 10.193 0.664 607 HZ2 LYS 81 1HZ LYS 81 37.239 10.509 2.160 608 HZ3 LYS 81 2HZ LYS 81 38.046 10.907 0.728 609 H ALA 82 H ALA 82 33.722 16.177 6.467 610 HA ALA 82 HA ALA 82 33.303 18.204 4.387 611 HB1 ALA 82 1HB ALA 82 31.323 18.833 5.844 612 HB2 ALA 82 2HB ALA 82 31.249 17.262 5.045 613 HB3 ALA 82 3HB ALA 82 31.659 17.362 6.757 614 H VAL 83 H VAL 83 34.831 17.721 7.388 615 HA VAL 83 HA VAL 83 34.688 20.418 8.346 616 HB VAL 83 HB VAL 83 36.526 18.146 9.110 617 HG11 VAL 83 1HG1 VAL 83 36.748 19.657 11.220 618 HG12 VAL 83 2HG1 VAL 83 37.739 19.987 9.797 619 HG13 VAL 83 3HG1 VAL 83 36.295 20.951 10.112 620 HG21 VAL 83 3HG2 VAL 83 33.814 18.573 9.639 621 HG22 VAL 83 1HG2 VAL 83 34.888 17.414 10.423 622 HG23 VAL 83 2HG2 VAL 83 34.659 19.017 11.122 623 H THR 84 H THR 84 35.941 22.101 7.850 624 HA THR 84 HA THR 84 38.638 21.808 6.920 625 HB THR 84 HB THR 84 36.794 23.138 4.954 626 HG1 THR 84 HG1 THR 84 36.046 21.093 4.821 627 HG21 THR 84 3HG2 THR 84 39.408 21.778 4.395 628 HG22 THR 84 1HG2 THR 84 39.364 23.419 5.039 629 HG23 THR 84 2HG2 THR 84 38.606 23.060 3.487 630 H ALA 85 H ALA 85 35.955 24.146 6.621 631 HA ALA 85 HA ALA 85 36.872 25.905 8.592 632 HB1 ALA 85 1HB ALA 85 37.429 27.361 6.131 633 HB2 ALA 85 2HB ALA 85 38.350 27.277 7.633 634 HB3 ALA 85 3HB ALA 85 38.538 26.018 6.412 635 H ASN 86 H ASN 86 34.435 24.797 7.451 636 HA ASN 86 HA ASN 86 33.056 27.235 6.558 637 HB2 ASN 86 2HB ASN 86 32.500 24.309 6.177 638 HB3 ASN 86 3HB ASN 86 31.194 25.483 6.039 639 HD21 ASN 86 1HD2 ASN 86 33.692 23.926 4.449 640 HD22 ASN 86 2HD2 ASN 86 33.732 24.894 3.018 641 H GLU 87 H GLU 87 32.318 28.313 8.285 642 HA GLU 87 HA GLU 87 31.689 27.248 10.780 643 HB2 GLU 87 2HB GLU 87 30.427 29.376 11.143 644 HB3 GLU 87 3HB GLU 87 32.066 29.604 10.550 645 HG2 GLU 87 2HG GLU 87 31.030 29.761 8.231 646 HG3 GLU 87 3HG GLU 87 29.484 29.920 9.061 647 H ASP 88 H ASP 88 29.551 28.004 8.047 648 HA ASP 88 HA ASP 88 27.153 27.219 9.315 649 HB2 ASP 88 2HB ASP 88 26.323 27.007 6.899 650 HB3 ASP 88 3HB ASP 88 26.914 28.586 7.409 651 H LEU 89 H LEU 89 29.424 25.481 7.226 652 HA LEU 89 HA LEU 89 27.970 23.106 6.959 653 HB2 LEU 89 2HB LEU 89 30.079 23.850 5.737 654 HB3 LEU 89 3HB LEU 89 30.966 23.240 7.132 655 HG LEU 89 HG LEU 89 30.153 20.996 6.704 656 HD11 LEU 89 1HD1 LEU 89 28.231 22.393 5.081 657 HD12 LEU 89 2HD1 LEU 89 28.220 20.724 5.650 658 HD13 LEU 89 3HD1 LEU 89 29.044 21.137 4.147 659 HD21 LEU 89 3HD2 LEU 89 31.147 22.130 4.102 660 HD22 LEU 89 1HD2 LEU 89 31.429 20.524 4.773 661 HD23 LEU 89 2HD2 LEU 89 32.179 21.935 5.519 662 H LEU 90 H LEU 90 30.076 24.257 9.518 663 HA LEU 90 HA LEU 90 30.445 21.860 10.912 664 HB2 LEU 90 2HB LEU 90 31.741 23.813 11.435 665 HB3 LEU 90 3HB LEU 90 30.292 24.703 11.897 666 HG LEU 90 HG LEU 90 30.023 23.331 13.864 667 HD11 LEU 90 1HD1 LEU 90 32.445 21.833 12.875 668 HD12 LEU 90 2HD1 LEU 90 30.800 21.210 12.993 669 HD13 LEU 90 3HD1 LEU 90 31.692 21.626 14.457 670 HD21 LEU 90 3HD2 LEU 90 32.821 23.764 14.335 671 HD22 LEU 90 1HD2 LEU 90 31.431 24.660 14.949 672 HD23 LEU 90 2HD2 LEU 90 32.149 25.100 13.399 673 H GLN 91 H GLN 91 27.976 24.386 11.368 674 HA GLN 91 HA GLN 91 26.575 23.029 13.410 675 HB2 GLN 91 2HB GLN 91 26.439 25.527 12.247 676 HB3 GLN 91 3HB GLN 91 24.932 24.777 11.739 677 HG2 GLN 91 2HG GLN 91 25.783 24.701 14.603 678 HG3 GLN 91 3HG GLN 91 24.991 26.125 13.931 679 HE21 GLN 91 1HE2 GLN 91 23.487 25.398 15.724 680 HE22 GLN 91 2HE2 GLN 91 22.207 24.332 15.267 681 H ALA 92 H ALA 92 26.248 23.071 9.900 682 HA ALA 92 HA ALA 92 23.816 21.679 9.712 683 HB1 ALA 92 1HB ALA 92 24.171 22.284 7.606 684 HB2 ALA 92 2HB ALA 92 25.884 22.568 7.919 685 HB3 ALA 92 3HB ALA 92 25.324 20.955 7.475 686 H ILE 93 H ILE 93 27.152 20.553 9.951 687 HA ILE 93 HA ILE 93 26.719 17.842 9.408 688 HB ILE 93 HB ILE 93 28.785 19.167 11.161 689 HG12 ILE 93 2HG1 ILE 93 29.420 17.850 8.572 690 HG13 ILE 93 3HG1 ILE 93 28.540 19.373 8.499 691 HG21 ILE 93 1HG2 ILE 93 30.024 16.967 10.804 692 HG22 ILE 93 2HG2 ILE 93 28.704 16.969 11.973 693 HG23 ILE 93 3HG2 ILE 93 28.456 16.292 10.363 694 HD11 ILE 93 3HD1 ILE 93 30.499 20.390 8.626 695 HD12 ILE 93 1HD1 ILE 93 30.599 19.841 10.298 696 HD13 ILE 93 2HD1 ILE 93 31.329 18.882 9.010 697 H ARG 94 H ARG 94 26.403 19.689 12.391 698 HA ARG 94 HA ARG 94 26.052 17.481 14.123 699 HB2 ARG 94 2HB ARG 94 25.192 20.367 14.358 700 HB3 ARG 94 3HB ARG 94 25.010 19.190 15.652 701 HG2 ARG 94 2HG ARG 94 27.655 18.932 14.969 702 HG3 ARG 94 3HG ARG 94 27.361 20.661 14.776 703 HD2 ARG 94 2HD ARG 94 26.680 19.049 17.232 704 HD3 ARG 94 3HD ARG 94 28.118 20.053 17.050 705 HE ARG 94 HE ARG 94 25.988 21.711 16.525 706 HH11 ARG 94 1HH1 ARG 94 27.048 19.739 19.191 707 HH12 ARG 94 2HH1 ARG 94 26.334 20.756 20.398 708 HH21 ARG 94 1HH2 ARG 94 25.043 23.058 18.104 709 HH22 ARG 94 2HH2 ARG 94 25.193 22.644 19.778 710 H ASN 95 H ASN 95 23.727 19.614 12.483 711 HA ASN 95 HA ASN 95 21.388 18.480 13.497 712 HB2 ASN 95 2HB ASN 95 21.718 19.638 10.724 713 HB3 ASN 95 3HB ASN 95 20.238 19.557 11.676 714 HD21 ASN 95 1HD2 ASN 95 21.109 21.920 10.603 715 HD22 ASN 95 2HD2 ASN 95 21.621 22.978 11.870 716 H ALA 96 H ALA 96 22.900 17.853 10.325 717 HA ALA 96 HA ALA 96 21.288 15.835 9.423 718 HB1 ALA 96 1HB ALA 96 23.815 16.878 8.739 719 HB2 ALA 96 2HB ALA 96 23.984 15.123 8.806 720 HB3 ALA 96 3HB ALA 96 22.761 15.851 7.766 721 H GLU 97 H GLU 97 23.818 15.642 11.848 722 HA GLU 97 HA GLU 97 23.885 12.797 11.986 723 HB2 GLU 97 2HB GLU 97 25.801 13.966 12.772 724 HB3 GLU 97 3HB GLU 97 24.836 14.969 13.846 725 HG2 GLU 97 2HG GLU 97 24.351 13.053 15.246 726 HG3 GLU 97 3HG GLU 97 25.244 12.002 14.147 727 H GLU 98 H GLU 98 22.232 15.318 13.845 728 HA GLU 98 HA GLU 98 21.050 13.550 15.723 729 HB2 GLU 98 2HB GLU 98 20.201 15.419 16.671 730 HB3 GLU 98 3HB GLU 98 21.319 16.237 15.589 731 HG2 GLU 98 2HG GLU 98 19.467 16.413 13.929 732 HG3 GLU 98 3HG GLU 98 18.380 15.774 15.160 733 H ASP 99 H ASP 99 20.074 14.774 12.585 734 HA ASP 99 HA ASP 99 17.418 13.640 12.785 735 HB2 ASP 99 2HB ASP 99 18.910 15.195 10.700 736 HB3 ASP 99 3HB ASP 99 17.444 14.325 10.258 737 H LYS 100 H LYS 100 17.487 11.454 12.883 738 HA LYS 100 HA LYS 100 18.545 10.074 10.521 739 HB2 LYS 100 2HB LYS 100 19.182 9.497 13.394 740 HB3 LYS 100 3HB LYS 100 19.163 8.187 12.220 741 HG2 LYS 100 2HG LYS 100 20.715 9.872 10.883 742 HG3 LYS 100 3HG LYS 100 21.054 10.447 12.517 743 HD2 LYS 100 2HD LYS 100 21.167 7.524 11.861 744 HD3 LYS 100 3HD LYS 100 22.538 8.581 11.516 745 HE2 LYS 100 2HE LYS 100 21.582 9.080 14.168 746 HE3 LYS 100 3HE LYS 100 21.858 7.352 13.960 747 HZ1 LYS 100 3HZ LYS 100 24.019 7.709 14.157 748 HZ2 LYS 100 1HZ LYS 100 23.752 9.367 14.364 749 HZ3 LYS 100 2HZ LYS 100 24.005 8.738 12.814 750 H GLU 101 H GLU 101 15.971 10.643 10.582 751 HA GLU 101 HA GLU 101 13.849 9.814 10.575 752 HB2 GLU 101 2HB GLU 101 15.204 8.120 9.181 753 HB3 GLU 101 3HB GLU 101 15.072 7.067 10.582 754 HG2 GLU 101 2HG GLU 101 12.506 7.695 10.327 755 HG3 GLU 101 3HG GLU 101 13.003 7.929 8.652 756 H SER 102 H SER 102 15.188 10.185 13.171 757 HA SER 102 HA SER 102 13.192 8.997 14.818 758 HB2 SER 102 2HB SER 102 14.916 7.121 14.416 759 HB3 SER 102 3HB SER 102 15.986 8.064 15.453 760 HG SER 102 HG SER 102 14.953 6.774 16.851 761 H ASN 103 H ASN 103 14.073 11.616 14.295 762 HA ASN 103 HA ASN 103 15.702 12.494 16.512 763 HB2 ASN 103 2HB ASN 103 15.421 13.520 14.081 764 HB3 ASN 103 3HB ASN 103 14.117 14.411 14.861 765 HD21 ASN 103 1HD2 ASN 103 15.247 16.348 14.538 766 HD22 ASN 103 2HD2 ASN 103 16.597 16.780 15.526 767 H ALA 104 H ALA 104 15.035 13.508 18.350 768 HA ALA 104 HA ALA 104 13.666 14.107 20.068 769 HB1 ALA 104 1HB ALA 104 12.779 15.509 17.933 770 HB2 ALA 104 2HB ALA 104 11.313 14.640 18.387 771 HB3 ALA 104 3HB ALA 104 12.128 15.669 19.564 772 H LEU 105 H LEU 105 13.645 11.341 18.978 773 HA LEU 105 HA LEU 105 10.966 10.491 19.851 774 HB2 LEU 105 2HB LEU 105 11.750 9.850 17.553 775 HB3 LEU 105 3HB LEU 105 12.995 8.870 18.325 776 HG LEU 105 HG LEU 105 10.234 8.312 19.188 777 HD11 LEU 105 1HD1 LEU 105 9.583 7.136 17.225 778 HD12 LEU 105 2HD1 LEU 105 11.134 7.452 16.447 779 HD13 LEU 105 3HD1 LEU 105 10.008 8.778 16.738 780 HD21 LEU 105 3HD2 LEU 105 11.907 6.903 20.037 781 HD22 LEU 105 1HD2 LEU 105 12.690 6.741 18.465 782 HD23 LEU 105 2HD2 LEU 105 11.133 5.966 18.759 783 H ARG 106 H ARG 106 14.423 9.791 20.183 784 HA ARG 106 HA ARG 106 13.933 7.944 22.365 785 HB2 ARG 106 2HB ARG 106 15.792 7.796 20.548 786 HB3 ARG 106 3HB ARG 106 16.645 8.949 21.565 787 HG2 ARG 106 2HG ARG 106 17.301 7.344 22.940 788 HG3 ARG 106 3HG ARG 106 15.643 6.777 23.153 789 HD2 ARG 106 2HD ARG 106 15.872 5.563 20.977 790 HD3 ARG 106 3HD ARG 106 17.579 6.001 20.979 791 HE ARG 106 HE ARG 106 17.127 4.783 23.401 792 HH11 ARG 106 1HH1 ARG 106 16.801 3.915 20.046 793 HH12 ARG 106 2HH1 ARG 106 17.101 2.230 20.318 794 HH21 ARG 106 1HH2 ARG 106 17.523 2.567 23.772 795 HH22 ARG 106 2HH2 ARG 106 17.511 1.465 22.438 796 H PHE 107 H PHE 107 15.702 11.010 21.937 797 HA PHE 107 HA PHE 107 15.968 11.363 24.787 798 HB2 PHE 107 2HB PHE 107 16.552 13.391 22.626 799 HB3 PHE 107 3HB PHE 107 17.197 13.353 24.264 800 HD1 PHE 107 HD2 PHE 107 18.160 10.720 24.675 801 HD2 PHE 107 HD1 PHE 107 18.222 13.032 21.102 802 HE1 PHE 107 HE2 PHE 107 20.101 9.433 23.881 803 HE2 PHE 107 HE1 PHE 107 20.162 11.748 20.301 804 HZ PHE 107 HZ PHE 107 21.105 9.947 21.691 805 H GLU 108 H GLU 108 15.063 13.067 26.011 806 HA GLU 108 HA GLU 108 12.345 13.667 25.301 807 HB2 GLU 108 2HB GLU 108 14.047 13.907 27.692 808 HB3 GLU 108 3HB GLU 108 12.826 15.161 27.532 809 HG2 GLU 108 2HG GLU 108 11.333 12.988 27.010 810 HG3 GLU 108 3HG GLU 108 12.532 12.290 28.097 811 HA PRO 109 HA PRO 109 12.949 17.586 23.399 812 HB2 PRO 109 2HB PRO 109 10.535 18.714 23.920 813 HB3 PRO 109 3HB PRO 109 10.758 17.431 22.724 814 HG2 PRO 109 2HG PRO 109 9.767 17.242 25.543 815 HG3 PRO 109 3HG PRO 109 9.151 16.443 24.084 816 HD2 PRO 109 2HD PRO 109 10.740 15.180 25.876 817 HD3 PRO 109 3HD PRO 109 10.776 14.810 24.140 818 H THR 110 H THR 110 12.158 20.018 24.016 819 HA THR 110 HA THR 110 13.739 20.699 26.304 820 HB THR 110 HB THR 110 13.795 22.176 24.397 821 HG1 THR 110 HG1 THR 110 13.830 23.915 25.632 822 HG21 THR 110 3HG2 THR 110 11.902 22.295 23.191 823 HG22 THR 110 1HG2 THR 110 11.445 23.579 24.309 824 HG23 THR 110 2HG2 THR 110 10.882 21.930 24.583 Start of MODEL 2 1 H1 MET 1 H MET 1 11.209 4.843 -9.557 2 HA MET 1 HA MET 1 11.575 2.597 -9.618 3 HB2 MET 1 2HB MET 1 13.555 1.750 -10.879 4 HB3 MET 1 3HB MET 1 12.555 2.869 -11.795 5 HG2 MET 1 2HG MET 1 14.497 4.428 -10.502 6 HG3 MET 1 3HG MET 1 15.337 3.024 -11.157 7 HE1 MET 1 3HE MET 1 16.682 3.723 -12.585 8 HE2 MET 1 1HE MET 1 16.230 3.764 -14.289 9 HE3 MET 1 2HE MET 1 16.556 5.267 -13.428 10 H LEU 2 H LEU 2 11.884 3.408 -7.230 11 HA LEU 2 HA LEU 2 14.408 2.234 -6.280 12 HB2 LEU 2 2HB LEU 2 14.624 3.865 -4.577 13 HB3 LEU 2 3HB LEU 2 14.377 4.726 -6.095 14 HG LEU 2 HG LEU 2 11.856 4.315 -4.778 15 HD11 LEU 2 1HD1 LEU 2 13.581 4.305 -2.824 16 HD12 LEU 2 2HD1 LEU 2 12.126 5.296 -2.714 17 HD13 LEU 2 3HD1 LEU 2 13.667 6.037 -3.147 18 HD21 LEU 2 3HD2 LEU 2 13.127 6.983 -4.982 19 HD22 LEU 2 1HD2 LEU 2 11.503 6.460 -5.430 20 HD23 LEU 2 2HD2 LEU 2 12.870 6.091 -6.482 21 H GLN 3 H GLN 3 13.984 2.216 -3.609 22 HA GLN 3 HA GLN 3 12.007 0.142 -3.340 23 HB2 GLN 3 2HB GLN 3 14.241 1.199 -1.752 24 HB3 GLN 3 3HB GLN 3 12.873 0.651 -0.793 25 HG2 GLN 3 2HG GLN 3 13.514 -1.251 -2.861 26 HG3 GLN 3 3HG GLN 3 14.918 -0.902 -1.854 27 HE21 GLN 3 1HE2 GLN 3 14.923 -1.515 0.279 28 HE22 GLN 3 2HE2 GLN 3 13.725 -2.556 0.962 29 H GLU 4 H GLU 4 10.580 0.199 -1.306 30 HA GLU 4 HA GLU 4 8.789 2.397 -1.578 31 HB2 GLU 4 2HB GLU 4 8.811 -0.192 -0.264 32 HB3 GLU 4 3HB GLU 4 8.079 1.041 0.752 33 HG2 GLU 4 2HG GLU 4 6.665 1.651 -1.264 34 HG3 GLU 4 3HG GLU 4 7.238 0.148 -1.984 35 H ARG 5 H ARG 5 10.524 1.198 1.303 36 HA ARG 5 HA ARG 5 11.330 2.262 3.145 37 HB2 ARG 5 2HB ARG 5 11.978 3.942 0.895 38 HB3 ARG 5 3HB ARG 5 11.672 4.930 2.317 39 HG2 ARG 5 2HG ARG 5 13.586 2.609 2.246 40 HG3 ARG 5 3HG ARG 5 14.048 4.297 2.017 41 HD2 ARG 5 2HD ARG 5 12.897 4.707 4.274 42 HD3 ARG 5 3HD ARG 5 12.970 2.957 4.476 43 HE ARG 5 HE ARG 5 15.515 3.965 3.775 44 HH11 ARG 5 1HH1 ARG 5 13.269 3.831 6.432 45 HH12 ARG 5 2HH1 ARG 5 14.499 3.941 7.647 46 HH21 ARG 5 1HH2 ARG 5 17.143 4.111 5.365 47 HH22 ARG 5 2HH2 ARG 5 16.702 4.101 7.039 48 H VAL 6 H VAL 6 10.983 4.331 4.559 49 HA VAL 6 HA VAL 6 8.111 4.998 4.482 50 HB VAL 6 HB VAL 6 9.806 4.749 6.969 51 HG11 VAL 6 1HG1 VAL 6 6.939 5.398 6.434 52 HG12 VAL 6 2HG1 VAL 6 7.393 4.597 7.939 53 HG13 VAL 6 3HG1 VAL 6 8.079 6.172 7.535 54 HG21 VAL 6 3HG2 VAL 6 9.584 2.542 6.753 55 HG22 VAL 6 1HG2 VAL 6 7.854 2.770 7.007 56 HG23 VAL 6 2HG2 VAL 6 8.506 2.720 5.369 57 H PHE 7 H PHE 7 7.500 7.091 4.905 58 HA PHE 7 HA PHE 7 9.688 9.056 4.967 59 HB2 PHE 7 2HB PHE 7 6.830 9.511 4.094 60 HB3 PHE 7 3HB PHE 7 8.190 10.611 3.892 61 HD1 PHE 7 HD2 PHE 7 10.292 9.225 2.719 62 HD2 PHE 7 HD1 PHE 7 6.125 8.587 2.129 63 HE1 PHE 7 HE2 PHE 7 10.758 8.243 0.513 64 HE2 PHE 7 HE1 PHE 7 6.585 7.602 -0.078 65 HZ PHE 7 HZ PHE 7 8.904 7.430 -0.890 66 H HIS 8 H HIS 8 9.924 10.330 6.685 67 HA HIS 8 HA HIS 8 7.649 10.662 8.521 68 HB2 HIS 8 2HB HIS 8 9.530 9.003 9.244 69 HB3 HIS 8 3HB HIS 8 10.456 10.467 9.564 70 HD1 HIS 8 HD1 HIS 8 6.779 9.900 10.295 71 HD2 HIS 8 HD2 HIS 8 10.368 10.542 12.287 72 HE1 HIS 8 HE1 HIS 8 6.163 10.181 12.717 73 H ILE 9 H ILE 9 7.984 12.523 10.045 74 HA ILE 9 HA ILE 9 8.317 14.900 8.676 75 HB ILE 9 HB ILE 9 7.138 14.855 10.776 76 HG12 ILE 9 2HG1 ILE 9 9.451 16.538 11.564 77 HG13 ILE 9 3HG1 ILE 9 8.749 16.861 9.983 78 HG21 ILE 9 1HG2 ILE 9 8.566 13.114 11.833 79 HG22 ILE 9 2HG2 ILE 9 9.779 14.357 12.137 80 HG23 ILE 9 3HG2 ILE 9 8.191 14.470 12.896 81 HD11 ILE 9 3HD1 ILE 9 7.482 18.264 11.215 82 HD12 ILE 9 1HD1 ILE 9 6.510 16.807 11.415 83 HD13 ILE 9 2HD1 ILE 9 7.635 17.297 12.682 84 H ASN 10 H ASN 10 10.676 13.099 10.597 85 HA ASN 10 HA ASN 10 12.731 15.039 10.483 86 HB2 ASN 10 2HB ASN 10 12.394 12.366 11.503 87 HB3 ASN 10 3HB ASN 10 13.933 12.493 10.657 88 HD21 ASN 10 1HD2 ASN 10 14.746 12.103 12.854 89 HD22 ASN 10 2HD2 ASN 10 14.977 13.462 13.895 90 H ASP 11 H ASP 11 12.109 12.123 8.546 91 HA ASP 11 HA ASP 11 13.026 11.386 6.583 92 HB2 ASP 11 2HB ASP 11 11.635 13.668 6.146 93 HB3 ASP 11 3HB ASP 11 13.208 14.136 5.507 94 H ARG 12 H ARG 12 15.063 10.717 7.279 95 HA ARG 12 HA ARG 12 17.267 12.554 7.432 96 HB2 ARG 12 2HB ARG 12 18.622 10.457 7.708 97 HB3 ARG 12 3HB ARG 12 17.332 10.662 8.886 98 HG2 ARG 12 2HG ARG 12 16.537 8.670 8.357 99 HG3 ARG 12 3HG ARG 12 16.269 9.214 6.700 100 HD2 ARG 12 2HD ARG 12 17.656 7.357 6.455 101 HD3 ARG 12 3HD ARG 12 18.764 8.724 6.351 102 HE ARG 12 HE ARG 12 19.743 8.047 8.314 103 HH11 ARG 12 1HH1 ARG 12 16.747 6.335 7.855 104 HH12 ARG 12 2HH1 ARG 12 17.027 5.231 9.161 105 HH21 ARG 12 1HH2 ARG 12 20.123 6.599 10.035 106 HH22 ARG 12 2HH2 ARG 12 18.947 5.382 10.401 107 H VAL 13 H VAL 13 17.911 13.476 5.580 108 HA VAL 13 HA VAL 13 18.844 11.728 3.439 109 HB VAL 13 HB VAL 13 17.838 13.331 1.736 110 HG11 VAL 13 1HG1 VAL 13 15.703 11.835 3.208 111 HG12 VAL 13 2HG1 VAL 13 15.961 11.993 1.469 112 HG13 VAL 13 3HG1 VAL 13 17.030 10.972 2.432 113 HG21 VAL 13 3HG2 VAL 13 17.236 15.114 3.295 114 HG22 VAL 13 1HG2 VAL 13 15.821 14.530 2.419 115 HG23 VAL 13 2HG2 VAL 13 16.088 14.038 4.092 116 H TRP 14 H TRP 14 19.972 13.140 1.701 117 HA TRP 14 HA TRP 14 21.501 15.245 3.088 118 HB2 TRP 14 2HB TRP 14 22.468 12.855 2.063 119 HB3 TRP 14 3HB TRP 14 22.860 14.031 0.812 120 HD1 TRP 14 HD1 TRP 14 22.982 14.586 4.644 121 HE1 TRP 14 HE1 TRP 14 25.378 15.289 5.268 122 HE3 TRP 14 HE3 TRP 14 25.185 14.123 0.054 123 HZ2 TRP 14 HZ2 TRP 14 27.872 15.605 3.984 124 HZ3 TRP 14 HZ3 TRP 14 27.580 14.646 -0.163 125 HH2 TRP 14 HH2 TRP 14 28.894 15.372 1.762 126 H LEU 15 H LEU 15 21.645 17.192 2.139 127 HA LEU 15 HA LEU 15 20.521 17.467 -0.571 128 HB2 LEU 15 2HB LEU 15 19.325 18.516 1.444 129 HB3 LEU 15 3HB LEU 15 20.654 19.673 1.459 130 HG LEU 15 HG LEU 15 19.349 19.375 -1.150 131 HD11 LEU 15 1HD1 LEU 15 17.291 20.336 -0.654 132 HD12 LEU 15 2HD1 LEU 15 17.798 20.825 0.963 133 HD13 LEU 15 3HD1 LEU 15 17.491 19.124 0.612 134 HD21 LEU 15 3HD2 LEU 15 19.487 21.809 -1.086 135 HD22 LEU 15 1HD2 LEU 15 21.033 21.077 -0.657 136 HD23 LEU 15 2HD2 LEU 15 19.995 21.746 0.602 137 H LYS 16 H LYS 16 21.812 18.225 -2.114 138 HA LYS 16 HA LYS 16 24.445 19.256 -1.344 139 HB2 LYS 16 2HB LYS 16 24.558 17.403 -2.860 140 HB3 LYS 16 3HB LYS 16 23.379 18.138 -3.938 141 HG2 LYS 16 2HG LYS 16 25.579 18.338 -4.886 142 HG3 LYS 16 3HG LYS 16 24.988 19.937 -4.429 143 HD2 LYS 16 2HD LYS 16 27.284 19.762 -3.760 144 HD3 LYS 16 3HD LYS 16 26.282 19.735 -2.308 145 HE2 LYS 16 2HE LYS 16 27.112 17.759 -1.722 146 HE3 LYS 16 3HE LYS 16 26.649 17.064 -3.274 147 HZ1 LYS 16 3HZ LYS 16 29.140 17.164 -2.534 148 HZ2 LYS 16 1HZ LYS 16 29.053 18.736 -3.156 149 HZ3 LYS 16 2HZ LYS 16 28.709 17.412 -4.152 150 H THR 17 H THR 17 24.583 21.392 -1.196 151 HA THR 17 HA THR 17 22.772 23.248 -2.200 152 HB THR 17 HB THR 17 25.669 23.949 -1.816 153 HG1 THR 17 HG1 THR 17 23.773 23.146 0.125 154 HG21 THR 17 3HG2 THR 17 24.929 26.064 -1.455 155 HG22 THR 17 1HG2 THR 17 23.447 25.527 -0.664 156 HG23 THR 17 2HG2 THR 17 23.565 25.506 -2.424 157 H GLY 18 H GLY 18 25.764 22.004 -3.617 158 HA2 GLY 18 2HA GLY 18 25.921 21.750 -6.011 159 HA3 GLY 18 3HA GLY 18 24.923 23.186 -6.182 160 H ALA 19 H ALA 19 27.746 22.724 -4.097 161 HA ALA 19 HA ALA 19 29.651 23.948 -5.733 162 HB1 ALA 19 1HB ALA 19 28.026 25.817 -4.060 163 HB2 ALA 19 2HB ALA 19 29.726 26.164 -4.381 164 HB3 ALA 19 3HB ALA 19 28.591 26.002 -5.721 165 H ASN 20 H ASN 20 29.889 21.812 -4.177 166 HA ASN 20 HA ASN 20 31.251 20.844 -2.632 167 HB2 ASN 20 2HB ASN 20 32.472 23.421 -3.166 168 HB3 ASN 20 3HB ASN 20 32.763 22.907 -1.506 169 HD21 ASN 20 1HD2 ASN 20 33.412 20.533 -1.335 170 HD22 ASN 20 2HD2 ASN 20 34.598 19.993 -2.469 171 H THR 21 H THR 21 28.729 22.527 -1.966 172 HA THR 21 HA THR 21 29.126 22.480 0.956 173 HB THR 21 HB THR 21 26.936 24.173 -0.067 174 HG1 THR 21 HG1 THR 21 28.271 25.787 -0.804 175 HG21 THR 21 3HG2 THR 21 28.394 23.837 2.305 176 HG22 THR 21 1HG2 THR 21 27.139 25.032 1.981 177 HG23 THR 21 2HG2 THR 21 28.833 25.432 1.695 178 H TRP 22 H TRP 22 27.861 21.117 2.034 179 HA TRP 22 HA TRP 22 25.318 20.281 0.814 180 HB2 TRP 22 2HB TRP 22 25.832 17.993 1.909 181 HB3 TRP 22 3HB TRP 22 26.644 18.400 0.400 182 HD1 TRP 22 HD1 TRP 22 27.386 18.457 4.206 183 HE1 TRP 22 HE1 TRP 22 29.903 18.026 4.527 184 HE3 TRP 22 HE3 TRP 22 28.817 18.311 -0.700 185 HZ2 TRP 22 HZ2 TRP 22 32.193 17.672 2.915 186 HZ3 TRP 22 HZ3 TRP 22 31.190 17.922 -1.225 187 HH2 TRP 22 HH2 TRP 22 32.841 17.610 0.546 188 H TRP 23 H TRP 23 23.612 20.387 2.135 189 HA TRP 23 HA TRP 23 24.098 20.525 5.036 190 HB2 TRP 23 2HB TRP 23 22.900 22.519 3.292 191 HB3 TRP 23 3HB TRP 23 21.800 22.036 4.582 192 HD1 TRP 23 HD1 TRP 23 25.630 22.374 4.950 193 HE1 TRP 23 HE1 TRP 23 26.107 24.167 6.734 194 HE3 TRP 23 HE3 TRP 23 20.846 23.963 5.805 195 HZ2 TRP 23 HZ2 TRP 23 24.649 26.010 8.297 196 HZ3 TRP 23 HZ3 TRP 23 20.474 25.744 7.461 197 HH2 TRP 23 HH2 TRP 23 22.337 26.745 8.680 198 HA PRO 24 HA PRO 24 20.990 17.458 5.486 199 HB2 PRO 24 2HB PRO 24 19.925 18.137 7.889 200 HB3 PRO 24 3HB PRO 24 21.528 17.412 7.720 201 HG2 PRO 24 2HG PRO 24 20.779 20.286 8.093 202 HG3 PRO 24 3HG PRO 24 22.083 19.361 8.860 203 HD2 PRO 24 2HD PRO 24 22.515 21.036 6.777 204 HD3 PRO 24 3HD PRO 24 23.471 19.562 7.031 205 H ALA 25 H ALA 25 18.907 17.124 4.914 206 HA ALA 25 HA ALA 25 17.085 19.440 4.924 207 HB1 ALA 25 1HB ALA 25 16.162 18.071 2.805 208 HB2 ALA 25 2HB ALA 25 17.356 19.364 2.683 209 HB3 ALA 25 3HB ALA 25 17.879 17.680 2.693 210 H LYS 26 H LYS 26 15.093 19.091 5.717 211 HA LYS 26 HA LYS 26 14.263 16.308 6.205 212 HB2 LYS 26 2HB LYS 26 13.382 16.922 8.365 213 HB3 LYS 26 3HB LYS 26 15.075 17.392 8.289 214 HG2 LYS 26 2HG LYS 26 14.267 19.300 9.173 215 HG3 LYS 26 3HG LYS 26 13.960 19.682 7.478 216 HD2 LYS 26 2HD LYS 26 11.764 19.760 7.837 217 HD3 LYS 26 3HD LYS 26 11.781 18.154 8.569 218 HE2 LYS 26 2HE LYS 26 12.638 19.296 10.673 219 HE3 LYS 26 3HE LYS 26 12.198 20.818 9.900 220 HZ1 LYS 26 3HZ LYS 26 10.058 20.485 10.343 221 HZ2 LYS 26 1HZ LYS 26 10.549 19.248 11.388 222 HZ3 LYS 26 2HZ LYS 26 10.092 18.882 9.801 223 H VAL 27 H VAL 27 12.238 15.809 5.608 224 HA VAL 27 HA VAL 27 10.618 17.922 4.411 225 HB VAL 27 HB VAL 27 10.094 14.950 4.372 226 HG11 VAL 27 1HG1 VAL 27 8.687 17.266 3.383 227 HG12 VAL 27 2HG1 VAL 27 9.117 16.174 2.066 228 HG13 VAL 27 3HG1 VAL 27 8.177 15.579 3.435 229 HG21 VAL 27 3HG2 VAL 27 12.012 14.874 3.185 230 HG22 VAL 27 1HG2 VAL 27 10.993 15.502 1.889 231 HG23 VAL 27 2HG2 VAL 27 11.991 16.604 2.839 232 H THR 28 H THR 28 9.012 18.835 5.491 233 HA THR 28 HA THR 28 8.093 17.721 7.993 234 HB THR 28 HB THR 28 8.404 20.108 7.914 235 HG1 THR 28 HG1 THR 28 6.719 20.188 9.178 236 HG21 THR 28 3HG2 THR 28 6.705 19.898 5.472 237 HG22 THR 28 1HG2 THR 28 8.164 20.849 5.750 238 HG23 THR 28 2HG2 THR 28 6.626 21.372 6.437 239 H SER 29 H SER 29 7.277 17.228 4.822 240 HA SER 29 HA SER 29 5.534 16.198 3.783 241 HB2 SER 29 2HB SER 29 5.729 14.837 6.025 242 HB3 SER 29 3HB SER 29 4.204 15.636 6.409 243 HG SER 29 HG SER 29 3.308 14.175 5.211 244 H VAL 30 H VAL 30 5.338 18.880 3.854 245 HA VAL 30 HA VAL 30 2.500 19.394 4.465 246 HB VAL 30 HB VAL 30 4.776 21.376 4.324 247 HG11 VAL 30 1HG1 VAL 30 1.935 21.721 4.044 248 HG12 VAL 30 2HG1 VAL 30 2.519 22.552 5.487 249 HG13 VAL 30 3HG1 VAL 30 3.226 22.915 3.912 250 HG21 VAL 30 3HG2 VAL 30 4.536 21.623 6.680 251 HG22 VAL 30 1HG2 VAL 30 3.091 20.612 6.700 252 HG23 VAL 30 2HG2 VAL 30 4.664 19.895 6.351 253 H THR 31 H THR 31 1.292 19.366 2.695 254 HA THR 31 HA THR 31 2.354 19.625 0.068 255 HB THR 31 HB THR 31 0.387 18.249 0.459 256 HG1 THR 31 HG1 THR 31 0.281 18.916 -1.592 257 HG21 THR 31 3HG2 THR 31 -0.490 20.483 1.969 258 HG22 THR 31 1HG2 THR 31 -1.274 18.915 1.784 259 HG23 THR 31 2HG2 THR 31 -1.654 20.228 0.668 260 H GLY 32 H GLY 32 1.394 21.192 -1.541 261 HA2 GLY 32 2HA GLY 32 1.038 23.855 -0.313 262 HA3 GLY 32 3HA GLY 32 2.131 23.609 -1.667 263 H VAL 33 H VAL 33 -1.186 22.495 -0.993 264 HA VAL 33 HA VAL 33 -2.361 24.189 -2.958 265 HB VAL 33 HB VAL 33 -1.345 22.704 -4.552 266 HG11 VAL 33 1HG1 VAL 33 -2.742 20.392 -3.223 267 HG12 VAL 33 2HG1 VAL 33 -1.561 20.339 -4.534 268 HG13 VAL 33 3HG1 VAL 33 -1.059 20.816 -2.912 269 HG21 VAL 33 3HG2 VAL 33 -3.914 21.456 -4.852 270 HG22 VAL 33 1HG2 VAL 33 -4.107 23.129 -4.330 271 HG23 VAL 33 2HG2 VAL 33 -3.190 22.761 -5.791 272 H GLU 34 H GLU 34 -2.650 21.097 -1.239 273 HA GLU 34 HA GLU 34 -4.836 21.805 0.304 274 HB2 GLU 34 2HB GLU 34 -6.603 20.391 -0.908 275 HB3 GLU 34 3HB GLU 34 -6.266 21.995 -1.543 276 HG2 GLU 34 2HG GLU 34 -5.389 21.206 -3.462 277 HG3 GLU 34 3HG GLU 34 -4.678 19.792 -2.686 278 H GLY 35 H GLY 35 -3.114 19.292 -1.410 279 HA2 GLY 35 2HA GLY 35 -2.126 17.687 0.326 280 HA3 GLY 35 3HA GLY 35 -3.810 17.373 0.717 281 H VAL 36 H VAL 36 -2.503 17.894 -2.514 282 HA VAL 36 HA VAL 36 -3.657 15.389 -3.387 283 HB VAL 36 HB VAL 36 -1.992 17.220 -5.096 284 HG11 VAL 36 1HG1 VAL 36 -2.508 15.236 -6.233 285 HG12 VAL 36 2HG1 VAL 36 -4.152 15.194 -5.594 286 HG13 VAL 36 3HG1 VAL 36 -3.705 16.399 -6.801 287 HG21 VAL 36 3HG2 VAL 36 -3.434 18.853 -4.508 288 HG22 VAL 36 1HG2 VAL 36 -4.513 18.024 -5.629 289 HG23 VAL 36 2HG2 VAL 36 -4.637 17.718 -3.897 290 H ASP 37 H ASP 37 -0.919 16.025 -1.816 291 HA ASP 37 HA ASP 37 1.167 14.912 -3.285 292 HB2 ASP 37 2HB ASP 37 1.338 16.091 -1.060 293 HB3 ASP 37 3HB ASP 37 0.788 14.598 -0.304 294 H GLY 38 H GLY 38 -1.566 13.406 -1.813 295 HA2 GLY 38 2HA GLY 38 -0.364 10.751 -1.880 296 HA3 GLY 38 3HA GLY 38 -1.975 11.152 -1.301 297 H ARG 39 H ARG 39 -2.068 12.768 -4.001 298 HA ARG 39 HA ARG 39 -2.989 10.462 -5.581 299 HB2 ARG 39 2HB ARG 39 -3.855 13.291 -6.087 300 HB3 ARG 39 3HB ARG 39 -4.675 11.793 -6.506 301 HG2 ARG 39 2HG ARG 39 -5.191 11.404 -4.158 302 HG3 ARG 39 3HG ARG 39 -4.345 12.890 -3.722 303 HD2 ARG 39 2HD ARG 39 -6.135 14.124 -4.191 304 HD3 ARG 39 3HD ARG 39 -6.286 13.392 -5.788 305 HE ARG 39 HE ARG 39 -7.770 12.712 -3.418 306 HH11 ARG 39 1HH1 ARG 39 -6.662 11.611 -6.529 307 HH12 ARG 39 2HH1 ARG 39 -7.915 10.427 -6.702 308 HH21 ARG 39 1HH2 ARG 39 -9.424 11.157 -3.633 309 HH22 ARG 39 2HH2 ARG 39 -9.486 10.170 -5.054 310 H SER 40 H SER 40 -0.271 11.832 -5.399 311 HA SER 40 HA SER 40 1.460 12.252 -6.815 312 HB2 SER 40 2HB SER 40 -0.318 10.572 -8.302 313 HB3 SER 40 3HB SER 40 0.363 11.777 -9.394 314 HG SER 40 HG SER 40 1.563 9.687 -8.909 315 H SER 41 H SER 41 2.255 13.856 -8.259 316 HA SER 41 HA SER 41 0.784 16.282 -8.183 317 HB2 SER 41 2HB SER 41 3.406 15.751 -8.339 318 HB3 SER 41 3HB SER 41 3.086 16.029 -10.051 319 HG SER 41 HG SER 41 3.539 18.005 -9.236 320 H GLU 42 H GLU 42 0.912 13.693 -10.415 321 HA GLU 42 HA GLU 42 0.377 14.967 -12.837 322 HB2 GLU 42 2HB GLU 42 -0.371 12.862 -13.643 323 HB3 GLU 42 3HB GLU 42 0.900 12.523 -12.477 324 HG2 GLU 42 2HG GLU 42 -1.102 12.312 -10.809 325 HG3 GLU 42 3HG GLU 42 -2.030 12.041 -12.282 326 H THR 43 H THR 43 -1.611 14.522 -10.064 327 HA THR 43 HA THR 43 -4.139 14.786 -11.366 328 HB THR 43 HB THR 43 -3.392 15.228 -8.469 329 HG1 THR 43 HG1 THR 43 -3.100 13.071 -9.233 330 HG21 THR 43 3HG2 THR 43 -5.433 16.142 -8.312 331 HG22 THR 43 1HG2 THR 43 -6.049 14.509 -8.566 332 HG23 THR 43 2HG2 THR 43 -5.887 15.613 -9.932 333 H GLY 44 H GLY 44 -2.144 17.026 -9.436 334 HA2 GLY 44 2HA GLY 44 -3.231 19.249 -10.993 335 HA3 GLY 44 3HA GLY 44 -3.494 19.286 -9.255 336 H THR 45 H THR 45 -1.886 19.961 -7.930 337 HA THR 45 HA THR 45 0.804 20.301 -9.034 338 HB THR 45 HB THR 45 0.799 22.614 -7.835 339 HG1 THR 45 HG1 THR 45 -1.964 22.385 -8.494 340 HG21 THR 45 3HG2 THR 45 1.003 22.146 -10.305 341 HG22 THR 45 1HG2 THR 45 0.302 23.709 -9.890 342 HG23 THR 45 2HG2 THR 45 -0.740 22.388 -10.417 343 H SER 46 H SER 46 0.388 18.328 -7.356 344 HA SER 46 HA SER 46 0.441 18.948 -4.600 345 HB2 SER 46 2HB SER 46 1.005 16.638 -4.251 346 HB3 SER 46 3HB SER 46 -0.131 16.707 -5.597 347 HG SER 46 HG SER 46 2.624 16.166 -5.613 348 H THR 47 H THR 47 1.965 20.252 -3.794 349 HA THR 47 HA THR 47 4.777 19.660 -4.455 350 HB THR 47 HB THR 47 5.355 21.943 -4.228 351 HG1 THR 47 HG1 THR 47 2.700 22.598 -3.467 352 HG21 THR 47 3HG2 THR 47 2.826 22.576 -5.550 353 HG22 THR 47 1HG2 THR 47 3.593 21.111 -6.164 354 HG23 THR 47 2HG2 THR 47 4.475 22.638 -6.172 355 H VAL 48 H VAL 48 6.010 19.000 -2.823 356 HA VAL 48 HA VAL 48 4.957 19.182 -0.100 357 HB VAL 48 HB VAL 48 7.298 17.588 -1.152 358 HG11 VAL 48 1HG1 VAL 48 7.528 18.142 1.212 359 HG12 VAL 48 2HG1 VAL 48 5.913 17.505 1.527 360 HG13 VAL 48 3HG1 VAL 48 7.201 16.423 0.996 361 HG21 VAL 48 3HG2 VAL 48 5.733 15.651 -0.745 362 HG22 VAL 48 1HG2 VAL 48 4.438 16.839 -0.588 363 HG23 VAL 48 2HG2 VAL 48 5.320 16.691 -2.108 364 H THR 49 H THR 49 5.560 20.902 1.034 365 HA THR 49 HA THR 49 8.032 22.294 0.448 366 HB THR 49 HB THR 49 6.028 22.906 2.625 367 HG1 THR 49 HG1 THR 49 4.784 23.550 1.049 368 HG21 THR 49 3HG2 THR 49 8.077 24.049 3.033 369 HG22 THR 49 1HG2 THR 49 6.975 25.224 2.316 370 HG23 THR 49 2HG2 THR 49 8.244 24.491 1.334 371 H VAL 50 H VAL 50 9.896 22.005 1.477 372 HA VAL 50 HA VAL 50 9.861 20.580 4.059 373 HB VAL 50 HB VAL 50 11.917 19.526 3.536 374 HG11 VAL 50 1HG1 VAL 50 10.409 19.420 0.938 375 HG12 VAL 50 2HG1 VAL 50 11.335 18.138 1.721 376 HG13 VAL 50 3HG1 VAL 50 9.806 18.674 2.417 377 HG21 VAL 50 3HG2 VAL 50 13.202 21.220 2.535 378 HG22 VAL 50 1HG2 VAL 50 13.024 19.988 1.286 379 HG23 VAL 50 2HG2 VAL 50 12.037 21.449 1.230 380 H LEU 51 H LEU 51 11.275 21.258 5.676 381 HA LEU 51 HA LEU 51 12.779 23.728 5.187 382 HB2 LEU 51 2HB LEU 51 10.539 24.239 6.167 383 HB3 LEU 51 3HB LEU 51 11.005 23.301 7.584 384 HG LEU 51 HG LEU 51 12.950 24.941 7.817 385 HD11 LEU 51 1HD1 LEU 51 13.219 26.445 6.211 386 HD12 LEU 51 2HD1 LEU 51 11.693 27.181 6.700 387 HD13 LEU 51 3HD1 LEU 51 11.713 25.954 5.434 388 HD21 LEU 51 3HD2 LEU 51 10.085 25.786 8.209 389 HD22 LEU 51 1HD2 LEU 51 11.467 26.648 8.886 390 HD23 LEU 51 2HD2 LEU 51 11.142 24.984 9.372 391 H THR 52 H THR 52 14.819 23.227 5.623 392 HA THR 52 HA THR 52 15.596 21.079 7.309 393 HB THR 52 HB THR 52 17.820 21.612 6.794 394 HG1 THR 52 HG1 THR 52 18.402 23.624 7.052 395 HG21 THR 52 3HG2 THR 52 16.631 22.905 4.392 396 HG22 THR 52 1HG2 THR 52 16.111 21.270 4.798 397 HG23 THR 52 2HG2 THR 52 17.817 21.605 4.504 398 H TYR 53 H TYR 53 17.655 21.891 8.841 399 HA TYR 53 HA TYR 53 16.299 23.429 10.933 400 HB2 TYR 53 2HB TYR 53 18.755 21.669 11.091 401 HB3 TYR 53 3HB TYR 53 17.975 22.463 12.456 402 HD1 TYR 53 HD1 TYR 53 15.818 21.670 13.290 403 HD2 TYR 53 HD2 TYR 53 17.792 19.699 10.078 404 HE1 TYR 53 HE1 TYR 53 14.344 19.724 13.586 405 HE2 TYR 53 HE2 TYR 53 16.323 17.748 10.364 406 HH TYR 53 HH TYR 53 13.686 17.764 12.726 407 HA PRO 54 HA PRO 54 18.901 26.938 10.463 408 HB2 PRO 54 2HB PRO 54 18.923 27.866 13.014 409 HB3 PRO 54 3HB PRO 54 17.513 27.996 11.957 410 HG2 PRO 54 2HG PRO 54 18.088 25.997 14.109 411 HG3 PRO 54 3HG PRO 54 16.573 26.844 13.745 412 HD2 PRO 54 2HD PRO 54 17.035 24.290 12.974 413 HD3 PRO 54 3HD PRO 54 16.037 25.409 12.023 414 H GLY 55 H GLY 55 21.039 26.974 10.198 415 HA2 GLY 55 2HA GLY 55 22.759 25.285 11.787 416 HA3 GLY 55 3HA GLY 55 23.247 26.300 10.439 417 H THR 56 H THR 56 24.963 27.333 11.328 418 HA THR 56 HA THR 56 24.575 28.721 13.885 419 HB THR 56 HB THR 56 26.563 27.295 13.750 420 HG1 THR 56 HG1 THR 56 26.943 28.990 15.070 421 HG21 THR 56 3HG2 THR 56 28.398 27.831 12.242 422 HG22 THR 56 1HG2 THR 56 27.457 29.142 11.533 423 HG23 THR 56 2HG2 THR 56 26.939 27.469 11.322 424 H GLN 57 H GLN 57 25.358 29.252 10.501 425 HA GLN 57 HA GLN 57 25.167 32.154 10.976 426 HB2 GLN 57 2HB GLN 57 27.176 30.601 9.601 427 HB3 GLN 57 3HB GLN 57 26.432 31.754 8.501 428 HG2 GLN 57 2HG GLN 57 26.978 33.067 10.967 429 HG3 GLN 57 3HG GLN 57 28.427 32.213 10.439 430 HE21 GLN 57 1HE2 GLN 57 26.794 35.051 10.245 431 HE22 GLN 57 2HE2 GLN 57 27.461 35.673 8.779 432 H ASN 58 H ASN 58 24.158 29.426 9.065 433 HA ASN 58 HA ASN 58 22.477 31.168 7.402 434 HB2 ASN 58 2HB ASN 58 24.068 29.015 6.708 435 HB3 ASN 58 3HB ASN 58 22.451 28.318 6.750 436 HD21 ASN 58 1HD2 ASN 58 24.206 28.792 4.484 437 HD22 ASN 58 2HD2 ASN 58 23.330 29.814 3.400 438 H LYS 59 H LYS 59 20.264 30.898 7.288 439 HA LYS 59 HA LYS 59 19.088 29.393 9.514 440 HB2 LYS 59 2HB LYS 59 18.698 31.975 8.818 441 HB3 LYS 59 3HB LYS 59 17.399 31.218 7.906 442 HG2 LYS 59 2HG LYS 59 16.358 31.724 9.890 443 HG3 LYS 59 3HG LYS 59 16.847 30.049 10.157 444 HD2 LYS 59 2HD LYS 59 18.831 30.824 11.366 445 HD3 LYS 59 3HD LYS 59 18.343 32.499 11.096 446 HE2 LYS 59 2HE LYS 59 16.111 31.241 12.213 447 HE3 LYS 59 3HE LYS 59 17.491 30.639 13.128 448 HZ1 LYS 59 3HZ LYS 59 16.543 33.414 12.831 449 HZ2 LYS 59 1HZ LYS 59 18.155 33.101 13.239 450 HZ3 LYS 59 2HZ LYS 59 16.907 32.559 14.244 451 H ALA 60 H ALA 60 17.064 28.250 9.155 452 HA ALA 60 HA ALA 60 17.202 26.486 6.960 453 HB1 ALA 60 1HB ALA 60 15.058 25.612 7.773 454 HB2 ALA 60 2HB ALA 60 16.224 25.821 9.081 455 HB3 ALA 60 3HB ALA 60 14.920 26.989 8.867 456 H THR 61 H THR 61 16.130 26.402 5.045 457 HA THR 61 HA THR 61 14.516 28.763 4.341 458 HB THR 61 HB THR 61 15.518 27.107 2.127 459 HG1 THR 61 HG1 THR 61 17.547 27.146 2.696 460 HG21 THR 61 3HG2 THR 61 15.708 30.063 2.714 461 HG22 THR 61 1HG2 THR 61 14.386 29.285 1.847 462 HG23 THR 61 2HG2 THR 61 16.012 29.282 1.163 463 H TYR 62 H TYR 62 12.583 28.512 3.238 464 HA TYR 62 HA TYR 62 11.482 25.782 3.273 465 HB2 TYR 62 2HB TYR 62 9.245 27.028 3.276 466 HB3 TYR 62 3HB TYR 62 10.200 27.096 4.753 467 HD1 TYR 62 HD1 TYR 62 11.355 29.171 5.391 468 HD2 TYR 62 HD2 TYR 62 8.841 29.001 1.963 469 HE1 TYR 62 HE1 TYR 62 11.274 31.628 5.337 470 HE2 TYR 62 HE2 TYR 62 8.754 31.458 1.898 471 HH TYR 62 HH TYR 62 10.678 33.398 3.034 472 H LYS 63 H LYS 63 11.247 24.863 1.358 473 HA LYS 63 HA LYS 63 10.442 26.519 -0.930 474 HB2 LYS 63 2HB LYS 63 12.884 26.102 -1.049 475 HB3 LYS 63 3HB LYS 63 12.570 24.372 -1.029 476 HG2 LYS 63 2HG LYS 63 11.398 24.527 -3.141 477 HG3 LYS 63 3HG LYS 63 11.608 26.280 -3.152 478 HD2 LYS 63 2HD LYS 63 14.151 25.648 -2.922 479 HD3 LYS 63 3HD LYS 63 13.609 24.118 -3.616 480 HE2 LYS 63 2HE LYS 63 13.872 25.120 -5.598 481 HE3 LYS 63 3HE LYS 63 12.376 25.971 -5.218 482 HZ1 LYS 63 3HZ LYS 63 13.730 27.744 -4.218 483 HZ2 LYS 63 1HZ LYS 63 14.054 27.538 -5.866 484 HZ3 LYS 63 2HZ LYS 63 15.135 26.942 -4.710 485 H ASN 64 H ASN 64 9.035 25.564 -2.353 486 HA ASN 64 HA ASN 64 7.896 23.011 -1.474 487 HB2 ASN 64 2HB ASN 64 5.929 23.637 -2.793 488 HB3 ASN 64 3HB ASN 64 6.352 24.918 -1.660 489 HD21 ASN 64 1HD2 ASN 64 6.013 24.014 -4.950 490 HD22 ASN 64 2HD2 ASN 64 6.359 25.560 -5.641 491 H VAL 65 H VAL 65 8.282 21.211 -2.572 492 HA VAL 65 HA VAL 65 8.665 21.295 -5.456 493 HB VAL 65 HB VAL 65 10.715 19.929 -5.368 494 HG11 VAL 65 1HG1 VAL 65 12.256 21.738 -4.704 495 HG12 VAL 65 2HG1 VAL 65 10.923 22.316 -5.705 496 HG13 VAL 65 3HG1 VAL 65 10.902 22.591 -3.963 497 HG21 VAL 65 3HG2 VAL 65 10.872 18.836 -3.373 498 HG22 VAL 65 1HG2 VAL 65 11.924 20.208 -3.024 499 HG23 VAL 65 2HG2 VAL 65 10.257 20.205 -2.447 500 H ASP 66 H ASP 66 8.480 19.217 -6.467 501 HA ASP 66 HA ASP 66 6.462 17.602 -5.428 502 HB2 ASP 66 2HB ASP 66 6.817 17.576 -7.778 503 HB3 ASP 66 3HB ASP 66 8.506 17.110 -7.592 504 H SER 67 H SER 67 9.935 17.402 -5.096 505 HA SER 67 HA SER 67 9.858 15.807 -2.807 506 HB2 SER 67 2HB SER 67 9.994 13.653 -3.480 507 HB3 SER 67 3HB SER 67 9.312 14.244 -4.995 508 HG SER 67 HG SER 67 11.211 13.041 -5.356 509 H HIS 68 H HIS 68 11.673 16.648 -5.710 510 HA HIS 68 HA HIS 68 13.796 17.405 -6.017 511 HB2 HIS 68 2HB HIS 68 13.005 18.382 -3.451 512 HB3 HIS 68 3HB HIS 68 14.702 17.918 -3.370 513 HD1 HIS 68 HD1 HIS 68 13.051 19.417 -6.416 514 HD2 HIS 68 HD2 HIS 68 15.776 20.446 -3.453 515 HE1 HIS 68 HE1 HIS 68 14.015 21.628 -7.127 516 H SER 69 H SER 69 13.176 14.572 -5.242 517 HA SER 69 HA SER 69 15.300 13.544 -3.689 518 HB2 SER 69 2HB SER 69 13.160 12.338 -4.218 519 HB3 SER 69 3HB SER 69 13.768 12.086 -5.854 520 HG SER 69 HG SER 69 14.705 11.018 -3.424 521 H SER 70 H SER 70 15.129 14.653 -6.929 522 HA SER 70 HA SER 70 17.397 13.153 -7.883 523 HB2 SER 70 2HB SER 70 15.334 14.698 -9.059 524 HB3 SER 70 3HB SER 70 16.860 15.465 -9.498 525 HG SER 70 HG SER 70 17.565 13.460 -10.299 526 H ALA 71 H ALA 71 17.059 15.743 -5.843 527 HA ALA 71 HA ALA 71 19.721 16.796 -6.552 528 HB1 ALA 71 1HB ALA 71 18.835 18.816 -5.133 529 HB2 ALA 71 2HB ALA 71 18.397 18.648 -6.833 530 HB3 ALA 71 3HB ALA 71 17.259 18.162 -5.577 531 H ILE 72 H ILE 72 17.826 15.222 -4.197 532 HA ILE 72 HA ILE 72 19.986 15.553 -2.220 533 HB ILE 72 HB ILE 72 18.295 15.207 -0.441 534 HG12 ILE 72 2HG1 ILE 72 15.925 15.977 -1.731 535 HG13 ILE 72 3HG1 ILE 72 16.610 14.708 -2.740 536 HG21 ILE 72 1HG2 ILE 72 17.157 17.549 -1.744 537 HG22 ILE 72 2HG2 ILE 72 18.085 17.422 -0.251 538 HG23 ILE 72 3HG2 ILE 72 18.919 17.511 -1.803 539 HD11 ILE 72 3HD1 ILE 72 15.096 13.754 -1.138 540 HD12 ILE 72 1HD1 ILE 72 16.744 13.253 -0.759 541 HD13 ILE 72 2HD1 ILE 72 15.966 14.519 0.191 542 H THR 73 H THR 73 20.783 13.740 -1.282 543 HA THR 73 HA THR 73 19.890 11.193 -2.395 544 HB THR 73 HB THR 73 21.964 10.286 -1.305 545 HG1 THR 73 HG1 THR 73 23.493 12.059 -0.733 546 HG21 THR 73 3HG2 THR 73 22.732 12.607 -3.032 547 HG22 THR 73 1HG2 THR 73 21.743 11.305 -3.693 548 HG23 THR 73 2HG2 THR 73 23.345 10.953 -3.044 549 H PHE 74 H PHE 74 20.185 9.284 -0.765 550 HA PHE 74 HA PHE 74 18.716 9.998 1.687 551 HB2 PHE 74 2HB PHE 74 17.643 8.507 -0.179 552 HB3 PHE 74 3HB PHE 74 18.657 7.242 0.508 553 HD1 PHE 74 HD1 PHE 74 18.462 6.881 3.065 554 HD2 PHE 74 HD2 PHE 74 15.556 8.919 0.715 555 HE1 PHE 74 HE1 PHE 74 16.772 6.471 4.805 556 HE2 PHE 74 HE2 PHE 74 13.862 8.513 2.452 557 HZ PHE 74 HZ PHE 74 14.468 7.288 4.501 558 H PHE 75 H PHE 75 20.710 10.342 2.803 559 HA PHE 75 HA PHE 75 21.616 8.090 4.233 560 HB2 PHE 75 2HB PHE 75 22.842 8.217 1.789 561 HB3 PHE 75 3HB PHE 75 23.972 9.112 2.800 562 HD1 PHE 75 HD1 PHE 75 21.901 6.026 3.181 563 HD2 PHE 75 HD2 PHE 75 25.728 7.854 3.544 564 HE1 PHE 75 HE1 PHE 75 22.832 3.905 4.010 565 HE2 PHE 75 HE2 PHE 75 26.665 5.735 4.372 566 HZ PHE 75 HZ PHE 75 25.217 3.756 4.605 567 H GLU 76 H GLU 76 24.057 8.873 5.140 568 HA GLU 76 HA GLU 76 23.587 11.602 6.146 569 HB2 GLU 76 2HB GLU 76 24.822 10.722 8.237 570 HB3 GLU 76 3HB GLU 76 23.136 10.280 8.013 571 HG2 GLU 76 2HG GLU 76 23.601 8.101 7.773 572 HG3 GLU 76 3HG GLU 76 25.068 8.408 6.845 573 HA PRO 77 HA PRO 77 27.662 12.678 4.930 574 HB2 PRO 77 2HB PRO 77 28.409 14.368 6.919 575 HB3 PRO 77 3HB PRO 77 27.213 14.799 5.690 576 HG2 PRO 77 2HG PRO 77 26.788 13.845 8.496 577 HG3 PRO 77 3HG PRO 77 25.957 15.142 7.617 578 HD2 PRO 77 2HD PRO 77 24.880 12.679 7.940 579 HD3 PRO 77 3HD PRO 77 24.577 13.673 6.500 580 H SER 78 H SER 78 29.961 13.016 5.974 581 HA SER 78 HA SER 78 30.505 10.591 7.540 582 HB2 SER 78 2HB SER 78 32.895 11.811 6.523 583 HB3 SER 78 3HB SER 78 32.200 10.241 6.119 584 HG SER 78 HG SER 78 31.066 11.163 4.474 585 H SER 79 H SER 79 30.321 13.927 7.840 586 HA SER 79 HA SER 79 30.776 15.339 9.570 587 HB2 SER 79 2HB SER 79 30.843 12.728 10.770 588 HB3 SER 79 3HB SER 79 32.095 13.737 11.494 589 HG SER 79 HG SER 79 29.322 14.017 11.546 590 H GLU 80 H GLU 80 33.423 13.025 10.075 591 HA GLU 80 HA GLU 80 35.414 14.970 10.311 592 HB2 GLU 80 2HB GLU 80 35.302 12.272 10.685 593 HB3 GLU 80 3HB GLU 80 36.286 12.371 9.231 594 HG2 GLU 80 2HG GLU 80 37.741 14.013 10.460 595 HG3 GLU 80 3HG GLU 80 36.843 13.593 11.917 596 H LYS 81 H LYS 81 34.255 13.184 7.503 597 HA LYS 81 HA LYS 81 36.271 14.159 5.728 598 HB2 LYS 81 2HB LYS 81 34.735 12.058 5.523 599 HB3 LYS 81 3HB LYS 81 33.590 13.182 4.804 600 HG2 LYS 81 2HG LYS 81 35.697 13.815 3.333 601 HG3 LYS 81 3HG LYS 81 36.172 12.169 3.759 602 HD2 LYS 81 2HD LYS 81 34.127 11.289 2.840 603 HD3 LYS 81 3HD LYS 81 33.511 12.918 2.550 604 HE2 LYS 81 2HE LYS 81 34.310 12.044 0.472 605 HE3 LYS 81 3HE LYS 81 35.435 13.292 1.008 606 HZ1 LYS 81 3HZ LYS 81 36.100 10.631 1.902 607 HZ2 LYS 81 1HZ LYS 81 37.086 11.820 1.211 608 HZ3 LYS 81 2HZ LYS 81 36.145 10.821 0.222 609 H ALA 82 H ALA 82 33.479 15.524 7.073 610 HA ALA 82 HA ALA 82 33.188 17.463 4.891 611 HB1 ALA 82 1HB ALA 82 31.195 18.190 6.409 612 HB2 ALA 82 2HB ALA 82 31.066 16.738 5.415 613 HB3 ALA 82 3HB ALA 82 31.423 16.600 7.137 614 H VAL 83 H VAL 83 34.579 17.095 7.974 615 HA VAL 83 HA VAL 83 34.443 19.835 8.801 616 HB VAL 83 HB VAL 83 36.210 17.574 9.746 617 HG11 VAL 83 1HG1 VAL 83 36.327 19.202 11.798 618 HG12 VAL 83 2HG1 VAL 83 37.429 19.397 10.433 619 HG13 VAL 83 3HG1 VAL 83 36.007 20.431 10.575 620 HG21 VAL 83 3HG2 VAL 83 34.517 16.934 11.044 621 HG22 VAL 83 1HG2 VAL 83 34.254 18.582 11.615 622 HG23 VAL 83 2HG2 VAL 83 33.488 18.033 10.125 623 H THR 84 H THR 84 35.750 21.474 8.291 624 HA THR 84 HA THR 84 38.476 21.090 7.481 625 HB THR 84 HB THR 84 36.724 22.371 5.398 626 HG1 THR 84 HG1 THR 84 35.976 20.301 5.378 627 HG21 THR 84 3HG2 THR 84 39.261 22.689 5.531 628 HG22 THR 84 1HG2 THR 84 38.593 22.166 3.985 629 HG23 THR 84 2HG2 THR 84 39.376 20.997 5.049 630 H ALA 85 H ALA 85 35.852 23.466 7.006 631 HA ALA 85 HA ALA 85 36.745 25.280 8.938 632 HB1 ALA 85 1HB ALA 85 37.401 26.624 6.434 633 HB2 ALA 85 2HB ALA 85 38.268 26.598 7.969 634 HB3 ALA 85 3HB ALA 85 38.480 25.282 6.815 635 H ASN 86 H ASN 86 34.318 24.180 7.794 636 HA ASN 86 HA ASN 86 33.012 26.596 6.746 637 HB2 ASN 86 2HB ASN 86 32.300 23.672 6.578 638 HB3 ASN 86 3HB ASN 86 31.136 24.937 6.197 639 HD21 ASN 86 1HD2 ASN 86 31.563 26.328 4.430 640 HD22 ASN 86 2HD2 ASN 86 32.605 25.830 3.145 641 H GLU 87 H GLU 87 32.292 27.780 8.414 642 HA GLU 87 HA GLU 87 31.575 26.859 10.941 643 HB2 GLU 87 2HB GLU 87 30.374 29.040 11.173 644 HB3 GLU 87 3HB GLU 87 32.031 29.189 10.604 645 HG2 GLU 87 2HG GLU 87 30.995 29.221 8.252 646 HG3 GLU 87 3HG GLU 87 29.481 29.562 9.087 647 H ASP 88 H ASP 88 29.517 27.547 8.130 648 HA ASP 88 HA ASP 88 27.070 26.900 9.380 649 HB2 ASP 88 2HB ASP 88 26.285 26.589 6.960 650 HB3 ASP 88 3HB ASP 88 26.913 28.174 7.404 651 H LEU 89 H LEU 89 29.330 24.987 7.437 652 HA LEU 89 HA LEU 89 27.806 22.648 7.257 653 HB2 LEU 89 2HB LEU 89 29.963 23.264 6.046 654 HB3 LEU 89 3HB LEU 89 30.801 22.698 7.490 655 HG LEU 89 HG LEU 89 29.910 20.461 7.157 656 HD11 LEU 89 1HD1 LEU 89 28.067 21.829 5.454 657 HD12 LEU 89 2HD1 LEU 89 28.036 20.158 6.015 658 HD13 LEU 89 3HD1 LEU 89 28.899 20.574 4.534 659 HD21 LEU 89 3HD2 LEU 89 31.041 21.432 4.544 660 HD22 LEU 89 1HD2 LEU 89 31.228 19.846 5.291 661 HD23 LEU 89 2HD2 LEU 89 32.011 21.255 6.006 662 H LEU 90 H LEU 90 29.890 23.866 9.802 663 HA LEU 90 HA LEU 90 30.161 21.536 11.324 664 HB2 LEU 90 2HB LEU 90 31.491 23.487 11.777 665 HB3 LEU 90 3HB LEU 90 30.052 24.426 12.168 666 HG LEU 90 HG LEU 90 29.712 23.124 14.183 667 HD11 LEU 90 1HD1 LEU 90 30.492 20.969 13.498 668 HD12 LEU 90 2HD1 LEU 90 31.449 21.486 14.885 669 HD13 LEU 90 3HD1 LEU 90 32.129 21.581 13.260 670 HD21 LEU 90 3HD2 LEU 90 31.007 24.943 14.715 671 HD22 LEU 90 1HD2 LEU 90 32.352 24.421 13.700 672 HD23 LEU 90 2HD2 LEU 90 32.054 23.626 15.246 673 H GLN 91 H GLN 91 27.749 24.143 11.597 674 HA GLN 91 HA GLN 91 26.264 22.916 13.663 675 HB2 GLN 91 2HB GLN 91 26.183 25.343 12.243 676 HB3 GLN 91 3HB GLN 91 24.615 24.588 11.991 677 HG2 GLN 91 2HG GLN 91 24.718 26.119 13.942 678 HG3 GLN 91 3HG GLN 91 24.202 24.479 14.330 679 HE21 GLN 91 1HE2 GLN 91 24.820 24.426 16.427 680 HE22 GLN 91 2HE2 GLN 91 26.461 24.542 16.956 681 H ALA 92 H ALA 92 26.036 22.797 10.150 682 HA ALA 92 HA ALA 92 23.565 21.475 9.956 683 HB1 ALA 92 1HB ALA 92 24.013 21.999 7.843 684 HB2 ALA 92 2HB ALA 92 25.734 22.182 8.184 685 HB3 ALA 92 3HB ALA 92 25.076 20.592 7.796 686 H ILE 93 H ILE 93 26.855 20.260 10.349 687 HA ILE 93 HA ILE 93 26.343 17.539 9.927 688 HB ILE 93 HB ILE 93 28.417 18.895 11.646 689 HG12 ILE 93 2HG1 ILE 93 29.000 17.391 9.135 690 HG13 ILE 93 3HG1 ILE 93 28.263 18.983 8.997 691 HG21 ILE 93 1HG2 ILE 93 28.234 16.758 12.599 692 HG22 ILE 93 2HG2 ILE 93 28.005 15.986 11.031 693 HG23 ILE 93 3HG2 ILE 93 29.584 16.636 11.471 694 HD11 ILE 93 3HD1 ILE 93 30.781 18.876 8.866 695 HD12 ILE 93 1HD1 ILE 93 30.102 20.032 10.013 696 HD13 ILE 93 2HD1 ILE 93 30.758 18.499 10.589 697 H ARG 94 H ARG 94 26.019 19.547 12.802 698 HA ARG 94 HA ARG 94 25.561 17.446 14.639 699 HB2 ARG 94 2HB ARG 94 25.659 20.291 14.698 700 HB3 ARG 94 3HB ARG 94 24.152 19.788 15.453 701 HG2 ARG 94 2HG ARG 94 25.198 19.088 17.283 702 HG3 ARG 94 3HG ARG 94 26.394 18.190 16.347 703 HD2 ARG 94 2HD ARG 94 27.811 19.718 17.214 704 HD3 ARG 94 3HD ARG 94 27.225 20.702 15.873 705 HE ARG 94 HE ARG 94 25.473 21.262 17.851 706 HH11 ARG 94 1HH1 ARG 94 28.950 21.270 17.674 707 HH12 ARG 94 2HH1 ARG 94 29.137 22.536 18.842 708 HH21 ARG 94 1HH2 ARG 94 25.706 22.929 19.390 709 HH22 ARG 94 2HH2 ARG 94 27.291 23.479 19.818 710 H ASN 95 H ASN 95 23.317 19.595 12.900 711 HA ASN 95 HA ASN 95 20.937 18.538 13.894 712 HB2 ASN 95 2HB ASN 95 21.268 19.572 11.079 713 HB3 ASN 95 3HB ASN 95 19.838 19.653 12.104 714 HD21 ASN 95 1HD2 ASN 95 21.568 21.696 10.715 715 HD22 ASN 95 2HD2 ASN 95 21.928 22.852 11.947 716 H ALA 96 H ALA 96 22.497 17.794 10.770 717 HA ALA 96 HA ALA 96 20.853 15.808 9.868 718 HB1 ALA 96 1HB ALA 96 22.447 15.377 8.331 719 HB2 ALA 96 2HB ALA 96 23.180 16.835 9.002 720 HB3 ALA 96 3HB ALA 96 23.729 15.246 9.536 721 H GLU 97 H GLU 97 23.310 15.581 12.369 722 HA GLU 97 HA GLU 97 23.257 12.741 12.582 723 HB2 GLU 97 2HB GLU 97 25.195 13.869 13.389 724 HB3 GLU 97 3HB GLU 97 24.235 14.917 14.425 725 HG2 GLU 97 2HG GLU 97 23.634 13.003 15.813 726 HG3 GLU 97 3HG GLU 97 24.590 11.948 14.773 727 H GLU 98 H GLU 98 21.674 15.370 14.356 728 HA GLU 98 HA GLU 98 20.359 13.682 16.222 729 HB2 GLU 98 2HB GLU 98 19.573 15.600 17.131 730 HB3 GLU 98 3HB GLU 98 20.776 16.345 16.088 731 HG2 GLU 98 2HG GLU 98 18.982 16.589 14.355 732 HG3 GLU 98 3HG GLU 98 17.827 16.070 15.581 733 H ASP 99 H ASP 99 19.544 14.897 13.040 734 HA ASP 99 HA ASP 99 16.818 13.934 13.182 735 HB2 ASP 99 2HB ASP 99 16.875 15.806 11.841 736 HB3 ASP 99 3HB ASP 99 18.459 15.415 11.178 737 H LYS 100 H LYS 100 16.739 11.752 13.320 738 HA LYS 100 HA LYS 100 17.807 10.255 11.032 739 HB2 LYS 100 2HB LYS 100 18.227 9.669 13.947 740 HB3 LYS 100 3HB LYS 100 18.224 8.365 12.767 741 HG2 LYS 100 2HG LYS 100 19.937 10.073 11.583 742 HG3 LYS 100 3HG LYS 100 20.233 10.450 13.282 743 HD2 LYS 100 2HD LYS 100 20.135 7.598 12.397 744 HD3 LYS 100 3HD LYS 100 21.588 8.554 12.096 745 HE2 LYS 100 2HE LYS 100 20.715 8.982 14.783 746 HE3 LYS 100 3HE LYS 100 20.814 7.249 14.478 747 HZ1 LYS 100 3HZ LYS 100 22.946 9.267 14.435 748 HZ2 LYS 100 1HZ LYS 100 23.093 7.906 13.440 749 HZ3 LYS 100 2HZ LYS 100 22.945 7.717 15.114 750 H GLU 101 H GLU 101 15.199 11.152 11.277 751 HA GLU 101 HA GLU 101 13.055 10.423 11.056 752 HB2 GLU 101 2HB GLU 101 14.642 8.323 10.141 753 HB3 GLU 101 3HB GLU 101 13.512 7.562 11.252 754 HG2 GLU 101 2HG GLU 101 11.638 8.401 10.024 755 HG3 GLU 101 3HG GLU 101 12.691 9.368 8.992 756 H SER 102 H SER 102 14.611 10.452 13.730 757 HA SER 102 HA SER 102 12.380 9.435 15.306 758 HB2 SER 102 2HB SER 102 14.445 7.759 15.043 759 HB3 SER 102 3HB SER 102 15.084 8.752 16.353 760 HG SER 102 HG SER 102 13.905 7.031 17.205 761 H ASN 103 H ASN 103 12.876 12.055 14.799 762 HA ASN 103 HA ASN 103 14.575 13.352 16.636 763 HB2 ASN 103 2HB ASN 103 12.720 14.109 14.600 764 HB3 ASN 103 3HB ASN 103 12.359 15.038 16.052 765 HD21 ASN 103 1HD2 ASN 103 13.071 16.964 15.213 766 HD22 ASN 103 2HD2 ASN 103 14.740 17.298 14.914 767 H ALA 104 H ALA 104 14.241 14.171 18.660 768 HA ALA 104 HA ALA 104 13.355 14.377 20.746 769 HB1 ALA 104 1HB ALA 104 11.570 15.544 19.293 770 HB2 ALA 104 2HB ALA 104 10.603 14.101 19.600 771 HB3 ALA 104 3HB ALA 104 11.157 15.094 20.948 772 H LEU 105 H LEU 105 13.840 11.705 19.494 773 HA LEU 105 HA LEU 105 12.017 10.082 21.139 774 HB2 LEU 105 2HB LEU 105 12.469 9.805 18.515 775 HB3 LEU 105 3HB LEU 105 13.772 8.794 19.136 776 HG LEU 105 HG LEU 105 11.307 8.120 20.445 777 HD11 LEU 105 1HD1 LEU 105 10.262 7.127 18.344 778 HD12 LEU 105 2HD1 LEU 105 11.248 8.281 17.448 779 HD13 LEU 105 3HD1 LEU 105 10.053 8.858 18.608 780 HD21 LEU 105 3HD2 LEU 105 13.594 6.873 19.753 781 HD22 LEU 105 1HD2 LEU 105 12.520 6.289 18.481 782 HD23 LEU 105 2HD2 LEU 105 12.103 6.028 20.175 783 H ARG 106 H ARG 106 15.393 10.658 20.312 784 HA ARG 106 HA ARG 106 16.161 9.355 22.825 785 HB2 ARG 106 2HB ARG 106 16.602 7.703 21.111 786 HB3 ARG 106 3HB ARG 106 17.455 8.891 20.135 787 HG2 ARG 106 2HG ARG 106 19.251 8.999 21.693 788 HG3 ARG 106 3HG ARG 106 18.357 8.038 22.873 789 HD2 ARG 106 2HD ARG 106 19.233 6.191 22.009 790 HD3 ARG 106 3HD ARG 106 18.445 6.550 20.473 791 HE ARG 106 HE ARG 106 20.748 8.082 20.559 792 HH11 ARG 106 1HH1 ARG 106 19.906 4.704 20.588 793 HH12 ARG 106 2HH1 ARG 106 21.371 4.198 19.812 794 HH21 ARG 106 1HH2 ARG 106 22.680 7.429 19.537 795 HH22 ARG 106 2HH2 ARG 106 22.948 5.749 19.215 796 H PHE 107 H PHE 107 17.589 11.118 20.068 797 HA PHE 107 HA PHE 107 19.656 12.331 21.488 798 HB2 PHE 107 2HB PHE 107 18.235 12.962 18.932 799 HB3 PHE 107 3HB PHE 107 19.368 14.137 19.591 800 HD1 PHE 107 HD1 PHE 107 21.744 13.390 20.038 801 HD2 PHE 107 HD2 PHE 107 18.988 11.107 17.733 802 HE1 PHE 107 HE1 PHE 107 23.616 12.148 19.035 803 HE2 PHE 107 HE2 PHE 107 20.855 9.861 16.727 804 HZ PHE 107 HZ PHE 107 23.173 10.380 17.378 805 H GLU 108 H GLU 108 19.815 14.829 21.664 806 HA GLU 108 HA GLU 108 17.877 15.642 23.598 807 HB2 GLU 108 2HB GLU 108 20.354 16.822 22.427 808 HB3 GLU 108 3HB GLU 108 19.235 17.894 23.257 809 HG2 GLU 108 2HG GLU 108 19.395 15.995 25.105 810 HG3 GLU 108 3HG GLU 108 20.960 15.745 24.334 811 HA PRO 109 HA PRO 109 14.966 17.695 21.021 812 HB2 PRO 109 2HB PRO 109 13.968 19.481 22.806 813 HB3 PRO 109 3HB PRO 109 13.596 17.754 22.864 814 HG2 PRO 109 2HG PRO 109 15.589 19.317 24.459 815 HG3 PRO 109 3HG PRO 109 14.469 18.053 24.999 816 HD2 PRO 109 2HD PRO 109 17.091 17.570 24.523 817 HD3 PRO 109 3HD PRO 109 15.830 16.351 24.248 818 H THR 110 H THR 110 14.208 20.088 20.624 819 HA THR 110 HA THR 110 16.574 21.539 19.802 820 HB THR 110 HB THR 110 13.774 22.558 19.430 821 HG1 THR 110 HG1 THR 110 14.960 20.784 17.579 822 HG21 THR 110 3HG2 THR 110 16.433 23.083 18.336 823 HG22 THR 110 1HG2 THR 110 14.998 24.106 18.360 824 HG23 THR 110 2HG2 THR 110 15.191 22.886 17.101 Start of MODEL 3 1 H1 MET 1 H MET 1 10.179 0.108 -7.942 2 HA MET 1 HA MET 1 11.837 -1.755 -8.336 3 HB2 MET 1 2HB MET 1 13.085 0.583 -9.706 4 HB3 MET 1 3HB MET 1 14.141 -0.590 -8.931 5 HG2 MET 1 2HG MET 1 12.721 -2.320 -10.272 6 HG3 MET 1 3HG MET 1 12.335 -0.923 -11.273 7 HE1 MET 1 3HE MET 1 15.031 -2.511 -9.327 8 HE2 MET 1 1HE MET 1 15.670 -3.509 -10.634 9 HE3 MET 1 2HE MET 1 16.533 -2.055 -10.133 10 H LEU 2 H LEU 2 12.285 1.584 -7.252 11 HA LEU 2 HA LEU 2 14.145 1.090 -5.219 12 HB2 LEU 2 2HB LEU 2 12.908 3.297 -6.240 13 HB3 LEU 2 3HB LEU 2 12.168 3.177 -4.645 14 HG LEU 2 HG LEU 2 14.094 4.694 -4.667 15 HD11 LEU 2 1HD1 LEU 2 14.851 4.053 -2.617 16 HD12 LEU 2 2HD1 LEU 2 15.049 2.366 -3.091 17 HD13 LEU 2 3HD1 LEU 2 13.441 3.001 -2.743 18 HD21 LEU 2 3HD2 LEU 2 15.264 3.189 -6.455 19 HD22 LEU 2 1HD2 LEU 2 15.930 2.372 -5.041 20 HD23 LEU 2 2HD2 LEU 2 16.227 4.094 -5.285 21 H GLN 3 H GLN 3 13.938 0.726 -3.014 22 HA GLN 3 HA GLN 3 11.870 -1.000 -2.208 23 HB2 GLN 3 2HB GLN 3 14.065 0.440 -0.755 24 HB3 GLN 3 3HB GLN 3 12.850 -0.460 0.143 25 HG2 GLN 3 2HG GLN 3 13.436 -2.469 -1.194 26 HG3 GLN 3 3HG GLN 3 14.745 -1.543 -1.926 27 HE21 GLN 3 1HE2 GLN 3 13.604 -3.139 0.924 28 HE22 GLN 3 2HE2 GLN 3 15.087 -3.074 1.808 29 H GLU 4 H GLU 4 10.815 -0.460 0.099 30 HA GLU 4 HA GLU 4 8.972 1.686 -0.450 31 HB2 GLU 4 2HB GLU 4 8.850 -0.729 0.947 32 HB3 GLU 4 3HB GLU 4 8.714 0.509 2.187 33 HG2 GLU 4 2HG GLU 4 6.518 0.004 1.536 34 HG3 GLU 4 3HG GLU 4 6.900 1.549 0.778 35 H ARG 5 H ARG 5 11.148 0.895 2.262 36 HA ARG 5 HA ARG 5 12.205 2.200 3.796 37 HB2 ARG 5 2HB ARG 5 12.272 3.677 1.322 38 HB3 ARG 5 3HB ARG 5 12.151 4.785 2.682 39 HG2 ARG 5 2HG ARG 5 14.225 2.620 2.400 40 HG3 ARG 5 3HG ARG 5 14.473 4.325 2.019 41 HD2 ARG 5 2HD ARG 5 13.717 4.768 4.431 42 HD3 ARG 5 3HD ARG 5 13.990 3.046 4.690 43 HE ARG 5 HE ARG 5 16.240 4.326 3.489 44 HH11 ARG 5 1HH1 ARG 5 14.605 3.772 6.512 45 HH12 ARG 5 2HH1 ARG 5 16.035 3.965 7.471 46 HH21 ARG 5 1HH2 ARG 5 18.130 4.583 4.741 47 HH22 ARG 5 2HH2 ARG 5 18.039 4.427 6.463 48 H VAL 6 H VAL 6 11.946 4.292 5.129 49 HA VAL 6 HA VAL 6 9.069 4.831 5.490 50 HB VAL 6 HB VAL 6 11.188 4.653 7.637 51 HG11 VAL 6 1HG1 VAL 6 9.661 6.309 8.328 52 HG12 VAL 6 2HG1 VAL 6 8.275 5.395 7.728 53 HG13 VAL 6 3HG1 VAL 6 9.157 4.832 9.149 54 HG21 VAL 6 3HG2 VAL 6 9.927 2.699 8.411 55 HG22 VAL 6 1HG2 VAL 6 8.841 2.856 7.030 56 HG23 VAL 6 2HG2 VAL 6 10.542 2.466 6.774 57 H PHE 7 H PHE 7 8.450 6.900 5.485 58 HA PHE 7 HA PHE 7 10.552 8.955 5.440 59 HB2 PHE 7 2HB PHE 7 7.906 8.689 4.092 60 HB3 PHE 7 3HB PHE 7 8.466 10.309 4.496 61 HD1 PHE 7 HD1 PHE 7 9.620 7.185 2.828 62 HD2 PHE 7 HD2 PHE 7 9.821 11.433 3.010 63 HE1 PHE 7 HE1 PHE 7 11.013 7.203 0.799 64 HE2 PHE 7 HE2 PHE 7 11.213 11.457 0.981 65 HZ PHE 7 HZ PHE 7 11.810 9.341 -0.127 66 H HIS 8 H HIS 8 10.686 10.373 7.051 67 HA HIS 8 HA HIS 8 8.333 10.787 8.769 68 HB2 HIS 8 2HB HIS 8 10.284 9.285 9.683 69 HB3 HIS 8 3HB HIS 8 11.088 10.830 9.942 70 HD1 HIS 8 HD1 HIS 8 10.862 11.437 12.320 71 HD2 HIS 8 HD2 HIS 8 7.390 9.698 10.842 72 HE1 HIS 8 HE1 HIS 8 9.221 11.489 14.224 73 H ILE 9 H ILE 9 8.669 12.774 10.208 74 HA ILE 9 HA ILE 9 8.862 15.048 8.651 75 HB ILE 9 HB ILE 9 7.769 15.102 10.808 76 HG12 ILE 9 2HG1 ILE 9 9.783 17.015 11.586 77 HG13 ILE 9 3HG1 ILE 9 9.550 17.058 9.841 78 HG21 ILE 9 1HG2 ILE 9 8.903 14.917 12.889 79 HG22 ILE 9 2HG2 ILE 9 9.402 13.543 11.905 80 HG23 ILE 9 3HG2 ILE 9 10.481 14.923 12.102 81 HD11 ILE 9 3HD1 ILE 9 7.250 17.562 10.077 82 HD12 ILE 9 1HD1 ILE 9 7.288 17.231 11.809 83 HD13 ILE 9 2HD1 ILE 9 8.132 18.638 11.161 84 H ASN 10 H ASN 10 11.363 13.432 10.540 85 HA ASN 10 HA ASN 10 13.344 15.427 10.273 86 HB2 ASN 10 2HB ASN 10 13.848 12.463 10.566 87 HB3 ASN 10 3HB ASN 10 14.890 13.787 11.078 88 HD21 ASN 10 1HD2 ASN 10 13.222 15.444 12.379 89 HD22 ASN 10 2HD2 ASN 10 12.540 14.662 13.760 90 H ASP 11 H ASP 11 12.705 12.463 8.419 91 HA ASP 11 HA ASP 11 13.525 11.718 6.419 92 HB2 ASP 11 2HB ASP 11 12.063 13.912 5.986 93 HB3 ASP 11 3HB ASP 11 13.606 14.505 5.380 94 H ARG 12 H ARG 12 15.594 11.069 7.047 95 HA ARG 12 HA ARG 12 17.793 12.918 7.068 96 HB2 ARG 12 2HB ARG 12 19.170 10.835 7.334 97 HB3 ARG 12 3HB ARG 12 17.926 11.054 8.557 98 HG2 ARG 12 2HG ARG 12 17.034 9.090 8.068 99 HG3 ARG 12 3HG ARG 12 16.866 9.544 6.371 100 HD2 ARG 12 2HD ARG 12 18.291 7.808 6.086 101 HD3 ARG 12 3HD ARG 12 19.493 9.053 6.424 102 HE ARG 12 HE ARG 12 19.998 7.969 8.368 103 HH11 ARG 12 1HH1 ARG 12 16.884 6.883 7.255 104 HH12 ARG 12 2HH1 ARG 12 16.735 5.651 8.465 105 HH21 ARG 12 1HH2 ARG 12 19.815 6.351 9.966 106 HH22 ARG 12 2HH2 ARG 12 18.403 5.350 10.007 107 H VAL 13 H VAL 13 18.366 13.801 5.177 108 HA VAL 13 HA VAL 13 19.196 12.009 3.028 109 HB VAL 13 HB VAL 13 18.133 13.596 1.344 110 HG11 VAL 13 1HG1 VAL 13 16.331 12.204 1.126 111 HG12 VAL 13 2HG1 VAL 13 17.316 11.251 2.237 112 HG13 VAL 13 3HG1 VAL 13 15.973 12.215 2.852 113 HG21 VAL 13 3HG2 VAL 13 16.527 14.369 3.779 114 HG22 VAL 13 1HG2 VAL 13 17.605 15.418 2.858 115 HG23 VAL 13 2HG2 VAL 13 16.129 14.799 2.116 116 H TRP 14 H TRP 14 20.265 13.381 1.222 117 HA TRP 14 HA TRP 14 21.866 15.496 2.507 118 HB2 TRP 14 2HB TRP 14 22.780 13.083 1.513 119 HB3 TRP 14 3HB TRP 14 23.108 14.208 0.197 120 HD1 TRP 14 HD1 TRP 14 23.426 14.947 3.984 121 HE1 TRP 14 HE1 TRP 14 25.857 15.650 4.455 122 HE3 TRP 14 HE3 TRP 14 25.402 14.211 -0.674 123 HZ2 TRP 14 HZ2 TRP 14 28.290 15.864 3.041 124 HZ3 TRP 14 HZ3 TRP 14 27.789 14.689 -1.031 125 HH2 TRP 14 HH2 TRP 14 29.201 15.499 0.789 126 H LEU 15 H LEU 15 21.997 17.423 1.513 127 HA LEU 15 HA LEU 15 20.757 17.659 -1.149 128 HB2 LEU 15 2HB LEU 15 19.677 18.767 0.905 129 HB3 LEU 15 3HB LEU 15 21.015 19.911 0.815 130 HG LEU 15 HG LEU 15 19.561 19.552 -1.707 131 HD11 LEU 15 1HD1 LEU 15 18.153 21.080 0.449 132 HD12 LEU 15 2HD1 LEU 15 17.803 19.377 0.158 133 HD13 LEU 15 3HD1 LEU 15 17.548 20.561 -1.124 134 HD21 LEU 15 3HD2 LEU 15 20.171 22.040 -0.126 135 HD22 LEU 15 1HD2 LEU 15 19.845 21.903 -1.854 136 HD23 LEU 15 2HD2 LEU 15 21.341 21.251 -1.184 137 H LYS 16 H LYS 16 21.920 18.502 -2.767 138 HA LYS 16 HA LYS 16 24.657 19.351 -2.179 139 HB2 LYS 16 2HB LYS 16 24.436 17.609 -3.847 140 HB3 LYS 16 3HB LYS 16 23.303 18.586 -4.771 141 HG2 LYS 16 2HG LYS 16 25.547 18.556 -5.758 142 HG3 LYS 16 3HG LYS 16 25.038 20.181 -5.292 143 HD2 LYS 16 2HD LYS 16 27.351 19.818 -4.658 144 HD3 LYS 16 3HD LYS 16 26.345 19.969 -3.215 145 HE2 LYS 16 2HE LYS 16 28.036 18.135 -3.110 146 HE3 LYS 16 3HE LYS 16 26.372 17.606 -2.865 147 HZ1 LYS 16 3HZ LYS 16 27.342 17.531 -5.602 148 HZ2 LYS 16 1HZ LYS 16 26.374 16.425 -4.764 149 HZ3 LYS 16 2HZ LYS 16 28.050 16.419 -4.542 150 H THR 17 H THR 17 24.953 21.454 -1.881 151 HA THR 17 HA THR 17 23.133 23.438 -2.821 152 HB THR 17 HB THR 17 25.901 24.137 -1.921 153 HG1 THR 17 HG1 THR 17 25.252 23.795 0.231 154 HG21 THR 17 3HG2 THR 17 24.391 25.943 -2.509 155 HG22 THR 17 1HG2 THR 17 24.673 25.948 -0.769 156 HG23 THR 17 2HG2 THR 17 23.162 25.307 -1.416 157 H GLY 18 H GLY 18 26.194 22.156 -3.951 158 HA2 GLY 18 2HA GLY 18 25.781 23.257 -6.560 159 HA3 GLY 18 3HA GLY 18 27.061 24.094 -5.694 160 H ALA 19 H ALA 19 28.594 22.404 -4.536 161 HA ALA 19 HA ALA 19 29.022 19.911 -5.804 162 HB1 ALA 19 1HB ALA 19 30.154 20.462 -7.629 163 HB2 ALA 19 2HB ALA 19 30.008 22.173 -7.227 164 HB3 ALA 19 3HB ALA 19 31.378 21.240 -6.624 165 H ASN 20 H ASN 20 30.416 22.636 -4.059 166 HA ASN 20 HA ASN 20 32.056 20.742 -2.510 167 HB2 ASN 20 2HB ASN 20 32.727 23.212 -3.756 168 HB3 ASN 20 3HB ASN 20 32.831 23.447 -2.013 169 HD21 ASN 20 1HD2 ASN 20 34.404 22.416 -0.857 170 HD22 ASN 20 2HD2 ASN 20 35.695 21.533 -1.591 171 H THR 21 H THR 21 29.271 22.526 -2.390 172 HA THR 21 HA THR 21 29.401 22.730 0.549 173 HB THR 21 HB THR 21 27.297 24.366 -0.506 174 HG1 THR 21 HG1 THR 21 28.397 25.696 -1.858 175 HG21 THR 21 3HG2 THR 21 29.839 24.887 1.024 176 HG22 THR 21 1HG2 THR 21 28.194 24.786 1.650 177 HG23 THR 21 2HG2 THR 21 28.673 26.155 0.646 178 H TRP 22 H TRP 22 28.095 21.376 1.571 179 HA TRP 22 HA TRP 22 25.542 20.639 0.317 180 HB2 TRP 22 2HB TRP 22 25.939 18.306 1.328 181 HB3 TRP 22 3HB TRP 22 26.819 18.721 -0.141 182 HD1 TRP 22 HD1 TRP 22 27.470 18.763 3.691 183 HE1 TRP 22 HE1 TRP 22 29.939 18.147 4.075 184 HE3 TRP 22 HE3 TRP 22 28.976 18.368 -1.179 185 HZ2 TRP 22 HZ2 TRP 22 32.223 17.571 2.520 186 HZ3 TRP 22 HZ3 TRP 22 31.320 17.781 -1.644 187 HH2 TRP 22 HH2 TRP 22 32.908 17.392 0.168 188 H TRP 23 H TRP 23 23.826 20.518 1.678 189 HA TRP 23 HA TRP 23 24.340 20.705 4.565 190 HB2 TRP 23 2HB TRP 23 23.213 22.748 2.879 191 HB3 TRP 23 3HB TRP 23 22.010 22.210 4.048 192 HD1 TRP 23 HD1 TRP 23 25.815 22.632 4.646 193 HE1 TRP 23 HE1 TRP 23 26.133 24.294 6.586 194 HE3 TRP 23 HE3 TRP 23 20.928 23.921 5.421 195 HZ2 TRP 23 HZ2 TRP 23 24.525 25.933 8.228 196 HZ3 TRP 23 HZ3 TRP 23 20.403 25.542 7.196 197 HH2 TRP 23 HH2 TRP 23 22.166 26.526 8.570 198 HA PRO 24 HA PRO 24 21.254 17.612 4.996 199 HB2 PRO 24 2HB PRO 24 20.242 18.231 7.438 200 HB3 PRO 24 3HB PRO 24 21.841 17.511 7.215 201 HG2 PRO 24 2HG PRO 24 21.100 20.375 7.677 202 HG3 PRO 24 3HG PRO 24 22.421 19.432 8.391 203 HD2 PRO 24 2HD PRO 24 22.807 21.158 6.341 204 HD3 PRO 24 3HD PRO 24 23.768 19.679 6.538 205 H ALA 25 H ALA 25 19.155 17.289 4.471 206 HA ALA 25 HA ALA 25 17.354 19.621 4.529 207 HB1 ALA 25 1HB ALA 25 17.831 17.629 2.345 208 HB2 ALA 25 2HB ALA 25 16.295 18.486 2.468 209 HB3 ALA 25 3HB ALA 25 17.795 19.390 2.260 210 H LYS 26 H LYS 26 15.393 19.320 5.414 211 HA LYS 26 HA LYS 26 14.535 16.562 5.983 212 HB2 LYS 26 2HB LYS 26 13.781 17.204 8.172 213 HB3 LYS 26 3HB LYS 26 15.464 17.687 8.008 214 HG2 LYS 26 2HG LYS 26 14.664 19.591 8.920 215 HG3 LYS 26 3HG LYS 26 14.317 19.960 7.229 216 HD2 LYS 26 2HD LYS 26 12.127 20.025 7.630 217 HD3 LYS 26 3HD LYS 26 12.169 18.435 8.397 218 HE2 LYS 26 2HE LYS 26 12.404 19.308 10.503 219 HE3 LYS 26 3HE LYS 26 13.199 20.771 9.925 220 HZ1 LYS 26 3HZ LYS 26 11.174 21.611 10.461 221 HZ2 LYS 26 1HZ LYS 26 10.347 20.169 10.148 222 HZ3 LYS 26 2HZ LYS 26 10.838 21.157 8.866 223 H VAL 27 H VAL 27 12.484 16.095 5.461 224 HA VAL 27 HA VAL 27 10.859 18.211 4.289 225 HB VAL 27 HB VAL 27 10.236 15.260 4.385 226 HG11 VAL 27 1HG1 VAL 27 8.344 15.843 3.386 227 HG12 VAL 27 2HG1 VAL 27 8.814 17.543 3.456 228 HG13 VAL 27 3HG1 VAL 27 9.266 16.558 2.064 229 HG21 VAL 27 3HG2 VAL 27 12.168 16.757 2.758 230 HG22 VAL 27 1HG2 VAL 27 12.074 15.032 3.113 231 HG23 VAL 27 2HG2 VAL 27 11.070 15.726 1.841 232 H THR 28 H THR 28 9.319 19.202 5.398 233 HA THR 28 HA THR 28 8.529 18.281 8.003 234 HB THR 28 HB THR 28 8.780 20.676 7.587 235 HG1 THR 28 HG1 THR 28 6.023 20.125 8.017 236 HG21 THR 28 3HG2 THR 28 6.585 21.561 6.265 237 HG22 THR 28 1HG2 THR 28 6.926 20.076 5.378 238 HG23 THR 28 2HG2 THR 28 8.163 21.325 5.513 239 H SER 29 H SER 29 7.565 17.451 4.949 240 HA SER 29 HA SER 29 5.809 16.267 4.119 241 HB2 SER 29 2HB SER 29 6.135 15.232 6.557 242 HB3 SER 29 3HB SER 29 4.538 15.941 6.795 243 HG SER 29 HG SER 29 5.160 13.679 5.555 244 H VAL 30 H VAL 30 5.571 18.989 4.013 245 HA VAL 30 HA VAL 30 2.698 19.410 4.524 246 HB VAL 30 HB VAL 30 4.882 21.498 4.538 247 HG11 VAL 30 1HG1 VAL 30 1.894 21.682 4.696 248 HG12 VAL 30 2HG1 VAL 30 2.926 22.919 5.418 249 HG13 VAL 30 3HG1 VAL 30 3.012 22.597 3.685 250 HG21 VAL 30 3HG2 VAL 30 4.631 21.638 6.861 251 HG22 VAL 30 1HG2 VAL 30 3.117 20.734 6.841 252 HG23 VAL 30 2HG2 VAL 30 4.642 19.905 6.531 253 H THR 31 H THR 31 1.629 19.308 2.666 254 HA THR 31 HA THR 31 2.818 19.613 0.119 255 HB THR 31 HB THR 31 0.068 20.041 -0.217 256 HG1 THR 31 HG1 THR 31 0.324 17.897 1.588 257 HG21 THR 31 3HG2 THR 31 0.088 17.922 -1.231 258 HG22 THR 31 1HG2 THR 31 1.368 17.331 -0.172 259 HG23 THR 31 2HG2 THR 31 1.736 18.518 -1.424 260 H GLY 32 H GLY 32 1.296 21.145 -1.451 261 HA2 GLY 32 2HA GLY 32 1.532 23.857 -0.299 262 HA3 GLY 32 3HA GLY 32 2.064 23.479 -1.931 263 H VAL 33 H VAL 33 -0.561 21.628 -1.599 264 HA VAL 33 HA VAL 33 -2.407 23.756 -2.468 265 HB VAL 33 HB VAL 33 -2.233 20.944 -3.560 266 HG11 VAL 33 1HG1 VAL 33 -3.853 22.506 -5.201 267 HG12 VAL 33 2HG1 VAL 33 -4.371 21.214 -4.117 268 HG13 VAL 33 3HG1 VAL 33 -4.367 22.888 -3.558 269 HG21 VAL 33 3HG2 VAL 33 -0.433 22.408 -4.350 270 HG22 VAL 33 1HG2 VAL 33 -1.561 22.008 -5.646 271 HG23 VAL 33 2HG2 VAL 33 -1.630 23.593 -4.875 272 H GLU 34 H GLU 34 -2.521 20.304 -1.558 273 HA GLU 34 HA GLU 34 -3.954 20.623 0.806 274 HB2 GLU 34 2HB GLU 34 -6.213 19.784 -0.056 275 HB3 GLU 34 3HB GLU 34 -5.827 21.477 -0.326 276 HG2 GLU 34 2HG GLU 34 -6.016 21.249 -2.518 277 HG3 GLU 34 3HG GLU 34 -4.925 19.865 -2.531 278 H GLY 35 H GLY 35 -2.050 19.009 0.683 279 HA2 GLY 35 2HA GLY 35 -1.302 16.838 0.792 280 HA3 GLY 35 3HA GLY 35 -2.957 16.463 1.250 281 H VAL 36 H VAL 36 -1.749 17.701 -1.842 282 HA VAL 36 HA VAL 36 -3.177 15.605 -3.239 283 HB VAL 36 HB VAL 36 -1.420 17.743 -4.442 284 HG11 VAL 36 1HG1 VAL 36 -3.644 17.062 -6.053 285 HG12 VAL 36 2HG1 VAL 36 -1.932 16.775 -6.373 286 HG13 VAL 36 3HG1 VAL 36 -2.888 15.558 -5.527 287 HG21 VAL 36 3HG2 VAL 36 -4.336 17.838 -3.688 288 HG22 VAL 36 1HG2 VAL 36 -3.039 18.889 -3.117 289 HG23 VAL 36 2HG2 VAL 36 -3.573 18.979 -4.795 290 H ASP 37 H ASP 37 -0.103 15.978 -1.944 291 HA ASP 37 HA ASP 37 1.622 14.857 -3.788 292 HB2 ASP 37 2HB ASP 37 2.278 15.786 -1.569 293 HB3 ASP 37 3HB ASP 37 1.639 14.330 -0.810 294 H GLY 38 H GLY 38 -0.861 13.332 -1.878 295 HA2 GLY 38 2HA GLY 38 0.082 10.654 -2.530 296 HA3 GLY 38 3HA GLY 38 -1.310 11.056 -1.535 297 H ARG 39 H ARG 39 -2.159 12.974 -3.749 298 HA ARG 39 HA ARG 39 -3.616 10.958 -5.279 299 HB2 ARG 39 2HB ARG 39 -4.041 13.946 -5.301 300 HB3 ARG 39 3HB ARG 39 -5.152 12.700 -5.854 301 HG2 ARG 39 2HG ARG 39 -5.567 11.972 -3.625 302 HG3 ARG 39 3HG ARG 39 -4.277 12.997 -2.993 303 HD2 ARG 39 2HD ARG 39 -5.720 14.663 -2.742 304 HD3 ARG 39 3HD ARG 39 -6.053 14.639 -4.474 305 HE ARG 39 HE ARG 39 -8.060 13.669 -4.010 306 HH11 ARG 39 1HH1 ARG 39 -5.925 13.136 -1.312 307 HH12 ARG 39 2HH1 ARG 39 -7.140 12.387 -0.330 308 HH21 ARG 39 1HH2 ARG 39 -9.669 12.684 -2.727 309 HH22 ARG 39 2HH2 ARG 39 -9.269 12.129 -1.137 310 H SER 40 H SER 40 -0.738 11.888 -5.711 311 HA SER 40 HA SER 40 0.658 12.108 -7.496 312 HB2 SER 40 2HB SER 40 -1.754 10.964 -8.607 313 HB3 SER 40 3HB SER 40 -0.990 12.045 -9.772 314 HG SER 40 HG SER 40 -0.266 9.584 -9.108 315 H SER 41 H SER 41 1.552 13.865 -8.406 316 HA SER 41 HA SER 41 0.348 16.387 -8.126 317 HB2 SER 41 2HB SER 41 2.859 15.758 -8.293 318 HB3 SER 41 3HB SER 41 2.616 15.876 -10.036 319 HG SER 41 HG SER 41 2.931 17.928 -9.726 320 H GLU 42 H GLU 42 0.139 14.041 -10.613 321 HA GLU 42 HA GLU 42 -0.343 15.619 -12.864 322 HB2 GLU 42 2HB GLU 42 -1.307 13.691 -13.861 323 HB3 GLU 42 3HB GLU 42 -0.038 13.113 -12.790 324 HG2 GLU 42 2HG GLU 42 -1.566 11.700 -12.012 325 HG3 GLU 42 3HG GLU 42 -2.233 13.091 -11.159 326 H THR 43 H THR 43 -2.290 15.020 -10.084 327 HA THR 43 HA THR 43 -4.838 15.564 -11.178 328 HB THR 43 HB THR 43 -3.853 15.932 -8.342 329 HG1 THR 43 HG1 THR 43 -4.708 13.879 -8.036 330 HG21 THR 43 3HG2 THR 43 -6.478 15.480 -8.073 331 HG22 THR 43 1HG2 THR 43 -6.497 16.322 -9.621 332 HG23 THR 43 2HG2 THR 43 -5.798 17.102 -8.202 333 H GLY 44 H GLY 44 -2.628 17.654 -9.305 334 HA2 GLY 44 2HA GLY 44 -3.638 19.957 -10.809 335 HA3 GLY 44 3HA GLY 44 -3.788 19.995 -9.058 336 H THR 45 H THR 45 -1.896 20.100 -7.775 337 HA THR 45 HA THR 45 0.680 20.385 -9.043 338 HB THR 45 HB THR 45 0.924 22.714 -7.861 339 HG1 THR 45 HG1 THR 45 -1.103 23.881 -8.065 340 HG21 THR 45 3HG2 THR 45 0.750 21.956 -10.427 341 HG22 THR 45 1HG2 THR 45 0.887 23.644 -9.935 342 HG23 THR 45 2HG2 THR 45 -0.693 22.966 -10.329 343 H SER 46 H SER 46 0.417 18.482 -7.397 344 HA SER 46 HA SER 46 0.507 19.063 -4.626 345 HB2 SER 46 2HB SER 46 1.119 16.747 -4.329 346 HB3 SER 46 3HB SER 46 -0.085 16.835 -5.615 347 HG SER 46 HG SER 46 2.164 15.639 -5.795 348 H THR 47 H THR 47 2.042 20.361 -3.834 349 HA THR 47 HA THR 47 4.842 19.784 -4.555 350 HB THR 47 HB THR 47 5.409 22.096 -4.231 351 HG1 THR 47 HG1 THR 47 2.730 22.839 -3.811 352 HG21 THR 47 3HG2 THR 47 2.929 22.514 -5.780 353 HG22 THR 47 1HG2 THR 47 3.976 21.208 -6.333 354 HG23 THR 47 2HG2 THR 47 4.606 22.851 -6.211 355 H VAL 48 H VAL 48 6.097 19.113 -2.946 356 HA VAL 48 HA VAL 48 5.093 19.283 -0.206 357 HB VAL 48 HB VAL 48 7.433 17.721 -1.308 358 HG11 VAL 48 1HG1 VAL 48 7.092 16.479 0.916 359 HG12 VAL 48 2HG1 VAL 48 7.909 18.043 0.954 360 HG13 VAL 48 3HG1 VAL 48 6.213 17.921 1.424 361 HG21 VAL 48 3HG2 VAL 48 5.656 16.596 -2.212 362 HG22 VAL 48 1HG2 VAL 48 5.736 15.819 -0.630 363 HG23 VAL 48 2HG2 VAL 48 4.550 17.089 -0.930 364 H THR 49 H THR 49 5.711 20.966 0.968 365 HA THR 49 HA THR 49 8.140 22.418 0.334 366 HB THR 49 HB THR 49 6.157 22.952 2.553 367 HG1 THR 49 HG1 THR 49 5.244 23.041 0.401 368 HG21 THR 49 3HG2 THR 49 8.125 24.820 1.234 369 HG22 THR 49 1HG2 THR 49 8.425 23.993 2.762 370 HG23 THR 49 2HG2 THR 49 7.104 25.154 2.632 371 H VAL 50 H VAL 50 10.024 22.249 1.372 372 HA VAL 50 HA VAL 50 10.079 20.798 3.938 373 HB VAL 50 HB VAL 50 12.098 19.699 3.355 374 HG11 VAL 50 1HG1 VAL 50 11.385 18.243 1.675 375 HG12 VAL 50 2HG1 VAL 50 9.885 18.904 2.327 376 HG13 VAL 50 3HG1 VAL 50 10.531 19.516 0.804 377 HG21 VAL 50 3HG2 VAL 50 12.157 21.630 1.069 378 HG22 VAL 50 1HG2 VAL 50 13.415 21.248 2.244 379 HG23 VAL 50 2HG2 VAL 50 13.025 20.099 0.964 380 H LEU 51 H LEU 51 11.558 21.494 5.483 381 HA LEU 51 HA LEU 51 13.102 23.910 4.870 382 HB2 LEU 51 2HB LEU 51 10.754 24.189 6.075 383 HB3 LEU 51 3HB LEU 51 11.715 23.774 7.493 384 HG LEU 51 HG LEU 51 12.205 26.112 5.649 385 HD11 LEU 51 1HD1 LEU 51 10.191 26.091 7.280 386 HD12 LEU 51 2HD1 LEU 51 11.263 27.491 7.244 387 HD13 LEU 51 3HD1 LEU 51 11.422 26.291 8.527 388 HD21 LEU 51 3HD2 LEU 51 13.929 26.769 7.178 389 HD22 LEU 51 1HD2 LEU 51 14.251 25.115 6.658 390 HD23 LEU 51 2HD2 LEU 51 13.559 25.419 8.252 391 H THR 52 H THR 52 15.139 23.346 5.246 392 HA THR 52 HA THR 52 15.948 21.226 6.917 393 HB THR 52 HB THR 52 18.172 21.816 6.430 394 HG1 THR 52 HG1 THR 52 18.632 23.993 5.598 395 HG21 THR 52 3HG2 THR 52 16.979 23.086 4.024 396 HG22 THR 52 1HG2 THR 52 16.455 21.453 4.430 397 HG23 THR 52 2HG2 THR 52 18.164 21.786 4.146 398 H TYR 53 H TYR 53 18.012 22.037 8.455 399 HA TYR 53 HA TYR 53 16.656 23.569 10.563 400 HB2 TYR 53 2HB TYR 53 18.321 21.196 10.552 401 HB3 TYR 53 3HB TYR 53 18.957 22.414 11.651 402 HD1 TYR 53 HD2 TYR 53 15.535 21.196 10.743 403 HD2 TYR 53 HD1 TYR 53 18.333 22.047 13.833 404 HE1 TYR 53 HE2 TYR 53 13.867 20.539 12.427 405 HE2 TYR 53 HE1 TYR 53 16.673 21.392 15.526 406 HH TYR 53 HH TYR 53 13.730 21.329 15.287 407 HA PRO 54 HA PRO 54 19.463 26.930 10.218 408 HB2 PRO 54 2HB PRO 54 19.499 27.803 12.788 409 HB3 PRO 54 3HB PRO 54 18.114 28.035 11.714 410 HG2 PRO 54 2HG PRO 54 18.542 25.962 13.831 411 HG3 PRO 54 3HG PRO 54 17.084 26.902 13.464 412 HD2 PRO 54 2HD PRO 54 17.412 24.342 12.645 413 HD3 PRO 54 3HD PRO 54 16.494 25.535 11.704 414 H GLY 55 H GLY 55 21.623 27.264 10.290 415 HA2 GLY 55 2HA GLY 55 23.225 25.304 11.760 416 HA3 GLY 55 3HA GLY 55 23.790 26.329 10.450 417 H THR 56 H THR 56 25.523 27.265 11.415 418 HA THR 56 HA THR 56 25.146 28.572 14.010 419 HB THR 56 HB THR 56 27.125 27.128 13.768 420 HG1 THR 56 HG1 THR 56 27.911 28.530 15.134 421 HG21 THR 56 3HG2 THR 56 28.939 27.705 12.290 422 HG22 THR 56 1HG2 THR 56 28.082 29.140 11.730 423 HG23 THR 56 2HG2 THR 56 27.466 27.535 11.335 424 H GLN 57 H GLN 57 25.786 29.253 10.640 425 HA GLN 57 HA GLN 57 25.605 32.129 11.248 426 HB2 GLN 57 2HB GLN 57 27.650 30.660 9.767 427 HB3 GLN 57 3HB GLN 57 26.967 31.994 8.847 428 HG2 GLN 57 2HG GLN 57 28.219 32.173 11.578 429 HG3 GLN 57 3HG GLN 57 28.940 32.700 10.058 430 HE21 GLN 57 1HE2 GLN 57 27.801 33.934 12.708 431 HE22 GLN 57 2HE2 GLN 57 26.972 35.334 12.128 432 H ASN 58 H ASN 58 24.849 29.499 9.058 433 HA ASN 58 HA ASN 58 23.170 31.265 7.437 434 HB2 ASN 58 2HB ASN 58 24.817 29.182 6.727 435 HB3 ASN 58 3HB ASN 58 23.230 28.418 6.726 436 HD21 ASN 58 1HD2 ASN 58 25.054 29.073 4.522 437 HD22 ASN 58 2HD2 ASN 58 24.137 30.051 3.433 438 H LYS 59 H LYS 59 20.966 30.979 7.207 439 HA LYS 59 HA LYS 59 19.706 29.340 9.297 440 HB2 LYS 59 2HB LYS 59 19.360 32.009 8.666 441 HB3 LYS 59 3HB LYS 59 17.979 31.237 7.897 442 HG2 LYS 59 2HG LYS 59 18.497 30.352 10.643 443 HG3 LYS 59 3HG LYS 59 18.061 32.055 10.480 444 HD2 LYS 59 2HD LYS 59 16.000 31.533 9.458 445 HD3 LYS 59 3HD LYS 59 16.482 29.861 9.161 446 HE2 LYS 59 2HE LYS 59 16.529 29.492 11.611 447 HE3 LYS 59 3HE LYS 59 15.928 31.133 11.839 448 HZ1 LYS 59 3HZ LYS 59 14.537 28.806 10.677 449 HZ2 LYS 59 1HZ LYS 59 14.029 30.379 10.320 450 HZ3 LYS 59 2HZ LYS 59 14.030 29.834 11.921 451 H ALA 60 H ALA 60 17.888 28.060 8.815 452 HA ALA 60 HA ALA 60 17.977 26.811 6.245 453 HB1 ALA 60 1HB ALA 60 16.177 25.387 7.114 454 HB2 ALA 60 2HB ALA 60 17.526 25.508 8.245 455 HB3 ALA 60 3HB ALA 60 16.049 26.427 8.533 456 H THR 61 H THR 61 16.576 26.948 4.556 457 HA THR 61 HA THR 61 14.572 29.100 4.700 458 HB THR 61 HB THR 61 15.265 28.075 2.033 459 HG1 THR 61 HG1 THR 61 17.354 28.253 2.260 460 HG21 THR 61 3HG2 THR 61 14.832 30.712 3.374 461 HG22 THR 61 1HG2 THR 61 13.998 30.010 1.988 462 HG23 THR 61 2HG2 THR 61 15.630 30.653 1.803 463 H TYR 62 H TYR 62 12.660 28.789 3.236 464 HA TYR 62 HA TYR 62 11.797 25.971 3.254 465 HB2 TYR 62 2HB TYR 62 9.485 26.840 3.642 466 HB3 TYR 62 3HB TYR 62 10.592 27.142 4.977 467 HD1 TYR 62 HD2 TYR 62 11.526 29.442 5.296 468 HD2 TYR 62 HD1 TYR 62 8.436 28.626 2.487 469 HE1 TYR 62 HE2 TYR 62 10.978 31.838 5.212 470 HE2 TYR 62 HE1 TYR 62 7.880 31.021 2.394 471 HH TYR 62 HH TYR 62 9.813 33.394 3.343 472 H LYS 63 H LYS 63 11.290 25.172 1.333 473 HA LYS 63 HA LYS 63 10.209 26.944 -0.733 474 HB2 LYS 63 2HB LYS 63 12.606 26.819 -1.177 475 HB3 LYS 63 3HB LYS 63 12.541 25.062 -1.138 476 HG2 LYS 63 2HG LYS 63 12.635 25.838 -3.418 477 HG3 LYS 63 3HG LYS 63 11.068 25.087 -3.103 478 HD2 LYS 63 2HD LYS 63 10.651 27.071 -4.346 479 HD3 LYS 63 3HD LYS 63 10.165 27.397 -2.680 480 HE2 LYS 63 2HE LYS 63 11.894 28.851 -2.318 481 HE3 LYS 63 3HE LYS 63 12.951 28.057 -3.484 482 HZ1 LYS 63 3HZ LYS 63 11.860 30.369 -3.992 483 HZ2 LYS 63 1HZ LYS 63 10.557 29.411 -4.488 484 HZ3 LYS 63 2HZ LYS 63 12.072 29.219 -5.215 485 H ASN 64 H ASN 64 8.953 25.895 -2.323 486 HA ASN 64 HA ASN 64 7.935 23.290 -1.450 487 HB2 ASN 64 2HB ASN 64 5.952 23.795 -2.757 488 HB3 ASN 64 3HB ASN 64 6.321 25.159 -1.706 489 HD21 ASN 64 1HD2 ASN 64 5.210 24.473 -4.620 490 HD22 ASN 64 2HD2 ASN 64 5.800 25.821 -5.527 491 H VAL 65 H VAL 65 8.324 21.495 -2.570 492 HA VAL 65 HA VAL 65 8.859 21.619 -5.428 493 HB VAL 65 HB VAL 65 10.922 20.342 -5.304 494 HG11 VAL 65 1HG1 VAL 65 11.098 22.767 -5.349 495 HG12 VAL 65 2HG1 VAL 65 11.017 22.821 -3.587 496 HG13 VAL 65 3HG1 VAL 65 12.400 22.070 -4.386 497 HG21 VAL 65 3HG2 VAL 65 10.770 19.046 -3.372 498 HG22 VAL 65 1HG2 VAL 65 12.031 20.216 -2.985 499 HG23 VAL 65 2HG2 VAL 65 10.400 20.436 -2.353 500 H ASP 66 H ASP 66 8.568 19.640 -6.503 501 HA ASP 66 HA ASP 66 6.578 17.969 -5.525 502 HB2 ASP 66 2HB ASP 66 8.475 17.877 -7.805 503 HB3 ASP 66 3HB ASP 66 7.710 16.355 -7.357 504 H SER 67 H SER 67 10.065 17.711 -5.272 505 HA SER 67 HA SER 67 10.012 16.062 -3.018 506 HB2 SER 67 2HB SER 67 9.342 14.160 -4.153 507 HB3 SER 67 3HB SER 67 10.145 14.640 -5.647 508 HG SER 67 HG SER 67 11.064 13.083 -3.661 509 H HIS 68 H HIS 68 11.775 16.913 -5.954 510 HA HIS 68 HA HIS 68 13.908 17.625 -6.301 511 HB2 HIS 68 2HB HIS 68 13.203 18.575 -3.690 512 HB3 HIS 68 3HB HIS 68 14.901 18.105 -3.689 513 HD1 HIS 68 HD1 HIS 68 15.978 20.370 -3.731 514 HD2 HIS 68 HD2 HIS 68 13.114 19.910 -6.705 515 HE1 HIS 68 HE1 HIS 68 16.193 22.406 -5.192 516 H SER 69 H SER 69 13.233 14.798 -5.501 517 HA SER 69 HA SER 69 15.381 13.718 -4.021 518 HB2 SER 69 2HB SER 69 13.701 12.173 -4.127 519 HB3 SER 69 3HB SER 69 13.226 12.645 -5.758 520 HG SER 69 HG SER 69 14.184 10.580 -5.742 521 H SER 70 H SER 70 15.112 14.795 -7.274 522 HA SER 70 HA SER 70 17.328 13.256 -8.283 523 HB2 SER 70 2HB SER 70 15.281 14.315 -9.569 524 HB3 SER 70 3HB SER 70 16.336 15.725 -9.653 525 HG SER 70 HG SER 70 16.598 13.223 -10.854 526 H ALA 71 H ALA 71 17.088 15.888 -6.274 527 HA ALA 71 HA ALA 71 19.738 16.894 -7.084 528 HB1 ALA 71 1HB ALA 71 18.195 18.665 -7.356 529 HB2 ALA 71 2HB ALA 71 17.429 18.333 -5.802 530 HB3 ALA 71 3HB ALA 71 19.064 18.993 -5.856 531 H ILE 72 H ILE 72 17.883 15.414 -4.619 532 HA ILE 72 HA ILE 72 20.128 15.722 -2.734 533 HB ILE 72 HB ILE 72 18.515 15.434 -0.890 534 HG12 ILE 72 2HG1 ILE 72 16.078 16.137 -2.078 535 HG13 ILE 72 3HG1 ILE 72 16.732 14.865 -3.103 536 HG21 ILE 72 1HG2 ILE 72 18.258 17.652 -0.753 537 HG22 ILE 72 2HG2 ILE 72 19.068 17.701 -2.318 538 HG23 ILE 72 3HG2 ILE 72 17.307 17.725 -2.236 539 HD11 ILE 72 3HD1 ILE 72 15.326 14.552 -0.737 540 HD12 ILE 72 1HD1 ILE 72 16.213 13.309 -1.618 541 HD13 ILE 72 2HD1 ILE 72 17.000 14.197 -0.313 542 H THR 73 H THR 73 20.931 13.911 -1.789 543 HA THR 73 HA THR 73 19.998 11.362 -2.859 544 HB THR 73 HB THR 73 22.154 10.721 -1.315 545 HG1 THR 73 HG1 THR 73 22.874 13.189 -2.504 546 HG21 THR 73 3HG2 THR 73 23.263 10.344 -3.316 547 HG22 THR 73 1HG2 THR 73 22.604 11.794 -4.073 548 HG23 THR 73 2HG2 THR 73 21.577 10.380 -3.833 549 H PHE 74 H PHE 74 20.300 9.464 -1.220 550 HA PHE 74 HA PHE 74 18.847 10.204 1.233 551 HB2 PHE 74 2HB PHE 74 17.815 8.647 -0.618 552 HB3 PHE 74 3HB PHE 74 18.826 7.419 0.136 553 HD1 PHE 74 HD1 PHE 74 18.437 6.754 2.468 554 HD2 PHE 74 HD2 PHE 74 15.858 9.476 0.455 555 HE1 PHE 74 HE1 PHE 74 16.719 6.396 4.192 556 HE2 PHE 74 HE2 PHE 74 14.136 9.123 2.176 557 HZ PHE 74 HZ PHE 74 14.565 7.582 4.048 558 H PHE 75 H PHE 75 20.875 10.610 2.297 559 HA PHE 75 HA PHE 75 21.796 8.427 3.813 560 HB2 PHE 75 2HB PHE 75 22.975 8.410 1.346 561 HB3 PHE 75 3HB PHE 75 24.130 9.355 2.279 562 HD1 PHE 75 HD2 PHE 75 22.044 6.327 2.937 563 HD2 PHE 75 HD1 PHE 75 25.908 8.112 2.999 564 HE1 PHE 75 HE2 PHE 75 22.984 4.252 3.865 565 HE2 PHE 75 HE1 PHE 75 26.854 6.039 3.926 566 HZ PHE 75 HZ PHE 75 25.392 4.106 4.362 567 H GLU 76 H GLU 76 24.257 9.228 4.640 568 HA GLU 76 HA GLU 76 23.874 12.031 5.460 569 HB2 GLU 76 2HB GLU 76 24.974 11.290 7.654 570 HB3 GLU 76 3HB GLU 76 23.294 10.841 7.395 571 HG2 GLU 76 2HG GLU 76 23.816 8.610 7.013 572 HG3 GLU 76 3HG GLU 76 25.510 8.965 6.679 573 HA PRO 77 HA PRO 77 28.026 12.793 4.264 574 HB2 PRO 77 2HB PRO 77 28.795 14.634 6.104 575 HB3 PRO 77 3HB PRO 77 27.658 14.996 4.800 576 HG2 PRO 77 2HG PRO 77 27.105 14.342 7.668 577 HG3 PRO 77 3HG PRO 77 26.364 15.583 6.641 578 HD2 PRO 77 2HD PRO 77 25.160 13.214 7.164 579 HD3 PRO 77 3HD PRO 77 24.948 14.074 5.625 580 H SER 78 H SER 78 30.310 13.098 5.316 581 HA SER 78 HA SER 78 30.683 10.838 7.154 582 HB2 SER 78 2HB SER 78 31.976 11.560 4.752 583 HB3 SER 78 3HB SER 78 33.150 11.825 6.041 584 HG SER 78 HG SER 78 33.268 9.743 6.360 585 H SER 79 H SER 79 30.761 14.209 7.028 586 HA SER 79 HA SER 79 31.255 15.776 8.610 587 HB2 SER 79 2HB SER 79 30.542 13.864 10.188 588 HB3 SER 79 3HB SER 79 32.268 13.606 10.437 589 HG SER 79 HG SER 79 31.749 15.032 11.982 590 H GLU 80 H GLU 80 33.729 13.309 9.297 591 HA GLU 80 HA GLU 80 35.851 15.143 9.424 592 HB2 GLU 80 2HB GLU 80 35.498 12.371 9.809 593 HB3 GLU 80 3HB GLU 80 36.778 12.541 8.616 594 HG2 GLU 80 2HG GLU 80 37.843 14.196 10.221 595 HG3 GLU 80 3HG GLU 80 36.694 13.603 11.419 596 H LYS 81 H LYS 81 34.334 13.551 6.752 597 HA LYS 81 HA LYS 81 36.505 14.048 4.910 598 HB2 LYS 81 2HB LYS 81 34.860 12.103 4.779 599 HB3 LYS 81 3HB LYS 81 33.679 13.272 4.200 600 HG2 LYS 81 2HG LYS 81 36.085 13.552 2.692 601 HG3 LYS 81 3HG LYS 81 35.602 11.855 2.714 602 HD2 LYS 81 2HD LYS 81 33.464 13.845 2.235 603 HD3 LYS 81 3HD LYS 81 34.647 13.624 0.944 604 HE2 LYS 81 2HE LYS 81 33.889 11.060 1.909 605 HE3 LYS 81 3HE LYS 81 32.422 11.990 1.613 606 HZ1 LYS 81 3HZ LYS 81 32.868 12.163 -0.610 607 HZ2 LYS 81 1HZ LYS 81 33.529 10.638 -0.293 608 HZ3 LYS 81 2HZ LYS 81 34.540 11.987 -0.420 609 H ALA 82 H ALA 82 33.928 15.827 6.189 610 HA ALA 82 HA ALA 82 33.942 17.690 3.911 611 HB1 ALA 82 1HB ALA 82 31.757 16.680 4.772 612 HB2 ALA 82 2HB ALA 82 31.957 17.751 6.160 613 HB3 ALA 82 3HB ALA 82 31.813 18.427 4.537 614 H VAL 83 H VAL 83 35.011 17.264 7.111 615 HA VAL 83 HA VAL 83 34.981 19.908 8.071 616 HB VAL 83 HB VAL 83 35.434 17.896 9.470 617 HG11 VAL 83 1HG1 VAL 83 38.307 17.927 8.901 618 HG12 VAL 83 2HG1 VAL 83 37.224 16.569 9.208 619 HG13 VAL 83 3HG1 VAL 83 37.313 17.279 7.596 620 HG21 VAL 83 3HG2 VAL 83 37.779 19.335 10.219 621 HG22 VAL 83 1HG2 VAL 83 36.567 20.478 9.641 622 HG23 VAL 83 2HG2 VAL 83 36.177 19.370 10.956 623 H THR 84 H THR 84 36.201 21.636 7.643 624 HA THR 84 HA THR 84 38.886 21.449 6.665 625 HB THR 84 HB THR 84 37.075 22.863 4.749 626 HG1 THR 84 HG1 THR 84 36.499 21.034 3.779 627 HG21 THR 84 3HG2 THR 84 38.857 22.672 3.263 628 HG22 THR 84 1HG2 THR 84 39.555 21.300 4.121 629 HG23 THR 84 2HG2 THR 84 39.665 22.919 4.810 630 H ALA 85 H ALA 85 36.122 23.705 6.502 631 HA ALA 85 HA ALA 85 36.993 25.426 8.511 632 HB1 ALA 85 1HB ALA 85 38.064 26.056 5.788 633 HB2 ALA 85 2HB ALA 85 37.719 27.345 6.940 634 HB3 ALA 85 3HB ALA 85 38.887 26.089 7.347 635 H ASN 86 H ASN 86 34.585 24.316 7.365 636 HA ASN 86 HA ASN 86 33.165 26.735 6.487 637 HB2 ASN 86 2HB ASN 86 32.551 23.799 6.178 638 HB3 ASN 86 3HB ASN 86 31.336 25.041 5.893 639 HD21 ASN 86 1HD2 ASN 86 34.629 24.126 4.975 640 HD22 ASN 86 2HD2 ASN 86 34.509 24.667 3.339 641 H GLU 87 H GLU 87 32.639 27.767 8.357 642 HA GLU 87 HA GLU 87 31.941 26.652 10.789 643 HB2 GLU 87 2HB GLU 87 30.748 28.814 11.224 644 HB3 GLU 87 3HB GLU 87 32.401 28.994 10.652 645 HG2 GLU 87 2HG GLU 87 31.424 29.300 8.340 646 HG3 GLU 87 3HG GLU 87 29.854 29.438 9.129 647 H ASP 88 H ASP 88 29.821 27.555 8.090 648 HA ASP 88 HA ASP 88 27.396 26.849 9.344 649 HB2 ASP 88 2HB ASP 88 26.520 26.740 6.971 650 HB3 ASP 88 3HB ASP 88 27.288 28.258 7.427 651 H LEU 89 H LEU 89 29.626 25.030 7.290 652 HA LEU 89 HA LEU 89 28.077 22.721 6.970 653 HB2 LEU 89 2HB LEU 89 30.229 23.368 5.787 654 HB3 LEU 89 3HB LEU 89 31.075 22.751 7.205 655 HG LEU 89 HG LEU 89 29.901 20.541 6.758 656 HD11 LEU 89 1HD1 LEU 89 28.955 22.148 4.480 657 HD12 LEU 89 2HD1 LEU 89 28.225 20.751 5.270 658 HD13 LEU 89 3HD1 LEU 89 29.518 20.522 4.093 659 HD21 LEU 89 3HD2 LEU 89 32.211 21.741 5.558 660 HD22 LEU 89 1HD2 LEU 89 31.484 20.586 4.440 661 HD23 LEU 89 2HD2 LEU 89 31.954 20.069 6.060 662 H LEU 90 H LEU 90 30.208 23.746 9.570 663 HA LEU 90 HA LEU 90 30.413 21.326 10.956 664 HB2 LEU 90 2HB LEU 90 31.817 23.190 11.511 665 HB3 LEU 90 3HB LEU 90 30.419 24.169 11.949 666 HG LEU 90 HG LEU 90 30.030 22.821 13.910 667 HD11 LEU 90 1HD1 LEU 90 31.726 21.053 14.505 668 HD12 LEU 90 2HD1 LEU 90 32.263 21.123 12.827 669 HD13 LEU 90 3HD1 LEU 90 30.609 20.642 13.203 670 HD21 LEU 90 3HD2 LEU 90 32.330 24.401 13.461 671 HD22 LEU 90 1HD2 LEU 90 32.813 23.047 14.483 672 HD23 LEU 90 2HD2 LEU 90 31.489 24.100 14.983 673 H GLN 91 H GLN 91 28.085 23.986 11.380 674 HA GLN 91 HA GLN 91 26.582 22.719 13.404 675 HB2 GLN 91 2HB GLN 91 26.597 25.212 12.228 676 HB3 GLN 91 3HB GLN 91 25.063 24.540 11.690 677 HG2 GLN 91 2HG GLN 91 25.837 24.417 14.573 678 HG3 GLN 91 3HG GLN 91 25.163 25.894 13.886 679 HE21 GLN 91 1HE2 GLN 91 23.546 25.314 15.607 680 HE22 GLN 91 2HE2 GLN 91 22.216 24.322 15.125 681 H ALA 92 H ALA 92 26.298 22.762 9.889 682 HA ALA 92 HA ALA 92 23.804 21.490 9.678 683 HB1 ALA 92 1HB ALA 92 24.185 21.995 7.554 684 HB2 ALA 92 2HB ALA 92 25.880 22.331 7.910 685 HB3 ALA 92 3HB ALA 92 25.377 20.697 7.476 686 H ILE 93 H ILE 93 27.078 20.202 9.954 687 HA ILE 93 HA ILE 93 26.517 17.513 9.416 688 HB ILE 93 HB ILE 93 28.628 18.734 11.193 689 HG12 ILE 93 2HG1 ILE 93 29.231 17.404 8.604 690 HG13 ILE 93 3HG1 ILE 93 28.418 18.963 8.528 691 HG21 ILE 93 1HG2 ILE 93 27.859 15.961 10.818 692 HG22 ILE 93 2HG2 ILE 93 29.541 16.257 10.383 693 HG23 ILE 93 3HG2 ILE 93 28.960 16.680 11.993 694 HD11 ILE 93 3HD1 ILE 93 30.483 19.316 10.358 695 HD12 ILE 93 1HD1 ILE 93 31.177 18.355 9.053 696 HD13 ILE 93 2HD1 ILE 93 30.411 19.904 8.697 697 H ARG 94 H ARG 94 26.261 19.386 12.389 698 HA ARG 94 HA ARG 94 25.784 17.204 14.125 699 HB2 ARG 94 2HB ARG 94 26.050 19.987 14.369 700 HB3 ARG 94 3HB ARG 94 24.443 19.617 14.979 701 HG2 ARG 94 2HG ARG 94 25.337 18.088 16.590 702 HG3 ARG 94 3HG ARG 94 26.954 18.239 15.900 703 HD2 ARG 94 2HD ARG 94 25.867 20.824 16.586 704 HD3 ARG 94 3HD ARG 94 25.856 19.742 17.978 705 HE ARG 94 HE ARG 94 28.354 19.649 16.636 706 HH11 ARG 94 1HH1 ARG 94 26.442 21.610 18.785 707 HH12 ARG 94 2HH1 ARG 94 27.814 22.361 19.531 708 HH21 ARG 94 1HH2 ARG 94 30.168 20.631 17.609 709 HH22 ARG 94 2HH2 ARG 94 29.933 21.804 18.860 710 H ASN 95 H ASN 95 23.580 19.451 12.470 711 HA ASN 95 HA ASN 95 21.180 18.432 13.459 712 HB2 ASN 95 2HB ASN 95 21.605 19.579 10.693 713 HB3 ASN 95 3HB ASN 95 20.103 19.552 11.612 714 HD21 ASN 95 1HD2 ASN 95 21.143 21.877 10.556 715 HD22 ASN 95 2HD2 ASN 95 21.648 22.910 11.845 716 H ALA 96 H ALA 96 22.689 17.726 10.302 717 HA ALA 96 HA ALA 96 20.992 15.795 9.378 718 HB1 ALA 96 1HB ALA 96 22.518 15.513 7.772 719 HB2 ALA 96 2HB ALA 96 23.436 16.770 8.601 720 HB3 ALA 96 3HB ALA 96 23.779 15.070 8.923 721 H GLU 97 H GLU 97 23.487 15.459 11.830 722 HA GLU 97 HA GLU 97 23.374 12.616 11.980 723 HB2 GLU 97 2HB GLU 97 25.354 13.670 12.776 724 HB3 GLU 97 3HB GLU 97 24.444 14.732 13.842 725 HG2 GLU 97 2HG GLU 97 25.547 13.013 15.120 726 HG3 GLU 97 3HG GLU 97 23.799 12.802 15.203 727 H GLU 98 H GLU 98 21.870 15.242 13.821 728 HA GLU 98 HA GLU 98 20.564 13.553 15.693 729 HB2 GLU 98 2HB GLU 98 19.832 15.473 16.636 730 HB3 GLU 98 3HB GLU 98 21.009 16.217 15.563 731 HG2 GLU 98 2HG GLU 98 19.171 16.491 13.886 732 HG3 GLU 98 3HG GLU 98 18.046 15.962 15.135 733 H ASP 99 H ASP 99 19.710 14.808 12.537 734 HA ASP 99 HA ASP 99 16.974 13.881 12.717 735 HB2 ASP 99 2HB ASP 99 18.607 15.296 10.642 736 HB3 ASP 99 3HB ASP 99 17.102 14.512 10.171 737 H LYS 100 H LYS 100 16.875 11.698 12.852 738 HA LYS 100 HA LYS 100 17.932 10.195 10.557 739 HB2 LYS 100 2HB LYS 100 18.579 9.850 13.379 740 HB3 LYS 100 3HB LYS 100 17.958 8.375 12.650 741 HG2 LYS 100 2HG LYS 100 19.770 8.102 11.325 742 HG3 LYS 100 3HG LYS 100 20.024 9.837 11.126 743 HD2 LYS 100 2HD LYS 100 21.830 8.791 12.418 744 HD3 LYS 100 3HD LYS 100 20.943 9.980 13.375 745 HE2 LYS 100 2HE LYS 100 19.728 8.244 14.505 746 HE3 LYS 100 3HE LYS 100 20.414 7.013 13.447 747 HZ1 LYS 100 3HZ LYS 100 22.516 7.260 14.420 748 HZ2 LYS 100 1HZ LYS 100 21.440 7.255 15.726 749 HZ3 LYS 100 2HZ LYS 100 22.103 8.713 15.183 750 H GLU 101 H GLU 101 15.308 11.238 10.925 751 HA GLU 101 HA GLU 101 13.143 10.596 10.644 752 HB2 GLU 101 2HB GLU 101 14.698 8.435 9.647 753 HB3 GLU 101 3HB GLU 101 13.348 7.749 10.538 754 HG2 GLU 101 2HG GLU 101 11.884 8.308 8.963 755 HG3 GLU 101 3HG GLU 101 12.544 9.935 8.805 756 H SER 102 H SER 102 14.611 10.464 13.300 757 HA SER 102 HA SER 102 12.382 9.441 14.814 758 HB2 SER 102 2HB SER 102 13.900 7.441 14.363 759 HB3 SER 102 3HB SER 102 15.091 8.238 15.390 760 HG SER 102 HG SER 102 12.762 6.938 16.067 761 H ASN 103 H ASN 103 13.877 11.955 14.355 762 HA ASN 103 HA ASN 103 15.427 12.604 16.621 763 HB2 ASN 103 2HB ASN 103 15.063 13.845 14.310 764 HB3 ASN 103 3HB ASN 103 13.829 14.707 15.224 765 HD21 ASN 103 1HD2 ASN 103 14.916 16.649 15.138 766 HD22 ASN 103 2HD2 ASN 103 16.360 16.949 16.037 767 H ALA 104 H ALA 104 14.912 13.429 18.588 768 HA ALA 104 HA ALA 104 13.675 13.931 20.431 769 HB1 ALA 104 1HB ALA 104 12.918 15.772 18.883 770 HB2 ALA 104 2HB ALA 104 11.490 14.792 18.550 771 HB3 ALA 104 3HB ALA 104 11.805 15.363 20.188 772 H LEU 105 H LEU 105 13.430 11.294 19.057 773 HA LEU 105 HA LEU 105 10.775 10.492 20.047 774 HB2 LEU 105 2HB LEU 105 11.913 10.034 17.596 775 HB3 LEU 105 3HB LEU 105 12.264 8.539 18.460 776 HG LEU 105 HG LEU 105 9.478 9.438 18.673 777 HD11 LEU 105 1HD1 LEU 105 10.435 8.390 16.021 778 HD12 LEU 105 2HD1 LEU 105 10.137 10.100 16.333 779 HD13 LEU 105 3HD1 LEU 105 8.816 8.938 16.458 780 HD21 LEU 105 3HD2 LEU 105 9.989 7.315 19.532 781 HD22 LEU 105 1HD2 LEU 105 10.942 6.875 18.115 782 HD23 LEU 105 2HD2 LEU 105 9.187 6.998 17.993 783 H ARG 106 H ARG 106 14.216 9.838 20.195 784 HA ARG 106 HA ARG 106 13.788 7.682 22.124 785 HB2 ARG 106 2HB ARG 106 16.184 7.261 21.909 786 HB3 ARG 106 3HB ARG 106 15.416 7.304 20.327 787 HG2 ARG 106 2HG ARG 106 16.284 9.485 19.887 788 HG3 ARG 106 3HG ARG 106 16.886 9.631 21.540 789 HD2 ARG 106 2HD ARG 106 17.831 7.286 20.021 790 HD3 ARG 106 3HD ARG 106 18.400 8.854 19.449 791 HE ARG 106 HE ARG 106 18.742 8.739 22.226 792 HH11 ARG 106 1HH1 ARG 106 19.993 7.272 19.328 793 HH12 ARG 106 2HH1 ARG 106 21.558 6.961 20.005 794 HH21 ARG 106 1HH2 ARG 106 20.797 8.334 23.129 795 HH22 ARG 106 2HH2 ARG 106 22.013 7.564 22.167 796 H PHE 107 H PHE 107 14.896 10.977 21.910 797 HA PHE 107 HA PHE 107 15.802 10.945 24.690 798 HB2 PHE 107 2HB PHE 107 16.625 12.352 22.384 799 HB3 PHE 107 3HB PHE 107 15.932 13.549 23.474 800 HD1 PHE 107 HD1 PHE 107 18.401 10.779 23.335 801 HD2 PHE 107 HD2 PHE 107 17.173 14.374 25.255 802 HE1 PHE 107 HE1 PHE 107 20.489 10.793 24.637 803 HE2 PHE 107 HE2 PHE 107 19.259 14.394 26.559 804 HZ PHE 107 HZ PHE 107 20.921 12.603 26.251 805 H GLU 108 H GLU 108 15.259 13.355 25.656 806 HA GLU 108 HA GLU 108 12.437 13.222 26.173 807 HB2 GLU 108 2HB GLU 108 14.646 15.016 27.160 808 HB3 GLU 108 3HB GLU 108 12.965 15.276 27.605 809 HG2 GLU 108 2HG GLU 108 13.015 12.821 28.374 810 HG3 GLU 108 3HG GLU 108 14.768 12.999 28.315 811 HA PRO 109 HA PRO 109 11.024 16.135 23.197 812 HB2 PRO 109 2HB PRO 109 8.778 17.003 24.451 813 HB3 PRO 109 3HB PRO 109 8.905 15.406 23.705 814 HG2 PRO 109 2HG PRO 109 9.187 16.181 26.583 815 HG3 PRO 109 3HG PRO 109 8.335 14.796 25.876 816 HD2 PRO 109 2HD PRO 109 10.797 14.582 26.983 817 HD3 PRO 109 3HD PRO 109 10.273 13.576 25.617 818 H THR 110 H THR 110 9.930 18.470 23.298 819 HA THR 110 HA THR 110 11.605 20.116 25.082 820 HB THR 110 HB THR 110 10.691 20.854 22.296 821 HG1 THR 110 HG1 THR 110 12.315 19.203 22.315 822 HG21 THR 110 3HG2 THR 110 11.583 22.443 24.439 823 HG22 THR 110 1HG2 THR 110 11.366 22.927 22.758 824 HG23 THR 110 2HG2 THR 110 12.933 22.334 23.309 Start of MODEL 4 1 H1 MET 1 H MET 1 4.471 4.807 -8.445 2 HA MET 1 HA MET 1 5.254 2.683 -7.731 3 HB2 MET 1 2HB MET 1 7.566 3.489 -9.457 4 HB3 MET 1 3HB MET 1 7.791 2.263 -8.217 5 HG2 MET 1 2HG MET 1 5.523 1.986 -10.122 6 HG3 MET 1 3HG MET 1 7.156 1.611 -10.668 7 HE1 MET 1 3HE MET 1 7.581 -0.464 -11.030 8 HE2 MET 1 1HE MET 1 8.535 -0.818 -9.590 9 HE3 MET 1 2HE MET 1 7.238 -1.909 -10.078 10 H LEU 2 H LEU 2 5.453 2.810 -5.603 11 HA LEU 2 HA LEU 2 6.872 4.987 -4.361 12 HB2 LEU 2 2HB LEU 2 4.702 3.505 -3.661 13 HB3 LEU 2 3HB LEU 2 5.958 2.769 -2.667 14 HG LEU 2 HG LEU 2 6.114 5.619 -2.435 15 HD11 LEU 2 1HD1 LEU 2 3.909 6.042 -2.842 16 HD12 LEU 2 2HD1 LEU 2 3.823 5.635 -1.128 17 HD13 LEU 2 3HD1 LEU 2 3.390 4.432 -2.343 18 HD21 LEU 2 3HD2 LEU 2 6.766 3.617 -0.889 19 HD22 LEU 2 1HD2 LEU 2 5.115 3.798 -0.293 20 HD23 LEU 2 2HD2 LEU 2 6.244 5.149 -0.186 21 H GLN 3 H GLN 3 8.106 4.175 -2.212 22 HA GLN 3 HA GLN 3 10.225 2.391 -3.202 23 HB2 GLN 3 2HB GLN 3 10.356 4.524 -1.063 24 HB3 GLN 3 3HB GLN 3 11.701 3.519 -1.585 25 HG2 GLN 3 2HG GLN 3 10.409 4.911 -3.786 26 HG3 GLN 3 3HG GLN 3 11.057 6.000 -2.561 27 HE21 GLN 3 1HE2 GLN 3 13.322 5.515 -1.872 28 HE22 GLN 3 2HE2 GLN 3 14.440 5.044 -3.102 29 H GLU 4 H GLU 4 11.506 1.469 -1.168 30 HA GLU 4 HA GLU 4 9.507 -0.033 0.356 31 HB2 GLU 4 2HB GLU 4 11.538 -1.007 -1.056 32 HB3 GLU 4 3HB GLU 4 12.405 -0.720 0.446 33 HG2 GLU 4 2HG GLU 4 10.017 -2.003 1.161 34 HG3 GLU 4 3HG GLU 4 10.637 -2.858 -0.250 35 H ARG 5 H ARG 5 12.209 2.149 0.736 36 HA ARG 5 HA ARG 5 12.653 1.812 3.492 37 HB2 ARG 5 2HB ARG 5 13.534 3.585 1.408 38 HB3 ARG 5 3HB ARG 5 13.154 4.516 2.851 39 HG2 ARG 5 2HG ARG 5 14.821 2.064 3.119 40 HG3 ARG 5 3HG ARG 5 15.548 3.536 2.471 41 HD2 ARG 5 2HD ARG 5 14.280 4.558 4.605 42 HD3 ARG 5 3HD ARG 5 14.589 2.927 5.199 43 HE ARG 5 HE ARG 5 16.499 5.010 4.861 44 HH11 ARG 5 1HH1 ARG 5 16.080 1.557 4.698 45 HH12 ARG 5 2HH1 ARG 5 17.743 1.209 5.039 46 HH21 ARG 5 1HH2 ARG 5 18.690 4.563 5.311 47 HH22 ARG 5 2HH2 ARG 5 19.226 2.919 5.388 48 H VAL 6 H VAL 6 12.381 4.060 4.852 49 HA VAL 6 HA VAL 6 9.495 4.663 4.780 50 HB VAL 6 HB VAL 6 11.211 4.557 7.262 51 HG11 VAL 6 1HG1 VAL 6 8.728 4.333 8.172 52 HG12 VAL 6 2HG1 VAL 6 9.481 5.903 7.885 53 HG13 VAL 6 3HG1 VAL 6 8.375 5.223 6.691 54 HG21 VAL 6 3HG2 VAL 6 11.103 2.327 6.913 55 HG22 VAL 6 1HG2 VAL 6 9.476 2.520 7.567 56 HG23 VAL 6 2HG2 VAL 6 9.723 2.455 5.822 57 H PHE 7 H PHE 7 8.844 6.762 5.215 58 HA PHE 7 HA PHE 7 11.005 8.765 5.216 59 HB2 PHE 7 2HB PHE 7 8.202 9.145 4.153 60 HB3 PHE 7 3HB PHE 7 9.572 10.235 3.963 61 HD1 PHE 7 HD2 PHE 7 11.451 9.607 2.484 62 HD2 PHE 7 HD1 PHE 7 7.887 7.292 2.713 63 HE1 PHE 7 HE2 PHE 7 12.037 8.502 0.366 64 HE2 PHE 7 HE1 PHE 7 8.467 6.183 0.595 65 HZ PHE 7 HZ PHE 7 10.544 6.789 -0.582 66 H HIS 8 H HIS 8 11.121 10.103 6.894 67 HA HIS 8 HA HIS 8 8.748 10.400 8.615 68 HB2 HIS 8 2HB HIS 8 10.785 9.009 9.481 69 HB3 HIS 8 3HB HIS 8 11.531 10.586 9.718 70 HD1 HIS 8 HD1 HIS 8 7.872 10.118 10.340 71 HD2 HIS 8 HD2 HIS 8 11.412 10.364 12.501 72 HE1 HIS 8 HE1 HIS 8 7.177 10.369 12.744 73 H ILE 9 H ILE 9 8.943 12.384 10.062 74 HA ILE 9 HA ILE 9 8.981 14.687 8.537 75 HB ILE 9 HB ILE 9 7.881 14.656 10.682 76 HG12 ILE 9 2HG1 ILE 9 10.175 16.614 10.868 77 HG13 ILE 9 3HG1 ILE 9 8.818 16.815 9.766 78 HG21 ILE 9 1HG2 ILE 9 9.540 13.151 11.780 79 HG22 ILE 9 2HG2 ILE 9 10.599 14.546 11.975 80 HG23 ILE 9 3HG2 ILE 9 9.029 14.513 12.776 81 HD11 ILE 9 3HD1 ILE 9 8.634 16.669 12.765 82 HD12 ILE 9 1HD1 ILE 9 8.544 18.137 11.791 83 HD13 ILE 9 2HD1 ILE 9 7.288 16.907 11.651 84 H ASN 10 H ASN 10 11.575 13.271 10.476 85 HA ASN 10 HA ASN 10 13.412 15.395 10.175 86 HB2 ASN 10 2HB ASN 10 14.123 12.484 10.556 87 HB3 ASN 10 3HB ASN 10 15.062 13.892 11.042 88 HD21 ASN 10 1HD2 ASN 10 12.964 11.546 12.067 89 HD22 ASN 10 2HD2 ASN 10 12.438 12.273 13.544 90 H ASP 11 H ASP 11 12.998 12.351 8.391 91 HA ASP 11 HA ASP 11 13.881 11.615 6.415 92 HB2 ASP 11 2HB ASP 11 12.306 13.709 5.912 93 HB3 ASP 11 3HB ASP 11 13.824 14.384 5.324 94 H ARG 12 H ARG 12 15.972 11.085 7.063 95 HA ARG 12 HA ARG 12 18.068 13.051 7.095 96 HB2 ARG 12 2HB ARG 12 19.550 11.043 7.397 97 HB3 ARG 12 3HB ARG 12 18.287 11.218 8.608 98 HG2 ARG 12 2HG ARG 12 17.531 9.191 8.154 99 HG3 ARG 12 3HG ARG 12 17.291 9.630 6.462 100 HD2 ARG 12 2HD ARG 12 18.802 7.971 6.148 101 HD3 ARG 12 3HD ARG 12 19.938 9.289 6.434 102 HE ARG 12 HE ARG 12 20.557 8.278 8.389 103 HH11 ARG 12 1HH1 ARG 12 17.535 6.921 7.317 104 HH12 ARG 12 2HH1 ARG 12 17.516 5.678 8.524 105 HH21 ARG 12 1HH2 ARG 12 20.542 6.646 9.983 106 HH22 ARG 12 2HH2 ARG 12 19.226 5.523 10.040 107 H VAL 13 H VAL 13 18.622 13.942 5.201 108 HA VAL 13 HA VAL 13 19.577 12.173 3.085 109 HB VAL 13 HB VAL 13 18.452 13.663 1.364 110 HG11 VAL 13 1HG1 VAL 13 17.756 11.333 1.976 111 HG12 VAL 13 2HG1 VAL 13 16.556 12.046 3.056 112 HG13 VAL 13 3HG1 VAL 13 16.470 12.344 1.319 113 HG21 VAL 13 3HG2 VAL 13 17.848 15.349 3.248 114 HG22 VAL 13 1HG2 VAL 13 16.707 15.071 1.932 115 HG23 VAL 13 2HG2 VAL 13 16.454 14.298 3.497 116 H TRP 14 H TRP 14 20.598 13.576 1.280 117 HA TRP 14 HA TRP 14 22.066 15.789 2.561 118 HB2 TRP 14 2HB TRP 14 23.014 13.408 1.217 119 HB3 TRP 14 3HB TRP 14 23.611 14.858 0.414 120 HD1 TRP 14 HD1 TRP 14 23.109 14.626 4.221 121 HE1 TRP 14 HE1 TRP 14 25.405 14.883 5.357 122 HE3 TRP 14 HE3 TRP 14 26.079 14.622 0.060 123 HZ2 TRP 14 HZ2 TRP 14 28.115 15.061 4.590 124 HZ3 TRP 14 HZ3 TRP 14 28.513 14.840 0.348 125 HH2 TRP 14 HH2 TRP 14 29.508 15.055 2.567 126 H LEU 15 H LEU 15 22.114 17.710 1.546 127 HA LEU 15 HA LEU 15 20.999 17.843 -1.179 128 HB2 LEU 15 2HB LEU 15 19.558 18.743 0.708 129 HB3 LEU 15 3HB LEU 15 20.766 20.013 0.889 130 HG LEU 15 HG LEU 15 19.625 19.647 -1.817 131 HD11 LEU 15 1HD1 LEU 15 17.526 20.422 -1.404 132 HD12 LEU 15 2HD1 LEU 15 17.998 21.246 0.081 133 HD13 LEU 15 3HD1 LEU 15 17.782 19.496 0.075 134 HD21 LEU 15 3HD2 LEU 15 20.589 21.629 -2.060 135 HD22 LEU 15 1HD2 LEU 15 21.111 21.576 -0.376 136 HD23 LEU 15 2HD2 LEU 15 19.560 22.304 -0.795 137 H LYS 16 H LYS 16 22.285 18.706 -2.665 138 HA LYS 16 HA LYS 16 24.803 19.900 -1.846 139 HB2 LYS 16 2HB LYS 16 23.746 18.604 -4.258 140 HB3 LYS 16 3HB LYS 16 24.777 19.990 -4.590 141 HG2 LYS 16 2HG LYS 16 25.558 17.666 -2.842 142 HG3 LYS 16 3HG LYS 16 25.984 17.831 -4.548 143 HD2 LYS 16 2HD LYS 16 26.695 19.867 -2.442 144 HD3 LYS 16 3HD LYS 16 27.766 18.553 -2.933 145 HE2 LYS 16 2HE LYS 16 26.636 20.643 -4.791 146 HE3 LYS 16 3HE LYS 16 28.246 20.701 -4.075 147 HZ1 LYS 16 3HZ LYS 16 29.017 19.280 -5.581 148 HZ2 LYS 16 1HZ LYS 16 27.577 19.515 -6.438 149 HZ3 LYS 16 2HZ LYS 16 27.724 18.209 -5.374 150 H THR 17 H THR 17 25.290 22.006 -1.934 151 HA THR 17 HA THR 17 23.204 23.850 -2.833 152 HB THR 17 HB THR 17 25.693 24.834 -1.519 153 HG1 THR 17 HG1 THR 17 24.671 24.311 0.538 154 HG21 THR 17 3HG2 THR 17 24.308 26.525 -0.697 155 HG22 THR 17 1HG2 THR 17 22.849 25.554 -0.888 156 HG23 THR 17 2HG2 THR 17 23.660 26.215 -2.307 157 H GLY 18 H GLY 18 26.370 22.733 -3.668 158 HA2 GLY 18 2HA GLY 18 26.285 24.272 -6.119 159 HA3 GLY 18 3HA GLY 18 27.594 24.710 -5.032 160 H ALA 19 H ALA 19 29.391 23.458 -4.936 161 HA ALA 19 HA ALA 19 29.376 20.985 -6.542 162 HB1 ALA 19 1HB ALA 19 31.247 21.575 -7.669 163 HB2 ALA 19 2HB ALA 19 30.657 23.201 -7.323 164 HB3 ALA 19 3HB ALA 19 31.913 22.485 -6.313 165 H ASN 20 H ASN 20 30.796 22.715 -3.809 166 HA ASN 20 HA ASN 20 31.592 20.112 -2.680 167 HB2 ASN 20 2HB ASN 20 33.051 22.749 -2.625 168 HB3 ASN 20 3HB ASN 20 33.390 21.477 -1.456 169 HD21 ASN 20 1HD2 ASN 20 34.140 19.435 -2.256 170 HD22 ASN 20 2HD2 ASN 20 35.021 19.363 -3.740 171 H THR 21 H THR 21 29.528 22.652 -2.402 172 HA THR 21 HA THR 21 29.488 22.655 0.528 173 HB THR 21 HB THR 21 27.453 24.309 -0.708 174 HG1 THR 21 HG1 THR 21 28.608 25.350 -2.147 175 HG21 THR 21 3HG2 THR 21 29.828 25.365 0.761 176 HG22 THR 21 1HG2 THR 21 28.671 24.350 1.621 177 HG23 THR 21 2HG2 THR 21 28.136 25.850 0.864 178 H TRP 22 H TRP 22 28.066 21.476 1.623 179 HA TRP 22 HA TRP 22 25.561 20.683 0.307 180 HB2 TRP 22 2HB TRP 22 25.755 18.420 1.110 181 HB3 TRP 22 3HB TRP 22 27.224 18.816 0.222 182 HD1 TRP 22 HD1 TRP 22 29.482 18.599 1.490 183 HE1 TRP 22 HE1 TRP 22 30.143 17.915 3.882 184 HE3 TRP 22 HE3 TRP 22 24.846 18.594 3.645 185 HZ2 TRP 22 HZ2 TRP 22 28.869 17.436 6.354 186 HZ3 TRP 22 HZ3 TRP 22 24.653 18.011 6.028 187 HH2 TRP 22 HH2 TRP 22 26.624 17.444 7.353 188 H TRP 23 H TRP 23 23.788 20.384 1.678 189 HA TRP 23 HA TRP 23 24.169 20.989 4.517 190 HB2 TRP 23 2HB TRP 23 22.482 22.551 2.579 191 HB3 TRP 23 3HB TRP 23 22.074 22.496 4.292 192 HD1 TRP 23 HD1 TRP 23 25.166 22.626 5.324 193 HE1 TRP 23 HE1 TRP 23 26.374 24.896 5.219 194 HE3 TRP 23 HE3 TRP 23 22.229 24.947 1.843 195 HZ2 TRP 23 HZ2 TRP 23 26.115 27.348 3.843 196 HZ3 TRP 23 HZ3 TRP 23 22.776 27.255 1.188 197 HH2 TRP 23 HH2 TRP 23 24.679 28.429 2.169 198 HA PRO 24 HA PRO 24 21.204 17.803 5.117 199 HB2 PRO 24 2HB PRO 24 20.175 18.545 7.517 200 HB3 PRO 24 3HB PRO 24 21.794 17.858 7.337 201 HG2 PRO 24 2HG PRO 24 20.973 20.723 7.619 202 HG3 PRO 24 3HG PRO 24 22.320 19.864 8.389 203 HD2 PRO 24 2HD PRO 24 22.657 21.468 6.234 204 HD3 PRO 24 3HD PRO 24 23.660 20.032 6.521 205 H ALA 25 H ALA 25 19.114 17.388 4.621 206 HA ALA 25 HA ALA 25 17.231 19.653 4.581 207 HB1 ALA 25 1HB ALA 25 16.257 18.688 2.510 208 HB2 ALA 25 2HB ALA 25 17.911 19.269 2.311 209 HB3 ALA 25 3HB ALA 25 17.596 17.541 2.463 210 H LYS 26 H LYS 26 15.273 19.285 5.446 211 HA LYS 26 HA LYS 26 14.529 16.502 6.059 212 HB2 LYS 26 2HB LYS 26 13.674 17.190 8.216 213 HB3 LYS 26 3HB LYS 26 15.362 17.664 8.082 214 HG2 LYS 26 2HG LYS 26 14.637 19.636 8.844 215 HG3 LYS 26 3HG LYS 26 14.118 19.899 7.178 216 HD2 LYS 26 2HD LYS 26 12.026 20.100 7.905 217 HD3 LYS 26 3HD LYS 26 12.078 18.415 8.429 218 HE2 LYS 26 2HE LYS 26 13.161 19.258 10.558 219 HE3 LYS 26 3HE LYS 26 12.724 20.881 10.027 220 HZ1 LYS 26 3HZ LYS 26 10.609 18.872 10.040 221 HZ2 LYS 26 1HZ LYS 26 10.538 20.521 10.414 222 HZ3 LYS 26 2HZ LYS 26 11.150 19.422 11.546 223 H VAL 27 H VAL 27 12.568 15.933 5.377 224 HA VAL 27 HA VAL 27 10.846 17.956 4.198 225 HB VAL 27 HB VAL 27 10.422 14.967 4.283 226 HG11 VAL 27 1HG1 VAL 27 8.874 17.184 3.286 227 HG12 VAL 27 2HG1 VAL 27 9.310 16.081 1.978 228 HG13 VAL 27 3HG1 VAL 27 8.449 15.476 3.394 229 HG21 VAL 27 3HG2 VAL 27 12.286 14.922 3.016 230 HG22 VAL 27 1HG2 VAL 27 11.201 15.488 1.746 231 HG23 VAL 27 2HG2 VAL 27 12.196 16.641 2.635 232 H THR 28 H THR 28 9.235 18.870 5.271 233 HA THR 28 HA THR 28 8.387 17.824 7.830 234 HB THR 28 HB THR 28 8.658 20.214 7.667 235 HG1 THR 28 HG1 THR 28 7.026 20.147 9.017 236 HG21 THR 28 3HG2 THR 28 6.786 21.371 6.185 237 HG22 THR 28 1HG2 THR 28 6.952 19.884 5.253 238 HG23 THR 28 2HG2 THR 28 8.353 20.924 5.514 239 H SER 29 H SER 29 7.536 17.188 4.703 240 HA SER 29 HA SER 29 5.797 16.083 3.736 241 HB2 SER 29 2HB SER 29 6.002 14.910 6.124 242 HB3 SER 29 3HB SER 29 4.409 15.637 6.336 243 HG SER 29 HG SER 29 4.132 14.615 4.070 244 H VAL 30 H VAL 30 5.543 18.699 3.530 245 HA VAL 30 HA VAL 30 2.716 19.247 4.168 246 HB VAL 30 HB VAL 30 4.970 21.242 3.909 247 HG11 VAL 30 1HG1 VAL 30 3.289 22.579 3.224 248 HG12 VAL 30 2HG1 VAL 30 2.038 21.520 3.878 249 HG13 VAL 30 3HG1 VAL 30 2.899 22.633 4.942 250 HG21 VAL 30 3HG2 VAL 30 4.771 21.602 6.241 251 HG22 VAL 30 1HG2 VAL 30 3.296 20.640 6.336 252 HG23 VAL 30 2HG2 VAL 30 4.843 19.854 6.020 253 H THR 31 H THR 31 1.509 19.103 2.404 254 HA THR 31 HA THR 31 2.609 19.308 -0.235 255 HB THR 31 HB THR 31 0.790 17.754 0.162 256 HG1 THR 31 HG1 THR 31 -0.176 18.199 -1.713 257 HG21 THR 31 3HG2 THR 31 -1.336 19.749 0.380 258 HG22 THR 31 1HG2 THR 31 -0.267 19.701 1.782 259 HG23 THR 31 2HG2 THR 31 -1.105 18.239 1.262 260 H GLY 32 H GLY 32 1.610 20.734 -1.908 261 HA2 GLY 32 2HA GLY 32 1.091 23.413 -0.770 262 HA3 GLY 32 3HA GLY 32 2.017 23.147 -2.240 263 H VAL 33 H VAL 33 -0.995 21.549 -1.322 264 HA VAL 33 HA VAL 33 -2.521 23.156 -3.202 265 HB VAL 33 HB VAL 33 -2.173 20.180 -3.588 266 HG11 VAL 33 1HG1 VAL 33 -4.270 20.237 -4.355 267 HG12 VAL 33 2HG1 VAL 33 -4.315 22.001 -4.345 268 HG13 VAL 33 3HG1 VAL 33 -3.620 21.143 -5.721 269 HG21 VAL 33 3HG2 VAL 33 -1.307 22.584 -5.168 270 HG22 VAL 33 1HG2 VAL 33 -0.330 21.237 -4.583 271 HG23 VAL 33 2HG2 VAL 33 -1.469 20.990 -5.907 272 H GLU 34 H GLU 34 -3.030 19.895 -1.882 273 HA GLU 34 HA GLU 34 -4.594 20.597 0.315 274 HB2 GLU 34 2HB GLU 34 -6.862 19.969 -0.654 275 HB3 GLU 34 3HB GLU 34 -6.235 21.555 -1.082 276 HG2 GLU 34 2HG GLU 34 -6.058 21.047 -3.261 277 HG3 GLU 34 3HG GLU 34 -5.543 19.391 -2.943 278 H GLY 35 H GLY 35 -2.662 18.639 -0.513 279 HA2 GLY 35 2HA GLY 35 -2.359 16.469 0.359 280 HA3 GLY 35 3HA GLY 35 -4.103 16.252 0.362 281 H VAL 36 H VAL 36 -2.018 17.304 -2.301 282 HA VAL 36 HA VAL 36 -3.190 15.262 -4.000 283 HB VAL 36 HB VAL 36 -1.131 17.348 -4.725 284 HG11 VAL 36 1HG1 VAL 36 -2.179 16.952 -7.022 285 HG12 VAL 36 2HG1 VAL 36 -1.110 15.698 -6.391 286 HG13 VAL 36 3HG1 VAL 36 -2.859 15.484 -6.323 287 HG21 VAL 36 3HG2 VAL 36 -3.177 18.379 -3.842 288 HG22 VAL 36 1HG2 VAL 36 -2.981 18.683 -5.568 289 HG23 VAL 36 2HG2 VAL 36 -4.133 17.469 -5.012 290 H ASP 37 H ASP 37 -0.416 15.651 -2.084 291 HA ASP 37 HA ASP 37 1.577 14.333 -3.479 292 HB2 ASP 37 2HB ASP 37 1.551 15.433 -1.093 293 HB3 ASP 37 3HB ASP 37 1.212 13.790 -0.557 294 H GLY 38 H GLY 38 -1.286 13.054 -1.974 295 HA2 GLY 38 2HA GLY 38 -0.342 10.303 -2.206 296 HA3 GLY 38 3HA GLY 38 -1.869 10.825 -1.510 297 H ARG 39 H ARG 39 -2.169 12.566 -4.029 298 HA ARG 39 HA ARG 39 -3.345 10.426 -5.658 299 HB2 ARG 39 2HB ARG 39 -3.923 13.376 -5.886 300 HB3 ARG 39 3HB ARG 39 -4.876 12.036 -6.507 301 HG2 ARG 39 2HG ARG 39 -5.449 11.371 -4.237 302 HG3 ARG 39 3HG ARG 39 -4.464 12.688 -3.597 303 HD2 ARG 39 2HD ARG 39 -6.219 14.038 -3.742 304 HD3 ARG 39 3HD ARG 39 -6.219 13.819 -5.492 305 HE ARG 39 HE ARG 39 -8.087 12.538 -5.264 306 HH11 ARG 39 1HH1 ARG 39 -6.407 12.590 -2.215 307 HH12 ARG 39 2HH1 ARG 39 -7.632 11.696 -1.376 308 HH21 ARG 39 1HH2 ARG 39 -9.706 11.360 -4.171 309 HH22 ARG 39 2HH2 ARG 39 -9.508 10.996 -2.490 310 H SER 40 H SER 40 -0.490 11.472 -5.637 311 HA SER 40 HA SER 40 1.175 11.775 -7.158 312 HB2 SER 40 2HB SER 40 -0.962 10.474 -8.658 313 HB3 SER 40 3HB SER 40 0.055 11.487 -9.682 314 HG SER 40 HG SER 40 1.134 9.626 -7.846 315 H SER 41 H SER 41 1.990 13.286 -8.747 316 HA SER 41 HA SER 41 0.749 15.859 -8.486 317 HB2 SER 41 2HB SER 41 3.036 16.111 -8.462 318 HB3 SER 41 3HB SER 41 3.299 14.813 -9.626 319 HG SER 41 HG SER 41 2.579 17.494 -10.081 320 H GLU 42 H GLU 42 0.654 13.326 -10.789 321 HA GLU 42 HA GLU 42 0.175 14.712 -13.163 322 HB2 GLU 42 2HB GLU 42 -0.726 12.686 -14.022 323 HB3 GLU 42 3HB GLU 42 0.547 12.231 -12.898 324 HG2 GLU 42 2HG GLU 42 -1.384 12.048 -11.180 325 HG3 GLU 42 3HG GLU 42 -2.411 11.966 -12.611 326 H THR 43 H THR 43 -1.798 14.303 -10.374 327 HA THR 43 HA THR 43 -4.329 14.741 -11.604 328 HB THR 43 HB THR 43 -3.475 15.134 -8.730 329 HG1 THR 43 HG1 THR 43 -3.385 12.955 -9.639 330 HG21 THR 43 3HG2 THR 43 -6.210 14.565 -8.865 331 HG22 THR 43 1HG2 THR 43 -5.929 15.797 -10.094 332 HG23 THR 43 2HG2 THR 43 -5.462 16.099 -8.420 333 H GLY 44 H GLY 44 -2.230 16.868 -9.647 334 HA2 GLY 44 2HA GLY 44 -3.229 19.150 -11.198 335 HA3 GLY 44 3HA GLY 44 -3.395 19.197 -9.449 336 H THR 45 H THR 45 -1.562 19.451 -8.156 337 HA THR 45 HA THR 45 1.044 19.702 -9.388 338 HB THR 45 HB THR 45 1.229 22.064 -8.246 339 HG1 THR 45 HG1 THR 45 -1.553 21.828 -8.826 340 HG21 THR 45 3HG2 THR 45 1.244 21.287 -10.770 341 HG22 THR 45 1HG2 THR 45 1.159 22.996 -10.344 342 HG23 THR 45 2HG2 THR 45 -0.306 22.126 -10.800 343 H SER 46 H SER 46 0.832 17.839 -7.717 344 HA SER 46 HA SER 46 0.819 18.443 -4.957 345 HB2 SER 46 2HB SER 46 0.444 16.208 -5.195 346 HB3 SER 46 3HB SER 46 1.455 16.086 -6.634 347 HG SER 46 HG SER 46 2.428 16.369 -3.982 348 H THR 47 H THR 47 2.242 19.836 -4.121 349 HA THR 47 HA THR 47 5.095 19.442 -4.757 350 HB THR 47 HB THR 47 5.510 21.769 -4.479 351 HG1 THR 47 HG1 THR 47 2.983 21.737 -3.280 352 HG21 THR 47 3HG2 THR 47 4.646 22.447 -6.448 353 HG22 THR 47 1HG2 THR 47 2.986 22.135 -5.942 354 HG23 THR 47 2HG2 THR 47 3.995 20.810 -6.523 355 H VAL 48 H VAL 48 6.344 18.854 -3.111 356 HA VAL 48 HA VAL 48 5.254 18.985 -0.398 357 HB VAL 48 HB VAL 48 7.691 17.510 -1.406 358 HG11 VAL 48 1HG1 VAL 48 7.995 17.899 0.897 359 HG12 VAL 48 2HG1 VAL 48 6.298 17.579 1.257 360 HG13 VAL 48 3HG1 VAL 48 7.363 16.258 0.778 361 HG21 VAL 48 3HG2 VAL 48 4.906 16.910 -1.640 362 HG22 VAL 48 1HG2 VAL 48 6.294 15.974 -2.193 363 HG23 VAL 48 2HG2 VAL 48 5.665 15.738 -0.563 364 H THR 49 H THR 49 5.761 20.739 0.731 365 HA THR 49 HA THR 49 8.185 22.229 0.168 366 HB THR 49 HB THR 49 6.168 22.829 2.331 367 HG1 THR 49 HG1 THR 49 4.865 23.013 0.641 368 HG21 THR 49 3HG2 THR 49 8.097 24.158 2.612 369 HG22 THR 49 1HG2 THR 49 6.947 25.191 1.765 370 HG23 THR 49 2HG2 THR 49 8.264 24.426 0.877 371 H VAL 50 H VAL 50 10.038 21.956 1.213 372 HA VAL 50 HA VAL 50 9.982 20.643 3.853 373 HB VAL 50 HB VAL 50 12.066 19.596 3.398 374 HG11 VAL 50 1HG1 VAL 50 10.061 18.542 2.404 375 HG12 VAL 50 2HG1 VAL 50 10.416 19.365 0.885 376 HG13 VAL 50 3HG1 VAL 50 11.544 18.170 1.526 377 HG21 VAL 50 3HG2 VAL 50 12.252 21.643 1.297 378 HG22 VAL 50 1HG2 VAL 50 13.519 20.887 2.264 379 HG23 VAL 50 2HG2 VAL 50 12.873 20.054 0.850 380 H LEU 51 H LEU 51 11.423 21.374 5.442 381 HA LEU 51 HA LEU 51 12.873 23.858 4.866 382 HB2 LEU 51 2HB LEU 51 10.629 24.339 5.868 383 HB3 LEU 51 3HB LEU 51 11.151 23.463 7.306 384 HG LEU 51 HG LEU 51 13.044 25.158 7.460 385 HD11 LEU 51 1HD1 LEU 51 11.769 26.051 5.045 386 HD12 LEU 51 2HD1 LEU 51 13.280 26.585 5.779 387 HD13 LEU 51 3HD1 LEU 51 11.756 27.329 6.261 388 HD21 LEU 51 3HD2 LEU 51 10.328 26.401 7.746 389 HD22 LEU 51 1HD2 LEU 51 11.752 26.598 8.769 390 HD23 LEU 51 2HD2 LEU 51 10.855 25.079 8.790 391 H THR 52 H THR 52 14.927 23.384 5.270 392 HA THR 52 HA THR 52 15.773 21.304 7.000 393 HB THR 52 HB THR 52 17.976 21.870 6.443 394 HG1 THR 52 HG1 THR 52 18.658 23.891 6.231 395 HG21 THR 52 3HG2 THR 52 16.666 23.087 4.050 396 HG22 THR 52 1HG2 THR 52 16.298 21.417 4.478 397 HG23 THR 52 2HG2 THR 52 17.961 21.893 4.136 398 H TYR 53 H TYR 53 17.833 22.195 8.488 399 HA TYR 53 HA TYR 53 16.468 23.753 10.562 400 HB2 TYR 53 2HB TYR 53 18.398 21.551 10.560 401 HB3 TYR 53 3HB TYR 53 18.811 22.838 11.688 402 HD1 TYR 53 HD2 TYR 53 15.824 20.842 10.644 403 HD2 TYR 53 HD1 TYR 53 17.960 22.692 13.826 404 HE1 TYR 53 HE2 TYR 53 14.192 19.947 12.253 405 HE2 TYR 53 HE1 TYR 53 16.335 21.801 15.443 406 HH TYR 53 HH TYR 53 13.548 20.957 14.975 407 HA PRO 54 HA PRO 54 19.017 27.287 10.001 408 HB2 PRO 54 2HB PRO 54 19.066 28.259 12.535 409 HB3 PRO 54 3HB PRO 54 17.638 28.352 11.498 410 HG2 PRO 54 2HG PRO 54 18.274 26.397 13.674 411 HG3 PRO 54 3HG PRO 54 16.743 27.218 13.320 412 HD2 PRO 54 2HD PRO 54 17.227 24.657 12.585 413 HD3 PRO 54 3HD PRO 54 16.200 25.746 11.631 414 H GLY 55 H GLY 55 21.132 27.093 9.590 415 HA2 GLY 55 2HA GLY 55 22.903 25.525 11.178 416 HA3 GLY 55 3HA GLY 55 23.361 26.578 9.848 417 H THR 56 H THR 56 25.091 27.579 10.763 418 HA THR 56 HA THR 56 24.723 28.902 13.353 419 HB THR 56 HB THR 56 26.739 27.485 13.056 420 HG1 THR 56 HG1 THR 56 27.486 28.863 14.468 421 HG21 THR 56 3HG2 THR 56 27.136 27.895 10.679 422 HG22 THR 56 1HG2 THR 56 28.566 28.291 11.630 423 HG23 THR 56 2HG2 THR 56 27.525 29.580 11.026 424 H GLN 57 H GLN 57 25.324 29.544 9.965 425 HA GLN 57 HA GLN 57 25.120 32.428 10.534 426 HB2 GLN 57 2HB GLN 57 27.125 30.958 9.049 427 HB3 GLN 57 3HB GLN 57 26.345 32.162 8.032 428 HG2 GLN 57 2HG GLN 57 27.615 32.713 10.705 429 HG3 GLN 57 3HG GLN 57 28.368 33.005 9.138 430 HE21 GLN 57 1HE2 GLN 57 27.536 34.792 11.396 431 HE22 GLN 57 2HE2 GLN 57 26.576 36.019 10.648 432 H ASN 58 H ASN 58 24.252 29.763 8.428 433 HA ASN 58 HA ASN 58 22.483 31.498 6.873 434 HB2 ASN 58 2HB ASN 58 24.082 29.378 6.129 435 HB3 ASN 58 3HB ASN 58 22.482 28.646 6.205 436 HD21 ASN 58 1HD2 ASN 58 21.267 28.808 4.467 437 HD22 ASN 58 2HD2 ASN 58 21.470 29.954 3.189 438 H LYS 59 H LYS 59 20.271 31.219 6.777 439 HA LYS 59 HA LYS 59 19.120 29.719 9.015 440 HB2 LYS 59 2HB LYS 59 18.686 32.272 8.320 441 HB3 LYS 59 3HB LYS 59 17.437 31.509 7.345 442 HG2 LYS 59 2HG LYS 59 16.283 31.949 9.269 443 HG3 LYS 59 3HG LYS 59 16.838 30.304 9.586 444 HD2 LYS 59 2HD LYS 59 18.487 31.016 11.071 445 HD3 LYS 59 3HD LYS 59 18.473 32.666 10.443 446 HE2 LYS 59 2HE LYS 59 16.613 33.251 11.644 447 HE3 LYS 59 3HE LYS 59 15.982 31.606 11.675 448 HZ1 LYS 59 3HZ LYS 59 17.128 31.107 13.531 449 HZ2 LYS 59 1HZ LYS 59 17.107 32.782 13.772 450 HZ3 LYS 59 2HZ LYS 59 18.473 32.041 13.105 451 H ALA 60 H ALA 60 17.122 28.526 8.683 452 HA ALA 60 HA ALA 60 17.289 26.724 6.522 453 HB1 ALA 60 1HB ALA 60 15.017 25.969 7.348 454 HB2 ALA 60 2HB ALA 60 16.332 25.921 8.522 455 HB3 ALA 60 3HB ALA 60 15.152 27.230 8.574 456 H THR 61 H THR 61 16.203 26.573 4.617 457 HA THR 61 HA THR 61 14.552 28.894 3.868 458 HB THR 61 HB THR 61 15.565 27.191 1.691 459 HG1 THR 61 HG1 THR 61 17.691 27.923 1.886 460 HG21 THR 61 3HG2 THR 61 15.065 29.065 0.600 461 HG22 THR 61 1HG2 THR 61 16.338 29.912 1.478 462 HG23 THR 61 2HG2 THR 61 14.697 29.871 2.125 463 H TYR 62 H TYR 62 12.609 28.594 2.803 464 HA TYR 62 HA TYR 62 11.545 25.851 2.907 465 HB2 TYR 62 2HB TYR 62 9.292 27.066 2.904 466 HB3 TYR 62 3HB TYR 62 10.262 27.185 4.368 467 HD1 TYR 62 HD1 TYR 62 11.390 29.292 4.943 468 HD2 TYR 62 HD2 TYR 62 8.849 28.999 1.543 469 HE1 TYR 62 HE1 TYR 62 11.273 31.746 4.826 470 HE2 TYR 62 HE2 TYR 62 8.726 31.452 1.416 471 HH TYR 62 HH TYR 62 9.074 33.415 3.380 472 H LYS 63 H LYS 63 11.302 24.884 1.017 473 HA LYS 63 HA LYS 63 10.437 26.469 -1.298 474 HB2 LYS 63 2HB LYS 63 12.981 25.908 -1.211 475 HB3 LYS 63 3HB LYS 63 12.465 24.283 -1.640 476 HG2 LYS 63 2HG LYS 63 12.103 24.842 -3.766 477 HG3 LYS 63 3HG LYS 63 11.271 26.335 -3.324 478 HD2 LYS 63 2HD LYS 63 13.534 27.326 -2.843 479 HD3 LYS 63 3HD LYS 63 14.240 25.880 -3.568 480 HE2 LYS 63 2HE LYS 63 13.192 26.357 -5.674 481 HE3 LYS 63 3HE LYS 63 12.282 27.693 -4.970 482 HZ1 LYS 63 3HZ LYS 63 14.945 28.209 -4.442 483 HZ2 LYS 63 1HZ LYS 63 13.949 29.007 -5.552 484 HZ3 LYS 63 2HZ LYS 63 14.895 27.699 -6.055 485 H ASN 64 H ASN 64 8.974 25.483 -2.609 486 HA ASN 64 HA ASN 64 7.996 22.868 -1.716 487 HB2 ASN 64 2HB ASN 64 5.964 23.460 -3.063 488 HB3 ASN 64 3HB ASN 64 6.296 24.570 -1.737 489 HD21 ASN 64 1HD2 ASN 64 5.738 24.258 -5.038 490 HD22 ASN 64 2HD2 ASN 64 6.098 25.881 -5.509 491 H VAL 65 H VAL 65 8.492 21.120 -2.847 492 HA VAL 65 HA VAL 65 8.630 21.238 -5.751 493 HB VAL 65 HB VAL 65 10.792 20.018 -5.813 494 HG11 VAL 65 1HG1 VAL 65 12.095 21.934 -5.793 495 HG12 VAL 65 2HG1 VAL 65 10.464 22.585 -5.969 496 HG13 VAL 65 3HG1 VAL 65 11.260 22.611 -4.395 497 HG21 VAL 65 3HG2 VAL 65 12.227 20.328 -3.709 498 HG22 VAL 65 1HG2 VAL 65 10.698 20.568 -2.864 499 HG23 VAL 65 2HG2 VAL 65 11.017 19.046 -3.697 500 H ASP 66 H ASP 66 8.555 19.149 -6.758 501 HA ASP 66 HA ASP 66 6.762 17.369 -5.604 502 HB2 ASP 66 2HB ASP 66 8.790 16.725 -7.755 503 HB3 ASP 66 3HB ASP 66 7.286 15.863 -7.440 504 H SER 67 H SER 67 10.263 17.433 -5.498 505 HA SER 67 HA SER 67 10.454 15.904 -3.170 506 HB2 SER 67 2HB SER 67 10.083 14.313 -5.512 507 HB3 SER 67 3HB SER 67 11.735 14.075 -4.942 508 HG SER 67 HG SER 67 10.570 12.649 -3.787 509 H HIS 68 H HIS 68 12.028 16.707 -6.231 510 HA HIS 68 HA HIS 68 14.074 17.577 -6.712 511 HB2 HIS 68 2HB HIS 68 13.317 18.744 -4.259 512 HB3 HIS 68 3HB HIS 68 15.008 18.287 -4.082 513 HD1 HIS 68 HD1 HIS 68 13.834 21.253 -4.341 514 HD2 HIS 68 HD2 HIS 68 15.726 19.056 -7.318 515 HE1 HIS 68 HE1 HIS 68 14.737 22.952 -5.960 516 H SER 69 H SER 69 13.660 14.776 -5.566 517 HA SER 69 HA SER 69 15.910 13.983 -4.111 518 HB2 SER 69 2HB SER 69 14.353 12.298 -4.162 519 HB3 SER 69 3HB SER 69 13.916 12.606 -5.842 520 HG SER 69 HG SER 69 16.105 11.158 -4.814 521 H SER 70 H SER 70 15.579 14.880 -7.411 522 HA SER 70 HA SER 70 17.854 13.481 -8.419 523 HB2 SER 70 2HB SER 70 15.914 15.448 -9.434 524 HB3 SER 70 3HB SER 70 17.523 15.582 -10.142 525 HG SER 70 HG SER 70 16.039 14.097 -11.217 526 H ALA 71 H ALA 71 17.557 16.074 -6.341 527 HA ALA 71 HA ALA 71 20.239 17.074 -7.048 528 HB1 ALA 71 1HB ALA 71 18.531 18.785 -7.343 529 HB2 ALA 71 2HB ALA 71 18.004 18.562 -5.674 530 HB3 ALA 71 3HB ALA 71 19.613 19.201 -6.013 531 H ILE 72 H ILE 72 18.267 15.613 -4.655 532 HA ILE 72 HA ILE 72 20.421 15.925 -2.666 533 HB ILE 72 HB ILE 72 18.771 15.605 -0.907 534 HG12 ILE 72 2HG1 ILE 72 16.747 15.527 -3.156 535 HG13 ILE 72 3HG1 ILE 72 17.204 14.170 -2.132 536 HG21 ILE 72 1HG2 ILE 72 17.279 17.692 -2.174 537 HG22 ILE 72 2HG2 ILE 72 18.485 17.805 -0.893 538 HG23 ILE 72 3HG2 ILE 72 18.987 17.853 -2.583 539 HD11 ILE 72 3HD1 ILE 72 16.398 16.311 -0.456 540 HD12 ILE 72 1HD1 ILE 72 15.180 16.094 -1.713 541 HD13 ILE 72 2HD1 ILE 72 15.638 14.736 -0.685 542 H THR 73 H THR 73 21.251 14.129 -1.717 543 HA THR 73 HA THR 73 20.482 11.567 -2.886 544 HB THR 73 HB THR 73 22.577 10.877 -1.391 545 HG1 THR 73 HG1 THR 73 24.056 12.654 -1.350 546 HG21 THR 73 3HG2 THR 73 23.810 10.857 -3.332 547 HG22 THR 73 1HG2 THR 73 23.242 12.447 -3.839 548 HG23 THR 73 2HG2 THR 73 22.185 11.043 -3.989 549 H PHE 74 H PHE 74 20.789 9.647 -1.276 550 HA PHE 74 HA PHE 74 19.242 10.280 1.150 551 HB2 PHE 74 2HB PHE 74 18.270 8.788 -0.790 552 HB3 PHE 74 3HB PHE 74 19.260 7.537 -0.044 553 HD1 PHE 74 HD2 PHE 74 18.981 7.394 2.597 554 HD2 PHE 74 HD1 PHE 74 16.097 8.986 -0.099 555 HE1 PHE 74 HE2 PHE 74 17.210 6.980 4.253 556 HE2 PHE 74 HE1 PHE 74 14.321 8.576 1.554 557 HZ PHE 74 HZ PHE 74 14.876 7.571 3.733 558 H PHE 75 H PHE 75 21.190 10.638 2.331 559 HA PHE 75 HA PHE 75 22.158 8.303 3.638 560 HB2 PHE 75 2HB PHE 75 23.506 8.800 1.315 561 HB3 PHE 75 3HB PHE 75 24.477 9.698 2.477 562 HD1 PHE 75 HD2 PHE 75 22.747 6.388 2.374 563 HD2 PHE 75 HD1 PHE 75 26.294 8.564 3.270 564 HE1 PHE 75 HE2 PHE 75 23.852 4.299 3.058 565 HE2 PHE 75 HE1 PHE 75 27.404 6.478 3.955 566 HZ PHE 75 HZ PHE 75 26.183 4.342 3.851 567 H GLU 76 H GLU 76 24.360 9.117 4.894 568 HA GLU 76 HA GLU 76 23.634 11.716 6.080 569 HB2 GLU 76 2HB GLU 76 24.678 10.709 8.207 570 HB3 GLU 76 3HB GLU 76 23.066 10.179 7.746 571 HG2 GLU 76 2HG GLU 76 23.729 8.071 7.326 572 HG3 GLU 76 3HG GLU 76 25.289 8.574 6.678 573 HA PRO 77 HA PRO 77 27.742 13.105 5.417 574 HB2 PRO 77 2HB PRO 77 28.168 14.642 7.613 575 HB3 PRO 77 3HB PRO 77 27.086 15.122 6.300 576 HG2 PRO 77 2HG PRO 77 26.422 13.894 8.949 577 HG3 PRO 77 3HG PRO 77 25.612 15.222 8.096 578 HD2 PRO 77 2HD PRO 77 24.659 12.688 8.085 579 HD3 PRO 77 3HD PRO 77 24.452 13.793 6.710 580 H SER 78 H SER 78 29.944 13.173 6.356 581 HA SER 78 HA SER 78 30.371 10.843 8.094 582 HB2 SER 78 2HB SER 78 31.608 11.711 5.682 583 HB3 SER 78 3HB SER 78 32.818 11.796 6.963 584 HG SER 78 HG SER 78 31.648 9.610 5.794 585 H SER 79 H SER 79 30.286 14.155 8.233 586 HA SER 79 HA SER 79 30.855 15.647 9.859 587 HB2 SER 79 2HB SER 79 30.992 13.095 11.178 588 HB3 SER 79 3HB SER 79 32.284 14.136 11.775 589 HG SER 79 HG SER 79 29.630 14.260 12.256 590 H GLU 80 H GLU 80 33.520 13.345 10.318 591 HA GLU 80 HA GLU 80 35.532 15.275 10.344 592 HB2 GLU 80 2HB GLU 80 35.469 12.316 9.972 593 HB3 GLU 80 3HB GLU 80 36.962 13.167 9.604 594 HG2 GLU 80 2HG GLU 80 36.238 14.201 12.048 595 HG3 GLU 80 3HG GLU 80 35.776 12.504 12.168 596 H LYS 81 H LYS 81 34.139 13.450 7.680 597 HA LYS 81 HA LYS 81 36.057 14.318 5.743 598 HB2 LYS 81 2HB LYS 81 33.302 13.120 5.398 599 HB3 LYS 81 3HB LYS 81 34.458 13.372 4.096 600 HG2 LYS 81 2HG LYS 81 35.486 11.844 6.381 601 HG3 LYS 81 3HG LYS 81 34.180 11.067 5.482 602 HD2 LYS 81 2HD LYS 81 36.116 10.337 4.400 603 HD3 LYS 81 3HD LYS 81 35.544 11.664 3.386 604 HE2 LYS 81 2HE LYS 81 37.159 13.160 4.316 605 HE3 LYS 81 3HE LYS 81 37.619 11.985 5.547 606 HZ1 LYS 81 3HZ LYS 81 38.514 12.229 2.836 607 HZ2 LYS 81 1HZ LYS 81 38.013 10.657 3.210 608 HZ3 LYS 81 2HZ LYS 81 39.217 11.402 4.134 609 H ALA 82 H ALA 82 33.390 15.781 7.232 610 HA ALA 82 HA ALA 82 33.015 17.677 5.022 611 HB1 ALA 82 1HB ALA 82 31.360 17.188 7.494 612 HB2 ALA 82 2HB ALA 82 31.018 18.422 6.280 613 HB3 ALA 82 3HB ALA 82 30.964 16.714 5.841 614 H VAL 83 H VAL 83 34.535 17.338 8.045 615 HA VAL 83 HA VAL 83 34.485 20.112 8.798 616 HB VAL 83 HB VAL 83 36.200 17.833 9.795 617 HG11 VAL 83 1HG1 VAL 83 36.254 19.612 11.797 618 HG12 VAL 83 2HG1 VAL 83 37.476 19.556 10.526 619 HG13 VAL 83 3HG1 VAL 83 36.154 20.720 10.430 620 HG21 VAL 83 3HG2 VAL 83 34.326 18.880 11.692 621 HG22 VAL 83 1HG2 VAL 83 33.483 18.432 10.209 622 HG23 VAL 83 2HG2 VAL 83 34.469 17.241 11.057 623 H THR 84 H THR 84 35.838 21.682 8.203 624 HA THR 84 HA THR 84 38.537 21.174 7.374 625 HB THR 84 HB THR 84 36.812 22.433 5.258 626 HG1 THR 84 HG1 THR 84 36.109 20.524 4.702 627 HG21 THR 84 3HG2 THR 84 38.833 22.791 4.379 628 HG22 THR 84 1HG2 THR 84 38.956 21.049 4.144 629 HG23 THR 84 2HG2 THR 84 39.614 21.790 5.603 630 H ALA 85 H ALA 85 36.000 23.621 6.796 631 HA ALA 85 HA ALA 85 36.949 25.483 8.653 632 HB1 ALA 85 1HB ALA 85 38.647 25.327 6.457 633 HB2 ALA 85 2HB ALA 85 37.672 26.769 6.169 634 HB3 ALA 85 3HB ALA 85 38.592 26.611 7.665 635 H ASN 86 H ASN 86 34.499 24.414 7.479 636 HA ASN 86 HA ASN 86 33.294 26.854 6.367 637 HB2 ASN 86 2HB ASN 86 32.584 23.943 6.153 638 HB3 ASN 86 3HB ASN 86 31.368 25.181 5.856 639 HD21 ASN 86 1HD2 ASN 86 31.934 26.836 4.239 640 HD22 ASN 86 2HD2 ASN 86 32.853 26.345 2.860 641 H GLU 87 H GLU 87 32.443 28.085 7.916 642 HA GLU 87 HA GLU 87 31.694 27.245 10.471 643 HB2 GLU 87 2HB GLU 87 30.470 29.422 10.597 644 HB3 GLU 87 3HB GLU 87 32.140 29.564 10.067 645 HG2 GLU 87 2HG GLU 87 31.286 29.617 7.711 646 HG3 GLU 87 3HG GLU 87 29.660 29.734 8.380 647 H ASP 88 H ASP 88 29.693 27.829 7.595 648 HA ASP 88 HA ASP 88 27.228 27.188 8.817 649 HB2 ASP 88 2HB ASP 88 26.484 26.830 6.394 650 HB3 ASP 88 3HB ASP 88 27.101 28.426 6.812 651 H LEU 89 H LEU 89 29.518 25.264 6.915 652 HA LEU 89 HA LEU 89 28.020 22.906 6.780 653 HB2 LEU 89 2HB LEU 89 30.165 23.517 5.552 654 HB3 LEU 89 3HB LEU 89 31.015 23.001 7.007 655 HG LEU 89 HG LEU 89 30.172 20.742 6.733 656 HD11 LEU 89 1HD1 LEU 89 29.094 20.488 4.272 657 HD12 LEU 89 2HD1 LEU 89 28.438 22.053 4.752 658 HD13 LEU 89 3HD1 LEU 89 28.151 20.631 5.755 659 HD21 LEU 89 3HD2 LEU 89 31.206 21.595 4.048 660 HD22 LEU 89 1HD2 LEU 89 31.525 20.104 4.936 661 HD23 LEU 89 2HD2 LEU 89 32.225 21.626 5.488 662 H LEU 90 H LEU 90 30.057 24.210 9.312 663 HA LEU 90 HA LEU 90 30.377 21.911 10.874 664 HB2 LEU 90 2HB LEU 90 31.657 23.906 11.295 665 HB3 LEU 90 3HB LEU 90 30.193 24.810 11.675 666 HG LEU 90 HG LEU 90 29.892 23.548 13.712 667 HD11 LEU 90 1HD1 LEU 90 32.178 22.106 14.145 668 HD12 LEU 90 2HD1 LEU 90 31.829 21.769 12.450 669 HD13 LEU 90 3HD1 LEU 90 30.613 21.435 13.683 670 HD21 LEU 90 3HD2 LEU 90 31.492 24.626 14.932 671 HD22 LEU 90 1HD2 LEU 90 31.664 25.482 13.400 672 HD23 LEU 90 2HD2 LEU 90 32.792 24.193 13.821 673 H GLN 91 H GLN 91 27.905 24.467 11.089 674 HA GLN 91 HA GLN 91 26.435 23.226 13.163 675 HB2 GLN 91 2HB GLN 91 26.325 25.649 11.741 676 HB3 GLN 91 3HB GLN 91 24.770 24.871 11.478 677 HG2 GLN 91 2HG GLN 91 24.833 26.403 13.428 678 HG3 GLN 91 3HG GLN 91 24.345 24.754 13.816 679 HE21 GLN 91 1HE2 GLN 91 24.966 24.640 15.896 680 HE22 GLN 91 2HE2 GLN 91 26.595 24.817 16.443 681 H ALA 92 H ALA 92 26.249 23.076 9.653 682 HA ALA 92 HA ALA 92 23.791 21.729 9.438 683 HB1 ALA 92 1HB ALA 92 24.263 22.249 7.328 684 HB2 ALA 92 2HB ALA 92 25.980 22.437 7.688 685 HB3 ALA 92 3HB ALA 92 25.329 20.843 7.302 686 H ILE 93 H ILE 93 27.093 20.545 9.853 687 HA ILE 93 HA ILE 93 26.598 17.816 9.464 688 HB ILE 93 HB ILE 93 28.663 19.184 11.187 689 HG12 ILE 93 2HG1 ILE 93 29.312 17.734 8.672 690 HG13 ILE 93 3HG1 ILE 93 28.479 19.277 8.517 691 HG21 ILE 93 1HG2 ILE 93 29.861 16.972 11.028 692 HG22 ILE 93 2HG2 ILE 93 28.443 16.999 12.075 693 HG23 ILE 93 3HG2 ILE 93 28.339 16.281 10.468 694 HD11 ILE 93 3HD1 ILE 93 30.454 20.257 8.658 695 HD12 ILE 93 1HD1 ILE 93 30.529 19.740 10.343 696 HD13 ILE 93 2HD1 ILE 93 31.241 18.736 9.079 697 H ARG 94 H ARG 94 26.280 19.853 12.322 698 HA ARG 94 HA ARG 94 25.821 17.756 14.170 699 HB2 ARG 94 2HB ARG 94 26.115 20.524 14.298 700 HB3 ARG 94 3HB ARG 94 24.471 20.236 14.851 701 HG2 ARG 94 2HG ARG 94 25.394 18.563 16.463 702 HG3 ARG 94 3HG ARG 94 27.008 19.098 15.993 703 HD2 ARG 94 2HD ARG 94 25.138 21.247 16.722 704 HD3 ARG 94 3HD ARG 94 25.571 20.154 18.036 705 HE ARG 94 HE ARG 94 27.219 22.152 16.885 706 HH11 ARG 94 1HH1 ARG 94 27.310 18.941 18.227 707 HH12 ARG 94 2HH1 ARG 94 28.959 19.064 18.746 708 HH21 ARG 94 1HH2 ARG 94 29.389 22.327 17.565 709 HH22 ARG 94 2HH2 ARG 94 30.140 20.991 18.370 710 H ASN 95 H ASN 95 23.624 19.872 12.349 711 HA ASN 95 HA ASN 95 21.218 18.907 13.393 712 HB2 ASN 95 2HB ASN 95 21.806 20.025 10.643 713 HB3 ASN 95 3HB ASN 95 20.191 19.792 11.305 714 HD21 ASN 95 1HD2 ASN 95 22.238 22.102 10.621 715 HD22 ASN 95 2HD2 ASN 95 21.950 23.215 11.911 716 H ALA 96 H ALA 96 22.683 18.061 10.248 717 HA ALA 96 HA ALA 96 21.007 16.034 9.492 718 HB1 ALA 96 1HB ALA 96 23.655 15.215 8.840 719 HB2 ALA 96 2HB ALA 96 22.438 15.957 7.801 720 HB3 ALA 96 3HB ALA 96 23.558 16.971 8.711 721 H GLU 97 H GLU 97 23.546 15.935 11.901 722 HA GLU 97 HA GLU 97 23.601 13.099 12.178 723 HB2 GLU 97 2HB GLU 97 25.523 14.302 12.903 724 HB3 GLU 97 3HB GLU 97 24.562 15.353 13.933 725 HG2 GLU 97 2HG GLU 97 24.065 13.483 15.406 726 HG3 GLU 97 3HG GLU 97 24.990 12.405 14.362 727 H GLU 98 H GLU 98 21.971 15.716 13.923 728 HA GLU 98 HA GLU 98 20.776 14.040 15.878 729 HB2 GLU 98 2HB GLU 98 19.931 15.954 16.745 730 HB3 GLU 98 3HB GLU 98 21.081 16.709 15.651 731 HG2 GLU 98 2HG GLU 98 19.256 16.856 13.957 732 HG3 GLU 98 3HG GLU 98 18.139 16.291 15.197 733 H ASP 99 H ASP 99 19.794 15.163 12.700 734 HA ASP 99 HA ASP 99 17.134 14.047 12.955 735 HB2 ASP 99 2HB ASP 99 18.585 15.346 10.643 736 HB3 ASP 99 3HB ASP 99 16.932 14.745 10.545 737 H LYS 100 H LYS 100 17.195 11.864 13.110 738 HA LYS 100 HA LYS 100 18.253 10.418 10.786 739 HB2 LYS 100 2HB LYS 100 18.781 9.817 13.688 740 HB3 LYS 100 3HB LYS 100 18.900 8.571 12.453 741 HG2 LYS 100 2HG LYS 100 20.482 10.267 11.276 742 HG3 LYS 100 3HG LYS 100 20.611 10.975 12.887 743 HD2 LYS 100 2HD LYS 100 21.100 8.061 12.295 744 HD3 LYS 100 3HD LYS 100 22.375 9.281 12.331 745 HE2 LYS 100 2HE LYS 100 21.689 9.822 14.666 746 HE3 LYS 100 3HE LYS 100 20.569 8.463 14.603 747 HZ1 LYS 100 3HZ LYS 100 23.327 8.442 15.168 748 HZ2 LYS 100 1HZ LYS 100 23.049 7.521 13.776 749 HZ3 LYS 100 2HZ LYS 100 22.229 7.155 15.210 750 H GLU 101 H GLU 101 15.673 11.038 10.844 751 HA GLU 101 HA GLU 101 13.561 10.198 10.751 752 HB2 GLU 101 2HB GLU 101 14.879 8.397 9.525 753 HB3 GLU 101 3HB GLU 101 14.815 7.469 11.017 754 HG2 GLU 101 2HG GLU 101 12.194 8.167 10.639 755 HG3 GLU 101 3HG GLU 101 12.769 7.908 8.993 756 H SER 102 H SER 102 14.946 10.653 13.387 757 HA SER 102 HA SER 102 12.815 9.877 15.068 758 HB2 SER 102 2HB SER 102 14.195 7.694 14.706 759 HB3 SER 102 3HB SER 102 15.347 8.441 15.813 760 HG SER 102 HG SER 102 13.125 7.145 16.416 761 H ASN 103 H ASN 103 14.049 12.279 14.544 762 HA ASN 103 HA ASN 103 16.045 12.984 16.424 763 HB2 ASN 103 2HB ASN 103 15.489 14.257 14.328 764 HB3 ASN 103 3HB ASN 103 14.032 14.834 15.132 765 HD21 ASN 103 1HD2 ASN 103 14.900 16.954 14.770 766 HD22 ASN 103 2HD2 ASN 103 16.080 17.597 15.856 767 H ALA 104 H ALA 104 15.921 13.567 18.504 768 HA ALA 104 HA ALA 104 15.083 14.007 20.574 769 HB1 ALA 104 1HB ALA 104 13.656 15.739 20.696 770 HB2 ALA 104 2HB ALA 104 13.853 15.787 18.944 771 HB3 ALA 104 3HB ALA 104 12.463 14.965 19.653 772 H LEU 105 H LEU 105 14.411 11.489 19.041 773 HA LEU 105 HA LEU 105 12.024 10.681 20.563 774 HB2 LEU 105 2HB LEU 105 12.863 10.222 17.856 775 HB3 LEU 105 3HB LEU 105 12.681 8.684 18.698 776 HG LEU 105 HG LEU 105 10.369 9.946 19.383 777 HD11 LEU 105 1HD1 LEU 105 9.788 11.554 17.973 778 HD12 LEU 105 2HD1 LEU 105 10.106 10.512 16.587 779 HD13 LEU 105 3HD1 LEU 105 11.407 11.483 17.277 780 HD21 LEU 105 3HD2 LEU 105 10.918 7.635 18.347 781 HD22 LEU 105 1HD2 LEU 105 10.541 8.422 16.815 782 HD23 LEU 105 2HD2 LEU 105 9.322 8.339 18.087 783 H ARG 106 H ARG 106 15.370 9.942 19.862 784 HA ARG 106 HA ARG 106 15.337 7.512 21.439 785 HB2 ARG 106 2HB ARG 106 17.751 8.949 20.339 786 HB3 ARG 106 3HB ARG 106 17.633 7.263 20.822 787 HG2 ARG 106 2HG ARG 106 16.005 6.917 18.968 788 HG3 ARG 106 3HG ARG 106 16.338 8.569 18.442 789 HD2 ARG 106 2HD ARG 106 17.670 6.999 17.163 790 HD3 ARG 106 3HD ARG 106 18.712 7.990 18.184 791 HE ARG 106 HE ARG 106 18.015 5.558 19.476 792 HH11 ARG 106 1HH1 ARG 106 20.081 6.897 17.015 793 HH12 ARG 106 2HH1 ARG 106 21.296 5.674 17.186 794 HH21 ARG 106 1HH2 ARG 106 19.607 3.942 19.711 795 HH22 ARG 106 2HH2 ARG 106 21.025 3.993 18.719 796 H PHE 107 H PHE 107 17.307 10.484 21.606 797 HA PHE 107 HA PHE 107 18.278 10.115 24.174 798 HB2 PHE 107 2HB PHE 107 18.059 12.348 22.294 799 HB3 PHE 107 3HB PHE 107 18.050 12.857 23.979 800 HD1 PHE 107 HD2 PHE 107 19.902 11.646 25.462 801 HD2 PHE 107 HD1 PHE 107 20.086 12.185 21.244 802 HE1 PHE 107 HE2 PHE 107 22.350 11.422 25.543 803 HE2 PHE 107 HE1 PHE 107 22.535 11.960 21.318 804 HZ PHE 107 HZ PHE 107 23.671 11.579 23.470 805 H GLU 108 H GLU 108 17.755 11.730 26.027 806 HA GLU 108 HA GLU 108 15.181 11.094 26.994 807 HB2 GLU 108 2HB GLU 108 15.743 12.424 28.920 808 HB3 GLU 108 3HB GLU 108 17.169 11.522 28.427 809 HG2 GLU 108 2HG GLU 108 17.965 13.564 27.243 810 HG3 GLU 108 3HG GLU 108 16.608 14.437 27.952 811 HA PRO 109 HA PRO 109 12.675 14.291 25.310 812 HB2 PRO 109 2HB PRO 109 10.730 14.379 27.201 813 HB3 PRO 109 3HB PRO 109 10.875 13.060 26.033 814 HG2 PRO 109 2HG PRO 109 11.778 13.173 28.885 815 HG3 PRO 109 3HG PRO 109 10.967 11.855 28.020 816 HD2 PRO 109 2HD PRO 109 13.636 11.873 28.476 817 HD3 PRO 109 3HD PRO 109 12.920 11.136 27.029 818 H THR 110 H THR 110 11.279 16.235 26.384 819 HA THR 110 HA THR 110 13.073 18.225 27.053 820 HB THR 110 HB THR 110 10.192 18.230 27.951 821 HG1 THR 110 HG1 THR 110 11.017 19.213 25.443 822 HG21 THR 110 3HG2 THR 110 10.545 20.375 28.439 823 HG22 THR 110 1HG2 THR 110 11.174 20.678 26.821 824 HG23 THR 110 2HG2 THR 110 12.259 20.135 28.100 Start of MODEL 5 1 H1 MET 1 H MET 1 3.733 1.834 -0.456 2 HA MET 1 HA MET 1 5.223 1.412 -2.122 3 HB2 MET 1 2HB MET 1 2.751 1.311 -3.859 4 HB3 MET 1 3HB MET 1 4.321 0.623 -4.247 5 HG2 MET 1 2HG MET 1 3.922 -1.224 -3.076 6 HG3 MET 1 3HG MET 1 3.282 -0.320 -1.706 7 HE1 MET 1 3HE MET 1 1.073 1.167 -2.285 8 HE2 MET 1 1HE MET 1 -0.396 0.293 -2.721 9 HE3 MET 1 2HE MET 1 0.488 -0.145 -1.260 10 H LEU 2 H LEU 2 6.546 3.019 -2.652 11 HA LEU 2 HA LEU 2 6.003 4.728 -4.854 12 HB2 LEU 2 2HB LEU 2 6.184 6.871 -3.596 13 HB3 LEU 2 3HB LEU 2 4.680 5.989 -3.338 14 HG LEU 2 HG LEU 2 6.161 5.104 -1.244 15 HD11 LEU 2 1HD1 LEU 2 7.749 7.099 -2.192 16 HD12 LEU 2 2HD1 LEU 2 7.717 6.541 -0.520 17 HD13 LEU 2 3HD1 LEU 2 6.776 7.955 -0.995 18 HD21 LEU 2 3HD2 LEU 2 4.642 6.227 0.053 19 HD22 LEU 2 1HD2 LEU 2 3.821 6.268 -1.507 20 HD23 LEU 2 2HD2 LEU 2 4.705 7.685 -0.938 21 H GLN 3 H GLN 3 7.924 4.369 -1.889 22 HA GLN 3 HA GLN 3 10.340 4.797 -3.516 23 HB2 GLN 3 2HB GLN 3 9.625 5.920 -0.830 24 HB3 GLN 3 3HB GLN 3 11.312 5.659 -1.254 25 HG2 GLN 3 2HG GLN 3 9.637 7.129 -3.201 26 HG3 GLN 3 3HG GLN 3 10.056 7.954 -1.700 27 HE21 GLN 3 1HE2 GLN 3 11.085 7.073 -4.788 28 HE22 GLN 3 2HE2 GLN 3 12.731 7.580 -4.657 29 H GLU 4 H GLU 4 12.329 4.076 -2.006 30 HA GLU 4 HA GLU 4 11.870 1.254 -1.546 31 HB2 GLU 4 2HB GLU 4 14.023 2.760 -2.468 32 HB3 GLU 4 3HB GLU 4 14.530 2.214 -0.876 33 HG2 GLU 4 2HG GLU 4 15.228 0.409 -2.003 34 HG3 GLU 4 3HG GLU 4 13.541 -0.083 -1.863 35 H ARG 5 H ARG 5 13.052 4.038 0.320 36 HA ARG 5 HA ARG 5 12.869 2.464 2.778 37 HB2 ARG 5 2HB ARG 5 14.520 4.634 1.876 38 HB3 ARG 5 3HB ARG 5 13.689 5.107 3.352 39 HG2 ARG 5 2HG ARG 5 15.056 2.460 3.221 40 HG3 ARG 5 3HG ARG 5 16.005 3.928 3.465 41 HD2 ARG 5 2HD ARG 5 14.087 4.355 5.277 42 HD3 ARG 5 3HD ARG 5 14.064 2.592 5.258 43 HE ARG 5 HE ARG 5 16.710 3.638 5.501 44 HH11 ARG 5 1HH1 ARG 5 13.799 2.910 7.267 45 HH12 ARG 5 2HH1 ARG 5 14.615 2.706 8.783 46 HH21 ARG 5 1HH2 ARG 5 17.794 3.373 7.490 47 HH22 ARG 5 2HH2 ARG 5 16.887 2.971 8.908 48 H VAL 6 H VAL 6 12.239 4.172 4.698 49 HA VAL 6 HA VAL 6 9.463 4.870 4.083 50 HB VAL 6 HB VAL 6 9.959 3.387 6.030 51 HG11 VAL 6 1HG1 VAL 6 12.057 4.727 6.629 52 HG12 VAL 6 2HG1 VAL 6 10.956 5.840 7.444 53 HG13 VAL 6 3HG1 VAL 6 11.045 4.154 7.955 54 HG21 VAL 6 3HG2 VAL 6 7.922 4.878 5.805 55 HG22 VAL 6 1HG2 VAL 6 8.321 4.344 7.438 56 HG23 VAL 6 2HG2 VAL 6 8.724 5.982 6.922 57 H PHE 7 H PHE 7 8.631 6.897 4.318 58 HA PHE 7 HA PHE 7 10.580 9.061 4.556 59 HB2 PHE 7 2HB PHE 7 8.245 8.635 2.976 60 HB3 PHE 7 3HB PHE 7 7.967 10.048 3.988 61 HD1 PHE 7 HD1 PHE 7 10.633 8.590 1.824 62 HD2 PHE 7 HD2 PHE 7 8.630 12.091 3.184 63 HE1 PHE 7 HE1 PHE 7 11.976 9.955 0.279 64 HE2 PHE 7 HE2 PHE 7 9.969 13.461 1.640 65 HZ PHE 7 HZ PHE 7 11.644 12.393 0.184 66 H HIS 8 H HIS 8 10.735 10.296 6.308 67 HA HIS 8 HA HIS 8 8.464 10.398 8.175 68 HB2 HIS 8 2HB HIS 8 10.411 8.860 8.878 69 HB3 HIS 8 3HB HIS 8 11.316 10.348 9.135 70 HD1 HIS 8 HD1 HIS 8 11.369 10.780 11.563 71 HD2 HIS 8 HD2 HIS 8 7.653 9.391 10.328 72 HE1 HIS 8 HE1 HIS 8 9.921 10.814 13.619 73 H ILE 9 H ILE 9 8.671 12.243 9.743 74 HA ILE 9 HA ILE 9 8.803 14.671 8.429 75 HB ILE 9 HB ILE 9 7.643 14.505 10.525 76 HG12 ILE 9 2HG1 ILE 9 9.828 16.292 11.411 77 HG13 ILE 9 3HG1 ILE 9 9.179 16.618 9.808 78 HG21 ILE 9 1HG2 ILE 9 10.310 14.113 11.871 79 HG22 ILE 9 2HG2 ILE 9 8.721 14.118 12.634 80 HG23 ILE 9 3HG2 ILE 9 9.164 12.816 11.530 81 HD11 ILE 9 3HD1 ILE 9 7.988 17.031 12.449 82 HD12 ILE 9 1HD1 ILE 9 7.712 17.879 10.928 83 HD13 ILE 9 2HD1 ILE 9 6.902 16.344 11.242 84 H ASN 10 H ASN 10 11.308 13.024 10.306 85 HA ASN 10 HA ASN 10 13.204 15.115 10.230 86 HB2 ASN 10 2HB ASN 10 13.861 12.172 10.370 87 HB3 ASN 10 3HB ASN 10 14.780 13.519 11.036 88 HD21 ASN 10 1HD2 ASN 10 12.781 14.962 12.253 89 HD22 ASN 10 2HD2 ASN 10 12.132 14.045 13.566 90 H ASP 11 H ASP 11 12.776 12.234 8.193 91 HA ASP 11 HA ASP 11 13.684 11.646 6.182 92 HB2 ASP 11 2HB ASP 11 12.502 14.241 5.976 93 HB3 ASP 11 3HB ASP 11 13.916 14.185 4.927 94 H ARG 12 H ARG 12 15.737 11.000 6.878 95 HA ARG 12 HA ARG 12 17.890 12.901 7.080 96 HB2 ARG 12 2HB ARG 12 19.298 10.842 7.360 97 HB3 ARG 12 3HB ARG 12 17.991 11.001 8.526 98 HG2 ARG 12 2HG ARG 12 17.193 9.021 7.951 99 HG3 ARG 12 3HG ARG 12 17.052 9.531 6.268 100 HD2 ARG 12 2HD ARG 12 18.501 7.773 6.043 101 HD3 ARG 12 3HD ARG 12 19.643 9.099 6.259 102 HE ARG 12 HE ARG 12 18.995 7.991 8.766 103 HH11 ARG 12 1HH1 ARG 12 20.763 7.256 5.858 104 HH12 ARG 12 2HH1 ARG 12 21.900 6.220 6.656 105 HH21 ARG 12 1HH2 ARG 12 20.485 6.629 9.827 106 HH22 ARG 12 2HH2 ARG 12 21.740 5.863 8.913 107 H VAL 13 H VAL 13 18.523 13.849 5.239 108 HA VAL 13 HA VAL 13 19.507 12.135 3.091 109 HB VAL 13 HB VAL 13 18.480 13.722 1.392 110 HG11 VAL 13 1HG1 VAL 13 16.218 12.338 2.686 111 HG12 VAL 13 2HG1 VAL 13 16.827 12.223 1.033 112 HG13 VAL 13 3HG1 VAL 13 17.636 11.349 2.335 113 HG21 VAL 13 3HG2 VAL 13 16.482 14.324 3.550 114 HG22 VAL 13 1HG2 VAL 13 17.857 15.384 3.238 115 HG23 VAL 13 2HG2 VAL 13 16.667 15.087 1.971 116 H TRP 14 H TRP 14 20.630 13.571 1.378 117 HA TRP 14 HA TRP 14 22.074 15.730 2.772 118 HB2 TRP 14 2HB TRP 14 23.132 13.337 1.829 119 HB3 TRP 14 3HB TRP 14 23.556 14.509 0.584 120 HD1 TRP 14 HD1 TRP 14 23.484 15.131 4.404 121 HE1 TRP 14 HE1 TRP 14 25.836 15.883 5.131 122 HE3 TRP 14 HE3 TRP 14 25.919 14.609 -0.060 123 HZ2 TRP 14 HZ2 TRP 14 28.386 16.212 3.966 124 HZ3 TRP 14 HZ3 TRP 14 28.314 15.163 -0.169 125 HH2 TRP 14 HH2 TRP 14 29.520 15.949 1.803 126 H LEU 15 H LEU 15 22.210 17.653 1.774 127 HA LEU 15 HA LEU 15 21.159 17.830 -0.973 128 HB2 LEU 15 2HB LEU 15 19.913 18.925 0.996 129 HB3 LEU 15 3HB LEU 15 21.219 20.109 0.976 130 HG LEU 15 HG LEU 15 19.921 19.661 -1.623 131 HD11 LEU 15 1HD1 LEU 15 17.835 20.435 -1.178 132 HD12 LEU 15 2HD1 LEU 15 18.353 21.355 0.234 133 HD13 LEU 15 3HD1 LEU 15 18.140 19.609 0.350 134 HD21 LEU 15 3HD2 LEU 15 21.425 21.417 -1.599 135 HD22 LEU 15 1HD2 LEU 15 20.942 21.946 0.013 136 HD23 LEU 15 2HD2 LEU 15 19.885 22.244 -1.367 137 H LYS 16 H LYS 16 22.422 18.663 -2.515 138 HA LYS 16 HA LYS 16 25.071 19.634 -1.739 139 HB2 LYS 16 2HB LYS 16 25.116 17.849 -3.342 140 HB3 LYS 16 3HB LYS 16 23.950 18.670 -4.372 141 HG2 LYS 16 2HG LYS 16 26.232 18.798 -5.254 142 HG3 LYS 16 3HG LYS 16 25.565 20.392 -4.891 143 HD2 LYS 16 2HD LYS 16 27.871 20.250 -4.140 144 HD3 LYS 16 3HD LYS 16 26.786 20.398 -2.756 145 HE2 LYS 16 2HE LYS 16 28.578 18.722 -2.423 146 HE3 LYS 16 3HE LYS 16 26.957 18.040 -2.308 147 HZ1 LYS 16 3HZ LYS 16 28.222 17.973 -4.931 148 HZ2 LYS 16 1HZ LYS 16 27.236 16.825 -4.174 149 HZ3 LYS 16 2HZ LYS 16 28.871 16.943 -3.756 150 H THR 17 H THR 17 25.246 21.759 -1.488 151 HA THR 17 HA THR 17 23.442 23.668 -2.476 152 HB THR 17 HB THR 17 26.249 24.495 -1.905 153 HG1 THR 17 HG1 THR 17 24.549 23.121 -0.135 154 HG21 THR 17 3HG2 THR 17 23.720 25.561 -0.694 155 HG22 THR 17 1HG2 THR 17 24.196 26.006 -2.332 156 HG23 THR 17 2HG2 THR 17 25.252 26.388 -0.972 157 H GLY 18 H GLY 18 26.561 22.537 -3.705 158 HA2 GLY 18 2HA GLY 18 26.020 22.916 -6.382 159 HA3 GLY 18 3HA GLY 18 26.704 24.438 -5.829 160 H ALA 19 H ALA 19 28.705 23.874 -4.236 161 HA ALA 19 HA ALA 19 30.326 21.683 -5.123 162 HB1 ALA 19 1HB ALA 19 31.208 24.451 -5.932 163 HB2 ALA 19 2HB ALA 19 32.068 22.937 -6.214 164 HB3 ALA 19 3HB ALA 19 30.537 23.246 -7.032 165 H ASN 20 H ASN 20 31.409 21.086 -3.373 166 HA ASN 20 HA ASN 20 32.599 21.141 -1.435 167 HB2 ASN 20 2HB ASN 20 33.344 23.593 -2.812 168 HB3 ASN 20 3HB ASN 20 33.423 23.776 -1.062 169 HD21 ASN 20 1HD2 ASN 20 35.494 23.583 -3.215 170 HD22 ASN 20 2HD2 ASN 20 36.569 22.344 -2.674 171 H THR 21 H THR 21 29.715 22.315 -1.809 172 HA THR 21 HA THR 21 29.464 23.145 0.997 173 HB THR 21 HB THR 21 27.441 24.564 -0.157 174 HG1 THR 21 HG1 THR 21 29.692 24.965 -1.848 175 HG21 THR 21 3HG2 THR 21 28.535 26.415 0.649 176 HG22 THR 21 1HG2 THR 21 30.104 25.888 0.042 177 HG23 THR 21 2HG2 THR 21 29.424 25.145 1.489 178 H TRP 22 H TRP 22 28.142 21.803 2.015 179 HA TRP 22 HA TRP 22 25.776 20.791 0.604 180 HB2 TRP 22 2HB TRP 22 26.190 18.584 1.862 181 HB3 TRP 22 3HB TRP 22 27.181 18.916 0.445 182 HD1 TRP 22 HD1 TRP 22 27.423 19.050 4.303 183 HE1 TRP 22 HE1 TRP 22 29.890 18.726 4.959 184 HE3 TRP 22 HE3 TRP 22 29.504 18.996 -0.367 185 HZ2 TRP 22 HZ2 TRP 22 32.389 18.481 3.668 186 HZ3 TRP 22 HZ3 TRP 22 31.940 18.712 -0.569 187 HH2 TRP 22 HH2 TRP 22 33.350 18.461 1.408 188 H TRP 23 H TRP 23 23.945 20.719 1.804 189 HA TRP 23 HA TRP 23 24.178 21.207 4.695 190 HB2 TRP 23 2HB TRP 23 22.046 22.506 3.006 191 HB3 TRP 23 3HB TRP 23 22.510 22.887 4.662 192 HD1 TRP 23 HD1 TRP 23 22.901 24.195 1.298 193 HE1 TRP 23 HE1 TRP 23 24.875 25.838 1.146 194 HE3 TRP 23 HE3 TRP 23 25.231 23.073 5.708 195 HZ2 TRP 23 HZ2 TRP 23 27.124 26.563 2.691 196 HZ3 TRP 23 HZ3 TRP 23 27.289 24.286 6.296 197 HH2 TRP 23 HH2 TRP 23 28.214 25.995 4.818 198 HA PRO 24 HA PRO 24 21.309 17.914 5.164 199 HB2 PRO 24 2HB PRO 24 20.111 18.633 7.492 200 HB3 PRO 24 3HB PRO 24 21.765 18.013 7.414 201 HG2 PRO 24 2HG PRO 24 20.811 20.843 7.616 202 HG3 PRO 24 3HG PRO 24 22.145 20.048 8.472 203 HD2 PRO 24 2HD PRO 24 22.540 21.647 6.323 204 HD3 PRO 24 3HD PRO 24 23.583 20.257 6.683 205 H ALA 25 H ALA 25 19.279 17.413 4.528 206 HA ALA 25 HA ALA 25 17.345 19.623 4.270 207 HB1 ALA 25 1HB ALA 25 16.917 17.412 2.430 208 HB2 ALA 25 2HB ALA 25 16.995 19.146 2.119 209 HB3 ALA 25 3HB ALA 25 18.480 18.198 2.204 210 H LYS 26 H LYS 26 15.372 19.327 5.120 211 HA LYS 26 HA LYS 26 14.595 16.608 5.936 212 HB2 LYS 26 2HB LYS 26 15.249 17.558 7.980 213 HB3 LYS 26 3HB LYS 26 14.590 19.135 7.563 214 HG2 LYS 26 2HG LYS 26 12.571 17.038 7.638 215 HG3 LYS 26 3HG LYS 26 13.402 17.268 9.179 216 HD2 LYS 26 2HD LYS 26 12.232 19.540 7.585 217 HD3 LYS 26 3HD LYS 26 11.327 18.666 8.823 218 HE2 LYS 26 2HE LYS 26 13.202 19.226 10.416 219 HE3 LYS 26 3HE LYS 26 13.830 20.303 9.170 220 HZ1 LYS 26 3HZ LYS 26 12.481 21.841 9.990 221 HZ2 LYS 26 1HZ LYS 26 11.704 20.732 11.005 222 HZ3 LYS 26 2HZ LYS 26 11.168 20.943 9.415 223 H VAL 27 H VAL 27 12.556 16.034 5.453 224 HA VAL 27 HA VAL 27 10.864 18.048 4.155 225 HB VAL 27 HB VAL 27 10.488 15.054 4.130 226 HG11 VAL 27 1HG1 VAL 27 8.546 15.593 3.187 227 HG12 VAL 27 2HG1 VAL 27 8.986 17.301 3.111 228 HG13 VAL 27 3HG1 VAL 27 9.465 16.207 1.812 229 HG21 VAL 27 3HG2 VAL 27 12.296 16.792 2.572 230 HG22 VAL 27 1HG2 VAL 27 12.428 15.079 2.969 231 HG23 VAL 27 2HG2 VAL 27 11.376 15.601 1.653 232 H THR 28 H THR 28 9.199 18.868 5.220 233 HA THR 28 HA THR 28 8.377 17.784 7.756 234 HB THR 28 HB THR 28 8.459 20.197 7.492 235 HG1 THR 28 HG1 THR 28 5.745 19.345 7.687 236 HG21 THR 28 3HG2 THR 28 6.754 19.612 5.139 237 HG22 THR 28 1HG2 THR 28 7.998 20.842 5.358 238 HG23 THR 28 2HG2 THR 28 6.391 21.081 6.044 239 H SER 29 H SER 29 7.607 17.027 4.629 240 HA SER 29 HA SER 29 5.975 15.766 3.668 241 HB2 SER 29 2HB SER 29 6.290 14.627 6.056 242 HB3 SER 29 3HB SER 29 4.641 15.213 6.277 243 HG SER 29 HG SER 29 5.326 13.026 5.088 244 H VAL 30 H VAL 30 5.482 18.351 3.454 245 HA VAL 30 HA VAL 30 2.602 18.607 4.031 246 HB VAL 30 HB VAL 30 4.630 20.845 3.924 247 HG11 VAL 30 1HG1 VAL 30 2.898 22.158 3.460 248 HG12 VAL 30 2HG1 VAL 30 1.764 20.816 3.625 249 HG13 VAL 30 3HG1 VAL 30 2.240 21.749 5.044 250 HG21 VAL 30 3HG2 VAL 30 4.636 19.342 5.965 251 HG22 VAL 30 1HG2 VAL 30 4.382 21.062 6.262 252 HG23 VAL 30 2HG2 VAL 30 3.014 19.950 6.298 253 H THR 31 H THR 31 1.488 18.418 2.210 254 HA THR 31 HA THR 31 2.647 18.788 -0.370 255 HB THR 31 HB THR 31 0.804 17.165 0.116 256 HG1 THR 31 HG1 THR 31 0.939 17.472 -2.010 257 HG21 THR 31 3HG2 THR 31 -0.453 19.342 1.252 258 HG22 THR 31 1HG2 THR 31 -1.209 17.796 0.872 259 HG23 THR 31 2HG2 THR 31 -1.311 19.133 -0.274 260 H GLY 32 H GLY 32 1.151 20.103 -2.009 261 HA2 GLY 32 2HA GLY 32 0.637 22.759 -0.833 262 HA3 GLY 32 3HA GLY 32 1.620 22.593 -2.280 263 H VAL 33 H VAL 33 -1.339 20.840 -1.446 264 HA VAL 33 HA VAL 33 -2.879 22.370 -3.379 265 HB VAL 33 HB VAL 33 -2.416 19.405 -3.732 266 HG11 VAL 33 1HG1 VAL 33 -3.825 20.523 -5.908 267 HG12 VAL 33 2HG1 VAL 33 -4.389 19.320 -4.746 268 HG13 VAL 33 3HG1 VAL 33 -4.648 21.038 -4.436 269 HG21 VAL 33 3HG2 VAL 33 -1.635 21.792 -5.398 270 HG22 VAL 33 1HG2 VAL 33 -0.564 20.633 -4.611 271 HG23 VAL 33 2HG2 VAL 33 -1.565 20.126 -5.972 272 H GLU 34 H GLU 34 -3.285 19.101 -2.045 273 HA GLU 34 HA GLU 34 -4.965 19.783 0.086 274 HB2 GLU 34 2HB GLU 34 -7.156 19.065 -0.875 275 HB3 GLU 34 3HB GLU 34 -6.552 20.583 -1.524 276 HG2 GLU 34 2HG GLU 34 -5.541 18.674 -3.249 277 HG3 GLU 34 3HG GLU 34 -7.165 18.100 -2.875 278 H GLY 35 H GLY 35 -2.872 17.927 -0.622 279 HA2 GLY 35 2HA GLY 35 -2.486 15.821 0.401 280 HA3 GLY 35 3HA GLY 35 -4.203 15.471 0.266 281 H VAL 36 H VAL 36 -2.145 16.676 -2.326 282 HA VAL 36 HA VAL 36 -2.889 14.370 -3.941 283 HB VAL 36 HB VAL 36 -1.293 16.802 -4.752 284 HG11 VAL 36 1HG1 VAL 36 -2.667 14.651 -6.357 285 HG12 VAL 36 2HG1 VAL 36 -1.979 16.127 -7.038 286 HG13 VAL 36 3HG1 VAL 36 -0.933 14.948 -6.245 287 HG21 VAL 36 3HG2 VAL 36 -3.526 17.427 -3.966 288 HG22 VAL 36 1HG2 VAL 36 -3.370 17.653 -5.708 289 HG23 VAL 36 2HG2 VAL 36 -4.244 16.259 -5.075 290 H ASP 37 H ASP 37 -0.229 15.510 -2.113 291 HA ASP 37 HA ASP 37 1.951 14.426 -3.457 292 HB2 ASP 37 2HB ASP 37 2.343 15.857 -1.586 293 HB3 ASP 37 3HB ASP 37 1.434 14.803 -0.507 294 H GLY 38 H GLY 38 -0.589 12.864 -1.707 295 HA2 GLY 38 2HA GLY 38 0.894 10.343 -1.568 296 HA3 GLY 38 3HA GLY 38 -0.668 10.667 -0.833 297 H ARG 39 H ARG 39 -1.150 11.932 -3.713 298 HA ARG 39 HA ARG 39 -2.255 9.438 -4.785 299 HB2 ARG 39 2HB ARG 39 -2.876 12.332 -5.390 300 HB3 ARG 39 3HB ARG 39 -3.598 10.975 -6.244 301 HG2 ARG 39 2HG ARG 39 -4.551 10.171 -4.127 302 HG3 ARG 39 3HG ARG 39 -3.863 11.573 -3.305 303 HD2 ARG 39 2HD ARG 39 -5.588 12.835 -3.912 304 HD3 ARG 39 3HD ARG 39 -5.340 12.424 -5.609 305 HE ARG 39 HE ARG 39 -7.273 11.278 -3.806 306 HH11 ARG 39 1HH1 ARG 39 -5.476 10.856 -6.757 307 HH12 ARG 39 2HH1 ARG 39 -6.606 9.733 -7.438 308 HH21 ARG 39 1HH2 ARG 39 -8.768 9.801 -4.691 309 HH22 ARG 39 2HH2 ARG 39 -8.479 9.134 -6.263 310 H SER 40 H SER 40 -1.279 12.393 -6.481 311 HA SER 40 HA SER 40 1.046 11.483 -7.687 312 HB2 SER 40 2HB SER 40 -1.429 10.445 -8.917 313 HB3 SER 40 3HB SER 40 -0.281 11.167 -10.045 314 HG SER 40 HG SER 40 0.660 9.291 -9.910 315 H SER 41 H SER 41 1.962 13.058 -8.933 316 HA SER 41 HA SER 41 0.931 15.657 -8.791 317 HB2 SER 41 2HB SER 41 3.307 15.322 -9.012 318 HB3 SER 41 3HB SER 41 3.096 14.492 -10.554 319 HG SER 41 HG SER 41 3.539 16.476 -11.219 320 H GLU 42 H GLU 42 0.318 13.124 -11.014 321 HA GLU 42 HA GLU 42 -0.326 14.532 -13.336 322 HB2 GLU 42 2HB GLU 42 -1.655 12.590 -13.964 323 HB3 GLU 42 3HB GLU 42 -0.135 12.084 -13.240 324 HG2 GLU 42 2HG GLU 42 -1.356 10.738 -11.968 325 HG3 GLU 42 3HG GLU 42 -1.833 12.188 -11.086 326 H THR 43 H THR 43 -2.151 13.993 -10.396 327 HA THR 43 HA THR 43 -4.709 14.665 -11.218 328 HB THR 43 HB THR 43 -3.467 15.422 -8.568 329 HG1 THR 43 HG1 THR 43 -3.226 13.283 -8.559 330 HG21 THR 43 3HG2 THR 43 -6.200 15.472 -9.659 331 HG22 THR 43 1HG2 THR 43 -5.494 16.386 -8.327 332 HG23 THR 43 2HG2 THR 43 -6.044 14.731 -8.066 333 H GLY 44 H GLY 44 -2.407 16.899 -9.639 334 HA2 GLY 44 2HA GLY 44 -3.317 19.031 -11.425 335 HA3 GLY 44 3HA GLY 44 -3.551 19.269 -9.699 336 H THR 45 H THR 45 -1.637 19.257 -8.327 337 HA THR 45 HA THR 45 0.954 19.511 -9.557 338 HB THR 45 HB THR 45 1.168 21.873 -8.387 339 HG1 THR 45 HG1 THR 45 -0.938 22.058 -7.641 340 HG21 THR 45 3HG2 THR 45 -0.269 21.966 -10.995 341 HG22 THR 45 1HG2 THR 45 1.257 21.087 -10.910 342 HG23 THR 45 2HG2 THR 45 1.200 22.799 -10.487 343 H SER 46 H SER 46 0.776 17.660 -7.911 344 HA SER 46 HA SER 46 0.719 18.226 -5.144 345 HB2 SER 46 2HB SER 46 0.469 15.990 -5.270 346 HB3 SER 46 3HB SER 46 1.252 15.910 -6.848 347 HG SER 46 HG SER 46 2.836 15.045 -5.777 348 H THR 47 H THR 47 2.107 19.616 -4.253 349 HA THR 47 HA THR 47 4.973 19.296 -4.871 350 HB THR 47 HB THR 47 5.335 21.627 -4.518 351 HG1 THR 47 HG1 THR 47 2.608 22.139 -4.045 352 HG21 THR 47 3HG2 THR 47 4.061 20.737 -6.663 353 HG22 THR 47 1HG2 THR 47 4.376 22.456 -6.427 354 HG23 THR 47 2HG2 THR 47 2.787 21.790 -6.048 355 H VAL 48 H VAL 48 6.213 18.683 -3.229 356 HA VAL 48 HA VAL 48 5.099 18.733 -0.523 357 HB VAL 48 HB VAL 48 7.570 17.323 -1.540 358 HG11 VAL 48 1HG1 VAL 48 6.946 15.990 0.669 359 HG12 VAL 48 2HG1 VAL 48 7.983 17.417 0.698 360 HG13 VAL 48 3HG1 VAL 48 6.276 17.557 1.121 361 HG21 VAL 48 3HG2 VAL 48 5.621 15.461 -0.798 362 HG22 VAL 48 1HG2 VAL 48 4.774 16.672 -1.761 363 HG23 VAL 48 2HG2 VAL 48 6.175 15.835 -2.430 364 H THR 49 H THR 49 5.567 20.468 0.650 365 HA THR 49 HA THR 49 7.920 22.059 0.127 366 HB THR 49 HB THR 49 5.911 22.399 2.359 367 HG1 THR 49 HG1 THR 49 4.610 23.263 0.925 368 HG21 THR 49 3HG2 THR 49 7.755 24.400 1.050 369 HG22 THR 49 1HG2 THR 49 8.062 23.616 2.599 370 HG23 THR 49 2HG2 THR 49 6.676 24.692 2.414 371 H VAL 50 H VAL 50 9.828 21.814 1.077 372 HA VAL 50 HA VAL 50 9.949 20.322 3.619 373 HB VAL 50 HB VAL 50 12.017 19.372 3.008 374 HG11 VAL 50 1HG1 VAL 50 9.878 18.585 1.792 375 HG12 VAL 50 2HG1 VAL 50 10.614 19.313 0.363 376 HG13 VAL 50 3HG1 VAL 50 11.443 18.010 1.216 377 HG21 VAL 50 3HG2 VAL 50 12.068 21.504 0.912 378 HG22 VAL 50 1HG2 VAL 50 13.301 21.063 2.093 379 HG23 VAL 50 2HG2 VAL 50 13.011 20.029 0.694 380 H LEU 51 H LEU 51 11.357 21.042 5.219 381 HA LEU 51 HA LEU 51 12.714 23.601 4.757 382 HB2 LEU 51 2HB LEU 51 10.339 23.588 5.978 383 HB3 LEU 51 3HB LEU 51 11.362 23.231 7.368 384 HG LEU 51 HG LEU 51 11.747 25.631 5.585 385 HD11 LEU 51 1HD1 LEU 51 9.558 25.748 6.648 386 HD12 LEU 51 2HD1 LEU 51 10.666 26.927 7.349 387 HD13 LEU 51 3HD1 LEU 51 10.294 25.440 8.220 388 HD21 LEU 51 3HD2 LEU 51 13.220 26.418 7.254 389 HD22 LEU 51 1HD2 LEU 51 13.670 24.737 6.968 390 HD23 LEU 51 2HD2 LEU 51 12.723 25.166 8.392 391 H THR 52 H THR 52 14.787 23.225 5.153 392 HA THR 52 HA THR 52 15.757 21.066 6.694 393 HB THR 52 HB THR 52 17.940 21.908 6.311 394 HG1 THR 52 HG1 THR 52 18.266 24.093 5.640 395 HG21 THR 52 3HG2 THR 52 16.341 21.353 4.276 396 HG22 THR 52 1HG2 THR 52 17.986 21.933 4.019 397 HG23 THR 52 2HG2 THR 52 16.628 23.051 3.895 398 H TYR 53 H TYR 53 17.742 21.965 8.296 399 HA TYR 53 HA TYR 53 16.247 23.257 10.472 400 HB2 TYR 53 2HB TYR 53 17.952 20.965 10.369 401 HB3 TYR 53 3HB TYR 53 18.696 22.166 11.418 402 HD1 TYR 53 HD2 TYR 53 15.121 21.247 10.840 403 HD2 TYR 53 HD1 TYR 53 18.337 21.527 13.612 404 HE1 TYR 53 HE2 TYR 53 13.602 20.591 12.660 405 HE2 TYR 53 HE1 TYR 53 16.827 20.871 15.439 406 HH TYR 53 HH TYR 53 13.574 20.974 15.263 407 HA PRO 54 HA PRO 54 18.799 26.831 10.341 408 HB2 PRO 54 2HB PRO 54 18.709 27.581 12.949 409 HB3 PRO 54 3HB PRO 54 17.337 27.762 11.849 410 HG2 PRO 54 2HG PRO 54 17.868 25.628 13.880 411 HG3 PRO 54 3HG PRO 54 16.353 26.475 13.517 412 HD2 PRO 54 2HD PRO 54 16.890 23.987 12.591 413 HD3 PRO 54 3HD PRO 54 15.908 25.153 11.682 414 H GLY 55 H GLY 55 20.941 26.801 10.092 415 HA2 GLY 55 2HA GLY 55 22.641 25.053 11.588 416 HA3 GLY 55 3HA GLY 55 23.158 26.250 10.409 417 H THR 56 H THR 56 24.777 27.250 11.475 418 HA THR 56 HA THR 56 24.268 28.229 14.194 419 HB THR 56 HB THR 56 26.322 27.016 14.059 420 HG1 THR 56 HG1 THR 56 26.960 28.600 15.321 421 HG21 THR 56 3HG2 THR 56 26.907 28.758 11.672 422 HG22 THR 56 1HG2 THR 56 26.801 26.999 11.734 423 HG23 THR 56 2HG2 THR 56 28.152 27.829 12.507 424 H GLN 57 H GLN 57 24.915 29.284 10.928 425 HA GLN 57 HA GLN 57 24.563 32.069 11.818 426 HB2 GLN 57 2HB GLN 57 26.716 30.878 10.264 427 HB3 GLN 57 3HB GLN 57 25.951 32.214 9.414 428 HG2 GLN 57 2HG GLN 57 26.803 32.509 12.264 429 HG3 GLN 57 3HG GLN 57 27.963 32.687 10.948 430 HE21 GLN 57 1HE2 GLN 57 26.661 34.003 9.049 431 HE22 GLN 57 2HE2 GLN 57 26.123 35.548 9.603 432 H ASN 58 H ASN 58 24.004 29.650 9.337 433 HA ASN 58 HA ASN 58 22.245 31.467 7.873 434 HB2 ASN 58 2HB ASN 58 23.988 29.535 7.004 435 HB3 ASN 58 3HB ASN 58 22.444 28.691 6.930 436 HD21 ASN 58 1HD2 ASN 58 21.211 29.004 5.213 437 HD22 ASN 58 2HD2 ASN 58 21.417 30.256 4.040 438 H LYS 59 H LYS 59 20.058 31.114 7.591 439 HA LYS 59 HA LYS 59 18.835 29.320 9.562 440 HB2 LYS 59 2HB LYS 59 18.342 31.956 9.023 441 HB3 LYS 59 3HB LYS 59 17.089 31.165 8.077 442 HG2 LYS 59 2HG LYS 59 16.106 31.596 10.153 443 HG3 LYS 59 3HG LYS 59 16.518 29.880 10.195 444 HD2 LYS 59 2HD LYS 59 18.535 30.384 11.469 445 HD3 LYS 59 3HD LYS 59 18.164 32.108 11.396 446 HE2 LYS 59 2HE LYS 59 15.878 30.748 12.395 447 HE3 LYS 59 3HE LYS 59 17.287 30.177 13.288 448 HZ1 LYS 59 3HZ LYS 59 15.916 32.489 13.753 449 HZ2 LYS 59 1HZ LYS 59 17.303 33.013 12.937 450 HZ3 LYS 59 2HZ LYS 59 17.449 32.104 14.356 451 H ALA 60 H ALA 60 17.052 27.988 8.988 452 HA ALA 60 HA ALA 60 17.356 26.710 6.453 453 HB1 ALA 60 1HB ALA 60 16.744 25.546 8.579 454 HB2 ALA 60 2HB ALA 60 15.146 26.282 8.455 455 HB3 ALA 60 3HB ALA 60 15.701 25.165 7.208 456 H THR 61 H THR 61 16.087 26.788 4.660 457 HA THR 61 HA THR 61 14.058 28.915 4.597 458 HB THR 61 HB THR 61 14.919 27.750 2.032 459 HG1 THR 61 HG1 THR 61 16.986 28.015 2.352 460 HG21 THR 61 3HG2 THR 61 14.555 30.526 3.149 461 HG22 THR 61 1HG2 THR 61 13.529 29.679 1.992 462 HG23 THR 61 2HG2 THR 61 15.140 30.214 1.514 463 H TYR 62 H TYR 62 12.231 28.535 3.045 464 HA TYR 62 HA TYR 62 11.379 25.715 3.100 465 HB2 TYR 62 2HB TYR 62 9.029 26.637 3.359 466 HB3 TYR 62 3HB TYR 62 10.075 26.800 4.765 467 HD1 TYR 62 HD2 TYR 62 10.989 29.007 5.381 468 HD2 TYR 62 HD1 TYR 62 8.219 28.562 2.182 469 HE1 TYR 62 HE2 TYR 62 10.548 31.426 5.433 470 HE2 TYR 62 HE1 TYR 62 7.771 30.980 2.225 471 HH TYR 62 HH TYR 62 8.197 32.914 3.223 472 H LYS 63 H LYS 63 10.883 24.892 1.183 473 HA LYS 63 HA LYS 63 9.829 26.625 -0.920 474 HB2 LYS 63 2HB LYS 63 12.384 26.380 -1.080 475 HB3 LYS 63 3HB LYS 63 12.070 24.710 -1.533 476 HG2 LYS 63 2HG LYS 63 11.329 25.263 -3.588 477 HG3 LYS 63 3HG LYS 63 10.569 26.756 -3.033 478 HD2 LYS 63 2HD LYS 63 12.937 27.660 -2.750 479 HD3 LYS 63 3HD LYS 63 13.462 26.260 -3.689 480 HE2 LYS 63 2HE LYS 63 11.800 26.988 -5.452 481 HE3 LYS 63 3HE LYS 63 11.631 28.491 -4.545 482 HZ1 LYS 63 3HZ LYS 63 13.449 28.060 -6.481 483 HZ2 LYS 63 1HZ LYS 63 14.361 27.740 -5.092 484 HZ3 LYS 63 2HZ LYS 63 13.593 29.236 -5.274 485 H ASN 64 H ASN 64 8.609 25.548 -2.496 486 HA ASN 64 HA ASN 64 7.720 22.879 -1.674 487 HB2 ASN 64 2HB ASN 64 5.721 23.318 -3.008 488 HB3 ASN 64 3HB ASN 64 6.000 24.636 -1.874 489 HD21 ASN 64 1HD2 ASN 64 5.522 23.774 -5.096 490 HD22 ASN 64 2HD2 ASN 64 5.828 25.315 -5.814 491 H VAL 65 H VAL 65 8.272 21.139 -2.801 492 HA VAL 65 HA VAL 65 8.727 21.317 -5.669 493 HB VAL 65 HB VAL 65 10.894 20.227 -5.605 494 HG11 VAL 65 1HG1 VAL 65 10.821 22.688 -3.861 495 HG12 VAL 65 2HG1 VAL 65 12.241 22.069 -4.707 496 HG13 VAL 65 3HG1 VAL 65 10.856 22.661 -5.624 497 HG21 VAL 65 3HG2 VAL 65 11.393 18.997 -3.814 498 HG22 VAL 65 1HG2 VAL 65 11.815 20.506 -3.005 499 HG23 VAL 65 2HG2 VAL 65 10.197 19.829 -2.820 500 H ASP 66 H ASP 66 8.680 19.284 -6.736 501 HA ASP 66 HA ASP 66 6.824 17.459 -5.748 502 HB2 ASP 66 2HB ASP 66 8.117 17.860 -8.157 503 HB3 ASP 66 3HB ASP 66 8.708 16.280 -7.648 504 H SER 67 H SER 67 10.311 17.535 -5.461 505 HA SER 67 HA SER 67 10.393 15.882 -3.211 506 HB2 SER 67 2HB SER 67 10.026 14.374 -5.533 507 HB3 SER 67 3HB SER 67 11.748 14.232 -5.181 508 HG SER 67 HG SER 67 10.163 12.710 -4.130 509 H HIS 68 H HIS 68 12.133 16.832 -6.141 510 HA HIS 68 HA HIS 68 14.194 17.740 -6.464 511 HB2 HIS 68 2HB HIS 68 13.410 18.604 -3.790 512 HB3 HIS 68 3HB HIS 68 15.158 18.501 -3.977 513 HD1 HIS 68 HD1 HIS 68 15.565 21.010 -4.002 514 HD2 HIS 68 HD2 HIS 68 12.874 19.755 -6.907 515 HE1 HIS 68 HE1 HIS 68 15.227 22.996 -5.508 516 H SER 69 H SER 69 13.721 14.897 -5.364 517 HA SER 69 HA SER 69 15.973 14.123 -3.876 518 HB2 SER 69 2HB SER 69 13.832 12.788 -4.345 519 HB3 SER 69 3HB SER 69 14.586 12.341 -5.875 520 HG SER 69 HG SER 69 15.285 10.775 -4.590 521 H SER 70 H SER 70 15.617 14.964 -7.182 522 HA SER 70 HA SER 70 17.844 13.505 -8.205 523 HB2 SER 70 2HB SER 70 15.835 15.290 -9.237 524 HB3 SER 70 3HB SER 70 17.424 15.782 -9.821 525 HG SER 70 HG SER 70 15.961 13.855 -10.764 526 H ALA 71 H ALA 71 17.637 16.131 -6.152 527 HA ALA 71 HA ALA 71 20.330 17.063 -6.909 528 HB1 ALA 71 1HB ALA 71 19.643 19.146 -5.577 529 HB2 ALA 71 2HB ALA 71 18.943 18.918 -7.179 530 HB3 ALA 71 3HB ALA 71 17.996 18.538 -5.741 531 H ILE 72 H ILE 72 18.361 15.679 -4.453 532 HA ILE 72 HA ILE 72 20.579 15.919 -2.526 533 HB ILE 72 HB ILE 72 18.971 15.667 -0.723 534 HG12 ILE 72 2HG1 ILE 72 16.883 15.618 -2.914 535 HG13 ILE 72 3HG1 ILE 72 17.331 14.262 -1.885 536 HG21 ILE 72 1HG2 ILE 72 19.183 17.891 -2.441 537 HG22 ILE 72 2HG2 ILE 72 17.493 17.779 -1.952 538 HG23 ILE 72 3HG2 ILE 72 18.760 17.875 -0.729 539 HD11 ILE 72 3HD1 ILE 72 15.428 16.344 -1.422 540 HD12 ILE 72 1HD1 ILE 72 15.737 14.880 -0.488 541 HD13 ILE 72 2HD1 ILE 72 16.652 16.351 -0.152 542 H THR 73 H THR 73 21.380 14.100 -1.600 543 HA THR 73 HA THR 73 20.494 11.560 -2.734 544 HB THR 73 HB THR 73 22.619 10.852 -1.238 545 HG1 THR 73 HG1 THR 73 23.303 13.465 -2.115 546 HG21 THR 73 3HG2 THR 73 22.166 10.712 -3.770 547 HG22 THR 73 1HG2 THR 73 23.843 10.762 -3.230 548 HG23 THR 73 2HG2 THR 73 23.080 12.216 -3.874 549 H PHE 74 H PHE 74 20.786 9.637 -1.125 550 HA PHE 74 HA PHE 74 19.324 10.327 1.338 551 HB2 PHE 74 2HB PHE 74 18.159 8.915 -0.467 552 HB3 PHE 74 3HB PHE 74 19.257 7.624 0.011 553 HD1 PHE 74 HD1 PHE 74 19.086 6.595 2.212 554 HD2 PHE 74 HD2 PHE 74 16.353 9.604 0.950 555 HE1 PHE 74 HE1 PHE 74 17.561 5.972 4.040 556 HE2 PHE 74 HE2 PHE 74 14.824 8.986 2.776 557 HZ PHE 74 HZ PHE 74 15.428 7.169 4.325 558 H PHE 75 H PHE 75 21.334 10.652 2.441 559 HA PHE 75 HA PHE 75 22.237 8.367 3.832 560 HB2 PHE 75 2HB PHE 75 23.611 8.937 1.376 561 HB3 PHE 75 3HB PHE 75 24.705 9.204 2.730 562 HD1 PHE 75 HD1 PHE 75 24.071 7.205 4.648 563 HD2 PHE 75 HD2 PHE 75 24.055 6.912 0.402 564 HE1 PHE 75 HE1 PHE 75 24.453 4.780 4.817 565 HE2 PHE 75 HE2 PHE 75 24.436 4.487 0.564 566 HZ PHE 75 HZ PHE 75 24.635 3.417 2.774 567 H GLU 76 H GLU 76 24.566 9.075 4.894 568 HA GLU 76 HA GLU 76 24.083 11.781 5.955 569 HB2 GLU 76 2HB GLU 76 25.376 10.856 7.985 570 HB3 GLU 76 3HB GLU 76 23.708 10.349 7.760 571 HG2 GLU 76 2HG GLU 76 24.281 8.207 7.221 572 HG3 GLU 76 3HG GLU 76 25.861 8.670 6.591 573 HA PRO 77 HA PRO 77 28.096 13.051 4.720 574 HB2 PRO 77 2HB PRO 77 28.817 14.682 6.767 575 HB3 PRO 77 3HB PRO 77 27.587 15.121 5.576 576 HG2 PRO 77 2HG PRO 77 27.242 14.035 8.345 577 HG3 PRO 77 3HG PRO 77 26.352 15.338 7.534 578 HD2 PRO 77 2HD PRO 77 25.367 12.826 7.769 579 HD3 PRO 77 3HD PRO 77 25.005 13.868 6.377 580 H SER 78 H SER 78 30.390 13.480 5.821 581 HA SER 78 HA SER 78 31.062 10.976 7.201 582 HB2 SER 78 2HB SER 78 32.441 12.676 5.208 583 HB3 SER 78 3HB SER 78 33.469 11.969 6.455 584 HG SER 78 HG SER 78 31.672 10.543 4.780 585 H SER 79 H SER 79 30.745 14.297 7.714 586 HA SER 79 HA SER 79 31.118 15.610 9.539 587 HB2 SER 79 2HB SER 79 31.216 12.921 10.580 588 HB3 SER 79 3HB SER 79 32.371 13.945 11.433 589 HG SER 79 HG SER 79 30.238 13.973 12.344 590 H GLU 80 H GLU 80 33.775 13.316 10.052 591 HA GLU 80 HA GLU 80 35.718 15.295 10.438 592 HB2 GLU 80 2HB GLU 80 35.705 12.366 10.052 593 HB3 GLU 80 3HB GLU 80 37.214 13.174 9.651 594 HG2 GLU 80 2HG GLU 80 37.298 14.151 11.879 595 HG3 GLU 80 3HG GLU 80 35.773 13.367 12.286 596 H LYS 81 H LYS 81 34.665 13.606 7.544 597 HA LYS 81 HA LYS 81 36.773 14.594 5.882 598 HB2 LYS 81 2HB LYS 81 35.185 12.522 5.574 599 HB3 LYS 81 3HB LYS 81 34.137 13.694 4.785 600 HG2 LYS 81 2HG LYS 81 36.452 14.236 3.535 601 HG3 LYS 81 3HG LYS 81 36.689 12.524 3.892 602 HD2 LYS 81 2HD LYS 81 35.188 11.892 2.356 603 HD3 LYS 81 3HD LYS 81 34.025 13.117 2.869 604 HE2 LYS 81 2HE LYS 81 34.657 13.538 0.585 605 HE3 LYS 81 3HE LYS 81 35.321 14.809 1.609 606 HZ1 LYS 81 3HZ LYS 81 37.463 13.913 1.441 607 HZ2 LYS 81 1HZ LYS 81 36.847 13.833 -0.133 608 HZ3 LYS 81 2HZ LYS 81 36.908 12.439 0.824 609 H ALA 82 H ALA 82 33.938 15.952 7.143 610 HA ALA 82 HA ALA 82 33.778 17.961 5.009 611 HB1 ALA 82 1HB ALA 82 31.853 16.798 6.873 612 HB2 ALA 82 2HB ALA 82 31.745 18.554 6.741 613 HB3 ALA 82 3HB ALA 82 31.598 17.551 5.298 614 H VAL 83 H VAL 83 34.972 17.474 8.158 615 HA VAL 83 HA VAL 83 34.773 20.145 9.131 616 HB VAL 83 HB VAL 83 36.607 17.889 9.946 617 HG11 VAL 83 1HG1 VAL 83 36.701 19.348 12.094 618 HG12 VAL 83 2HG1 VAL 83 37.746 19.744 10.728 619 HG13 VAL 83 3HG1 VAL 83 36.267 20.664 11.004 620 HG21 VAL 83 3HG2 VAL 83 33.857 18.296 10.350 621 HG22 VAL 83 1HG2 VAL 83 34.895 17.095 11.119 622 HG23 VAL 83 2HG2 VAL 83 34.641 18.662 11.887 623 H THR 84 H THR 84 36.016 21.863 8.741 624 HA THR 84 HA THR 84 38.768 21.645 7.964 625 HB THR 84 HB THR 84 37.024 22.986 5.917 626 HG1 THR 84 HG1 THR 84 37.179 21.011 4.713 627 HG21 THR 84 3HG2 THR 84 39.176 22.018 4.614 628 HG22 THR 84 1HG2 THR 84 39.869 22.250 6.218 629 HG23 THR 84 2HG2 THR 84 39.133 23.610 5.371 630 H ALA 85 H ALA 85 36.060 23.935 7.543 631 HA ALA 85 HA ALA 85 36.803 25.671 9.602 632 HB1 ALA 85 1HB ALA 85 38.032 26.275 6.936 633 HB2 ALA 85 2HB ALA 85 37.654 27.563 8.081 634 HB3 ALA 85 3HB ALA 85 38.779 26.283 8.535 635 H ASN 86 H ASN 86 34.475 24.551 8.270 636 HA ASN 86 HA ASN 86 33.125 26.983 7.318 637 HB2 ASN 86 2HB ASN 86 32.522 24.053 6.924 638 HB3 ASN 86 3HB ASN 86 31.355 25.315 6.540 639 HD21 ASN 86 1HD2 ASN 86 34.497 23.991 5.763 640 HD22 ASN 86 2HD2 ASN 86 34.613 24.687 4.187 641 H GLU 87 H GLU 87 32.457 27.983 9.160 642 HA GLU 87 HA GLU 87 31.584 26.844 11.516 643 HB2 GLU 87 2HB GLU 87 30.302 28.986 11.850 644 HB3 GLU 87 3HB GLU 87 32.004 29.186 11.457 645 HG2 GLU 87 2HG GLU 87 31.308 29.535 9.072 646 HG3 GLU 87 3HG GLU 87 29.641 29.583 9.644 647 H ASP 88 H ASP 88 29.617 27.810 8.716 648 HA ASP 88 HA ASP 88 27.134 27.030 9.768 649 HB2 ASP 88 2HB ASP 88 26.599 26.778 7.202 650 HB3 ASP 88 3HB ASP 88 26.903 28.366 7.901 651 H LEU 89 H LEU 89 29.574 25.246 7.953 652 HA LEU 89 HA LEU 89 28.065 22.918 7.485 653 HB2 LEU 89 2HB LEU 89 30.293 23.622 6.462 654 HB3 LEU 89 3HB LEU 89 31.038 22.968 7.920 655 HG LEU 89 HG LEU 89 30.139 20.754 7.383 656 HD11 LEU 89 1HD1 LEU 89 29.432 21.159 4.654 657 HD12 LEU 89 2HD1 LEU 89 28.449 22.221 5.661 658 HD13 LEU 89 3HD1 LEU 89 28.462 20.483 5.962 659 HD21 LEU 89 3HD2 LEU 89 31.559 21.859 4.973 660 HD22 LEU 89 1HD2 LEU 89 31.658 20.234 5.652 661 HD23 LEU 89 2HD2 LEU 89 32.363 21.597 6.522 662 H LEU 90 H LEU 90 29.968 23.989 10.231 663 HA LEU 90 HA LEU 90 30.163 21.574 11.624 664 HB2 LEU 90 2HB LEU 90 31.430 23.518 12.274 665 HB3 LEU 90 3HB LEU 90 29.951 24.401 12.646 666 HG LEU 90 HG LEU 90 29.535 23.006 14.560 667 HD11 LEU 90 1HD1 LEU 90 31.695 21.434 15.025 668 HD12 LEU 90 2HD1 LEU 90 31.535 21.286 13.275 669 HD13 LEU 90 3HD1 LEU 90 30.179 20.870 14.322 670 HD21 LEU 90 3HD2 LEU 90 31.228 24.922 14.634 671 HD22 LEU 90 1HD2 LEU 90 32.461 23.662 14.688 672 HD23 LEU 90 2HD2 LEU 90 31.247 23.763 15.964 673 H GLN 91 H GLN 91 27.679 24.113 11.819 674 HA GLN 91 HA GLN 91 26.081 22.743 13.722 675 HB2 GLN 91 2HB GLN 91 26.077 25.269 12.488 676 HB3 GLN 91 3HB GLN 91 24.539 24.530 12.064 677 HG2 GLN 91 2HG GLN 91 24.480 25.905 14.126 678 HG3 GLN 91 3HG GLN 91 23.961 24.236 14.354 679 HE21 GLN 91 1HE2 GLN 91 24.386 24.581 16.603 680 HE22 GLN 91 2HE2 GLN 91 26.000 24.460 17.209 681 H ALA 92 H ALA 92 26.121 22.864 10.205 682 HA ALA 92 HA ALA 92 23.675 21.570 9.725 683 HB1 ALA 92 1HB ALA 92 24.323 22.286 7.715 684 HB2 ALA 92 2HB ALA 92 26.023 22.317 8.183 685 HB3 ALA 92 3HB ALA 92 25.290 20.814 7.624 686 H ILE 93 H ILE 93 26.938 20.299 10.226 687 HA ILE 93 HA ILE 93 26.413 17.613 9.631 688 HB ILE 93 HB ILE 93 28.445 18.896 11.445 689 HG12 ILE 93 2HG1 ILE 93 28.641 19.197 8.976 690 HG13 ILE 93 3HG1 ILE 93 30.002 18.334 9.683 691 HG21 ILE 93 1HG2 ILE 93 29.564 16.641 11.436 692 HG22 ILE 93 2HG2 ILE 93 28.105 16.761 12.417 693 HG23 ILE 93 3HG2 ILE 93 28.043 15.976 10.840 694 HD11 ILE 93 3HD1 ILE 93 29.647 16.570 8.394 695 HD12 ILE 93 1HD1 ILE 93 27.937 16.515 8.820 696 HD13 ILE 93 2HD1 ILE 93 28.486 17.555 7.505 697 H ARG 94 H ARG 94 26.015 19.456 12.610 698 HA ARG 94 HA ARG 94 25.428 17.244 14.281 699 HB2 ARG 94 2HB ARG 94 24.640 20.149 14.578 700 HB3 ARG 94 3HB ARG 94 24.542 18.933 15.845 701 HG2 ARG 94 2HG ARG 94 27.171 19.332 14.541 702 HG3 ARG 94 3HG ARG 94 26.591 20.598 15.625 703 HD2 ARG 94 2HD ARG 94 26.246 17.907 16.696 704 HD3 ARG 94 3HD ARG 94 27.931 18.320 16.379 705 HE ARG 94 HE ARG 94 26.254 19.382 18.441 706 HH11 ARG 94 1HH1 ARG 94 28.974 20.059 16.375 707 HH12 ARG 94 2HH1 ARG 94 29.667 21.226 17.452 708 HH21 ARG 94 1HH2 ARG 94 27.157 20.917 19.866 709 HH22 ARG 94 2HH2 ARG 94 28.634 21.712 19.438 710 H ASN 95 H ASN 95 23.372 19.539 12.515 711 HA ASN 95 HA ASN 95 20.896 18.592 13.395 712 HB2 ASN 95 2HB ASN 95 21.513 19.746 10.668 713 HB3 ASN 95 3HB ASN 95 19.946 19.722 11.472 714 HD21 ASN 95 1HD2 ASN 95 20.460 20.540 13.961 715 HD22 ASN 95 2HD2 ASN 95 21.114 22.139 13.965 716 H ALA 96 H ALA 96 22.479 17.882 10.275 717 HA ALA 96 HA ALA 96 20.772 15.954 9.335 718 HB1 ALA 96 1HB ALA 96 22.292 15.680 7.717 719 HB2 ALA 96 2HB ALA 96 23.187 16.963 8.534 720 HB3 ALA 96 3HB ALA 96 23.572 15.273 8.860 721 H GLU 97 H GLU 97 23.215 15.646 11.823 722 HA GLU 97 HA GLU 97 23.195 12.798 11.928 723 HB2 GLU 97 2HB GLU 97 25.118 13.888 12.796 724 HB3 GLU 97 3HB GLU 97 24.151 14.925 13.835 725 HG2 GLU 97 2HG GLU 97 23.559 13.049 15.228 726 HG3 GLU 97 3HG GLU 97 24.407 11.944 14.149 727 H GLU 98 H GLU 98 21.532 15.349 13.729 728 HA GLU 98 HA GLU 98 20.247 13.613 15.568 729 HB2 GLU 98 2HB GLU 98 19.386 15.501 16.468 730 HB3 GLU 98 3HB GLU 98 20.566 16.292 15.433 731 HG2 GLU 98 2HG GLU 98 18.786 16.477 13.688 732 HG3 GLU 98 3HG GLU 98 17.637 15.891 14.890 733 H ASP 99 H ASP 99 19.424 14.814 12.380 734 HA ASP 99 HA ASP 99 16.739 13.741 12.483 735 HB2 ASP 99 2HB ASP 99 18.344 15.294 10.504 736 HB3 ASP 99 3HB ASP 99 16.970 14.364 9.914 737 H LYS 100 H LYS 100 16.754 11.555 12.618 738 HA LYS 100 HA LYS 100 17.817 10.113 10.304 739 HB2 LYS 100 2HB LYS 100 18.458 9.544 13.187 740 HB3 LYS 100 3HB LYS 100 18.517 8.272 11.974 741 HG2 LYS 100 2HG LYS 100 20.058 9.905 10.688 742 HG3 LYS 100 3HG LYS 100 20.244 10.692 12.258 743 HD2 LYS 100 2HD LYS 100 20.629 7.734 11.977 744 HD3 LYS 100 3HD LYS 100 21.930 8.853 11.563 745 HE2 LYS 100 2HE LYS 100 20.909 9.696 14.045 746 HE3 LYS 100 3HE LYS 100 21.066 7.943 14.142 747 HZ1 LYS 100 3HZ LYS 100 23.374 8.188 13.365 748 HZ2 LYS 100 1HZ LYS 100 23.101 8.966 14.842 749 HZ3 LYS 100 2HZ LYS 100 23.204 9.870 13.416 750 H GLU 101 H GLU 101 15.207 10.757 10.554 751 HA GLU 101 HA GLU 101 13.093 9.914 10.588 752 HB2 GLU 101 2HB GLU 101 14.318 8.246 9.103 753 HB3 GLU 101 3HB GLU 101 14.378 7.188 10.506 754 HG2 GLU 101 2HG GLU 101 11.720 7.955 10.343 755 HG3 GLU 101 3HG GLU 101 12.211 7.705 8.669 756 H SER 102 H SER 102 14.615 10.211 13.133 757 HA SER 102 HA SER 102 12.655 9.076 14.864 758 HB2 SER 102 2HB SER 102 14.275 7.143 14.358 759 HB3 SER 102 3HB SER 102 15.446 8.036 15.328 760 HG SER 102 HG SER 102 14.361 6.618 16.667 761 H ASN 103 H ASN 103 13.492 11.673 14.386 762 HA ASN 103 HA ASN 103 15.338 12.495 16.442 763 HB2 ASN 103 2HB ASN 103 14.874 13.617 14.132 764 HB3 ASN 103 3HB ASN 103 13.525 14.380 14.969 765 HD21 ASN 103 1HD2 ASN 103 14.428 16.420 14.736 766 HD22 ASN 103 2HD2 ASN 103 15.789 16.935 15.669 767 H ALA 104 H ALA 104 14.876 13.430 18.382 768 HA ALA 104 HA ALA 104 13.709 13.930 20.271 769 HB1 ALA 104 1HB ALA 104 11.275 14.807 19.744 770 HB2 ALA 104 2HB ALA 104 12.703 15.778 19.385 771 HB3 ALA 104 3HB ALA 104 11.910 14.868 18.099 772 H LEU 105 H LEU 105 13.549 11.219 19.031 773 HA LEU 105 HA LEU 105 10.981 10.311 20.136 774 HB2 LEU 105 2HB LEU 105 11.850 9.778 17.723 775 HB3 LEU 105 3HB LEU 105 12.799 8.549 18.557 776 HG LEU 105 HG LEU 105 9.984 8.477 19.294 777 HD11 LEU 105 1HD1 LEU 105 10.749 8.504 16.426 778 HD12 LEU 105 2HD1 LEU 105 9.258 9.029 17.208 779 HD13 LEU 105 3HD1 LEU 105 9.564 7.310 16.957 780 HD21 LEU 105 3HD2 LEU 105 11.976 6.780 19.530 781 HD22 LEU 105 1HD2 LEU 105 11.456 6.284 17.919 782 HD23 LEU 105 2HD2 LEU 105 10.326 6.212 19.270 783 H ARG 106 H ARG 106 14.459 9.627 20.149 784 HA ARG 106 HA ARG 106 14.151 7.741 22.339 785 HB2 ARG 106 2HB ARG 106 16.740 8.715 21.138 786 HB3 ARG 106 3HB ARG 106 16.457 7.234 22.042 787 HG2 ARG 106 2HG ARG 106 14.761 6.838 20.007 788 HG3 ARG 106 3HG ARG 106 15.962 7.849 19.202 789 HD2 ARG 106 2HD ARG 106 16.711 5.654 18.865 790 HD3 ARG 106 3HD ARG 106 17.703 6.267 20.188 791 HE ARG 106 HE ARG 106 15.419 4.950 21.206 792 HH11 ARG 106 1HH1 ARG 106 18.483 4.320 19.679 793 HH12 ARG 106 2HH1 ARG 106 18.660 2.749 20.386 794 HH21 ARG 106 1HH2 ARG 106 15.640 2.883 22.143 795 HH22 ARG 106 2HH2 ARG 106 17.042 1.932 21.787 796 H PHE 107 H PHE 107 16.246 10.583 21.808 797 HA PHE 107 HA PHE 107 15.834 11.292 24.637 798 HB2 PHE 107 2HB PHE 107 18.391 11.320 23.037 799 HB3 PHE 107 3HB PHE 107 18.207 12.209 24.545 800 HD1 PHE 107 HD2 PHE 107 18.084 8.817 23.066 801 HD2 PHE 107 HD1 PHE 107 18.473 11.144 26.609 802 HE1 PHE 107 HE2 PHE 107 18.685 6.791 24.327 803 HE2 PHE 107 HE1 PHE 107 19.076 9.122 27.875 804 HZ PHE 107 HZ PHE 107 19.181 6.942 26.734 805 H GLU 108 H GLU 108 16.930 13.671 24.871 806 HA GLU 108 HA GLU 108 15.189 15.367 23.354 807 HB2 GLU 108 2HB GLU 108 17.391 16.095 25.295 808 HB3 GLU 108 3HB GLU 108 16.161 17.190 24.680 809 HG2 GLU 108 2HG GLU 108 15.281 14.713 26.062 810 HG3 GLU 108 3HG GLU 108 15.933 16.034 27.030 811 HA PRO 109 HA PRO 109 17.861 16.418 20.023 812 HB2 PRO 109 2HB PRO 109 16.852 18.858 19.391 813 HB3 PRO 109 3HB PRO 109 16.011 17.346 19.026 814 HG2 PRO 109 2HG PRO 109 15.582 19.252 21.295 815 HG3 PRO 109 3HG PRO 109 14.381 18.422 20.288 816 HD2 PRO 109 2HD PRO 109 15.044 17.565 22.769 817 HD3 PRO 109 3HD PRO 109 14.564 16.453 21.471 818 H THR 110 H THR 110 19.009 18.591 19.219 819 HA THR 110 HA THR 110 20.768 19.998 19.554 820 HB THR 110 HB THR 110 19.788 20.705 22.287 821 HG1 THR 110 HG1 THR 110 17.878 21.221 21.558 822 HG21 THR 110 3HG2 THR 110 21.593 22.024 21.585 823 HG22 THR 110 1HG2 THR 110 20.181 23.023 21.242 824 HG23 THR 110 2HG2 THR 110 20.981 22.148 19.936 Start of MODEL 6 1 H1 MET 1 H MET 1 13.853 2.079 -8.010 2 HA MET 1 HA MET 1 16.388 1.997 -8.545 3 HB2 MET 1 2HB MET 1 15.790 4.880 -7.952 4 HB3 MET 1 3HB MET 1 17.382 4.208 -7.625 5 HG2 MET 1 2HG MET 1 17.713 3.678 -9.923 6 HG3 MET 1 3HG MET 1 16.042 4.080 -10.311 7 HE1 MET 1 3HE MET 1 18.342 6.243 -12.188 8 HE2 MET 1 1HE MET 1 19.570 6.222 -10.923 9 HE3 MET 1 2HE MET 1 18.789 4.720 -11.418 10 H LEU 2 H LEU 2 15.306 4.204 -5.974 11 HA LEU 2 HA LEU 2 16.709 2.896 -3.933 12 HB2 LEU 2 2HB LEU 2 15.173 4.167 -2.403 13 HB3 LEU 2 3HB LEU 2 16.065 5.134 -3.576 14 HG LEU 2 HG LEU 2 13.626 4.565 -4.810 15 HD11 LEU 2 1HD1 LEU 2 12.229 5.745 -2.870 16 HD12 LEU 2 2HD1 LEU 2 13.349 4.816 -1.875 17 HD13 LEU 2 3HD1 LEU 2 12.322 3.993 -3.049 18 HD21 LEU 2 3HD2 LEU 2 14.382 6.643 -5.282 19 HD22 LEU 2 1HD2 LEU 2 15.024 6.899 -3.659 20 HD23 LEU 2 2HD2 LEU 2 13.297 7.088 -3.964 21 H GLN 3 H GLN 3 15.565 2.010 -1.921 22 HA GLN 3 HA GLN 3 13.993 -0.261 -2.765 23 HB2 GLN 3 2HB GLN 3 15.656 0.439 -0.490 24 HB3 GLN 3 3HB GLN 3 14.144 -0.303 0.018 25 HG2 GLN 3 2HG GLN 3 15.398 -1.702 -2.201 26 HG3 GLN 3 3HG GLN 3 16.419 -1.624 -0.766 27 HE21 GLN 3 1HE2 GLN 3 12.925 -1.970 -1.283 28 HE22 GLN 3 2HE2 GLN 3 12.754 -3.404 -0.335 29 H GLU 4 H GLU 4 13.536 1.803 0.094 30 HA GLU 4 HA GLU 4 11.039 2.847 -0.597 31 HB2 GLU 4 2HB GLU 4 10.898 0.104 0.024 32 HB3 GLU 4 3HB GLU 4 10.260 0.950 1.427 33 HG2 GLU 4 2HG GLU 4 8.527 1.913 0.216 34 HG3 GLU 4 3HG GLU 4 9.323 1.631 -1.331 35 H ARG 5 H ARG 5 12.293 1.248 2.338 36 HA ARG 5 HA ARG 5 12.669 2.023 4.444 37 HB2 ARG 5 2HB ARG 5 13.828 3.924 2.618 38 HB3 ARG 5 3HB ARG 5 13.248 4.753 4.056 39 HG2 ARG 5 2HG ARG 5 15.146 2.415 4.009 40 HG3 ARG 5 3HG ARG 5 15.578 4.104 4.289 41 HD2 ARG 5 2HD ARG 5 14.057 4.081 6.270 42 HD3 ARG 5 3HD ARG 5 13.849 2.347 6.024 43 HE ARG 5 HE ARG 5 16.150 3.685 7.129 44 HH11 ARG 5 1HH1 ARG 5 14.954 0.801 5.589 45 HH12 ARG 5 2HH1 ARG 5 16.224 -0.208 6.197 46 HH21 ARG 5 1HH2 ARG 5 17.828 2.367 7.937 47 HH22 ARG 5 2HH2 ARG 5 17.858 0.684 7.533 48 H VAL 6 H VAL 6 12.181 4.185 5.877 49 HA VAL 6 HA VAL 6 9.293 4.635 5.526 50 HB VAL 6 HB VAL 6 10.010 3.449 7.606 51 HG11 VAL 6 1HG1 VAL 6 12.084 5.107 7.713 52 HG12 VAL 6 2HG1 VAL 6 10.979 6.006 8.754 53 HG13 VAL 6 3HG1 VAL 6 11.415 4.344 9.155 54 HG21 VAL 6 3HG2 VAL 6 8.405 4.471 8.918 55 HG22 VAL 6 1HG2 VAL 6 8.865 6.093 8.399 56 HG23 VAL 6 2HG2 VAL 6 7.968 5.039 7.306 57 H PHE 7 H PHE 7 8.435 6.686 5.684 58 HA PHE 7 HA PHE 7 10.391 8.875 5.514 59 HB2 PHE 7 2HB PHE 7 7.672 8.465 4.310 60 HB3 PHE 7 3HB PHE 7 8.314 10.092 4.511 61 HD1 PHE 7 HD1 PHE 7 9.039 6.797 2.976 62 HD2 PHE 7 HD2 PHE 7 9.814 10.982 2.963 63 HE1 PHE 7 HE1 PHE 7 10.294 6.555 0.873 64 HE2 PHE 7 HE2 PHE 7 11.069 10.747 0.860 65 HZ PHE 7 HZ PHE 7 11.310 8.531 -0.188 66 H HIS 8 H HIS 8 10.461 10.350 7.075 67 HA HIS 8 HA HIS 8 8.104 10.718 8.792 68 HB2 HIS 8 2HB HIS 8 10.153 9.292 9.714 69 HB3 HIS 8 3HB HIS 8 10.806 10.894 10.040 70 HD1 HIS 8 HD1 HIS 8 10.307 11.656 12.326 71 HD2 HIS 8 HD2 HIS 8 7.315 9.180 10.851 72 HE1 HIS 8 HE1 HIS 8 8.625 11.455 14.184 73 H ILE 9 H ILE 9 8.377 12.739 10.188 74 HA ILE 9 HA ILE 9 8.553 14.984 8.587 75 HB ILE 9 HB ILE 9 7.420 15.067 10.719 76 HG12 ILE 9 2HG1 ILE 9 9.603 16.981 11.290 77 HG13 ILE 9 3HG1 ILE 9 8.908 17.075 9.675 78 HG21 ILE 9 1HG2 ILE 9 8.978 13.549 11.911 79 HG22 ILE 9 2HG2 ILE 9 10.126 14.882 12.029 80 HG23 ILE 9 3HG2 ILE 9 8.561 14.993 12.833 81 HD11 ILE 9 3HD1 ILE 9 7.848 17.979 12.201 82 HD12 ILE 9 1HD1 ILE 9 7.347 18.374 10.557 83 HD13 ILE 9 2HD1 ILE 9 6.712 16.932 11.350 84 H ASN 10 H ASN 10 11.047 13.476 10.577 85 HA ASN 10 HA ASN 10 12.993 15.501 10.278 86 HB2 ASN 10 2HB ASN 10 13.530 12.557 10.702 87 HB3 ASN 10 3HB ASN 10 14.561 13.910 11.159 88 HD21 ASN 10 1HD2 ASN 10 12.198 11.772 12.173 89 HD22 ASN 10 2HD2 ASN 10 11.771 12.542 13.659 90 H ASP 11 H ASP 11 12.452 12.460 8.521 91 HA ASP 11 HA ASP 11 13.325 11.660 6.565 92 HB2 ASP 11 2HB ASP 11 11.841 13.814 6.024 93 HB3 ASP 11 3HB ASP 11 13.388 14.411 5.431 94 H ARG 12 H ARG 12 15.389 11.061 7.244 95 HA ARG 12 HA ARG 12 17.560 12.943 7.263 96 HB2 ARG 12 2HB ARG 12 18.961 10.891 7.613 97 HB3 ARG 12 3HB ARG 12 17.688 11.121 8.804 98 HG2 ARG 12 2HG ARG 12 16.897 9.104 8.370 99 HG3 ARG 12 3HG ARG 12 16.646 9.548 6.681 100 HD2 ARG 12 2HD ARG 12 18.058 7.627 6.721 101 HD3 ARG 12 3HD ARG 12 19.050 9.011 6.266 102 HE ARG 12 HE ARG 12 19.087 8.466 9.082 103 HH11 ARG 12 1HH1 ARG 12 20.487 7.644 6.003 104 HH12 ARG 12 2HH1 ARG 12 21.978 7.082 6.684 105 HH21 ARG 12 1HH2 ARG 12 21.045 7.729 9.991 106 HH22 ARG 12 2HH2 ARG 12 22.294 7.130 8.952 107 H VAL 13 H VAL 13 18.169 13.783 5.364 108 HA VAL 13 HA VAL 13 19.056 11.945 3.276 109 HB VAL 13 HB VAL 13 18.026 13.496 1.537 110 HG11 VAL 13 1HG1 VAL 13 16.437 11.944 1.252 111 HG12 VAL 13 2HG1 VAL 13 17.121 11.188 2.692 112 HG13 VAL 13 3HG1 VAL 13 15.721 12.252 2.834 113 HG21 VAL 13 3HG2 VAL 13 16.362 14.305 3.920 114 HG22 VAL 13 1HG2 VAL 13 17.455 15.343 3.003 115 HG23 VAL 13 2HG2 VAL 13 15.999 14.702 2.240 116 H TRP 14 H TRP 14 20.166 13.273 1.467 117 HA TRP 14 HA TRP 14 21.727 15.429 2.735 118 HB2 TRP 14 2HB TRP 14 22.736 13.032 1.976 119 HB3 TRP 14 3HB TRP 14 22.953 13.947 0.487 120 HD1 TRP 14 HD1 TRP 14 23.400 15.361 4.054 121 HE1 TRP 14 HE1 TRP 14 25.830 16.177 4.292 122 HE3 TRP 14 HE3 TRP 14 25.233 13.777 -0.448 123 HZ2 TRP 14 HZ2 TRP 14 28.208 16.152 2.772 124 HZ3 TRP 14 HZ3 TRP 14 27.595 14.212 -0.979 125 HH2 TRP 14 HH2 TRP 14 29.051 15.376 0.599 126 H LEU 15 H LEU 15 21.890 17.324 1.684 127 HA LEU 15 HA LEU 15 20.689 17.485 -1.001 128 HB2 LEU 15 2HB LEU 15 19.623 18.689 1.006 129 HB3 LEU 15 3HB LEU 15 20.985 19.800 0.883 130 HG LEU 15 HG LEU 15 19.500 19.364 -1.620 131 HD11 LEU 15 1HD1 LEU 15 17.523 20.391 -1.069 132 HD12 LEU 15 2HD1 LEU 15 18.192 21.151 0.375 133 HD13 LEU 15 3HD1 LEU 15 17.816 19.428 0.380 134 HD21 LEU 15 3HD2 LEU 15 21.340 20.988 -1.338 135 HD22 LEU 15 1HD2 LEU 15 20.360 21.856 -0.155 136 HD23 LEU 15 2HD2 LEU 15 19.825 21.746 -1.833 137 H LYS 16 H LYS 16 21.876 18.247 -2.642 138 HA LYS 16 HA LYS 16 24.650 18.953 -2.115 139 HB2 LYS 16 2HB LYS 16 24.281 17.338 -3.863 140 HB3 LYS 16 3HB LYS 16 23.138 18.403 -4.672 141 HG2 LYS 16 2HG LYS 16 25.189 18.464 -5.878 142 HG3 LYS 16 3HG LYS 16 25.001 20.011 -5.047 143 HD2 LYS 16 2HD LYS 16 27.285 19.234 -4.834 144 HD3 LYS 16 3HD LYS 16 26.492 19.199 -3.257 145 HE2 LYS 16 2HE LYS 16 27.885 17.187 -3.770 146 HE3 LYS 16 3HE LYS 16 26.204 16.834 -3.372 147 HZ1 LYS 16 3HZ LYS 16 26.814 17.210 -6.192 148 HZ2 LYS 16 1HZ LYS 16 25.769 16.108 -5.446 149 HZ3 LYS 16 2HZ LYS 16 27.434 15.809 -5.477 150 H THR 17 H THR 17 25.112 21.009 -1.717 151 HA THR 17 HA THR 17 23.413 23.147 -2.665 152 HB THR 17 HB THR 17 26.038 23.686 -1.344 153 HG1 THR 17 HG1 THR 17 23.728 22.668 -0.014 154 HG21 THR 17 3HG2 THR 17 23.388 24.867 -0.619 155 HG22 THR 17 1HG2 THR 17 24.196 25.379 -2.099 156 HG23 THR 17 2HG2 THR 17 24.994 25.589 -0.541 157 H GLY 18 H GLY 18 26.399 21.644 -3.580 158 HA2 GLY 18 2HA GLY 18 26.469 23.066 -6.054 159 HA3 GLY 18 3HA GLY 18 27.721 23.634 -4.958 160 H ALA 19 H ALA 19 29.413 22.235 -4.367 161 HA ALA 19 HA ALA 19 29.555 19.670 -5.775 162 HB1 ALA 19 1HB ALA 19 30.737 20.838 -7.350 163 HB2 ALA 19 2HB ALA 19 31.355 22.006 -6.182 164 HB3 ALA 19 3HB ALA 19 32.039 20.382 -6.251 165 H ASN 20 H ASN 20 31.013 21.866 -3.412 166 HA ASN 20 HA ASN 20 31.963 19.505 -1.925 167 HB2 ASN 20 2HB ASN 20 33.306 22.011 -2.647 168 HB3 ASN 20 3HB ASN 20 33.446 21.602 -0.939 169 HD21 ASN 20 1HD2 ASN 20 35.341 21.592 -3.288 170 HD22 ASN 20 2HD2 ASN 20 36.078 20.030 -3.228 171 H THR 21 H THR 21 29.742 21.958 -1.956 172 HA THR 21 HA THR 21 29.601 22.085 0.984 173 HB THR 21 HB THR 21 27.849 23.950 -0.394 174 HG1 THR 21 HG1 THR 21 29.219 24.634 -1.845 175 HG21 THR 21 3HG2 THR 21 30.050 24.146 1.651 176 HG22 THR 21 1HG2 THR 21 28.310 24.277 1.905 177 HG23 THR 21 2HG2 THR 21 29.177 25.558 1.058 178 H TRP 22 H TRP 22 28.046 20.951 1.924 179 HA TRP 22 HA TRP 22 25.527 20.516 0.477 180 HB2 TRP 22 2HB TRP 22 26.562 18.312 2.199 181 HB3 TRP 22 3HB TRP 22 25.527 18.235 0.776 182 HD1 TRP 22 HD1 TRP 22 26.691 17.969 -1.574 183 HE1 TRP 22 HE1 TRP 22 29.111 17.466 -2.292 184 HE3 TRP 22 HE3 TRP 22 29.047 18.772 2.892 185 HZ2 TRP 22 HZ2 TRP 22 31.678 17.416 -1.121 186 HZ3 TRP 22 HZ3 TRP 22 31.487 18.474 3.008 187 HH2 TRP 22 HH2 TRP 22 32.774 17.810 1.042 188 H TRP 23 H TRP 23 23.684 20.181 1.806 189 HA TRP 23 HA TRP 23 24.040 20.705 4.667 190 HB2 TRP 23 2HB TRP 23 23.041 22.601 2.772 191 HB3 TRP 23 3HB TRP 23 21.722 22.124 3.839 192 HD1 TRP 23 HD1 TRP 23 25.465 22.833 4.626 193 HE1 TRP 23 HE1 TRP 23 25.552 24.545 6.545 194 HE3 TRP 23 HE3 TRP 23 20.452 23.633 5.228 195 HZ2 TRP 23 HZ2 TRP 23 23.736 26.037 8.109 196 HZ3 TRP 23 HZ3 TRP 23 19.710 25.217 6.958 197 HH2 TRP 23 HH2 TRP 23 21.320 26.393 8.368 198 HA PRO 24 HA PRO 24 20.985 17.587 5.168 199 HB2 PRO 24 2HB PRO 24 19.925 18.322 7.557 200 HB3 PRO 24 3HB PRO 24 21.531 17.599 7.400 201 HG2 PRO 24 2HG PRO 24 20.772 20.478 7.705 202 HG3 PRO 24 3HG PRO 24 22.082 19.578 8.490 203 HD2 PRO 24 2HD PRO 24 22.500 21.202 6.364 204 HD3 PRO 24 3HD PRO 24 23.463 19.739 6.651 205 H ALA 25 H ALA 25 18.890 17.226 4.640 206 HA ALA 25 HA ALA 25 17.076 19.547 4.560 207 HB1 ALA 25 1HB ALA 25 16.564 19.233 2.398 208 HB2 ALA 25 2HB ALA 25 18.102 18.371 2.337 209 HB3 ALA 25 3HB ALA 25 16.597 17.475 2.540 210 H LYS 26 H LYS 26 15.095 19.254 5.404 211 HA LYS 26 HA LYS 26 14.255 16.507 6.050 212 HB2 LYS 26 2HB LYS 26 13.420 17.233 8.190 213 HB3 LYS 26 3HB LYS 26 15.109 17.704 8.059 214 HG2 LYS 26 2HG LYS 26 14.313 19.655 8.853 215 HG3 LYS 26 3HG LYS 26 13.965 19.943 7.146 216 HD2 LYS 26 2HD LYS 26 11.779 20.033 7.553 217 HD3 LYS 26 3HD LYS 26 11.819 18.466 8.364 218 HE2 LYS 26 2HE LYS 26 12.871 20.806 9.852 219 HE3 LYS 26 3HE LYS 26 11.127 20.716 9.614 220 HZ1 LYS 26 3HZ LYS 26 12.659 19.371 11.505 221 HZ2 LYS 26 1HZ LYS 26 12.088 18.199 10.427 222 HZ3 LYS 26 2HZ LYS 26 10.998 19.219 11.220 223 H VAL 27 H VAL 27 12.248 15.989 5.439 224 HA VAL 27 HA VAL 27 10.620 18.040 4.167 225 HB VAL 27 HB VAL 27 10.059 15.079 4.336 226 HG11 VAL 27 1HG1 VAL 27 8.636 17.326 3.257 227 HG12 VAL 27 2HG1 VAL 27 9.075 16.207 1.964 228 HG13 VAL 27 3HG1 VAL 27 8.147 15.634 3.351 229 HG21 VAL 27 3HG2 VAL 27 11.938 16.609 2.652 230 HG22 VAL 27 1HG2 VAL 27 11.968 14.914 3.138 231 HG23 VAL 27 2HG2 VAL 27 10.927 15.433 1.813 232 H THR 28 H THR 28 9.027 19.037 5.192 233 HA THR 28 HA THR 28 8.128 18.097 7.776 234 HB THR 28 HB THR 28 8.492 20.468 7.556 235 HG1 THR 28 HG1 THR 28 6.293 21.183 8.090 236 HG21 THR 28 3HG2 THR 28 8.237 21.071 5.346 237 HG22 THR 28 1HG2 THR 28 6.741 21.699 6.034 238 HG23 THR 28 2HG2 THR 28 6.734 20.167 5.161 239 H SER 29 H SER 29 7.270 17.423 4.656 240 HA SER 29 HA SER 29 5.493 16.373 3.699 241 HB2 SER 29 2HB SER 29 5.665 15.189 6.060 242 HB3 SER 29 3HB SER 29 4.132 16.016 6.337 243 HG SER 29 HG SER 29 4.770 14.064 4.404 244 H VAL 30 H VAL 30 5.347 19.025 3.520 245 HA VAL 30 HA VAL 30 2.533 19.664 4.130 246 HB VAL 30 HB VAL 30 4.855 21.577 3.849 247 HG11 VAL 30 1HG1 VAL 30 1.970 21.955 3.693 248 HG12 VAL 30 2HG1 VAL 30 2.741 22.972 4.912 249 HG13 VAL 30 3HG1 VAL 30 3.282 23.040 3.235 250 HG21 VAL 30 3HG2 VAL 30 4.635 21.986 6.184 251 HG22 VAL 30 1HG2 VAL 30 3.168 21.013 6.279 252 HG23 VAL 30 2HG2 VAL 30 4.722 20.238 5.971 253 H THR 31 H THR 31 1.319 19.547 2.369 254 HA THR 31 HA THR 31 2.409 19.658 -0.273 255 HB THR 31 HB THR 31 0.486 18.234 0.189 256 HG1 THR 31 HG1 THR 31 -0.626 20.204 -1.465 257 HG21 THR 31 3HG2 THR 31 -1.481 18.921 1.100 258 HG22 THR 31 1HG2 THR 31 -1.396 20.516 0.353 259 HG23 THR 31 2HG2 THR 31 -0.444 20.166 1.796 260 H GLY 32 H GLY 32 1.451 21.110 -1.967 261 HA2 GLY 32 2HA GLY 32 1.139 23.839 -0.875 262 HA3 GLY 32 3HA GLY 32 2.019 23.484 -2.354 263 H VAL 33 H VAL 33 -1.070 22.095 -1.367 264 HA VAL 33 HA VAL 33 -2.527 23.771 -3.240 265 HB VAL 33 HB VAL 33 -2.363 20.776 -3.604 266 HG11 VAL 33 1HG1 VAL 33 -4.436 22.672 -4.277 267 HG12 VAL 33 2HG1 VAL 33 -3.783 21.893 -5.720 268 HG13 VAL 33 3HG1 VAL 33 -4.434 20.913 -4.406 269 HG21 VAL 33 3HG2 VAL 33 -1.555 21.399 -5.874 270 HG22 VAL 33 1HG2 VAL 33 -1.490 23.079 -5.342 271 HG23 VAL 33 2HG2 VAL 33 -0.459 21.871 -4.576 272 H GLU 34 H GLU 34 -3.211 20.558 -1.886 273 HA GLU 34 HA GLU 34 -4.688 21.360 0.334 274 HB2 GLU 34 2HB GLU 34 -7.011 20.873 -0.604 275 HB3 GLU 34 3HB GLU 34 -6.295 22.425 -1.017 276 HG2 GLU 34 2HG GLU 34 -6.198 21.948 -3.204 277 HG3 GLU 34 3HG GLU 34 -5.744 20.268 -2.925 278 H GLY 35 H GLY 35 -2.907 19.279 -0.523 279 HA2 GLY 35 2HA GLY 35 -2.711 17.089 0.301 280 HA3 GLY 35 3HA GLY 35 -4.462 17.000 0.419 281 H VAL 36 H VAL 36 -2.331 17.776 -2.321 282 HA VAL 36 HA VAL 36 -3.830 15.912 -3.977 283 HB VAL 36 HB VAL 36 -1.565 17.757 -4.748 284 HG11 VAL 36 1HG1 VAL 36 -1.766 15.958 -6.322 285 HG12 VAL 36 2HG1 VAL 36 -3.518 16.161 -6.399 286 HG13 VAL 36 3HG1 VAL 36 -2.454 17.411 -7.046 287 HG21 VAL 36 3HG2 VAL 36 -3.583 18.920 -3.872 288 HG22 VAL 36 1HG2 VAL 36 -3.236 19.276 -5.564 289 HG23 VAL 36 2HG2 VAL 36 -4.528 18.150 -5.147 290 H ASP 37 H ASP 37 -0.896 16.023 -2.222 291 HA ASP 37 HA ASP 37 0.762 14.347 -3.707 292 HB2 ASP 37 2HB ASP 37 1.303 15.658 -1.575 293 HB3 ASP 37 3HB ASP 37 0.618 14.293 -0.697 294 H GLY 38 H GLY 38 -2.098 13.638 -1.912 295 HA2 GLY 38 2HA GLY 38 -1.535 10.798 -1.711 296 HA3 GLY 38 3HA GLY 38 -3.006 11.611 -1.196 297 H ARG 39 H ARG 39 -2.942 12.913 -4.004 298 HA ARG 39 HA ARG 39 -4.140 10.613 -5.406 299 HB2 ARG 39 2HB ARG 39 -5.549 12.375 -6.573 300 HB3 ARG 39 3HB ARG 39 -5.915 12.082 -4.878 301 HG2 ARG 39 2HG ARG 39 -4.530 14.068 -4.303 302 HG3 ARG 39 3HG ARG 39 -4.371 14.392 -6.030 303 HD2 ARG 39 2HD ARG 39 -6.172 15.698 -4.908 304 HD3 ARG 39 3HD ARG 39 -6.729 14.709 -6.257 305 HE ARG 39 HE ARG 39 -6.973 13.343 -3.768 306 HH11 ARG 39 1HH1 ARG 39 -8.460 15.751 -5.796 307 HH12 ARG 39 2HH1 ARG 39 -10.050 15.494 -5.159 308 HH21 ARG 39 1HH2 ARG 39 -9.062 12.995 -2.921 309 HH22 ARG 39 2HH2 ARG 39 -10.392 13.927 -3.523 310 H SER 40 H SER 40 -1.364 11.521 -5.508 311 HA SER 40 HA SER 40 0.281 11.769 -7.061 312 HB2 SER 40 2HB SER 40 -1.960 10.670 -8.538 313 HB3 SER 40 3HB SER 40 -0.981 11.722 -9.559 314 HG SER 40 HG SER 40 0.470 10.217 -9.602 315 H SER 41 H SER 41 1.225 13.347 -8.437 316 HA SER 41 HA SER 41 0.100 15.961 -8.087 317 HB2 SER 41 2HB SER 41 2.535 15.546 -7.938 318 HB3 SER 41 3HB SER 41 2.555 15.116 -9.648 319 HG SER 41 HG SER 41 3.149 17.283 -9.366 320 H GLU 42 H GLU 42 0.001 13.572 -10.538 321 HA GLU 42 HA GLU 42 -0.285 15.114 -12.847 322 HB2 GLU 42 2HB GLU 42 -1.342 13.184 -13.840 323 HB3 GLU 42 3HB GLU 42 -0.023 12.646 -12.809 324 HG2 GLU 42 2HG GLU 42 -1.518 11.196 -12.013 325 HG3 GLU 42 3HG GLU 42 -2.110 12.568 -11.078 326 H THR 43 H THR 43 -2.416 14.655 -10.186 327 HA THR 43 HA THR 43 -4.877 15.222 -11.459 328 HB THR 43 HB THR 43 -4.066 15.651 -8.577 329 HG1 THR 43 HG1 THR 43 -4.067 13.443 -9.546 330 HG21 THR 43 3HG2 THR 43 -6.685 15.304 -8.404 331 HG22 THR 43 1HG2 THR 43 -6.644 15.990 -10.028 332 HG23 THR 43 2HG2 THR 43 -5.985 16.900 -8.668 333 H GLY 44 H GLY 44 -2.660 17.303 -9.593 334 HA2 GLY 44 2HA GLY 44 -3.597 19.590 -11.167 335 HA3 GLY 44 3HA GLY 44 -3.743 19.683 -9.418 336 H THR 45 H THR 45 -1.855 19.789 -8.140 337 HA THR 45 HA THR 45 0.733 19.938 -9.405 338 HB THR 45 HB THR 45 1.040 22.311 -8.318 339 HG1 THR 45 HG1 THR 45 -1.744 22.289 -8.945 340 HG21 THR 45 3HG2 THR 45 -0.504 22.631 -10.789 341 HG22 THR 45 1HG2 THR 45 0.754 21.399 -10.880 342 HG23 THR 45 2HG2 THR 45 1.172 23.054 -10.437 343 H SER 46 H SER 46 0.438 18.121 -7.689 344 HA SER 46 HA SER 46 0.495 18.791 -4.943 345 HB2 SER 46 2HB SER 46 -0.101 16.566 -5.402 346 HB3 SER 46 3HB SER 46 1.257 16.334 -6.504 347 HG SER 46 HG SER 46 2.251 15.546 -4.839 348 H THR 47 H THR 47 2.008 20.122 -4.165 349 HA THR 47 HA THR 47 4.824 19.544 -4.823 350 HB THR 47 HB THR 47 5.378 21.849 -4.614 351 HG1 THR 47 HG1 THR 47 2.874 21.996 -3.381 352 HG21 THR 47 3HG2 THR 47 4.464 22.609 -6.554 353 HG22 THR 47 1HG2 THR 47 2.817 22.221 -6.059 354 HG23 THR 47 2HG2 THR 47 3.886 20.946 -6.646 355 H VAL 48 H VAL 48 6.061 18.930 -3.178 356 HA VAL 48 HA VAL 48 5.015 19.184 -0.457 357 HB VAL 48 HB VAL 48 7.362 17.568 -1.462 358 HG11 VAL 48 1HG1 VAL 48 5.994 17.698 1.218 359 HG12 VAL 48 2HG1 VAL 48 7.099 16.407 0.743 360 HG13 VAL 48 3HG1 VAL 48 7.677 18.070 0.847 361 HG21 VAL 48 3HG2 VAL 48 4.493 16.837 -0.926 362 HG22 VAL 48 1HG2 VAL 48 5.415 16.627 -2.415 363 HG23 VAL 48 2HG2 VAL 48 5.785 15.639 -1.002 364 H THR 49 H THR 49 5.619 20.936 0.626 365 HA THR 49 HA THR 49 8.106 22.293 0.001 366 HB THR 49 HB THR 49 6.117 23.036 2.148 367 HG1 THR 49 HG1 THR 49 5.281 24.459 0.478 368 HG21 THR 49 3HG2 THR 49 7.530 25.145 0.715 369 HG22 THR 49 1HG2 THR 49 8.616 24.052 1.572 370 HG23 THR 49 2HG2 THR 49 7.337 24.892 2.449 371 H VAL 50 H VAL 50 9.952 22.008 1.061 372 HA VAL 50 HA VAL 50 9.861 20.724 3.715 373 HB VAL 50 HB VAL 50 11.912 19.613 3.272 374 HG11 VAL 50 1HG1 VAL 50 9.816 18.686 2.232 375 HG12 VAL 50 2HG1 VAL 50 10.358 19.382 0.703 376 HG13 VAL 50 3HG1 VAL 50 11.326 18.143 1.501 377 HG21 VAL 50 3HG2 VAL 50 12.104 21.538 1.012 378 HG22 VAL 50 1HG2 VAL 50 13.333 21.023 2.166 379 HG23 VAL 50 2HG2 VAL 50 12.872 19.960 0.837 380 H LEU 51 H LEU 51 11.291 21.448 5.304 381 HA LEU 51 HA LEU 51 12.834 23.869 4.702 382 HB2 LEU 51 2HB LEU 51 10.455 24.162 5.813 383 HB3 LEU 51 3HB LEU 51 11.343 23.736 7.274 384 HG LEU 51 HG LEU 51 12.327 25.954 5.525 385 HD11 LEU 51 1HD1 LEU 51 10.917 27.541 6.487 386 HD12 LEU 51 2HD1 LEU 51 10.373 26.433 7.746 387 HD13 LEU 51 3HD1 LEU 51 9.837 26.207 6.082 388 HD21 LEU 51 3HD2 LEU 51 13.078 26.800 7.753 389 HD22 LEU 51 1HD2 LEU 51 13.802 25.266 7.271 390 HD23 LEU 51 2HD2 LEU 51 12.499 25.291 8.459 391 H THR 52 H THR 52 14.863 23.325 5.143 392 HA THR 52 HA THR 52 15.623 21.249 6.905 393 HB THR 52 HB THR 52 17.855 21.781 6.414 394 HG1 THR 52 HG1 THR 52 17.222 24.345 5.420 395 HG21 THR 52 3HG2 THR 52 16.206 21.341 4.410 396 HG22 THR 52 1HG2 THR 52 17.895 21.750 4.113 397 HG23 THR 52 2HG2 THR 52 16.649 22.989 3.967 398 H TYR 53 H TYR 53 17.690 22.139 8.420 399 HA TYR 53 HA TYR 53 16.306 23.742 10.454 400 HB2 TYR 53 2HB TYR 53 17.969 21.385 10.552 401 HB3 TYR 53 3HB TYR 53 18.652 22.656 11.560 402 HD1 TYR 53 HD1 TYR 53 15.156 21.538 10.830 403 HD2 TYR 53 HD2 TYR 53 18.125 22.318 13.776 404 HE1 TYR 53 HE1 TYR 53 13.533 21.000 12.598 405 HE2 TYR 53 HE2 TYR 53 16.511 21.780 15.553 406 HH TYR 53 HH TYR 53 13.485 20.307 14.904 407 HA PRO 54 HA PRO 54 19.053 27.135 9.961 408 HB2 PRO 54 2HB PRO 54 19.046 28.133 12.486 409 HB3 PRO 54 3HB PRO 54 17.669 28.287 11.389 410 HG2 PRO 54 2HG PRO 54 18.112 26.328 13.609 411 HG3 PRO 54 3HG PRO 54 16.641 27.221 13.182 412 HD2 PRO 54 2HD PRO 54 17.024 24.631 12.493 413 HD3 PRO 54 3HD PRO 54 16.094 25.760 11.486 414 H GLY 55 H GLY 55 21.206 27.502 10.029 415 HA2 GLY 55 2HA GLY 55 22.822 25.662 11.638 416 HA3 GLY 55 3HA GLY 55 23.382 26.589 10.254 417 H THR 56 H THR 56 25.117 27.576 11.185 418 HA THR 56 HA THR 56 24.693 29.109 13.645 419 HB THR 56 HB THR 56 26.663 27.627 13.567 420 HG1 THR 56 HG1 THR 56 26.636 29.753 14.686 421 HG21 THR 56 3HG2 THR 56 27.709 29.479 11.426 422 HG22 THR 56 1HG2 THR 56 27.066 27.868 11.113 423 HG23 THR 56 2HG2 THR 56 28.516 28.063 12.099 424 H GLN 57 H GLN 57 25.481 29.484 10.250 425 HA GLN 57 HA GLN 57 25.334 32.406 10.600 426 HB2 GLN 57 2HB GLN 57 27.334 30.758 9.269 427 HB3 GLN 57 3HB GLN 57 26.671 31.991 8.205 428 HG2 GLN 57 2HG GLN 57 27.263 33.114 10.779 429 HG3 GLN 57 3HG GLN 57 28.676 32.287 10.125 430 HE21 GLN 57 1HE2 GLN 57 28.635 32.713 7.529 431 HE22 GLN 57 2HE2 GLN 57 28.664 34.398 7.150 432 H ASN 58 H ASN 58 24.456 29.615 8.681 433 HA ASN 58 HA ASN 58 22.800 31.292 6.936 434 HB2 ASN 58 2HB ASN 58 24.425 29.148 6.350 435 HB3 ASN 58 3HB ASN 58 22.827 28.410 6.398 436 HD21 ASN 58 1HD2 ASN 58 21.312 28.957 4.867 437 HD22 ASN 58 2HD2 ASN 58 21.701 29.862 3.447 438 H LYS 59 H LYS 59 20.593 31.008 6.749 439 HA LYS 59 HA LYS 59 19.346 29.510 8.950 440 HB2 LYS 59 2HB LYS 59 18.003 31.622 7.275 441 HB3 LYS 59 3HB LYS 59 17.524 31.019 8.856 442 HG2 LYS 59 2HG LYS 59 19.971 32.674 8.270 443 HG3 LYS 59 3HG LYS 59 18.473 33.255 9.002 444 HD2 LYS 59 2HD LYS 59 20.226 31.094 10.169 445 HD3 LYS 59 3HD LYS 59 20.274 32.792 10.651 446 HE2 LYS 59 2HE LYS 59 17.578 32.043 10.767 447 HE3 LYS 59 3HE LYS 59 18.475 30.702 11.479 448 HZ1 LYS 59 3HZ LYS 59 18.647 33.553 12.293 449 HZ2 LYS 59 1HZ LYS 59 19.584 32.303 12.942 450 HZ3 LYS 59 2HZ LYS 59 17.907 32.305 13.163 451 H ALA 60 H ALA 60 17.546 28.188 8.571 452 HA ALA 60 HA ALA 60 17.608 26.696 6.177 453 HB1 ALA 60 1HB ALA 60 15.319 26.716 8.124 454 HB2 ALA 60 2HB ALA 60 15.873 25.393 7.097 455 HB3 ALA 60 3HB ALA 60 16.852 25.915 8.468 456 H THR 61 H THR 61 16.346 26.716 4.377 457 HA THR 61 HA THR 61 14.512 29.002 4.097 458 HB THR 61 HB THR 61 15.472 27.564 1.681 459 HG1 THR 61 HG1 THR 61 17.116 29.101 3.401 460 HG21 THR 61 3HG2 THR 61 14.504 29.361 0.788 461 HG22 THR 61 1HG2 THR 61 15.789 30.346 1.485 462 HG23 THR 61 2HG2 THR 61 14.290 30.092 2.378 463 H TYR 62 H TYR 62 12.687 28.657 2.560 464 HA TYR 62 HA TYR 62 11.641 25.910 2.778 465 HB2 TYR 62 2HB TYR 62 9.390 26.878 2.983 466 HB3 TYR 62 3HB TYR 62 10.445 27.424 4.282 467 HD1 TYR 62 HD1 TYR 62 11.418 29.741 4.168 468 HD2 TYR 62 HD2 TYR 62 8.365 28.420 1.515 469 HE1 TYR 62 HE1 TYR 62 10.893 32.080 3.617 470 HE2 TYR 62 HE2 TYR 62 7.832 30.755 0.956 471 HH TYR 62 HH TYR 62 8.687 33.308 2.722 472 H LYS 63 H LYS 63 11.239 24.950 0.907 473 HA LYS 63 HA LYS 63 10.416 26.560 -1.398 474 HB2 LYS 63 2HB LYS 63 12.876 26.198 -1.537 475 HB3 LYS 63 3HB LYS 63 12.590 24.462 -1.531 476 HG2 LYS 63 2HG LYS 63 11.590 24.504 -3.647 477 HG3 LYS 63 3HG LYS 63 11.366 26.254 -3.600 478 HD2 LYS 63 2HD LYS 63 13.993 26.249 -3.408 479 HD3 LYS 63 3HD LYS 63 13.823 24.662 -4.161 480 HE2 LYS 63 2HE LYS 63 12.604 25.647 -6.015 481 HE3 LYS 63 3HE LYS 63 12.672 27.232 -5.246 482 HZ1 LYS 63 3HZ LYS 63 15.234 25.939 -5.630 483 HZ2 LYS 63 1HZ LYS 63 14.780 27.547 -5.897 484 HZ3 LYS 63 2HZ LYS 63 14.434 26.367 -7.058 485 H ASN 64 H ASN 64 9.029 25.539 -2.802 486 HA ASN 64 HA ASN 64 7.968 22.973 -1.865 487 HB2 ASN 64 2HB ASN 64 5.966 23.521 -3.150 488 HB3 ASN 64 3HB ASN 64 6.382 24.854 -2.076 489 HD21 ASN 64 1HD2 ASN 64 5.348 24.139 -5.075 490 HD22 ASN 64 2HD2 ASN 64 5.895 25.538 -5.927 491 H VAL 65 H VAL 65 8.322 21.159 -2.958 492 HA VAL 65 HA VAL 65 8.725 21.222 -5.839 493 HB VAL 65 HB VAL 65 10.769 19.821 -5.701 494 HG11 VAL 65 1HG1 VAL 65 12.310 21.666 -5.100 495 HG12 VAL 65 2HG1 VAL 65 11.001 22.173 -6.170 496 HG13 VAL 65 3HG1 VAL 65 10.935 22.559 -4.450 497 HG21 VAL 65 3HG2 VAL 65 10.448 20.394 -2.775 498 HG22 VAL 65 1HG2 VAL 65 10.735 18.851 -3.581 499 HG23 VAL 65 2HG2 VAL 65 12.031 20.043 -3.470 500 H ASP 66 H ASP 66 8.557 19.132 -6.834 501 HA ASP 66 HA ASP 66 6.524 17.528 -5.809 502 HB2 ASP 66 2HB ASP 66 7.258 17.672 -8.213 503 HB3 ASP 66 3HB ASP 66 8.619 16.634 -7.795 504 H SER 67 H SER 67 9.992 17.326 -5.422 505 HA SER 67 HA SER 67 9.874 15.760 -3.112 506 HB2 SER 67 2HB SER 67 9.537 14.215 -5.457 507 HB3 SER 67 3HB SER 67 11.173 13.899 -4.878 508 HG SER 67 HG SER 67 10.263 12.663 -3.457 509 H HIS 68 H HIS 68 11.741 16.560 -5.995 510 HA HIS 68 HA HIS 68 13.871 17.309 -6.275 511 HB2 HIS 68 2HB HIS 68 13.030 18.334 -3.746 512 HB3 HIS 68 3HB HIS 68 14.723 17.866 -3.617 513 HD1 HIS 68 HD1 HIS 68 13.139 19.322 -6.721 514 HD2 HIS 68 HD2 HIS 68 15.819 20.382 -3.728 515 HE1 HIS 68 HE1 HIS 68 14.130 21.514 -7.452 516 H SER 69 H SER 69 13.235 14.491 -5.463 517 HA SER 69 HA SER 69 15.356 13.505 -3.864 518 HB2 SER 69 2HB SER 69 13.414 12.136 -4.093 519 HB3 SER 69 3HB SER 69 13.516 12.169 -5.853 520 HG SER 69 HG SER 69 14.521 10.337 -5.522 521 H SER 70 H SER 70 15.115 14.401 -7.188 522 HA SER 70 HA SER 70 17.378 12.883 -8.089 523 HB2 SER 70 2HB SER 70 15.358 14.567 -9.276 524 HB3 SER 70 3HB SER 70 16.955 15.030 -9.863 525 HG SER 70 HG SER 70 16.545 13.407 -11.177 526 H ALA 71 H ALA 71 17.096 15.544 -6.139 527 HA ALA 71 HA ALA 71 19.744 16.565 -6.937 528 HB1 ALA 71 1HB ALA 71 17.344 17.968 -6.620 529 HB2 ALA 71 2HB ALA 71 18.326 18.375 -5.212 530 HB3 ALA 71 3HB ALA 71 18.961 18.640 -6.836 531 H ILE 72 H ILE 72 17.820 15.209 -4.416 532 HA ILE 72 HA ILE 72 20.075 15.511 -2.540 533 HB ILE 72 HB ILE 72 18.452 15.274 -0.701 534 HG12 ILE 72 2HG1 ILE 72 16.014 15.934 -1.882 535 HG13 ILE 72 3HG1 ILE 72 16.672 14.674 -2.920 536 HG21 ILE 72 1HG2 ILE 72 17.232 17.525 -2.089 537 HG22 ILE 72 2HG2 ILE 72 18.214 17.493 -0.625 538 HG23 ILE 72 3HG2 ILE 72 18.991 17.505 -2.208 539 HD11 ILE 72 3HD1 ILE 72 15.174 13.989 -0.963 540 HD12 ILE 72 1HD1 ILE 72 16.679 13.103 -1.211 541 HD13 ILE 72 2HD1 ILE 72 16.577 14.334 0.049 542 H THR 73 H THR 73 20.860 13.719 -1.544 543 HA THR 73 HA THR 73 19.936 11.151 -2.574 544 HB THR 73 HB THR 73 22.043 10.438 -1.091 545 HG1 THR 73 HG1 THR 73 23.351 12.059 -0.640 546 HG21 THR 73 3HG2 THR 73 23.402 10.589 -3.089 547 HG22 THR 73 1HG2 THR 73 22.317 11.799 -3.774 548 HG23 THR 73 2HG2 THR 73 21.755 10.144 -3.535 549 H PHE 74 H PHE 74 20.202 9.285 -0.894 550 HA PHE 74 HA PHE 74 18.741 10.083 1.536 551 HB2 PHE 74 2HB PHE 74 17.589 8.599 -0.233 552 HB3 PHE 74 3HB PHE 74 18.658 7.323 0.341 553 HD1 PHE 74 HD2 PHE 74 18.471 6.500 2.654 554 HD2 PHE 74 HD1 PHE 74 15.718 9.318 1.042 555 HE1 PHE 74 HE2 PHE 74 16.899 6.004 4.481 556 HE2 PHE 74 HE1 PHE 74 14.142 8.827 2.867 557 HZ PHE 74 HZ PHE 74 14.731 7.167 4.589 558 H PHE 75 H PHE 75 20.758 10.439 2.624 559 HA PHE 75 HA PHE 75 21.620 8.243 4.150 560 HB2 PHE 75 2HB PHE 75 22.817 8.196 1.688 561 HB3 PHE 75 3HB PHE 75 23.991 9.100 2.638 562 HD1 PHE 75 HD1 PHE 75 21.823 6.103 3.163 563 HD2 PHE 75 HD2 PHE 75 25.701 7.833 3.469 564 HE1 PHE 75 HE1 PHE 75 22.687 3.995 4.092 565 HE2 PHE 75 HE2 PHE 75 26.570 5.727 4.398 566 HZ PHE 75 HZ PHE 75 25.064 3.804 4.710 567 H GLU 76 H GLU 76 24.097 8.988 4.987 568 HA GLU 76 HA GLU 76 23.684 11.757 5.911 569 HB2 GLU 76 2HB GLU 76 25.067 10.957 7.930 570 HB3 GLU 76 3HB GLU 76 23.388 10.447 7.824 571 HG2 GLU 76 2HG GLU 76 23.927 8.290 7.665 572 HG3 GLU 76 3HG GLU 76 25.250 8.603 6.544 573 HA PRO 77 HA PRO 77 27.638 12.878 4.378 574 HB2 PRO 77 2HB PRO 77 28.483 14.640 6.264 575 HB3 PRO 77 3HB PRO 77 27.196 15.011 5.110 576 HG2 PRO 77 2HG PRO 77 26.986 14.129 7.963 577 HG3 PRO 77 3HG PRO 77 26.068 15.383 7.109 578 HD2 PRO 77 2HD PRO 77 25.071 12.909 7.573 579 HD3 PRO 77 3HD PRO 77 24.647 13.854 6.131 580 H SER 78 H SER 78 29.988 13.378 5.362 581 HA SER 78 HA SER 78 30.712 10.952 6.850 582 HB2 SER 78 2HB SER 78 31.995 12.516 4.697 583 HB3 SER 78 3HB SER 78 33.087 11.921 5.947 584 HG SER 78 HG SER 78 31.916 10.569 3.944 585 H SER 79 H SER 79 30.431 14.302 7.184 586 HA SER 79 HA SER 79 30.878 15.712 8.917 587 HB2 SER 79 2HB SER 79 30.992 13.089 10.104 588 HB3 SER 79 3HB SER 79 32.206 14.133 10.843 589 HG SER 79 HG SER 79 30.675 15.263 11.747 590 H GLU 80 H GLU 80 33.546 13.427 9.430 591 HA GLU 80 HA GLU 80 35.519 15.386 9.670 592 HB2 GLU 80 2HB GLU 80 35.710 13.003 10.412 593 HB3 GLU 80 3HB GLU 80 35.930 12.544 8.729 594 HG2 GLU 80 2HG GLU 80 37.920 14.068 8.675 595 HG3 GLU 80 3HG GLU 80 37.745 14.238 10.421 596 H LYS 81 H LYS 81 34.379 13.608 6.849 597 HA LYS 81 HA LYS 81 36.387 14.611 5.082 598 HB2 LYS 81 2HB LYS 81 34.819 12.510 4.880 599 HB3 LYS 81 3HB LYS 81 33.723 13.650 4.111 600 HG2 LYS 81 2HG LYS 81 35.728 14.242 2.613 601 HG3 LYS 81 3HG LYS 81 36.422 12.730 3.203 602 HD2 LYS 81 2HD LYS 81 34.252 11.624 2.488 603 HD3 LYS 81 3HD LYS 81 33.877 13.130 1.646 604 HE2 LYS 81 2HE LYS 81 35.230 12.611 -0.045 605 HE3 LYS 81 3HE LYS 81 36.557 12.226 1.050 606 HZ1 LYS 81 3HZ LYS 81 35.246 10.058 1.426 607 HZ2 LYS 81 1HZ LYS 81 36.151 10.227 0.006 608 HZ3 LYS 81 2HZ LYS 81 34.475 10.445 -0.029 609 H ALA 82 H ALA 82 33.583 15.946 6.435 610 HA ALA 82 HA ALA 82 33.297 17.910 4.272 611 HB1 ALA 82 1HB ALA 82 31.485 16.788 6.285 612 HB2 ALA 82 2HB ALA 82 31.330 18.529 6.045 613 HB3 ALA 82 3HB ALA 82 31.143 17.430 4.678 614 H VAL 83 H VAL 83 34.647 17.508 7.369 615 HA VAL 83 HA VAL 83 34.467 20.224 8.253 616 HB VAL 83 HB VAL 83 36.278 17.976 9.142 617 HG11 VAL 83 1HG1 VAL 83 35.965 20.790 10.119 618 HG12 VAL 83 2HG1 VAL 83 36.461 19.500 11.216 619 HG13 VAL 83 3HG1 VAL 83 37.441 19.880 9.799 620 HG21 VAL 83 3HG2 VAL 83 34.315 18.896 11.044 621 HG22 VAL 83 1HG2 VAL 83 33.549 18.388 9.539 622 HG23 VAL 83 2HG2 VAL 83 34.595 17.272 10.417 623 H THR 84 H THR 84 35.735 21.902 7.777 624 HA THR 84 HA THR 84 38.470 21.601 6.966 625 HB THR 84 HB THR 84 36.704 22.886 4.900 626 HG1 THR 84 HG1 THR 84 36.670 20.919 3.801 627 HG21 THR 84 3HG2 THR 84 38.929 23.491 4.551 628 HG22 THR 84 1HG2 THR 84 38.722 22.101 3.486 629 HG23 THR 84 2HG2 THR 84 39.537 21.910 5.039 630 H ALA 85 H ALA 85 35.781 23.913 6.543 631 HA ALA 85 HA ALA 85 36.638 25.716 8.503 632 HB1 ALA 85 1HB ALA 85 38.554 26.285 7.320 633 HB2 ALA 85 2HB ALA 85 37.736 26.200 5.760 634 HB3 ALA 85 3HB ALA 85 37.409 27.543 6.855 635 H ASN 86 H ASN 86 34.233 24.568 7.364 636 HA ASN 86 HA ASN 86 32.848 26.962 6.367 637 HB2 ASN 86 2HB ASN 86 32.277 24.019 6.123 638 HB3 ASN 86 3HB ASN 86 31.005 25.210 5.867 639 HD21 ASN 86 1HD2 ASN 86 30.785 26.007 3.902 640 HD22 ASN 86 2HD2 ASN 86 31.958 25.918 2.637 641 H GLU 87 H GLU 87 32.160 28.097 8.091 642 HA GLU 87 HA GLU 87 31.472 27.104 10.595 643 HB2 GLU 87 2HB GLU 87 30.246 29.264 10.893 644 HB3 GLU 87 3HB GLU 87 31.897 29.446 10.317 645 HG2 GLU 87 2HG GLU 87 30.870 29.547 7.977 646 HG3 GLU 87 3HG GLU 87 29.337 29.804 8.808 647 H ASP 88 H ASP 88 29.391 27.812 7.809 648 HA ASP 88 HA ASP 88 26.956 27.125 9.062 649 HB2 ASP 88 2HB ASP 88 26.165 26.836 6.641 650 HB3 ASP 88 3HB ASP 88 26.777 28.422 7.103 651 H LEU 89 H LEU 89 29.233 25.260 7.096 652 HA LEU 89 HA LEU 89 27.733 22.907 6.887 653 HB2 LEU 89 2HB LEU 89 29.886 23.564 5.685 654 HB3 LEU 89 3HB LEU 89 30.727 22.981 7.119 655 HG LEU 89 HG LEU 89 29.848 20.743 6.749 656 HD11 LEU 89 1HD1 LEU 89 28.468 21.998 4.385 657 HD12 LEU 89 2HD1 LEU 89 27.718 21.213 5.774 658 HD13 LEU 89 3HD1 LEU 89 28.649 20.259 4.619 659 HD21 LEU 89 3HD2 LEU 89 31.193 20.164 4.902 660 HD22 LEU 89 1HD2 LEU 89 31.946 21.593 5.610 661 HD23 LEU 89 2HD2 LEU 89 30.974 21.743 4.146 662 H LEU 90 H LEU 90 29.837 24.099 9.434 663 HA LEU 90 HA LEU 90 30.099 21.747 10.927 664 HB2 LEU 90 2HB LEU 90 31.486 23.609 11.430 665 HB3 LEU 90 3HB LEU 90 30.092 24.644 11.734 666 HG LEU 90 HG LEU 90 29.585 23.305 13.752 667 HD11 LEU 90 1HD1 LEU 90 31.914 21.762 12.754 668 HD12 LEU 90 2HD1 LEU 90 30.449 21.209 13.564 669 HD13 LEU 90 3HD1 LEU 90 31.741 21.963 14.498 670 HD21 LEU 90 3HD2 LEU 90 30.989 24.525 15.060 671 HD22 LEU 90 1HD2 LEU 90 31.268 25.347 13.525 672 HD23 LEU 90 2HD2 LEU 90 32.413 24.132 14.095 673 H GLN 91 H GLN 91 27.722 24.380 11.236 674 HA GLN 91 HA GLN 91 26.249 23.179 13.323 675 HB2 GLN 91 2HB GLN 91 26.195 25.606 11.961 676 HB3 GLN 91 3HB GLN 91 24.643 24.869 11.587 677 HG2 GLN 91 2HG GLN 91 25.572 24.908 14.413 678 HG3 GLN 91 3HG GLN 91 24.949 26.392 13.693 679 HE21 GLN 91 1HE2 GLN 91 24.132 22.948 13.942 680 HE22 GLN 91 2HE2 GLN 91 22.438 23.191 14.178 681 H ALA 92 H ALA 92 25.958 23.052 9.811 682 HA ALA 92 HA ALA 92 23.486 21.727 9.667 683 HB1 ALA 92 1HB ALA 92 24.949 20.840 7.478 684 HB2 ALA 92 2HB ALA 92 23.895 22.253 7.545 685 HB3 ALA 92 3HB ALA 92 25.623 22.427 7.852 686 H ILE 93 H ILE 93 26.784 20.512 9.992 687 HA ILE 93 HA ILE 93 26.268 17.792 9.583 688 HB ILE 93 HB ILE 93 28.364 19.135 11.288 689 HG12 ILE 93 2HG1 ILE 93 28.976 17.683 8.766 690 HG13 ILE 93 3HG1 ILE 93 28.142 19.227 8.617 691 HG21 ILE 93 1HG2 ILE 93 28.099 16.931 12.160 692 HG22 ILE 93 2HG2 ILE 93 28.048 16.236 10.542 693 HG23 ILE 93 3HG2 ILE 93 29.547 16.934 11.154 694 HD11 ILE 93 3HD1 ILE 93 30.129 20.192 8.717 695 HD12 ILE 93 1HD1 ILE 93 30.206 19.709 10.411 696 HD13 ILE 93 2HD1 ILE 93 30.912 18.677 9.167 697 H ARG 94 H ARG 94 25.998 19.796 12.469 698 HA ARG 94 HA ARG 94 25.560 17.688 14.304 699 HB2 ARG 94 2HB ARG 94 26.223 19.960 14.991 700 HB3 ARG 94 3HB ARG 94 24.662 20.570 14.460 701 HG2 ARG 94 2HG ARG 94 23.561 19.138 16.135 702 HG3 ARG 94 3HG ARG 94 25.150 18.614 16.695 703 HD2 ARG 94 2HD ARG 94 25.647 21.098 17.038 704 HD3 ARG 94 3HD ARG 94 23.911 21.345 16.857 705 HE ARG 94 HE ARG 94 24.474 19.340 18.791 706 HH11 ARG 94 1HH1 ARG 94 24.443 22.785 18.292 707 HH12 ARG 94 2HH1 ARG 94 24.186 23.156 19.964 708 HH21 ARG 94 1HH2 ARG 94 24.136 19.816 20.996 709 HH22 ARG 94 2HH2 ARG 94 24.012 21.466 21.502 710 H ASN 95 H ASN 95 23.318 19.833 12.566 711 HA ASN 95 HA ASN 95 20.937 18.831 13.613 712 HB2 ASN 95 2HB ASN 95 21.453 19.959 10.852 713 HB3 ASN 95 3HB ASN 95 19.865 19.758 11.587 714 HD21 ASN 95 1HD2 ASN 95 21.605 22.107 10.704 715 HD22 ASN 95 2HD2 ASN 95 21.520 23.197 12.041 716 H ALA 96 H ALA 96 22.431 18.002 10.479 717 HA ALA 96 HA ALA 96 20.753 16.008 9.659 718 HB1 ALA 96 1HB ALA 96 23.193 16.976 8.832 719 HB2 ALA 96 2HB ALA 96 23.534 15.285 9.202 720 HB3 ALA 96 3HB ALA 96 22.265 15.696 8.048 721 H GLU 97 H GLU 97 23.268 15.819 12.104 722 HA GLU 97 HA GLU 97 23.200 12.984 12.382 723 HB2 GLU 97 2HB GLU 97 25.167 14.102 13.118 724 HB3 GLU 97 3HB GLU 97 24.247 15.197 14.140 725 HG2 GLU 97 2HG GLU 97 25.385 13.552 15.485 726 HG3 GLU 97 3HG GLU 97 23.640 13.325 15.593 727 H GLU 98 H GLU 98 21.669 15.666 14.118 728 HA GLU 98 HA GLU 98 20.396 14.038 16.065 729 HB2 GLU 98 2HB GLU 98 19.646 15.985 16.938 730 HB3 GLU 98 3HB GLU 98 20.811 16.698 15.831 731 HG2 GLU 98 2HG GLU 98 18.979 16.916 14.156 732 HG3 GLU 98 3HG GLU 98 17.852 16.381 15.402 733 H ASP 99 H ASP 99 19.485 15.199 12.882 734 HA ASP 99 HA ASP 99 16.774 14.210 13.119 735 HB2 ASP 99 2HB ASP 99 18.332 15.719 11.081 736 HB3 ASP 99 3HB ASP 99 16.953 14.780 10.515 737 H LYS 100 H LYS 100 16.730 12.027 13.286 738 HA LYS 100 HA LYS 100 17.772 10.519 10.991 739 HB2 LYS 100 2HB LYS 100 18.208 9.972 13.908 740 HB3 LYS 100 3HB LYS 100 18.169 8.641 12.759 741 HG2 LYS 100 2HG LYS 100 19.895 10.269 11.505 742 HG3 LYS 100 3HG LYS 100 20.209 10.724 13.182 743 HD2 LYS 100 2HD LYS 100 20.100 7.841 12.371 744 HD3 LYS 100 3HD LYS 100 21.569 8.790 12.130 745 HE2 LYS 100 2HE LYS 100 20.799 9.374 14.728 746 HE3 LYS 100 3HE LYS 100 20.465 7.651 14.560 747 HZ1 LYS 100 3HZ LYS 100 22.838 8.584 15.230 748 HZ2 LYS 100 1HZ LYS 100 23.029 8.597 13.549 749 HZ3 LYS 100 2HZ LYS 100 22.645 7.155 14.345 750 H GLU 101 H GLU 101 15.221 11.314 10.984 751 HA GLU 101 HA GLU 101 13.054 10.625 10.863 752 HB2 GLU 101 2HB GLU 101 14.665 8.533 9.944 753 HB3 GLU 101 3HB GLU 101 13.502 7.766 11.018 754 HG2 GLU 101 2HG GLU 101 11.796 8.088 9.609 755 HG3 GLU 101 3HG GLU 101 12.335 9.706 9.164 756 H SER 102 H SER 102 14.351 10.902 13.520 757 HA SER 102 HA SER 102 12.184 10.001 15.108 758 HB2 SER 102 2HB SER 102 13.652 7.890 14.712 759 HB3 SER 102 3HB SER 102 14.760 8.644 15.857 760 HG SER 102 HG SER 102 12.051 7.928 16.300 761 H ASN 103 H ASN 103 13.359 12.467 14.688 762 HA ASN 103 HA ASN 103 15.120 13.073 16.900 763 HB2 ASN 103 2HB ASN 103 15.080 14.187 14.553 764 HB3 ASN 103 3HB ASN 103 13.747 15.138 15.201 765 HD21 ASN 103 1HD2 ASN 103 14.677 17.089 15.354 766 HD22 ASN 103 2HD2 ASN 103 16.063 17.443 16.323 767 H ALA 104 H ALA 104 14.609 14.152 18.759 768 HA ALA 104 HA ALA 104 13.349 14.926 20.489 769 HB1 ALA 104 1HB ALA 104 12.536 16.382 18.378 770 HB2 ALA 104 2HB ALA 104 11.011 15.620 18.832 771 HB3 ALA 104 3HB ALA 104 11.899 16.587 20.010 772 H LEU 105 H LEU 105 13.068 12.154 19.452 773 HA LEU 105 HA LEU 105 10.358 11.543 20.423 774 HB2 LEU 105 2HB LEU 105 11.208 10.819 18.084 775 HB3 LEU 105 3HB LEU 105 12.108 9.593 18.975 776 HG LEU 105 HG LEU 105 9.276 9.676 19.676 777 HD11 LEU 105 1HD1 LEU 105 8.487 9.962 17.602 778 HD12 LEU 105 2HD1 LEU 105 9.047 8.312 17.329 779 HD13 LEU 105 3HD1 LEU 105 10.060 9.676 16.857 780 HD21 LEU 105 3HD2 LEU 105 10.379 7.255 18.495 781 HD22 LEU 105 1HD2 LEU 105 9.671 7.519 20.089 782 HD23 LEU 105 2HD2 LEU 105 11.371 7.897 19.806 783 H ARG 106 H ARG 106 13.751 10.543 20.637 784 HA ARG 106 HA ARG 106 13.320 9.723 23.389 785 HB2 ARG 106 2HB ARG 106 14.399 7.518 23.032 786 HB3 ARG 106 3HB ARG 106 12.845 7.661 22.222 787 HG2 ARG 106 2HG ARG 106 14.092 8.204 20.119 788 HG3 ARG 106 3HG ARG 106 15.578 7.795 20.978 789 HD2 ARG 106 2HD ARG 106 14.193 5.599 21.534 790 HD3 ARG 106 3HD ARG 106 13.374 6.042 20.037 791 HE ARG 106 HE ARG 106 16.155 6.142 19.638 792 HH11 ARG 106 1HH1 ARG 106 13.591 3.845 20.159 793 HH12 ARG 106 2HH1 ARG 106 14.385 2.567 19.299 794 HH21 ARG 106 1HH2 ARG 106 17.210 4.468 18.504 795 HH22 ARG 106 2HH2 ARG 106 16.444 2.922 18.359 796 H PHE 107 H PHE 107 14.793 11.827 22.003 797 HA PHE 107 HA PHE 107 17.583 11.067 22.454 798 HB2 PHE 107 2HB PHE 107 16.467 12.542 20.458 799 HB3 PHE 107 3HB PHE 107 16.977 13.814 21.563 800 HD1 PHE 107 HD1 PHE 107 18.135 10.973 19.524 801 HD2 PHE 107 HD2 PHE 107 19.265 14.363 21.836 802 HE1 PHE 107 HE1 PHE 107 20.432 10.791 18.662 803 HE2 PHE 107 HE2 PHE 107 21.564 14.187 20.977 804 HZ PHE 107 HZ PHE 107 22.150 12.400 19.388 805 H GLU 108 H GLU 108 15.005 12.677 23.975 806 HA GLU 108 HA GLU 108 16.427 14.600 25.484 807 HB2 GLU 108 2HB GLU 108 13.726 13.526 25.389 808 HB3 GLU 108 3HB GLU 108 14.244 13.853 27.037 809 HG2 GLU 108 2HG GLU 108 15.047 16.116 25.789 810 HG3 GLU 108 3HG GLU 108 13.614 15.701 24.851 811 HA PRO 109 HA PRO 109 18.471 12.135 28.498 812 HB2 PRO 109 2HB PRO 109 18.661 13.951 30.507 813 HB3 PRO 109 3HB PRO 109 19.645 14.034 29.041 814 HG2 PRO 109 2HG PRO 109 17.150 15.536 29.735 815 HG3 PRO 109 3HG PRO 109 18.637 16.128 28.971 816 HD2 PRO 109 2HD PRO 109 16.404 15.546 27.555 817 HD3 PRO 109 3HD PRO 109 18.037 15.330 26.894 818 H THR 110 H THR 110 16.762 14.151 30.769 819 HA THR 110 HA THR 110 15.824 11.942 32.266 820 HB THR 110 HB THR 110 14.765 13.515 33.714 821 HG1 THR 110 HG1 THR 110 14.425 15.679 33.064 822 HG21 THR 110 3HG2 THR 110 16.558 15.027 34.229 823 HG22 THR 110 1HG2 THR 110 17.189 14.916 32.587 824 HG23 THR 110 2HG2 THR 110 17.264 13.516 33.658 Start of MODEL 7 1 H1 MET 1 H MET 1 15.864 3.688 -9.979 2 HA MET 1 HA MET 1 15.110 1.257 -8.658 3 HB2 MET 1 2HB MET 1 17.598 1.327 -10.065 4 HB3 MET 1 3HB MET 1 17.932 1.275 -8.340 5 HG2 MET 1 2HG MET 1 17.009 -0.797 -8.077 6 HG3 MET 1 3HG MET 1 15.918 -0.605 -9.448 7 HE1 MET 1 3HE MET 1 20.036 -2.184 -9.075 8 HE2 MET 1 1HE MET 1 20.266 -0.547 -9.690 9 HE3 MET 1 2HE MET 1 19.354 -0.809 -8.204 10 H LEU 2 H LEU 2 15.362 1.367 -6.430 11 HA LEU 2 HA LEU 2 16.969 3.183 -5.039 12 HB2 LEU 2 2HB LEU 2 14.951 4.524 -6.285 13 HB3 LEU 2 3HB LEU 2 14.237 4.196 -4.708 14 HG LEU 2 HG LEU 2 16.659 5.187 -3.984 15 HD11 LEU 2 1HD1 LEU 2 17.386 5.742 -6.185 16 HD12 LEU 2 2HD1 LEU 2 16.959 7.245 -5.368 17 HD13 LEU 2 3HD1 LEU 2 15.857 6.542 -6.551 18 HD21 LEU 2 3HD2 LEU 2 14.165 5.796 -3.437 19 HD22 LEU 2 1HD2 LEU 2 14.465 7.117 -4.567 20 HD23 LEU 2 2HD2 LEU 2 15.465 6.946 -3.124 21 H GLN 3 H GLN 3 16.653 3.097 -2.763 22 HA GLN 3 HA GLN 3 15.551 0.632 -1.862 23 HB2 GLN 3 2HB GLN 3 17.107 2.840 -0.713 24 HB3 GLN 3 3HB GLN 3 16.014 2.066 0.426 25 HG2 GLN 3 2HG GLN 3 17.491 0.138 -1.154 26 HG3 GLN 3 3HG GLN 3 18.550 1.225 -0.257 27 HE21 GLN 3 1HE2 GLN 3 19.178 0.298 1.547 28 HE22 GLN 3 2HE2 GLN 3 18.190 -0.632 2.616 29 H GLU 4 H GLU 4 14.349 3.857 -2.121 30 HA GLU 4 HA GLU 4 12.251 4.701 -1.811 31 HB2 GLU 4 2HB GLU 4 11.336 2.044 -0.742 32 HB3 GLU 4 3HB GLU 4 10.396 3.274 -1.574 33 HG2 GLU 4 2HG GLU 4 12.116 2.703 -3.520 34 HG3 GLU 4 3HG GLU 4 12.151 1.161 -2.667 35 H ARG 5 H ARG 5 12.624 2.277 0.783 36 HA ARG 5 HA ARG 5 12.530 2.451 3.049 37 HB2 ARG 5 2HB ARG 5 14.175 4.622 2.116 38 HB3 ARG 5 3HB ARG 5 13.294 5.116 3.556 39 HG2 ARG 5 2HG ARG 5 14.840 2.548 3.435 40 HG3 ARG 5 3HG ARG 5 15.585 4.081 3.893 41 HD2 ARG 5 2HD ARG 5 13.568 4.217 5.554 42 HD3 ARG 5 3HD ARG 5 13.512 2.471 5.316 43 HE ARG 5 HE ARG 5 15.505 3.967 6.761 44 HH11 ARG 5 1HH1 ARG 5 14.775 0.998 5.097 45 HH12 ARG 5 2HH1 ARG 5 15.989 0.082 5.927 46 HH21 ARG 5 1HH2 ARG 5 17.106 2.772 7.861 47 HH22 ARG 5 2HH2 ARG 5 17.313 1.091 7.501 48 H VAL 6 H VAL 6 11.748 4.116 4.887 49 HA VAL 6 HA VAL 6 9.025 4.836 4.091 50 HB VAL 6 HB VAL 6 9.382 3.332 6.053 51 HG11 VAL 6 1HG1 VAL 6 10.450 5.821 7.380 52 HG12 VAL 6 2HG1 VAL 6 10.188 4.251 8.141 53 HG13 VAL 6 3HG1 VAL 6 11.423 4.433 6.895 54 HG21 VAL 6 3HG2 VAL 6 7.466 5.136 5.664 55 HG22 VAL 6 1HG2 VAL 6 7.526 4.122 7.106 56 HG23 VAL 6 2HG2 VAL 6 8.128 5.778 7.167 57 H PHE 7 H PHE 7 8.145 6.857 4.421 58 HA PHE 7 HA PHE 7 10.095 9.016 4.740 59 HB2 PHE 7 2HB PHE 7 7.333 8.880 3.549 60 HB3 PHE 7 3HB PHE 7 8.096 10.423 3.922 61 HD1 PHE 7 HD2 PHE 7 10.756 10.305 3.094 62 HD2 PHE 7 HD1 PHE 7 7.396 8.386 1.320 63 HE1 PHE 7 HE2 PHE 7 11.934 10.244 0.935 64 HE2 PHE 7 HE1 PHE 7 8.569 8.321 -0.841 65 HZ PHE 7 HZ PHE 7 10.841 9.252 -1.036 66 H HIS 8 H HIS 8 10.183 10.221 6.517 67 HA HIS 8 HA HIS 8 7.843 10.291 8.299 68 HB2 HIS 8 2HB HIS 8 9.785 8.748 9.038 69 HB3 HIS 8 3HB HIS 8 10.651 10.244 9.378 70 HD1 HIS 8 HD1 HIS 8 6.985 9.636 10.081 71 HD2 HIS 8 HD2 HIS 8 10.569 10.166 12.114 72 HE1 HIS 8 HE1 HIS 8 6.357 9.833 12.508 73 H ILE 9 H ILE 9 7.974 12.111 9.895 74 HA ILE 9 HA ILE 9 8.155 14.560 8.629 75 HB ILE 9 HB ILE 9 6.916 14.357 10.675 76 HG12 ILE 9 2HG1 ILE 9 9.072 16.138 11.655 77 HG13 ILE 9 3HG1 ILE 9 8.449 16.490 10.047 78 HG21 ILE 9 1HG2 ILE 9 8.391 12.657 11.716 79 HG22 ILE 9 2HG2 ILE 9 9.534 13.941 12.107 80 HG23 ILE 9 3HG2 ILE 9 7.922 13.949 12.822 81 HD11 ILE 9 3HD1 ILE 9 7.396 17.369 12.418 82 HD12 ILE 9 1HD1 ILE 9 6.570 17.352 10.860 83 HD13 ILE 9 2HD1 ILE 9 6.345 16.019 11.992 84 H ASN 10 H ASN 10 10.594 12.875 10.553 85 HA ASN 10 HA ASN 10 12.486 14.975 10.590 86 HB2 ASN 10 2HB ASN 10 12.409 12.852 12.044 87 HB3 ASN 10 3HB ASN 10 13.204 12.052 10.692 88 HD21 ASN 10 1HD2 ASN 10 13.579 15.262 12.149 89 HD22 ASN 10 2HD2 ASN 10 15.270 15.108 12.466 90 H ASP 11 H ASP 11 12.149 12.120 8.501 91 HA ASP 11 HA ASP 11 13.163 11.554 6.531 92 HB2 ASP 11 2HB ASP 11 11.932 14.138 6.293 93 HB3 ASP 11 3HB ASP 11 13.356 14.072 5.257 94 H ARG 12 H ARG 12 15.209 10.988 7.341 95 HA ARG 12 HA ARG 12 17.288 12.973 7.563 96 HB2 ARG 12 2HB ARG 12 18.751 10.967 7.967 97 HB3 ARG 12 3HB ARG 12 17.406 11.140 9.086 98 HG2 ARG 12 2HG ARG 12 16.549 9.175 8.507 99 HG3 ARG 12 3HG ARG 12 16.704 9.527 6.785 100 HD2 ARG 12 2HD ARG 12 18.594 8.344 6.606 101 HD3 ARG 12 3HD ARG 12 19.262 9.029 8.087 102 HE ARG 12 HE ARG 12 18.648 7.119 9.158 103 HH11 ARG 12 1HH1 ARG 12 16.666 7.469 6.317 104 HH12 ARG 12 2HH1 ARG 12 15.859 5.952 6.534 105 HH21 ARG 12 1HH2 ARG 12 17.592 5.119 9.454 106 HH22 ARG 12 2HH2 ARG 12 16.385 4.616 8.319 107 H VAL 13 H VAL 13 17.963 13.871 5.712 108 HA VAL 13 HA VAL 13 19.084 12.111 3.671 109 HB VAL 13 HB VAL 13 18.075 13.636 1.885 110 HG11 VAL 13 1HG1 VAL 13 15.781 12.202 2.979 111 HG12 VAL 13 2HG1 VAL 13 16.646 11.968 1.459 112 HG13 VAL 13 3HG1 VAL 13 17.260 11.243 2.945 113 HG21 VAL 13 3HG2 VAL 13 16.041 14.792 2.402 114 HG22 VAL 13 1HG2 VAL 13 16.065 14.192 4.060 115 HG23 VAL 13 2HG2 VAL 13 17.285 15.346 3.522 116 H TRP 14 H TRP 14 20.233 13.513 1.950 117 HA TRP 14 HA TRP 14 21.545 15.776 3.309 118 HB2 TRP 14 2HB TRP 14 22.670 13.362 2.178 119 HB3 TRP 14 3HB TRP 14 23.332 14.790 1.386 120 HD1 TRP 14 HD1 TRP 14 25.242 15.998 2.617 121 HE1 TRP 14 HE1 TRP 14 26.296 15.837 4.960 122 HE3 TRP 14 HE3 TRP 14 21.911 12.782 4.786 123 HZ2 TRP 14 HZ2 TRP 14 25.783 14.520 7.404 124 HZ3 TRP 14 HZ3 TRP 14 22.265 12.121 7.129 125 HH2 TRP 14 HH2 TRP 14 24.162 12.972 8.409 126 H LEU 15 H LEU 15 21.686 17.654 2.224 127 HA LEU 15 HA LEU 15 20.664 17.691 -0.535 128 HB2 LEU 15 2HB LEU 15 19.485 18.952 1.366 129 HB3 LEU 15 3HB LEU 15 20.841 20.074 1.279 130 HG LEU 15 HG LEU 15 19.343 19.485 -1.224 131 HD11 LEU 15 1HD1 LEU 15 17.631 21.085 -0.726 132 HD12 LEU 15 2HD1 LEU 15 18.336 21.419 0.855 133 HD13 LEU 15 3HD1 LEU 15 17.615 19.844 0.527 134 HD21 LEU 15 3HD2 LEU 15 21.234 21.422 -0.217 135 HD22 LEU 15 1HD2 LEU 15 19.806 22.208 -0.891 136 HD23 LEU 15 2HD2 LEU 15 20.743 21.085 -1.877 137 H LYS 16 H LYS 16 21.932 18.375 -2.145 138 HA LYS 16 HA LYS 16 24.662 19.153 -1.519 139 HB2 LYS 16 2HB LYS 16 24.307 17.446 -3.225 140 HB3 LYS 16 3HB LYS 16 23.314 18.557 -4.159 141 HG2 LYS 16 2HG LYS 16 25.491 18.426 -5.149 142 HG3 LYS 16 3HG LYS 16 25.283 20.026 -4.432 143 HD2 LYS 16 2HD LYS 16 27.496 19.171 -3.931 144 HD3 LYS 16 3HD LYS 16 26.541 19.277 -2.451 145 HE2 LYS 16 2HE LYS 16 27.875 17.180 -2.665 146 HE3 LYS 16 3HE LYS 16 26.144 16.921 -2.457 147 HZ1 LYS 16 3HZ LYS 16 27.118 17.083 -5.197 148 HZ2 LYS 16 1HZ LYS 16 25.926 16.086 -4.528 149 HZ3 LYS 16 2HZ LYS 16 27.561 15.704 -4.323 150 H THR 17 H THR 17 25.082 21.230 -1.185 151 HA THR 17 HA THR 17 23.390 23.321 -2.183 152 HB THR 17 HB THR 17 26.109 23.773 -0.979 153 HG1 THR 17 HG1 THR 17 23.734 22.880 0.269 154 HG21 THR 17 3HG2 THR 17 25.079 25.793 -0.115 155 HG22 THR 17 1HG2 THR 17 23.514 25.304 -0.762 156 HG23 THR 17 2HG2 THR 17 24.837 25.702 -1.859 157 H GLY 18 H GLY 18 26.413 21.858 -3.136 158 HA2 GLY 18 2HA GLY 18 26.301 23.236 -5.675 159 HA3 GLY 18 3HA GLY 18 27.674 23.689 -4.677 160 H ALA 19 H ALA 19 29.048 21.866 -3.894 161 HA ALA 19 HA ALA 19 28.952 19.418 -5.431 162 HB1 ALA 19 1HB ALA 19 30.055 20.678 -7.081 163 HB2 ALA 19 2HB ALA 19 31.082 21.486 -5.895 164 HB3 ALA 19 3HB ALA 19 31.329 19.778 -6.257 165 H ASN 20 H ASN 20 30.779 21.483 -3.213 166 HA ASN 20 HA ASN 20 31.692 19.054 -1.817 167 HB2 ASN 20 2HB ASN 20 33.104 21.453 -2.644 168 HB3 ASN 20 3HB ASN 20 33.262 21.178 -0.911 169 HD21 ASN 20 1HD2 ASN 20 33.061 18.977 -3.683 170 HD22 ASN 20 2HD2 ASN 20 34.542 18.151 -3.352 171 H THR 21 H THR 21 29.569 21.591 -1.648 172 HA THR 21 HA THR 21 29.556 21.545 1.300 173 HB THR 21 HB THR 21 27.995 23.714 0.202 174 HG1 THR 21 HG1 THR 21 30.761 23.970 -0.334 175 HG21 THR 21 3HG2 THR 21 30.499 23.739 1.890 176 HG22 THR 21 1HG2 THR 21 28.866 23.517 2.518 177 HG23 THR 21 2HG2 THR 21 29.313 25.035 1.740 178 H TRP 22 H TRP 22 27.897 20.519 2.186 179 HA TRP 22 HA TRP 22 25.316 20.507 0.781 180 HB2 TRP 22 2HB TRP 22 25.058 18.109 1.671 181 HB3 TRP 22 3HB TRP 22 26.107 18.351 0.277 182 HD1 TRP 22 HD1 TRP 22 26.622 18.280 4.137 183 HE1 TRP 22 HE1 TRP 22 28.781 16.962 4.613 184 HE3 TRP 22 HE3 TRP 22 27.998 17.212 -0.670 185 HZ2 TRP 22 HZ2 TRP 22 30.800 15.644 3.145 186 HZ3 TRP 22 HZ3 TRP 22 30.057 15.919 -1.048 187 HH2 TRP 22 HH2 TRP 22 31.428 15.153 0.821 188 H TRP 23 H TRP 23 23.472 20.115 2.166 189 HA TRP 23 HA TRP 23 23.975 20.517 5.029 190 HB2 TRP 23 2HB TRP 23 22.260 22.223 3.238 191 HB3 TRP 23 3HB TRP 23 21.954 22.118 4.969 192 HD1 TRP 23 HD1 TRP 23 25.168 22.052 5.716 193 HE1 TRP 23 HE1 TRP 23 26.433 24.293 5.654 194 HE3 TRP 23 HE3 TRP 23 21.972 24.707 2.737 195 HZ2 TRP 23 HZ2 TRP 23 26.118 26.848 4.497 196 HZ3 TRP 23 HZ3 TRP 23 22.526 27.044 2.201 197 HH2 TRP 23 HH2 TRP 23 24.556 28.090 3.065 198 HA PRO 24 HA PRO 24 20.846 17.511 5.680 199 HB2 PRO 24 2HB PRO 24 19.706 18.387 7.983 200 HB3 PRO 24 3HB PRO 24 21.318 17.663 7.924 201 HG2 PRO 24 2HG PRO 24 20.541 20.553 8.024 202 HG3 PRO 24 3HG PRO 24 21.828 19.708 8.906 203 HD2 PRO 24 2HD PRO 24 22.312 21.200 6.699 204 HD3 PRO 24 3HD PRO 24 23.268 19.762 7.108 205 H ALA 25 H ALA 25 18.772 17.108 5.104 206 HA ALA 25 HA ALA 25 16.950 19.408 4.833 207 HB1 ALA 25 1HB ALA 25 18.052 18.267 2.694 208 HB2 ALA 25 2HB ALA 25 16.684 17.173 2.907 209 HB3 ALA 25 3HB ALA 25 16.406 18.901 2.689 210 H LYS 26 H LYS 26 14.962 19.148 5.657 211 HA LYS 26 HA LYS 26 14.083 16.427 6.357 212 HB2 LYS 26 2HB LYS 26 14.737 17.271 8.444 213 HB3 LYS 26 3HB LYS 26 14.151 18.888 8.078 214 HG2 LYS 26 2HG LYS 26 12.060 16.849 8.063 215 HG3 LYS 26 3HG LYS 26 12.862 17.047 9.623 216 HD2 LYS 26 2HD LYS 26 11.821 19.380 8.034 217 HD3 LYS 26 3HD LYS 26 10.820 18.500 9.191 218 HE2 LYS 26 2HE LYS 26 12.530 18.972 10.934 219 HE3 LYS 26 3HE LYS 26 13.394 19.965 9.762 220 HZ1 LYS 26 3HZ LYS 26 11.953 21.638 10.008 221 HZ2 LYS 26 1HZ LYS 26 11.506 20.872 11.449 222 HZ3 LYS 26 2HZ LYS 26 10.600 20.623 10.042 223 H VAL 27 H VAL 27 12.062 15.935 5.760 224 HA VAL 27 HA VAL 27 10.445 18.054 4.544 225 HB VAL 27 HB VAL 27 9.970 15.077 4.398 226 HG11 VAL 27 1HG1 VAL 27 9.014 16.308 2.111 227 HG12 VAL 27 2HG1 VAL 27 8.052 15.748 3.481 228 HG13 VAL 27 3HG1 VAL 27 8.589 17.427 3.406 229 HG21 VAL 27 3HG2 VAL 27 11.878 16.801 2.957 230 HG22 VAL 27 1HG2 VAL 27 11.915 15.063 3.254 231 HG23 VAL 27 2HG2 VAL 27 10.918 15.714 1.954 232 H THR 28 H THR 28 8.805 18.896 5.630 233 HA THR 28 HA THR 28 7.896 17.724 8.098 234 HB THR 28 HB THR 28 8.102 20.149 7.935 235 HG1 THR 28 HG1 THR 28 6.056 20.629 8.809 236 HG21 THR 28 3HG2 THR 28 6.344 19.741 5.582 237 HG22 THR 28 1HG2 THR 28 7.644 20.905 5.836 238 HG23 THR 28 2HG2 THR 28 6.059 21.184 6.556 239 H SER 29 H SER 29 7.130 17.201 4.912 240 HA SER 29 HA SER 29 5.459 16.070 3.861 241 HB2 SER 29 2HB SER 29 5.699 14.773 6.179 242 HB3 SER 29 3HB SER 29 4.071 15.408 6.415 243 HG SER 29 HG SER 29 3.462 14.401 4.473 244 H VAL 30 H VAL 30 5.070 18.670 3.783 245 HA VAL 30 HA VAL 30 2.198 19.012 4.351 246 HB VAL 30 HB VAL 30 4.321 21.160 4.446 247 HG11 VAL 30 1HG1 VAL 30 2.297 22.453 5.420 248 HG12 VAL 30 2HG1 VAL 30 2.440 22.270 3.671 249 HG13 VAL 30 3HG1 VAL 30 1.333 21.240 4.578 250 HG21 VAL 30 3HG2 VAL 30 2.605 20.129 6.696 251 HG22 VAL 30 1HG2 VAL 30 4.241 19.553 6.377 252 HG23 VAL 30 2HG2 VAL 30 3.968 21.244 6.798 253 H THR 31 H THR 31 1.116 18.990 2.501 254 HA THR 31 HA THR 31 2.298 19.414 -0.036 255 HB THR 31 HB THR 31 0.292 18.003 0.299 256 HG1 THR 31 HG1 THR 31 0.773 18.946 -1.777 257 HG21 THR 31 3HG2 THR 31 -0.693 20.068 1.770 258 HG22 THR 31 1HG2 THR 31 -1.671 18.757 1.113 259 HG23 THR 31 2HG2 THR 31 -1.554 20.290 0.248 260 H GLY 32 H GLY 32 1.224 21.011 -1.632 261 HA2 GLY 32 2HA GLY 32 0.895 23.633 -0.314 262 HA3 GLY 32 3HA GLY 32 1.956 23.434 -1.701 263 H VAL 33 H VAL 33 -1.275 22.089 -1.117 264 HA VAL 33 HA VAL 33 -2.438 23.860 -3.106 265 HB VAL 33 HB VAL 33 -2.393 20.865 -3.501 266 HG11 VAL 33 1HG1 VAL 33 -3.495 22.166 -5.734 267 HG12 VAL 33 2HG1 VAL 33 -4.313 21.097 -4.593 268 HG13 VAL 33 3HG1 VAL 33 -4.303 22.840 -4.319 269 HG21 VAL 33 3HG2 VAL 33 -1.288 21.449 -5.644 270 HG22 VAL 33 1HG2 VAL 33 -1.212 23.127 -5.107 271 HG23 VAL 33 2HG2 VAL 33 -0.331 21.879 -4.226 272 H GLU 34 H GLU 34 -3.406 20.672 -1.864 273 HA GLU 34 HA GLU 34 -5.091 21.549 0.178 274 HB2 GLU 34 2HB GLU 34 -7.308 21.134 -1.004 275 HB3 GLU 34 3HB GLU 34 -6.492 22.648 -1.367 276 HG2 GLU 34 2HG GLU 34 -6.357 22.160 -3.523 277 HG3 GLU 34 3HG GLU 34 -5.694 20.561 -3.193 278 H GLY 35 H GLY 35 -3.292 19.401 -0.467 279 HA2 GLY 35 2HA GLY 35 -3.241 17.211 0.365 280 HA3 GLY 35 3HA GLY 35 -4.999 17.188 0.349 281 H VAL 36 H VAL 36 -2.823 18.000 -2.318 282 HA VAL 36 HA VAL 36 -4.085 15.877 -3.896 283 HB VAL 36 HB VAL 36 -4.038 18.244 -4.758 284 HG11 VAL 36 1HG1 VAL 36 -2.139 19.384 -5.012 285 HG12 VAL 36 2HG1 VAL 36 -1.366 18.121 -4.052 286 HG13 VAL 36 3HG1 VAL 36 -1.345 18.029 -5.813 287 HG21 VAL 36 3HG2 VAL 36 -2.562 16.369 -6.584 288 HG22 VAL 36 1HG2 VAL 36 -4.251 16.113 -6.143 289 HG23 VAL 36 2HG2 VAL 36 -3.775 17.581 -6.997 290 H ASP 37 H ASP 37 -1.490 16.134 -1.978 291 HA ASP 37 HA ASP 37 0.653 15.186 -3.549 292 HB2 ASP 37 2HB ASP 37 0.964 16.183 -1.320 293 HB3 ASP 37 3HB ASP 37 0.149 14.803 -0.590 294 H GLY 38 H GLY 38 -2.202 13.675 -2.536 295 HA2 GLY 38 2HA GLY 38 -1.013 10.992 -2.780 296 HA3 GLY 38 3HA GLY 38 -2.567 11.351 -2.044 297 H ARG 39 H ARG 39 -2.950 13.251 -4.463 298 HA ARG 39 HA ARG 39 -4.127 11.184 -6.168 299 HB2 ARG 39 2HB ARG 39 -4.557 14.159 -6.391 300 HB3 ARG 39 3HB ARG 39 -5.570 12.867 -7.021 301 HG2 ARG 39 2HG ARG 39 -6.294 12.269 -4.824 302 HG3 ARG 39 3HG ARG 39 -5.133 13.377 -4.089 303 HD2 ARG 39 2HD ARG 39 -6.614 15.026 -4.198 304 HD3 ARG 39 3HD ARG 39 -6.717 14.836 -5.947 305 HE ARG 39 HE ARG 39 -8.291 12.857 -4.756 306 HH11 ARG 39 1HH1 ARG 39 -8.215 16.319 -5.113 307 HH12 ARG 39 2HH1 ARG 39 -9.936 16.497 -5.024 308 HH21 ARG 39 1HH2 ARG 39 -10.558 13.078 -4.638 309 HH22 ARG 39 2HH2 ARG 39 -11.268 14.653 -4.753 310 H SER 40 H SER 40 -1.230 12.002 -6.120 311 HA SER 40 HA SER 40 0.465 12.192 -7.628 312 HB2 SER 40 2HB SER 40 -1.635 11.952 -9.789 313 HB3 SER 40 3HB SER 40 0.083 11.575 -9.915 314 HG SER 40 HG SER 40 -0.225 9.731 -8.879 315 H SER 41 H SER 41 1.540 13.806 -8.746 316 HA SER 41 HA SER 41 0.479 16.421 -8.499 317 HB2 SER 41 2HB SER 41 2.954 15.634 -8.477 318 HB3 SER 41 3HB SER 41 2.847 15.763 -10.233 319 HG SER 41 HG SER 41 3.361 17.772 -9.802 320 H GLU 42 H GLU 42 0.310 14.060 -10.973 321 HA GLU 42 HA GLU 42 0.099 15.630 -13.270 322 HB2 GLU 42 2HB GLU 42 -0.980 13.753 -14.299 323 HB3 GLU 42 3HB GLU 42 0.252 13.135 -13.207 324 HG2 GLU 42 2HG GLU 42 -1.313 11.812 -12.370 325 HG3 GLU 42 3HG GLU 42 -2.021 13.251 -11.640 326 H THR 43 H THR 43 -2.071 15.228 -10.630 327 HA THR 43 HA THR 43 -4.481 15.951 -11.950 328 HB THR 43 HB THR 43 -3.738 16.151 -9.026 329 HG1 THR 43 HG1 THR 43 -4.909 14.188 -8.904 330 HG21 THR 43 3HG2 THR 43 -6.305 16.627 -10.495 331 HG22 THR 43 1HG2 THR 43 -5.569 17.572 -9.202 332 HG23 THR 43 2HG2 THR 43 -6.325 16.020 -8.840 333 H GLY 44 H GLY 44 -2.403 17.820 -9.721 334 HA2 GLY 44 2HA GLY 44 -3.103 20.238 -11.242 335 HA3 GLY 44 3HA GLY 44 -3.337 20.222 -9.501 336 H THR 45 H THR 45 -1.523 20.191 -8.127 337 HA THR 45 HA THR 45 1.137 20.282 -9.233 338 HB THR 45 HB THR 45 1.472 22.594 -8.018 339 HG1 THR 45 HG1 THR 45 -1.168 22.960 -8.978 340 HG21 THR 45 3HG2 THR 45 1.500 21.845 -10.577 341 HG22 THR 45 1HG2 THR 45 1.657 23.532 -10.089 342 HG23 THR 45 2HG2 THR 45 0.097 22.912 -10.629 343 H SER 46 H SER 46 0.699 18.412 -7.627 344 HA SER 46 HA SER 46 0.591 18.945 -4.855 345 HB2 SER 46 2HB SER 46 0.122 16.746 -5.045 346 HB3 SER 46 3HB SER 46 0.986 16.608 -6.576 347 HG SER 46 HG SER 46 2.135 16.602 -3.980 348 H THR 47 H THR 47 2.072 20.215 -3.925 349 HA THR 47 HA THR 47 4.915 19.593 -4.405 350 HB THR 47 HB THR 47 5.509 21.872 -4.105 351 HG1 THR 47 HG1 THR 47 3.540 23.360 -3.751 352 HG21 THR 47 3HG2 THR 47 4.163 21.092 -6.255 353 HG22 THR 47 1HG2 THR 47 4.686 22.763 -6.045 354 HG23 THR 47 2HG2 THR 47 3.022 22.307 -5.678 355 H VAL 48 H VAL 48 6.032 18.927 -2.693 356 HA VAL 48 HA VAL 48 4.789 19.108 -0.050 357 HB VAL 48 HB VAL 48 7.187 17.494 -0.930 358 HG11 VAL 48 1HG1 VAL 48 6.694 16.258 1.218 359 HG12 VAL 48 2HG1 VAL 48 7.368 17.879 1.399 360 HG13 VAL 48 3HG1 VAL 48 5.643 17.606 1.650 361 HG21 VAL 48 3HG2 VAL 48 5.594 16.287 -1.972 362 HG22 VAL 48 1HG2 VAL 48 5.264 15.686 -0.347 363 HG23 VAL 48 2HG2 VAL 48 4.288 16.992 -1.019 364 H THR 49 H THR 49 5.325 20.831 1.114 365 HA THR 49 HA THR 49 7.774 22.273 0.685 366 HB THR 49 HB THR 49 5.754 22.660 2.901 367 HG1 THR 49 HG1 THR 49 4.775 24.133 1.505 368 HG21 THR 49 3HG2 THR 49 6.651 24.888 3.069 369 HG22 THR 49 1HG2 THR 49 7.716 24.610 1.692 370 HG23 THR 49 2HG2 THR 49 7.981 23.738 3.202 371 H VAL 50 H VAL 50 9.659 21.937 1.657 372 HA VAL 50 HA VAL 50 9.689 20.363 4.151 373 HB VAL 50 HB VAL 50 11.695 19.323 3.532 374 HG11 VAL 50 1HG1 VAL 50 9.580 18.704 2.209 375 HG12 VAL 50 2HG1 VAL 50 10.368 19.507 0.849 376 HG13 VAL 50 3HG1 VAL 50 11.134 18.116 1.618 377 HG21 VAL 50 3HG2 VAL 50 11.933 21.504 1.481 378 HG22 VAL 50 1HG2 VAL 50 13.050 21.078 2.778 379 HG23 VAL 50 2HG2 VAL 50 12.884 20.023 1.375 380 H LEU 51 H LEU 51 11.093 20.981 5.793 381 HA LEU 51 HA LEU 51 12.535 23.513 5.430 382 HB2 LEU 51 2HB LEU 51 10.169 23.511 6.660 383 HB3 LEU 51 3HB LEU 51 11.182 23.053 8.027 384 HG LEU 51 HG LEU 51 12.095 25.403 6.499 385 HD11 LEU 51 1HD1 LEU 51 9.846 25.867 8.394 386 HD12 LEU 51 2HD1 LEU 51 9.483 25.438 6.722 387 HD13 LEU 51 3HD1 LEU 51 10.440 26.877 7.075 388 HD21 LEU 51 3HD2 LEU 51 12.886 24.299 8.771 389 HD22 LEU 51 1HD2 LEU 51 11.630 25.346 9.432 390 HD23 LEU 51 2HD2 LEU 51 12.962 26.042 8.508 391 H THR 52 H THR 52 14.598 23.139 5.855 392 HA THR 52 HA THR 52 15.494 20.871 7.332 393 HB THR 52 HB THR 52 17.693 21.550 6.841 394 HG1 THR 52 HG1 THR 52 16.808 24.161 6.158 395 HG21 THR 52 3HG2 THR 52 17.664 21.705 4.543 396 HG22 THR 52 1HG2 THR 52 16.342 22.871 4.529 397 HG23 THR 52 2HG2 THR 52 16.014 21.169 4.856 398 H TYR 53 H TYR 53 17.559 21.659 8.877 399 HA TYR 53 HA TYR 53 16.198 23.039 11.083 400 HB2 TYR 53 2HB TYR 53 18.377 20.980 10.968 401 HB3 TYR 53 3HB TYR 53 18.198 21.997 12.393 402 HD1 TYR 53 HD1 TYR 53 16.348 19.612 10.221 403 HD2 TYR 53 HD2 TYR 53 16.628 21.458 14.044 404 HE1 TYR 53 HE1 TYR 53 14.606 18.099 11.072 405 HE2 TYR 53 HE2 TYR 53 14.887 19.949 14.906 406 HH TYR 53 HH TYR 53 13.824 17.914 14.451 407 HA PRO 54 HA PRO 54 18.877 26.513 10.889 408 HB2 PRO 54 2HB PRO 54 18.994 27.206 13.511 409 HB3 PRO 54 3HB PRO 54 17.557 27.459 12.513 410 HG2 PRO 54 2HG PRO 54 18.149 25.263 14.459 411 HG3 PRO 54 3HG PRO 54 16.644 26.169 14.219 412 HD2 PRO 54 2HD PRO 54 17.026 23.686 13.208 413 HD3 PRO 54 3HD PRO 54 16.026 24.906 12.393 414 H GLY 55 H GLY 55 21.019 26.691 10.679 415 HA2 GLY 55 2HA GLY 55 22.743 24.787 12.047 416 HA3 GLY 55 3HA GLY 55 23.212 25.873 10.747 417 H THR 56 H THR 56 24.934 26.904 11.584 418 HA THR 56 HA THR 56 24.685 28.092 14.259 419 HB THR 56 HB THR 56 26.660 26.716 14.001 420 HG1 THR 56 HG1 THR 56 28.159 28.261 14.652 421 HG21 THR 56 3HG2 THR 56 28.396 27.236 12.365 422 HG22 THR 56 1HG2 THR 56 27.402 28.535 11.706 423 HG23 THR 56 2HG2 THR 56 26.874 26.858 11.558 424 H GLN 57 H GLN 57 25.325 28.859 10.887 425 HA GLN 57 HA GLN 57 25.137 31.720 11.569 426 HB2 GLN 57 2HB GLN 57 27.114 30.286 10.034 427 HB3 GLN 57 3HB GLN 57 26.321 31.491 9.029 428 HG2 GLN 57 2HG GLN 57 27.083 32.472 11.671 429 HG3 GLN 57 3HG GLN 57 28.441 31.949 10.676 430 HE21 GLN 57 1HE2 GLN 57 27.186 34.618 11.587 431 HE22 GLN 57 2HE2 GLN 57 27.186 35.561 10.140 432 H ASN 58 H ASN 58 24.070 29.120 9.521 433 HA ASN 58 HA ASN 58 22.321 30.960 8.041 434 HB2 ASN 58 2HB ASN 58 23.919 28.926 7.109 435 HB3 ASN 58 3HB ASN 58 22.340 28.150 7.197 436 HD21 ASN 58 1HD2 ASN 58 20.556 29.236 6.112 437 HD22 ASN 58 2HD2 ASN 58 20.878 30.132 4.671 438 H LYS 59 H LYS 59 20.109 30.667 7.980 439 HA LYS 59 HA LYS 59 19.029 28.968 10.117 440 HB2 LYS 59 2HB LYS 59 18.603 31.589 9.713 441 HB3 LYS 59 3HB LYS 59 17.300 30.940 8.725 442 HG2 LYS 59 2HG LYS 59 17.587 29.819 11.444 443 HG3 LYS 59 3HG LYS 59 17.029 31.489 11.320 444 HD2 LYS 59 2HD LYS 59 15.689 29.777 9.411 445 HD3 LYS 59 3HD LYS 59 15.488 29.185 11.061 446 HE2 LYS 59 2HE LYS 59 13.698 30.650 10.776 447 HE3 LYS 59 3HE LYS 59 14.892 31.614 11.644 448 HZ1 LYS 59 3HZ LYS 59 13.654 32.420 9.423 449 HZ2 LYS 59 1HZ LYS 59 15.054 31.745 8.754 450 HZ3 LYS 59 2HZ LYS 59 15.177 32.980 9.904 451 H ALA 60 H ALA 60 17.006 27.836 9.735 452 HA ALA 60 HA ALA 60 17.066 26.285 7.380 453 HB1 ALA 60 1HB ALA 60 14.870 26.578 9.427 454 HB2 ALA 60 2HB ALA 60 14.966 25.313 8.201 455 HB3 ALA 60 3HB ALA 60 16.190 25.408 9.467 456 H THR 61 H THR 61 15.904 26.359 5.517 457 HA THR 61 HA THR 61 14.244 28.757 5.105 458 HB THR 61 HB THR 61 15.071 27.390 2.669 459 HG1 THR 61 HG1 THR 61 17.128 28.570 4.248 460 HG21 THR 61 3HG2 THR 61 15.206 30.179 3.780 461 HG22 THR 61 1HG2 THR 61 14.215 29.566 2.457 462 HG23 THR 61 2HG2 THR 61 15.954 29.761 2.239 463 H TYR 62 H TYR 62 12.428 28.542 3.612 464 HA TYR 62 HA TYR 62 11.246 25.844 3.709 465 HB2 TYR 62 2HB TYR 62 9.029 27.077 3.676 466 HB3 TYR 62 3HB TYR 62 9.968 27.230 5.157 467 HD1 TYR 62 HD1 TYR 62 11.133 29.349 5.671 468 HD2 TYR 62 HD2 TYR 62 8.567 28.978 2.298 469 HE1 TYR 62 HE1 TYR 62 11.021 31.800 5.495 470 HE2 TYR 62 HE2 TYR 62 8.448 31.428 2.112 471 HH TYR 62 HH TYR 62 8.995 33.374 3.044 472 H LYS 63 H LYS 63 10.945 24.922 1.804 473 HA LYS 63 HA LYS 63 10.261 26.582 -0.511 474 HB2 LYS 63 2HB LYS 63 12.752 26.066 -0.442 475 HB3 LYS 63 3HB LYS 63 12.316 24.381 -0.694 476 HG2 LYS 63 2HG LYS 63 12.773 25.094 -2.833 477 HG3 LYS 63 3HG LYS 63 11.020 25.285 -2.749 478 HD2 LYS 63 2HD LYS 63 11.675 27.299 -3.673 479 HD3 LYS 63 3HD LYS 63 11.595 27.699 -1.956 480 HE2 LYS 63 2HE LYS 63 14.191 26.651 -2.728 481 HE3 LYS 63 3HE LYS 63 13.754 28.091 -3.645 482 HZ1 LYS 63 3HZ LYS 63 14.628 27.900 -0.970 483 HZ2 LYS 63 1HZ LYS 63 13.084 28.592 -1.002 484 HZ3 LYS 63 2HZ LYS 63 14.340 29.287 -1.895 485 H ASN 64 H ASN 64 9.041 25.538 -2.102 486 HA ASN 64 HA ASN 64 7.760 23.068 -1.183 487 HB2 ASN 64 2HB ASN 64 5.950 23.635 -2.724 488 HB3 ASN 64 3HB ASN 64 6.295 24.994 -1.658 489 HD21 ASN 64 1HD2 ASN 64 7.444 26.788 -2.500 490 HD22 ASN 64 2HD2 ASN 64 7.433 27.125 -4.195 491 H VAL 65 H VAL 65 8.267 21.198 -2.094 492 HA VAL 65 HA VAL 65 8.900 21.064 -4.930 493 HB VAL 65 HB VAL 65 10.920 19.631 -4.464 494 HG11 VAL 65 1HG1 VAL 65 11.542 22.322 -3.386 495 HG12 VAL 65 2HG1 VAL 65 12.304 21.421 -4.698 496 HG13 VAL 65 3HG1 VAL 65 10.764 22.239 -4.966 497 HG21 VAL 65 3HG2 VAL 65 10.522 19.118 -2.138 498 HG22 VAL 65 1HG2 VAL 65 12.050 19.986 -2.293 499 HG23 VAL 65 2HG2 VAL 65 10.613 20.827 -1.711 500 H ASP 66 H ASP 66 8.590 19.021 -5.839 501 HA ASP 66 HA ASP 66 6.633 17.407 -4.636 502 HB2 ASP 66 2HB ASP 66 8.475 16.880 -6.974 503 HB3 ASP 66 3HB ASP 66 7.160 15.804 -6.508 504 H SER 67 H SER 67 10.114 17.262 -4.601 505 HA SER 67 HA SER 67 10.252 15.599 -2.362 506 HB2 SER 67 2HB SER 67 9.661 13.650 -3.427 507 HB3 SER 67 3HB SER 67 10.249 14.202 -4.995 508 HG SER 67 HG SER 67 11.489 12.500 -3.806 509 H HIS 68 H HIS 68 11.861 16.433 -5.405 510 HA HIS 68 HA HIS 68 13.942 17.233 -5.858 511 HB2 HIS 68 2HB HIS 68 13.201 18.469 -3.503 512 HB3 HIS 68 3HB HIS 68 14.771 17.778 -3.106 513 HD1 HIS 68 HD1 HIS 68 15.866 18.225 -6.116 514 HD2 HIS 68 HD2 HIS 68 14.217 21.070 -3.577 515 HE1 HIS 68 HE1 HIS 68 16.753 20.436 -6.918 516 H SER 69 H SER 69 13.383 14.429 -4.686 517 HA SER 69 HA SER 69 15.628 13.517 -3.304 518 HB2 SER 69 2HB SER 69 13.859 11.997 -3.361 519 HB3 SER 69 3HB SER 69 13.621 12.188 -5.098 520 HG SER 69 HG SER 69 14.767 10.210 -4.154 521 H SER 70 H SER 70 15.221 14.355 -6.630 522 HA SER 70 HA SER 70 17.453 12.885 -7.640 523 HB2 SER 70 2HB SER 70 15.448 14.722 -8.691 524 HB3 SER 70 3HB SER 70 17.042 15.001 -9.392 525 HG SER 70 HG SER 70 17.090 12.903 -10.101 526 H ALA 71 H ALA 71 17.234 15.564 -5.666 527 HA ALA 71 HA ALA 71 19.899 16.517 -6.494 528 HB1 ALA 71 1HB ALA 71 17.867 18.102 -6.635 529 HB2 ALA 71 2HB ALA 71 18.005 18.180 -4.878 530 HB3 ALA 71 3HB ALA 71 19.354 18.692 -5.892 531 H ILE 72 H ILE 72 17.922 15.318 -3.913 532 HA ILE 72 HA ILE 72 20.155 15.658 -2.024 533 HB ILE 72 HB ILE 72 18.578 15.424 -0.216 534 HG12 ILE 72 2HG1 ILE 72 16.477 15.053 -2.363 535 HG13 ILE 72 3HG1 ILE 72 17.064 13.803 -1.272 536 HG21 ILE 72 1HG2 ILE 72 18.180 17.601 -0.367 537 HG22 ILE 72 2HG2 ILE 72 18.566 17.537 -2.086 538 HG23 ILE 72 3HG2 ILE 72 16.903 17.310 -1.547 539 HD11 ILE 72 3HD1 ILE 72 16.271 15.666 0.504 540 HD12 ILE 72 1HD1 ILE 72 15.135 15.965 -0.811 541 HD13 ILE 72 2HD1 ILE 72 15.246 14.359 -0.089 542 H THR 73 H THR 73 20.935 13.913 -0.881 543 HA THR 73 HA THR 73 20.333 11.305 -2.039 544 HB THR 73 HB THR 73 22.316 10.906 -0.145 545 HG1 THR 73 HG1 THR 73 23.781 12.719 -0.929 546 HG21 THR 73 3HG2 THR 73 22.466 11.497 -3.097 547 HG22 THR 73 1HG2 THR 73 22.401 9.919 -2.313 548 HG23 THR 73 2HG2 THR 73 23.841 10.926 -2.153 549 H PHE 74 H PHE 74 20.582 9.436 -0.340 550 HA PHE 74 HA PHE 74 18.660 10.020 1.806 551 HB2 PHE 74 2HB PHE 74 18.285 8.221 -0.074 552 HB3 PHE 74 3HB PHE 74 19.338 7.235 0.937 553 HD1 PHE 74 HD2 PHE 74 16.090 8.916 0.716 554 HD2 PHE 74 HD1 PHE 74 18.599 6.401 3.061 555 HE1 PHE 74 HE2 PHE 74 14.165 8.318 2.126 556 HE2 PHE 74 HE1 PHE 74 16.677 5.798 4.475 557 HZ PHE 74 HZ PHE 74 14.457 6.757 4.009 558 H PHE 75 H PHE 75 20.598 10.897 2.967 559 HA PHE 75 HA PHE 75 22.065 10.738 4.698 560 HB2 PHE 75 2HB PHE 75 20.291 9.146 5.555 561 HB3 PHE 75 3HB PHE 75 21.270 7.832 4.911 562 HD1 PHE 75 HD2 PHE 75 23.472 7.338 5.880 563 HD2 PHE 75 HD1 PHE 75 20.897 10.283 7.557 564 HE1 PHE 75 HE2 PHE 75 24.785 7.297 7.960 565 HE2 PHE 75 HE1 PHE 75 22.207 10.248 9.639 566 HZ PHE 75 HZ PHE 75 24.153 8.753 9.843 567 H GLU 76 H GLU 76 24.128 10.908 4.137 568 HA GLU 76 HA GLU 76 25.794 8.673 3.751 569 HB2 GLU 76 2HB GLU 76 24.697 8.605 1.547 570 HB3 GLU 76 3HB GLU 76 25.208 10.260 1.246 571 HG2 GLU 76 2HG GLU 76 27.024 9.430 0.297 572 HG3 GLU 76 3HG GLU 76 27.548 8.924 1.902 573 HA PRO 77 HA PRO 77 27.688 12.788 4.908 574 HB2 PRO 77 2HB PRO 77 28.657 11.961 7.305 575 HB3 PRO 77 3HB PRO 77 27.028 12.617 7.102 576 HG2 PRO 77 2HG PRO 77 27.911 9.762 7.282 577 HG3 PRO 77 3HG PRO 77 26.519 10.553 8.044 578 HD2 PRO 77 2HD PRO 77 26.292 9.041 5.810 579 HD3 PRO 77 3HD PRO 77 25.245 10.439 6.127 580 H SER 78 H SER 78 29.831 13.294 4.675 581 HA SER 78 HA SER 78 31.622 11.049 4.055 582 HB2 SER 78 2HB SER 78 32.260 13.895 3.362 583 HB3 SER 78 3HB SER 78 32.729 12.412 2.532 584 HG SER 78 HG SER 78 30.524 12.197 1.891 585 H SER 79 H SER 79 31.130 13.692 6.213 586 HA SER 79 HA SER 79 32.233 14.396 8.074 587 HB2 SER 79 2HB SER 79 32.266 12.124 8.825 588 HB3 SER 79 3HB SER 79 33.575 11.711 7.718 589 HG SER 79 HG SER 79 33.792 12.522 10.201 590 H GLU 80 H GLU 80 35.028 12.642 6.844 591 HA GLU 80 HA GLU 80 36.780 14.806 7.102 592 HB2 GLU 80 2HB GLU 80 37.015 12.111 6.508 593 HB3 GLU 80 3HB GLU 80 37.579 12.901 5.042 594 HG2 GLU 80 2HG GLU 80 39.168 14.212 6.386 595 HG3 GLU 80 3HG GLU 80 38.631 13.348 7.826 596 H LYS 81 H LYS 81 34.960 13.623 4.320 597 HA LYS 81 HA LYS 81 36.131 15.471 2.474 598 HB2 LYS 81 2HB LYS 81 34.557 13.182 2.279 599 HB3 LYS 81 3HB LYS 81 33.511 14.474 1.704 600 HG2 LYS 81 2HG LYS 81 35.582 15.141 0.274 601 HG3 LYS 81 3HG LYS 81 36.083 13.475 0.575 602 HD2 LYS 81 2HD LYS 81 34.301 12.589 -0.599 603 HD3 LYS 81 3HD LYS 81 33.308 14.032 -0.384 604 HE2 LYS 81 2HE LYS 81 33.947 14.017 -2.656 605 HE3 LYS 81 3HE LYS 81 34.962 15.230 -1.876 606 HZ1 LYS 81 3HZ LYS 81 36.050 13.566 -3.467 607 HZ2 LYS 81 1HZ LYS 81 35.911 12.456 -2.197 608 HZ3 LYS 81 2HZ LYS 81 36.815 13.870 -1.989 609 H ALA 82 H ALA 82 33.774 15.732 4.887 610 HA ALA 82 HA ALA 82 32.476 18.027 3.604 611 HB1 ALA 82 1HB ALA 82 31.407 15.986 5.064 612 HB2 ALA 82 2HB ALA 82 31.547 17.264 6.272 613 HB3 ALA 82 3HB ALA 82 30.636 17.549 4.789 614 H VAL 83 H VAL 83 34.884 17.257 5.882 615 HA VAL 83 HA VAL 83 34.654 19.773 7.330 616 HB VAL 83 HB VAL 83 36.642 17.514 7.589 617 HG11 VAL 83 1HG1 VAL 83 36.904 18.881 9.882 618 HG12 VAL 83 2HG1 VAL 83 37.920 19.164 8.467 619 HG13 VAL 83 3HG1 VAL 83 36.538 20.213 8.786 620 HG21 VAL 83 3HG2 VAL 83 35.093 17.947 9.927 621 HG22 VAL 83 1HG2 VAL 83 33.992 17.854 8.552 622 HG23 VAL 83 2HG2 VAL 83 35.117 16.534 8.872 623 H THR 84 H THR 84 35.789 21.553 6.892 624 HA THR 84 HA THR 84 38.356 21.481 5.613 625 HB THR 84 HB THR 84 36.020 22.632 4.076 626 HG1 THR 84 HG1 THR 84 37.843 20.524 3.463 627 HG21 THR 84 3HG2 THR 84 38.881 23.207 4.008 628 HG22 THR 84 1HG2 THR 84 37.533 24.097 3.302 629 HG23 THR 84 2HG2 THR 84 38.231 22.724 2.442 630 H ALA 85 H ALA 85 35.611 23.750 5.877 631 HA ALA 85 HA ALA 85 36.637 25.288 7.956 632 HB1 ALA 85 1HB ALA 85 37.584 26.095 5.239 633 HB2 ALA 85 2HB ALA 85 37.282 27.323 6.469 634 HB3 ALA 85 3HB ALA 85 38.464 26.048 6.767 635 H ASN 86 H ASN 86 34.140 24.320 6.932 636 HA ASN 86 HA ASN 86 32.716 26.806 6.281 637 HB2 ASN 86 2HB ASN 86 32.147 23.909 5.787 638 HB3 ASN 86 3HB ASN 86 30.799 25.038 5.897 639 HD21 ASN 86 1HD2 ASN 86 32.831 23.562 3.816 640 HD22 ASN 86 2HD2 ASN 86 32.777 24.681 2.501 641 H GLU 87 H GLU 87 32.258 27.800 8.167 642 HA GLU 87 HA GLU 87 31.779 26.621 10.632 643 HB2 GLU 87 2HB GLU 87 30.616 28.769 11.207 644 HB3 GLU 87 3HB GLU 87 32.222 28.966 10.520 645 HG2 GLU 87 2HG GLU 87 31.123 29.363 8.304 646 HG3 GLU 87 3HG GLU 87 29.580 29.398 9.156 647 H ASP 88 H ASP 88 29.435 27.624 8.158 648 HA ASP 88 HA ASP 88 27.127 26.859 9.577 649 HB2 ASP 88 2HB ASP 88 26.104 26.764 7.221 650 HB3 ASP 88 3HB ASP 88 26.774 28.304 7.755 651 H LEU 89 H LEU 89 29.149 25.119 7.248 652 HA LEU 89 HA LEU 89 27.582 22.814 7.014 653 HB2 LEU 89 2HB LEU 89 29.486 23.392 5.553 654 HB3 LEU 89 3HB LEU 89 30.587 23.028 6.881 655 HG LEU 89 HG LEU 89 30.104 20.712 6.768 656 HD11 LEU 89 1HD1 LEU 89 27.897 20.316 6.469 657 HD12 LEU 89 2HD1 LEU 89 28.411 20.089 4.798 658 HD13 LEU 89 3HD1 LEU 89 27.704 21.624 5.302 659 HD21 LEU 89 3HD2 LEU 89 30.787 20.142 4.533 660 HD22 LEU 89 1HD2 LEU 89 31.615 21.620 5.025 661 HD23 LEU 89 2HD2 LEU 89 30.240 21.705 3.924 662 H LEU 90 H LEU 90 29.928 23.784 9.434 663 HA LEU 90 HA LEU 90 30.311 21.321 10.704 664 HB2 LEU 90 2HB LEU 90 31.700 23.255 11.162 665 HB3 LEU 90 3HB LEU 90 30.323 24.107 11.856 666 HG LEU 90 HG LEU 90 30.276 22.599 13.736 667 HD11 LEU 90 1HD1 LEU 90 32.322 21.094 12.150 668 HD12 LEU 90 2HD1 LEU 90 30.851 20.502 12.923 669 HD13 LEU 90 3HD1 LEU 90 32.246 20.947 13.906 670 HD21 LEU 90 3HD2 LEU 90 32.908 23.841 13.032 671 HD22 LEU 90 1HD2 LEU 90 32.701 22.970 14.552 672 HD23 LEU 90 2HD2 LEU 90 31.695 24.375 14.197 673 H GLN 91 H GLN 91 27.986 23.915 11.445 674 HA GLN 91 HA GLN 91 26.700 22.532 13.545 675 HB2 GLN 91 2HB GLN 91 26.598 25.078 12.583 676 HB3 GLN 91 3HB GLN 91 25.063 24.441 12.008 677 HG2 GLN 91 2HG GLN 91 24.881 25.561 14.185 678 HG3 GLN 91 3HG GLN 91 24.406 23.864 14.247 679 HE21 GLN 91 1HE2 GLN 91 24.748 24.189 16.563 680 HE22 GLN 91 2HE2 GLN 91 26.341 23.992 17.202 681 H ALA 92 H ALA 92 26.114 22.706 10.076 682 HA ALA 92 HA ALA 92 23.615 21.422 10.030 683 HB1 ALA 92 1HB ALA 92 23.814 22.027 7.907 684 HB2 ALA 92 2HB ALA 92 25.537 22.340 8.123 685 HB3 ALA 92 3HB ALA 92 24.983 20.728 7.670 686 H ILE 93 H ILE 93 26.910 20.156 9.966 687 HA ILE 93 HA ILE 93 26.316 17.484 9.380 688 HB ILE 93 HB ILE 93 28.579 18.671 10.983 689 HG12 ILE 93 2HG1 ILE 93 28.879 17.401 8.299 690 HG13 ILE 93 3HG1 ILE 93 28.147 19.000 8.381 691 HG21 ILE 93 1HG2 ILE 93 27.824 15.878 10.526 692 HG22 ILE 93 2HG2 ILE 93 29.495 16.260 10.114 693 HG23 ILE 93 3HG2 ILE 93 28.892 16.583 11.739 694 HD11 ILE 93 3HD1 ILE 93 30.127 19.951 8.613 695 HD12 ILE 93 1HD1 ILE 93 30.527 18.911 9.980 696 HD13 ILE 93 2HD1 ILE 93 30.860 18.372 8.333 697 H ARG 94 H ARG 94 26.330 19.245 12.431 698 HA ARG 94 HA ARG 94 26.031 16.998 14.123 699 HB2 ARG 94 2HB ARG 94 26.714 19.378 14.763 700 HB3 ARG 94 3HB ARG 94 24.999 19.764 14.724 701 HG2 ARG 94 2HG ARG 94 24.544 18.576 16.614 702 HG3 ARG 94 3HG ARG 94 25.865 17.436 16.349 703 HD2 ARG 94 2HD ARG 94 26.665 20.231 16.825 704 HD3 ARG 94 3HD ARG 94 25.909 19.412 18.192 705 HE ARG 94 HE ARG 94 27.914 17.780 17.039 706 HH11 ARG 94 1HH1 ARG 94 27.479 20.601 19.032 707 HH12 ARG 94 2HH1 ARG 94 28.982 20.400 19.871 708 HH21 ARG 94 1HH2 ARG 94 29.895 17.505 18.136 709 HH22 ARG 94 2HH2 ARG 94 30.355 18.639 19.360 710 H ASN 95 H ASN 95 23.667 19.280 12.763 711 HA ASN 95 HA ASN 95 21.377 18.198 13.933 712 HB2 ASN 95 2HB ASN 95 21.988 20.045 11.762 713 HB3 ASN 95 3HB ASN 95 20.535 19.102 11.447 714 HD21 ASN 95 1HD2 ASN 95 21.870 21.721 13.102 715 HD22 ASN 95 2HD2 ASN 95 20.498 22.125 14.071 716 H ALA 96 H ALA 96 22.566 17.646 10.613 717 HA ALA 96 HA ALA 96 20.808 15.726 9.787 718 HB1 ALA 96 1HB ALA 96 22.235 15.319 8.065 719 HB2 ALA 96 2HB ALA 96 22.964 16.807 8.672 720 HB3 ALA 96 3HB ALA 96 23.654 15.244 9.111 721 H GLU 97 H GLU 97 23.531 15.335 11.969 722 HA GLU 97 HA GLU 97 23.482 12.487 12.002 723 HB2 GLU 97 2HB GLU 97 25.508 13.557 12.655 724 HB3 GLU 97 3HB GLU 97 24.682 14.540 13.856 725 HG2 GLU 97 2HG GLU 97 25.936 12.791 14.936 726 HG3 GLU 97 3HG GLU 97 24.209 12.525 15.167 727 H GLU 98 H GLU 98 22.132 14.995 14.112 728 HA GLU 98 HA GLU 98 21.023 13.189 16.001 729 HB2 GLU 98 2HB GLU 98 20.357 15.043 17.117 730 HB3 GLU 98 3HB GLU 98 21.448 15.852 16.000 731 HG2 GLU 98 2HG GLU 98 19.474 16.211 14.492 732 HG3 GLU 98 3HG GLU 98 18.459 15.629 15.810 733 H ASP 99 H ASP 99 19.869 14.603 13.014 734 HA ASP 99 HA ASP 99 17.164 13.648 13.404 735 HB2 ASP 99 2HB ASP 99 18.481 14.895 10.980 736 HB3 ASP 99 3HB ASP 99 16.758 14.567 11.151 737 H LYS 100 H LYS 100 17.083 11.460 13.431 738 HA LYS 100 HA LYS 100 17.868 10.093 10.954 739 HB2 LYS 100 2HB LYS 100 18.659 9.400 13.754 740 HB3 LYS 100 3HB LYS 100 18.400 8.103 12.596 741 HG2 LYS 100 2HG LYS 100 19.997 9.726 11.152 742 HG3 LYS 100 3HG LYS 100 20.577 10.069 12.784 743 HD2 LYS 100 2HD LYS 100 20.310 7.317 11.574 744 HD3 LYS 100 3HD LYS 100 21.816 8.229 11.702 745 HE2 LYS 100 2HE LYS 100 20.567 8.176 14.260 746 HE3 LYS 100 3HE LYS 100 20.605 6.531 13.625 747 HZ1 LYS 100 3HZ LYS 100 23.079 7.811 13.151 748 HZ2 LYS 100 1HZ LYS 100 22.760 6.414 14.051 749 HZ3 LYS 100 2HZ LYS 100 22.687 7.932 14.792 750 H GLU 101 H GLU 101 15.397 10.755 10.996 751 HA GLU 101 HA GLU 101 13.215 10.099 11.067 752 HB2 GLU 101 2HB GLU 101 14.535 8.185 9.817 753 HB3 GLU 101 3HB GLU 101 14.084 7.244 11.233 754 HG2 GLU 101 2HG GLU 101 11.738 8.513 10.468 755 HG3 GLU 101 3HG GLU 101 12.498 8.028 8.954 756 H SER 102 H SER 102 14.508 10.573 13.614 757 HA SER 102 HA SER 102 12.515 9.397 15.315 758 HB2 SER 102 2HB SER 102 14.378 7.655 15.145 759 HB3 SER 102 3HB SER 102 15.386 8.799 16.030 760 HG SER 102 HG SER 102 14.148 7.153 17.276 761 H ASN 103 H ASN 103 13.270 12.039 14.519 762 HA ASN 103 HA ASN 103 14.784 13.334 16.539 763 HB2 ASN 103 2HB ASN 103 14.645 14.559 14.562 764 HB3 ASN 103 3HB ASN 103 12.918 14.261 14.381 765 HD21 ASN 103 1HD2 ASN 103 15.314 16.351 15.572 766 HD22 ASN 103 2HD2 ASN 103 14.270 17.513 16.308 767 H ALA 104 H ALA 104 14.174 14.343 18.399 768 HA ALA 104 HA ALA 104 12.933 14.852 20.238 769 HB1 ALA 104 1HB ALA 104 10.825 15.785 19.943 770 HB2 ALA 104 2HB ALA 104 11.600 16.041 18.379 771 HB3 ALA 104 3HB ALA 104 10.439 14.729 18.584 772 H LEU 105 H LEU 105 13.367 12.044 19.360 773 HA LEU 105 HA LEU 105 11.053 10.745 20.625 774 HB2 LEU 105 2HB LEU 105 12.147 10.128 18.277 775 HB3 LEU 105 3HB LEU 105 13.189 9.158 19.316 776 HG LEU 105 HG LEU 105 10.573 8.584 20.133 777 HD11 LEU 105 1HD1 LEU 105 9.523 9.428 18.228 778 HD12 LEU 105 2HD1 LEU 105 9.708 7.708 17.887 779 HD13 LEU 105 3HD1 LEU 105 10.811 8.875 17.158 780 HD21 LEU 105 3HD2 LEU 105 12.135 6.882 18.227 781 HD22 LEU 105 1HD2 LEU 105 11.150 6.397 19.608 782 HD23 LEU 105 2HD2 LEU 105 12.715 7.168 19.868 783 H ARG 106 H ARG 106 14.599 10.814 20.639 784 HA ARG 106 HA ARG 106 14.678 9.237 23.082 785 HB2 ARG 106 2HB ARG 106 16.319 8.958 21.164 786 HB3 ARG 106 3HB ARG 106 17.010 10.501 21.647 787 HG2 ARG 106 2HG ARG 106 18.110 9.603 23.369 788 HG3 ARG 106 3HG ARG 106 16.737 8.603 23.846 789 HD2 ARG 106 2HD ARG 106 17.327 6.885 22.385 790 HD3 ARG 106 3HD ARG 106 18.351 7.940 21.412 791 HE ARG 106 HE ARG 106 19.542 7.909 23.866 792 HH11 ARG 106 1HH1 ARG 106 18.576 5.478 21.570 793 HH12 ARG 106 2HH1 ARG 106 19.831 4.370 22.016 794 HH21 ARG 106 1HH2 ARG 106 21.200 6.460 24.463 795 HH22 ARG 106 2HH2 ARG 106 21.323 4.930 23.663 796 H PHE 107 H PHE 107 16.245 12.290 22.101 797 HA PHE 107 HA PHE 107 16.434 13.147 24.843 798 HB2 PHE 107 2HB PHE 107 17.533 13.967 22.270 799 HB3 PHE 107 3HB PHE 107 17.052 15.341 23.261 800 HD1 PHE 107 HD1 PHE 107 18.100 15.726 25.441 801 HD2 PHE 107 HD2 PHE 107 19.386 12.589 22.867 802 HE1 PHE 107 HE1 PHE 107 20.182 15.520 26.737 803 HE2 PHE 107 HE2 PHE 107 21.469 12.378 24.159 804 HZ PHE 107 HZ PHE 107 21.869 13.844 26.097 805 H GLU 108 H GLU 108 15.842 15.612 25.178 806 HA GLU 108 HA GLU 108 12.979 15.735 24.976 807 HB2 GLU 108 2HB GLU 108 13.116 17.665 26.369 808 HB3 GLU 108 3HB GLU 108 14.307 16.516 26.963 809 HG2 GLU 108 2HG GLU 108 15.785 17.971 25.204 810 HG3 GLU 108 3HG GLU 108 14.666 19.184 25.823 811 HA PRO 109 HA PRO 109 12.620 18.088 21.278 812 HB2 PRO 109 2HB PRO 109 10.240 19.305 21.750 813 HB3 PRO 109 3HB PRO 109 10.379 17.589 21.352 814 HG2 PRO 109 2HG PRO 109 10.043 18.892 24.026 815 HG3 PRO 109 3HG PRO 109 9.248 17.445 23.379 816 HD2 PRO 109 2HD PRO 109 11.340 17.315 25.094 817 HD3 PRO 109 3HD PRO 109 11.058 16.093 23.837 818 H THR 110 H THR 110 11.761 20.458 20.698 819 HA THR 110 HA THR 110 12.465 22.479 22.626 820 HB THR 110 HB THR 110 14.144 22.468 20.134 821 HG1 THR 110 HG1 THR 110 15.695 21.310 21.173 822 HG21 THR 110 3HG2 THR 110 15.609 23.878 21.540 823 HG22 THR 110 1HG2 THR 110 14.438 23.751 22.852 824 HG23 THR 110 2HG2 THR 110 13.995 24.562 21.350 Start of MODEL 8 1 H1 MET 1 H MET 1 4.195 6.331 -6.247 2 HA MET 1 HA MET 1 5.914 4.380 -6.965 3 HB2 MET 1 2HB MET 1 7.006 7.045 -7.694 4 HB3 MET 1 3HB MET 1 8.117 5.900 -6.956 5 HG2 MET 1 2HG MET 1 7.903 4.378 -8.706 6 HG3 MET 1 3HG MET 1 6.418 5.123 -9.293 7 HE1 MET 1 3HE MET 1 10.602 5.697 -10.479 8 HE2 MET 1 1HE MET 1 10.466 6.597 -8.968 9 HE3 MET 1 2HE MET 1 9.989 4.900 -9.029 10 H LEU 2 H LEU 2 6.405 3.498 -5.074 11 HA LEU 2 HA LEU 2 7.349 5.184 -2.885 12 HB2 LEU 2 2HB LEU 2 4.723 4.264 -2.996 13 HB3 LEU 2 3HB LEU 2 5.539 3.159 -1.892 14 HG LEU 2 HG LEU 2 5.586 6.156 -1.575 15 HD11 LEU 2 1HD1 LEU 2 3.530 6.110 -0.755 16 HD12 LEU 2 2HD1 LEU 2 3.992 4.852 0.391 17 HD13 LEU 2 3HD1 LEU 2 3.394 4.411 -1.208 18 HD21 LEU 2 3HD2 LEU 2 6.704 3.851 -0.121 19 HD22 LEU 2 1HD2 LEU 2 5.938 5.089 0.876 20 HD23 LEU 2 2HD2 LEU 2 7.261 5.523 -0.207 21 H GLN 3 H GLN 3 8.557 4.066 -1.298 22 HA GLN 3 HA GLN 3 9.390 1.360 -2.113 23 HB2 GLN 3 2HB GLN 3 10.965 3.740 -1.252 24 HB3 GLN 3 3HB GLN 3 11.551 2.149 -0.783 25 HG2 GLN 3 2HG GLN 3 12.492 1.943 -2.768 26 HG3 GLN 3 3HG GLN 3 10.893 1.982 -3.509 27 HE21 GLN 3 1HE2 GLN 3 13.544 3.044 -4.358 28 HE22 GLN 3 2HE2 GLN 3 13.262 4.711 -4.712 29 H GLU 4 H GLU 4 10.666 0.321 -0.148 30 HA GLU 4 HA GLU 4 8.739 -0.149 1.865 31 HB2 GLU 4 2HB GLU 4 10.839 -1.553 0.961 32 HB3 GLU 4 3HB GLU 4 11.574 -0.852 2.395 33 HG2 GLU 4 2HG GLU 4 9.386 -1.724 3.551 34 HG3 GLU 4 3HG GLU 4 9.354 -2.814 2.166 35 H ARG 5 H ARG 5 11.586 1.895 1.698 36 HA ARG 5 HA ARG 5 11.984 2.492 4.366 37 HB2 ARG 5 2HB ARG 5 13.442 3.256 2.519 38 HB3 ARG 5 3HB ARG 5 12.203 4.407 2.038 39 HG2 ARG 5 2HG ARG 5 13.988 5.467 3.321 40 HG3 ARG 5 3HG ARG 5 12.434 5.578 4.148 41 HD2 ARG 5 2HD ARG 5 13.250 4.525 5.926 42 HD3 ARG 5 3HD ARG 5 13.785 3.173 4.929 43 HE ARG 5 HE ARG 5 15.681 5.074 4.516 44 HH11 ARG 5 1HH1 ARG 5 14.321 3.579 7.351 45 HH12 ARG 5 2HH1 ARG 5 15.771 3.734 8.287 46 HH21 ARG 5 1HH2 ARG 5 17.595 5.283 5.738 47 HH22 ARG 5 2HH2 ARG 5 17.632 4.704 7.369 48 H VAL 6 H VAL 6 11.331 4.293 5.669 49 HA VAL 6 HA VAL 6 8.571 5.141 5.100 50 HB VAL 6 HB VAL 6 9.960 5.124 7.780 51 HG11 VAL 6 1HG1 VAL 6 7.256 5.872 6.818 52 HG12 VAL 6 2HG1 VAL 6 7.371 5.049 8.375 53 HG13 VAL 6 3HG1 VAL 6 8.231 6.567 8.112 54 HG21 VAL 6 3HG2 VAL 6 8.365 3.033 6.362 55 HG22 VAL 6 1HG2 VAL 6 9.829 2.865 7.332 56 HG23 VAL 6 2HG2 VAL 6 8.278 3.159 8.119 57 H PHE 7 H PHE 7 7.953 7.289 5.402 58 HA PHE 7 HA PHE 7 10.184 9.202 5.346 59 HB2 PHE 7 2HB PHE 7 7.430 9.225 4.153 60 HB3 PHE 7 3HB PHE 7 8.285 10.739 4.432 61 HD1 PHE 7 HD2 PHE 7 10.845 10.625 3.582 62 HD2 PHE 7 HD1 PHE 7 7.594 8.342 2.053 63 HE1 PHE 7 HE2 PHE 7 12.051 10.337 1.457 64 HE2 PHE 7 HE1 PHE 7 8.795 8.049 -0.074 65 HZ PHE 7 HZ PHE 7 11.026 9.048 -0.375 66 H HIS 8 H HIS 8 10.457 10.578 6.975 67 HA HIS 8 HA HIS 8 8.199 11.050 8.807 68 HB2 HIS 8 2HB HIS 8 10.110 9.523 9.649 69 HB3 HIS 8 3HB HIS 8 11.059 11.004 9.741 70 HD1 HIS 8 HD1 HIS 8 11.155 11.655 12.120 71 HD2 HIS 8 HD2 HIS 8 7.373 10.317 11.040 72 HE1 HIS 8 HE1 HIS 8 9.725 11.956 14.167 73 H ILE 9 H ILE 9 8.504 13.053 10.145 74 HA ILE 9 HA ILE 9 8.715 15.305 8.556 75 HB ILE 9 HB ILE 9 7.590 15.398 10.691 76 HG12 ILE 9 2HG1 ILE 9 9.673 17.290 11.429 77 HG13 ILE 9 3HG1 ILE 9 9.321 17.345 9.705 78 HG21 ILE 9 1HG2 ILE 9 9.153 13.838 11.853 79 HG22 ILE 9 2HG2 ILE 9 10.287 15.178 12.013 80 HG23 ILE 9 3HG2 ILE 9 8.711 15.258 12.800 81 HD11 ILE 9 3HD1 ILE 9 7.832 18.878 10.495 82 HD12 ILE 9 1HD1 ILE 9 6.839 17.421 10.540 83 HD13 ILE 9 2HD1 ILE 9 7.589 18.024 12.019 84 H ASN 10 H ASN 10 11.188 13.739 10.529 85 HA ASN 10 HA ASN 10 13.168 15.734 10.222 86 HB2 ASN 10 2HB ASN 10 13.045 12.965 11.229 87 HB3 ASN 10 3HB ASN 10 14.617 13.457 10.604 88 HD21 ASN 10 1HD2 ASN 10 14.922 12.960 13.024 89 HD22 ASN 10 2HD2 ASN 10 14.841 14.329 14.074 90 H ASP 11 H ASP 11 12.604 12.670 8.508 91 HA ASP 11 HA ASP 11 13.456 11.844 6.555 92 HB2 ASP 11 2HB ASP 11 12.029 14.069 6.014 93 HB3 ASP 11 3HB ASP 11 13.586 14.544 5.341 94 H ARG 12 H ARG 12 15.511 11.213 7.205 95 HA ARG 12 HA ARG 12 17.709 13.060 7.240 96 HB2 ARG 12 2HB ARG 12 19.080 10.978 7.547 97 HB3 ARG 12 3HB ARG 12 17.818 11.212 8.749 98 HG2 ARG 12 2HG ARG 12 16.937 9.241 8.269 99 HG3 ARG 12 3HG ARG 12 16.784 9.681 6.567 100 HD2 ARG 12 2HD ARG 12 18.135 7.702 6.739 101 HD3 ARG 12 3HD ARG 12 19.158 9.049 6.241 102 HE ARG 12 HE ARG 12 20.349 8.798 8.172 103 HH11 ARG 12 1HH1 ARG 12 17.282 7.189 8.526 104 HH12 ARG 12 2HH1 ARG 12 17.681 6.485 10.058 105 HH21 ARG 12 1HH2 ARG 12 20.886 7.877 10.189 106 HH22 ARG 12 2HH2 ARG 12 19.730 6.878 11.004 107 H VAL 13 H VAL 13 18.329 13.922 5.355 108 HA VAL 13 HA VAL 13 19.177 12.106 3.232 109 HB VAL 13 HB VAL 13 18.138 13.501 1.482 110 HG11 VAL 13 1HG1 VAL 13 15.841 12.698 1.784 111 HG12 VAL 13 2HG1 VAL 13 17.026 11.462 2.211 112 HG13 VAL 13 3HG1 VAL 13 16.188 12.357 3.479 113 HG21 VAL 13 3HG2 VAL 13 16.164 14.744 3.222 114 HG22 VAL 13 1HG2 VAL 13 17.799 15.347 3.497 115 HG23 VAL 13 2HG2 VAL 13 17.087 15.432 1.886 116 H TRP 14 H TRP 14 20.313 13.438 1.448 117 HA TRP 14 HA TRP 14 21.885 15.576 2.731 118 HB2 TRP 14 2HB TRP 14 22.809 13.103 1.823 119 HB3 TRP 14 3HB TRP 14 23.275 14.240 0.560 120 HD1 TRP 14 HD1 TRP 14 23.248 15.039 4.336 121 HE1 TRP 14 HE1 TRP 14 25.649 15.635 5.047 122 HE3 TRP 14 HE3 TRP 14 25.666 14.038 -0.056 123 HZ2 TRP 14 HZ2 TRP 14 28.227 15.676 3.897 124 HZ3 TRP 14 HZ3 TRP 14 28.099 14.382 -0.167 125 HH2 TRP 14 HH2 TRP 14 29.352 15.185 1.769 126 H LEU 15 H LEU 15 22.077 17.456 1.662 127 HA LEU 15 HA LEU 15 21.041 17.567 -1.095 128 HB2 LEU 15 2HB LEU 15 19.733 18.688 0.830 129 HB3 LEU 15 3HB LEU 15 21.014 19.898 0.787 130 HG LEU 15 HG LEU 15 19.733 19.316 -1.803 131 HD11 LEU 15 1HD1 LEU 15 17.628 19.585 -1.167 132 HD12 LEU 15 2HD1 LEU 15 18.042 21.199 -0.591 133 HD13 LEU 15 3HD1 LEU 15 18.121 19.823 0.509 134 HD21 LEU 15 3HD2 LEU 15 21.464 21.159 -0.980 135 HD22 LEU 15 1HD2 LEU 15 19.969 22.021 -0.614 136 HD23 LEU 15 2HD2 LEU 15 20.290 21.472 -2.260 137 H LYS 16 H LYS 16 22.428 18.219 -2.595 138 HA LYS 16 HA LYS 16 24.988 19.351 -1.755 139 HB2 LYS 16 2HB LYS 16 24.221 17.496 -3.735 140 HB3 LYS 16 3HB LYS 16 24.777 18.925 -4.596 141 HG2 LYS 16 2HG LYS 16 26.392 17.698 -2.390 142 HG3 LYS 16 3HG LYS 16 26.488 17.112 -4.052 143 HD2 LYS 16 2HD LYS 16 27.999 18.706 -4.428 144 HD3 LYS 16 3HD LYS 16 26.696 19.884 -4.256 145 HE2 LYS 16 2HE LYS 16 28.105 20.691 -2.665 146 HE3 LYS 16 3HE LYS 16 27.233 19.518 -1.680 147 HZ1 LYS 16 3HZ LYS 16 29.067 17.915 -2.329 148 HZ2 LYS 16 1HZ LYS 16 29.481 19.141 -1.239 149 HZ3 LYS 16 2HZ LYS 16 29.931 19.267 -2.864 150 H THR 17 H THR 17 25.176 21.483 -1.710 151 HA THR 17 HA THR 17 23.360 23.298 -2.821 152 HB THR 17 HB THR 17 26.236 24.002 -2.269 153 HG1 THR 17 HG1 THR 17 25.605 24.205 -0.069 154 HG21 THR 17 3HG2 THR 17 25.513 26.145 -2.084 155 HG22 THR 17 1HG2 THR 17 23.963 25.676 -1.385 156 HG23 THR 17 2HG2 THR 17 24.217 25.560 -3.127 157 H GLY 18 H GLY 18 26.459 22.090 -4.036 158 HA2 GLY 18 2HA GLY 18 26.710 21.767 -6.427 159 HA3 GLY 18 3HA GLY 18 25.745 23.216 -6.668 160 H ALA 19 H ALA 19 28.482 22.687 -4.477 161 HA ALA 19 HA ALA 19 30.476 23.874 -6.016 162 HB1 ALA 19 1HB ALA 19 29.481 25.950 -6.092 163 HB2 ALA 19 2HB ALA 19 28.789 25.797 -4.477 164 HB3 ALA 19 3HB ALA 19 30.514 26.107 -4.671 165 H ASN 20 H ASN 20 30.558 21.756 -4.393 166 HA ASN 20 HA ASN 20 31.807 20.785 -2.758 167 HB2 ASN 20 2HB ASN 20 33.157 23.296 -3.316 168 HB3 ASN 20 3HB ASN 20 33.367 22.810 -1.636 169 HD21 ASN 20 1HD2 ASN 20 34.907 21.401 -1.197 170 HD22 ASN 20 2HD2 ASN 20 35.720 20.403 -2.349 171 H THR 21 H THR 21 29.341 22.611 -2.252 172 HA THR 21 HA THR 21 29.612 22.625 0.684 173 HB THR 21 HB THR 21 27.571 24.414 -0.477 174 HG1 THR 21 HG1 THR 21 29.339 26.021 -0.799 175 HG21 THR 21 3HG2 THR 21 29.711 24.938 1.583 176 HG22 THR 21 1HG2 THR 21 28.157 24.195 1.959 177 HG23 THR 21 2HG2 THR 21 28.218 25.840 1.327 178 H TRP 22 H TRP 22 28.213 21.383 1.746 179 HA TRP 22 HA TRP 22 25.729 20.584 0.379 180 HB2 TRP 22 2HB TRP 22 25.931 18.356 1.269 181 HB3 TRP 22 3HB TRP 22 27.436 18.754 0.446 182 HD1 TRP 22 HD1 TRP 22 29.628 18.639 1.840 183 HE1 TRP 22 HE1 TRP 22 30.174 18.052 4.286 184 HE3 TRP 22 HE3 TRP 22 24.883 18.588 3.743 185 HZ2 TRP 22 HZ2 TRP 22 28.779 17.623 6.702 186 HZ3 TRP 22 HZ3 TRP 22 24.575 18.080 6.131 187 HH2 TRP 22 HH2 TRP 22 26.484 17.607 7.578 188 H TRP 23 H TRP 23 23.880 20.558 1.582 189 HA TRP 23 HA TRP 23 24.112 21.194 4.443 190 HB2 TRP 23 2HB TRP 23 22.300 22.547 2.435 191 HB3 TRP 23 3HB TRP 23 22.162 22.740 4.180 192 HD1 TRP 23 HD1 TRP 23 25.069 23.120 1.615 193 HE1 TRP 23 HE1 TRP 23 26.351 25.274 2.201 194 HE3 TRP 23 HE3 TRP 23 22.347 24.604 5.680 195 HZ2 TRP 23 HZ2 TRP 23 26.225 27.330 4.131 196 HZ3 TRP 23 HZ3 TRP 23 22.993 26.676 6.840 197 HH2 TRP 23 HH2 TRP 23 24.892 28.008 6.080 198 HA PRO 24 HA PRO 24 21.197 17.955 5.025 199 HB2 PRO 24 2HB PRO 24 20.101 18.735 7.382 200 HB3 PRO 24 3HB PRO 24 21.732 18.066 7.257 201 HG2 PRO 24 2HG PRO 24 20.868 20.925 7.456 202 HG3 PRO 24 3HG PRO 24 22.206 20.101 8.276 203 HD2 PRO 24 2HD PRO 24 22.576 21.663 6.096 204 HD3 PRO 24 3HD PRO 24 23.589 20.246 6.438 205 H ALA 25 H ALA 25 19.128 17.504 4.478 206 HA ALA 25 HA ALA 25 17.239 19.759 4.289 207 HB1 ALA 25 1HB ALA 25 16.985 19.407 2.115 208 HB2 ALA 25 2HB ALA 25 18.271 18.201 2.186 209 HB3 ALA 25 3HB ALA 25 16.590 17.711 2.401 210 H LYS 26 H LYS 26 15.276 19.471 5.169 211 HA LYS 26 HA LYS 26 14.494 16.746 5.966 212 HB2 LYS 26 2HB LYS 26 13.662 17.573 8.078 213 HB3 LYS 26 3HB LYS 26 15.352 18.028 7.910 214 HG2 LYS 26 2HG LYS 26 14.653 20.052 8.539 215 HG3 LYS 26 3HG LYS 26 14.101 20.207 6.870 216 HD2 LYS 26 2HD LYS 26 12.031 20.479 7.637 217 HD3 LYS 26 3HD LYS 26 12.076 18.819 8.234 218 HE2 LYS 26 2HE LYS 26 12.604 19.466 10.382 219 HE3 LYS 26 3HE LYS 26 13.320 20.990 9.859 220 HZ1 LYS 26 3HZ LYS 26 11.405 21.986 10.278 221 HZ2 LYS 26 1HZ LYS 26 10.715 20.521 10.767 222 HZ3 LYS 26 2HZ LYS 26 10.615 21.005 9.149 223 H VAL 27 H VAL 27 12.522 16.169 5.325 224 HA VAL 27 HA VAL 27 10.827 18.151 4.036 225 HB VAL 27 HB VAL 27 10.340 15.182 4.266 226 HG11 VAL 27 1HG1 VAL 27 9.337 16.264 1.871 227 HG12 VAL 27 2HG1 VAL 27 8.422 15.657 3.252 228 HG13 VAL 27 3HG1 VAL 27 8.854 17.365 3.160 229 HG21 VAL 27 3HG2 VAL 27 12.207 16.705 2.578 230 HG22 VAL 27 1HG2 VAL 27 12.228 15.006 3.051 231 HG23 VAL 27 2HG2 VAL 27 11.196 15.539 1.724 232 H THR 28 H THR 28 9.225 19.132 5.060 233 HA THR 28 HA THR 28 8.367 18.225 7.667 234 HB THR 28 HB THR 28 8.652 20.601 7.378 235 HG1 THR 28 HG1 THR 28 6.925 20.971 8.550 236 HG21 THR 28 3HG2 THR 28 8.353 21.097 5.136 237 HG22 THR 28 1HG2 THR 28 6.880 21.754 5.848 238 HG23 THR 28 2HG2 THR 28 6.844 20.191 5.030 239 H SER 29 H SER 29 7.511 17.432 4.577 240 HA SER 29 HA SER 29 5.767 16.286 3.670 241 HB2 SER 29 2HB SER 29 5.964 15.238 6.114 242 HB3 SER 29 3HB SER 29 4.379 15.990 6.293 243 HG SER 29 HG SER 29 3.726 14.222 5.351 244 H VAL 30 H VAL 30 5.519 18.874 3.299 245 HA VAL 30 HA VAL 30 2.697 19.473 3.908 246 HB VAL 30 HB VAL 30 4.955 21.450 3.554 247 HG11 VAL 30 1HG1 VAL 30 3.152 23.081 4.304 248 HG12 VAL 30 2HG1 VAL 30 3.037 22.471 2.652 249 HG13 VAL 30 3HG1 VAL 30 1.993 21.811 3.912 250 HG21 VAL 30 3HG2 VAL 30 4.849 20.170 5.728 251 HG22 VAL 30 1HG2 VAL 30 4.755 21.926 5.868 252 HG23 VAL 30 2HG2 VAL 30 3.293 20.949 6.014 253 H THR 31 H THR 31 1.498 19.248 2.147 254 HA THR 31 HA THR 31 2.611 19.310 -0.493 255 HB THR 31 HB THR 31 0.777 17.796 -0.034 256 HG1 THR 31 HG1 THR 31 -0.675 18.576 -1.751 257 HG21 THR 31 3HG2 THR 31 -1.348 19.787 0.085 258 HG22 THR 31 1HG2 THR 31 -0.269 19.853 1.477 259 HG23 THR 31 2HG2 THR 31 -1.093 18.348 1.071 260 H GLY 32 H GLY 32 1.636 20.658 -2.242 261 HA2 GLY 32 2HA GLY 32 1.166 23.402 -1.248 262 HA3 GLY 32 3HA GLY 32 2.059 23.036 -2.717 263 H VAL 33 H VAL 33 -0.942 21.499 -1.695 264 HA VAL 33 HA VAL 33 -2.499 23.054 -3.593 265 HB VAL 33 HB VAL 33 -2.158 20.068 -3.904 266 HG11 VAL 33 1HG1 VAL 33 -4.350 21.808 -4.586 267 HG12 VAL 33 2HG1 VAL 33 -3.644 21.090 -6.036 268 HG13 VAL 33 3HG1 VAL 33 -4.223 20.055 -4.730 269 HG21 VAL 33 3HG2 VAL 33 -1.384 20.690 -6.182 270 HG22 VAL 33 1HG2 VAL 33 -1.429 22.384 -5.691 271 HG23 VAL 33 2HG2 VAL 33 -0.323 21.264 -4.896 272 H GLU 34 H GLU 34 -2.990 19.830 -2.182 273 HA GLU 34 HA GLU 34 -4.510 20.583 0.026 274 HB2 GLU 34 2HB GLU 34 -6.801 19.942 -0.897 275 HB3 GLU 34 3HB GLU 34 -6.178 21.525 -1.341 276 HG2 GLU 34 2HG GLU 34 -6.053 21.014 -3.519 277 HG3 GLU 34 3HG GLU 34 -5.505 19.367 -3.209 278 H GLY 35 H GLY 35 -2.609 18.596 -0.798 279 HA2 GLY 35 2HA GLY 35 -2.282 16.436 0.064 280 HA3 GLY 35 3HA GLY 35 -4.024 16.245 0.188 281 H VAL 36 H VAL 36 -1.931 17.087 -2.563 282 HA VAL 36 HA VAL 36 -3.325 15.120 -4.190 283 HB VAL 36 HB VAL 36 -1.157 17.069 -4.983 284 HG11 VAL 36 1HG1 VAL 36 -2.011 16.631 -7.281 285 HG12 VAL 36 2HG1 VAL 36 -1.245 15.232 -6.525 286 HG13 VAL 36 3HG1 VAL 36 -3.004 15.334 -6.616 287 HG21 VAL 36 3HG2 VAL 36 -3.257 18.122 -4.141 288 HG22 VAL 36 1HG2 VAL 36 -2.895 18.484 -5.829 289 HG23 VAL 36 2HG2 VAL 36 -4.131 17.292 -5.428 290 H ASP 37 H ASP 37 -0.406 15.414 -2.431 291 HA ASP 37 HA ASP 37 1.342 13.800 -3.879 292 HB2 ASP 37 2HB ASP 37 2.162 15.036 -1.996 293 HB3 ASP 37 3HB ASP 37 1.054 14.214 -0.901 294 H GLY 38 H GLY 38 -1.482 12.974 -2.071 295 HA2 GLY 38 2HA GLY 38 -0.777 10.171 -1.820 296 HA3 GLY 38 3HA GLY 38 -2.291 10.916 -1.331 297 H ARG 39 H ARG 39 -2.246 12.163 -4.174 298 HA ARG 39 HA ARG 39 -3.316 9.779 -5.539 299 HB2 ARG 39 2HB ARG 39 -4.816 11.436 -6.744 300 HB3 ARG 39 3HB ARG 39 -5.175 11.156 -5.045 301 HG2 ARG 39 2HG ARG 39 -3.883 13.229 -4.516 302 HG3 ARG 39 3HG ARG 39 -3.779 13.530 -6.251 303 HD2 ARG 39 2HD ARG 39 -5.632 14.749 -5.130 304 HD3 ARG 39 3HD ARG 39 -6.165 13.682 -6.429 305 HE ARG 39 HE ARG 39 -6.241 12.486 -3.809 306 HH11 ARG 39 1HH1 ARG 39 -7.973 14.372 -6.168 307 HH12 ARG 39 2HH1 ARG 39 -9.536 13.956 -5.545 308 HH21 ARG 39 1HH2 ARG 39 -8.292 11.931 -2.980 309 HH22 ARG 39 2HH2 ARG 39 -9.716 12.568 -3.731 310 H SER 40 H SER 40 -0.596 10.837 -5.639 311 HA SER 40 HA SER 40 1.044 11.152 -7.185 312 HB2 SER 40 2HB SER 40 -0.983 9.736 -8.551 313 HB3 SER 40 3HB SER 40 -0.440 11.007 -9.646 314 HG SER 40 HG SER 40 1.759 10.226 -9.018 315 H SER 41 H SER 41 1.913 12.761 -8.570 316 HA SER 41 HA SER 41 0.641 15.313 -8.271 317 HB2 SER 41 2HB SER 41 3.208 14.647 -8.310 318 HB3 SER 41 3HB SER 41 3.024 14.957 -10.036 319 HG SER 41 HG SER 41 3.643 16.795 -8.645 320 H GLU 42 H GLU 42 0.703 12.887 -10.687 321 HA GLU 42 HA GLU 42 0.357 14.379 -13.021 322 HB2 GLU 42 2HB GLU 42 -0.587 12.378 -13.994 323 HB3 GLU 42 3HB GLU 42 0.759 11.934 -12.954 324 HG2 GLU 42 2HG GLU 42 -0.552 10.531 -11.869 325 HG3 GLU 42 3HG GLU 42 -1.574 11.877 -11.367 326 H THR 43 H THR 43 -1.776 13.834 -10.378 327 HA THR 43 HA THR 43 -4.250 14.241 -11.682 328 HB THR 43 HB THR 43 -3.494 14.767 -8.801 329 HG1 THR 43 HG1 THR 43 -4.888 12.551 -9.921 330 HG21 THR 43 3HG2 THR 43 -5.984 14.469 -8.448 331 HG22 THR 43 1HG2 THR 43 -6.167 14.667 -10.190 332 HG23 THR 43 2HG2 THR 43 -5.494 15.977 -9.220 333 H GLY 44 H GLY 44 -2.175 16.478 -9.836 334 HA2 GLY 44 2HA GLY 44 -3.219 18.680 -11.463 335 HA3 GLY 44 3HA GLY 44 -3.398 18.795 -9.719 336 H THR 45 H THR 45 -1.532 19.012 -8.414 337 HA THR 45 HA THR 45 1.060 19.296 -9.645 338 HB THR 45 HB THR 45 1.209 21.701 -8.586 339 HG1 THR 45 HG1 THR 45 -1.559 21.272 -8.982 340 HG21 THR 45 3HG2 THR 45 1.384 20.924 -11.038 341 HG22 THR 45 1HG2 THR 45 1.002 22.617 -10.728 342 HG23 THR 45 2HG2 THR 45 -0.278 21.494 -11.187 343 H SER 46 H SER 46 0.868 17.494 -7.911 344 HA SER 46 HA SER 46 0.839 18.211 -5.173 345 HB2 SER 46 2HB SER 46 0.376 15.949 -5.601 346 HB3 SER 46 3HB SER 46 1.758 15.775 -6.681 347 HG SER 46 HG SER 46 2.981 15.346 -5.025 348 H THR 47 H THR 47 2.264 19.640 -4.402 349 HA THR 47 HA THR 47 5.117 19.206 -5.009 350 HB THR 47 HB THR 47 5.542 21.541 -4.853 351 HG1 THR 47 HG1 THR 47 4.231 22.223 -3.209 352 HG21 THR 47 3HG2 THR 47 2.974 21.720 -6.327 353 HG22 THR 47 1HG2 THR 47 4.140 20.520 -6.882 354 HG23 THR 47 2HG2 THR 47 4.593 22.223 -6.810 355 H VAL 48 H VAL 48 6.358 18.696 -3.332 356 HA VAL 48 HA VAL 48 5.259 18.964 -0.632 357 HB VAL 48 HB VAL 48 7.699 17.439 -1.555 358 HG11 VAL 48 1HG1 VAL 48 6.223 17.375 1.076 359 HG12 VAL 48 2HG1 VAL 48 7.608 16.374 0.635 360 HG13 VAL 48 3HG1 VAL 48 7.796 18.120 0.795 361 HG21 VAL 48 3HG2 VAL 48 5.883 15.576 -0.757 362 HG22 VAL 48 1HG2 VAL 48 4.841 16.782 -1.512 363 HG23 VAL 48 2HG2 VAL 48 6.160 16.055 -2.431 364 H THR 49 H THR 49 5.762 20.773 0.406 365 HA THR 49 HA THR 49 8.190 22.232 -0.219 366 HB THR 49 HB THR 49 6.173 22.936 1.911 367 HG1 THR 49 HG1 THR 49 4.866 23.654 0.388 368 HG21 THR 49 3HG2 THR 49 6.951 25.268 1.206 369 HG22 THR 49 1HG2 THR 49 8.280 24.448 0.388 370 HG23 THR 49 2HG2 THR 49 8.086 24.288 2.133 371 H VAL 50 H VAL 50 10.043 21.987 0.832 372 HA VAL 50 HA VAL 50 9.981 20.816 3.538 373 HB VAL 50 HB VAL 50 12.054 19.730 3.137 374 HG11 VAL 50 1HG1 VAL 50 9.986 18.704 2.155 375 HG12 VAL 50 2HG1 VAL 50 10.482 19.362 0.594 376 HG13 VAL 50 3HG1 VAL 50 11.499 18.179 1.418 377 HG21 VAL 50 3HG2 VAL 50 13.014 19.987 0.700 378 HG22 VAL 50 1HG2 VAL 50 12.194 21.546 0.781 379 HG23 VAL 50 2HG2 VAL 50 13.434 21.140 1.967 380 H LEU 51 H LEU 51 11.433 21.616 5.084 381 HA LEU 51 HA LEU 51 12.898 24.057 4.379 382 HB2 LEU 51 2HB LEU 51 10.649 24.586 5.365 383 HB3 LEU 51 3HB LEU 51 11.195 23.810 6.850 384 HG LEU 51 HG LEU 51 13.075 25.517 6.880 385 HD11 LEU 51 1HD1 LEU 51 13.309 26.814 5.096 386 HD12 LEU 51 2HD1 LEU 51 11.792 27.600 5.531 387 HD13 LEU 51 3HD1 LEU 51 11.789 26.239 4.410 388 HD21 LEU 51 3HD2 LEU 51 10.318 26.703 7.088 389 HD22 LEU 51 1HD2 LEU 51 11.756 27.107 8.026 390 HD23 LEU 51 2HD2 LEU 51 10.958 25.551 8.261 391 H THR 52 H THR 52 14.950 23.585 4.802 392 HA THR 52 HA THR 52 15.783 21.593 6.637 393 HB THR 52 HB THR 52 17.998 22.136 6.066 394 HG1 THR 52 HG1 THR 52 18.501 24.186 6.174 395 HG21 THR 52 3HG2 THR 52 17.981 21.961 3.772 396 HG22 THR 52 1HG2 THR 52 16.706 23.162 3.580 397 HG23 THR 52 2HG2 THR 52 16.310 21.536 4.137 398 H TYR 53 H TYR 53 17.867 22.569 8.058 399 HA TYR 53 HA TYR 53 16.519 24.270 10.035 400 HB2 TYR 53 2HB TYR 53 18.504 22.071 10.196 401 HB3 TYR 53 3HB TYR 53 18.683 23.375 11.364 402 HD1 TYR 53 HD1 TYR 53 16.198 20.944 10.034 403 HD2 TYR 53 HD2 TYR 53 17.372 23.410 13.296 404 HE1 TYR 53 HE1 TYR 53 14.441 19.931 11.424 405 HE2 TYR 53 HE2 TYR 53 15.619 22.403 14.696 406 HH TYR 53 HH TYR 53 13.343 20.035 13.370 407 HA PRO 54 HA PRO 54 19.223 27.651 9.285 408 HB2 PRO 54 2HB PRO 54 19.240 28.802 11.744 409 HB3 PRO 54 3HB PRO 54 17.847 28.876 10.658 410 HG2 PRO 54 2HG PRO 54 18.338 27.061 12.988 411 HG3 PRO 54 3HG PRO 54 16.853 27.914 12.528 412 HD2 PRO 54 2HD PRO 54 17.251 25.290 11.993 413 HD3 PRO 54 3HD PRO 54 16.298 26.347 10.932 414 H GLY 55 H GLY 55 21.364 27.601 9.048 415 HA2 GLY 55 2HA GLY 55 23.028 25.978 10.733 416 HA3 GLY 55 3HA GLY 55 23.562 26.974 9.388 417 H THR 56 H THR 56 25.238 28.054 10.271 418 HA THR 56 HA THR 56 24.821 29.433 12.829 419 HB THR 56 HB THR 56 26.826 28.038 12.716 420 HG1 THR 56 HG1 THR 56 27.194 29.748 14.016 421 HG21 THR 56 3HG2 THR 56 27.846 27.860 10.731 422 HG22 THR 56 1HG2 THR 56 28.600 29.411 11.098 423 HG23 THR 56 2HG2 THR 56 27.122 29.354 10.138 424 H GLN 57 H GLN 57 25.053 29.977 9.459 425 HA GLN 57 HA GLN 57 24.999 32.872 9.934 426 HB2 GLN 57 2HB GLN 57 27.032 31.379 8.494 427 HB3 GLN 57 3HB GLN 57 26.265 32.585 7.469 428 HG2 GLN 57 2HG GLN 57 26.875 33.704 10.042 429 HG3 GLN 57 3HG GLN 57 28.311 32.974 9.327 430 HE21 GLN 57 1HE2 GLN 57 27.516 35.799 9.801 431 HE22 GLN 57 2HE2 GLN 57 27.679 36.574 8.265 432 H ASN 58 H ASN 58 24.279 30.166 7.800 433 HA ASN 58 HA ASN 58 22.496 31.822 6.192 434 HB2 ASN 58 2HB ASN 58 24.131 29.754 5.503 435 HB3 ASN 58 3HB ASN 58 22.590 28.919 5.677 436 HD21 ASN 58 1HD2 ASN 58 22.326 28.502 3.524 437 HD22 ASN 58 2HD2 ASN 58 22.016 29.733 2.352 438 H LYS 59 H LYS 59 20.287 31.520 6.050 439 HA LYS 59 HA LYS 59 19.092 30.109 8.322 440 HB2 LYS 59 2HB LYS 59 18.655 32.621 7.531 441 HB3 LYS 59 3HB LYS 59 17.459 31.823 6.519 442 HG2 LYS 59 2HG LYS 59 16.322 32.466 8.469 443 HG3 LYS 59 3HG LYS 59 16.595 30.729 8.629 444 HD2 LYS 59 2HD LYS 59 18.753 31.454 9.888 445 HD3 LYS 59 3HD LYS 59 17.917 32.998 10.066 446 HE2 LYS 59 2HE LYS 59 16.322 30.613 10.722 447 HE3 LYS 59 3HE LYS 59 17.688 30.923 11.792 448 HZ1 LYS 59 3HZ LYS 59 15.695 33.002 11.099 449 HZ2 LYS 59 1HZ LYS 59 16.846 33.038 12.338 450 HZ3 LYS 59 2HZ LYS 59 15.526 31.985 12.440 451 H ALA 60 H ALA 60 17.110 28.887 7.994 452 HA ALA 60 HA ALA 60 17.347 26.990 5.921 453 HB1 ALA 60 1HB ALA 60 15.102 26.209 6.728 454 HB2 ALA 60 2HB ALA 60 16.351 26.312 7.969 455 HB3 ALA 60 3HB ALA 60 15.114 27.565 7.856 456 H THR 61 H THR 61 16.295 26.735 4.004 457 HA THR 61 HA THR 61 14.684 29.024 3.093 458 HB THR 61 HB THR 61 15.739 27.112 1.092 459 HG1 THR 61 HG1 THR 61 17.544 27.337 2.467 460 HG21 THR 61 3HG2 THR 61 14.448 29.234 0.618 461 HG22 THR 61 1HG2 THR 61 15.981 29.068 -0.237 462 HG23 THR 61 2HG2 THR 61 15.866 30.122 1.173 463 H TYR 62 H TYR 62 12.735 28.704 2.057 464 HA TYR 62 HA TYR 62 11.612 25.995 2.314 465 HB2 TYR 62 2HB TYR 62 9.386 27.258 2.239 466 HB3 TYR 62 3HB TYR 62 10.356 27.436 3.696 467 HD1 TYR 62 HD2 TYR 62 11.528 29.545 4.159 468 HD2 TYR 62 HD1 TYR 62 8.993 29.122 0.768 469 HE1 TYR 62 HE2 TYR 62 11.466 31.991 3.908 470 HE2 TYR 62 HE1 TYR 62 8.925 31.567 0.507 471 HH TYR 62 HH TYR 62 9.445 33.535 1.450 472 H LYS 63 H LYS 63 11.332 24.928 0.484 473 HA LYS 63 HA LYS 63 10.484 26.390 -1.912 474 HB2 LYS 63 2HB LYS 63 12.956 26.019 -1.997 475 HB3 LYS 63 3HB LYS 63 12.656 24.287 -1.931 476 HG2 LYS 63 2HG LYS 63 13.059 24.927 -4.203 477 HG3 LYS 63 3HG LYS 63 11.362 24.473 -4.031 478 HD2 LYS 63 2HD LYS 63 10.643 26.531 -4.559 479 HD3 LYS 63 3HD LYS 63 11.871 27.314 -3.562 480 HE2 LYS 63 2HE LYS 63 12.478 26.068 -6.234 481 HE3 LYS 63 3HE LYS 63 11.998 27.755 -6.051 482 HZ1 LYS 63 3HZ LYS 63 14.537 26.559 -5.619 483 HZ2 LYS 63 1HZ LYS 63 14.016 27.362 -4.224 484 HZ3 LYS 63 2HZ LYS 63 14.126 28.198 -5.690 485 H ASN 64 H ASN 64 9.024 25.330 -3.169 486 HA ASN 64 HA ASN 64 8.055 22.764 -2.137 487 HB2 ASN 64 2HB ASN 64 6.021 23.278 -3.518 488 HB3 ASN 64 3HB ASN 64 6.346 24.450 -2.244 489 HD21 ASN 64 1HD2 ASN 64 6.870 26.525 -2.770 490 HD22 ASN 64 2HD2 ASN 64 6.807 27.142 -4.383 491 H VAL 65 H VAL 65 8.525 20.954 -3.180 492 HA VAL 65 HA VAL 65 8.681 20.928 -6.086 493 HB VAL 65 HB VAL 65 10.832 19.804 -6.166 494 HG11 VAL 65 1HG1 VAL 65 10.990 22.379 -4.601 495 HG12 VAL 65 2HG1 VAL 65 12.278 21.682 -5.586 496 HG13 VAL 65 3HG1 VAL 65 10.789 22.244 -6.347 497 HG21 VAL 65 3HG2 VAL 65 12.190 20.038 -3.910 498 HG22 VAL 65 1HG2 VAL 65 10.577 19.922 -3.206 499 HG23 VAL 65 2HG2 VAL 65 11.184 18.627 -4.238 500 H ASP 66 H ASP 66 8.605 18.787 -6.988 501 HA ASP 66 HA ASP 66 6.783 17.084 -5.764 502 HB2 ASP 66 2HB ASP 66 7.131 17.013 -8.153 503 HB3 ASP 66 3HB ASP 66 8.804 16.507 -7.937 504 H SER 67 H SER 67 10.282 17.130 -5.618 505 HA SER 67 HA SER 67 10.432 15.714 -3.215 506 HB2 SER 67 2HB SER 67 10.039 14.007 -5.445 507 HB3 SER 67 3HB SER 67 11.716 13.812 -4.935 508 HG SER 67 HG SER 67 10.933 12.613 -3.408 509 H HIS 68 H HIS 68 12.049 16.372 -6.287 510 HA HIS 68 HA HIS 68 14.105 17.211 -6.779 511 HB2 HIS 68 2HB HIS 68 13.415 18.354 -4.215 512 HB3 HIS 68 3HB HIS 68 15.155 18.110 -4.337 513 HD1 HIS 68 HD1 HIS 68 13.028 19.037 -7.297 514 HD2 HIS 68 HD2 HIS 68 15.771 20.781 -4.709 515 HE1 HIS 68 HE1 HIS 68 13.565 21.281 -8.299 516 H SER 69 H SER 69 13.674 14.457 -5.576 517 HA SER 69 HA SER 69 15.889 13.708 -4.039 518 HB2 SER 69 2HB SER 69 14.160 12.125 -4.138 519 HB3 SER 69 3HB SER 69 14.066 12.200 -5.898 520 HG SER 69 HG SER 69 15.461 10.646 -5.967 521 H SER 70 H SER 70 15.644 14.538 -7.354 522 HA SER 70 HA SER 70 17.926 13.088 -8.282 523 HB2 SER 70 2HB SER 70 16.827 15.575 -9.579 524 HB3 SER 70 3HB SER 70 17.610 14.193 -10.343 525 HG SER 70 HG SER 70 15.750 12.951 -9.643 526 H ALA 71 H ALA 71 17.610 15.720 -6.266 527 HA ALA 71 HA ALA 71 20.313 16.686 -6.943 528 HB1 ALA 71 1HB ALA 71 18.796 18.534 -5.319 529 HB2 ALA 71 2HB ALA 71 19.607 18.794 -6.864 530 HB3 ALA 71 3HB ALA 71 17.961 18.162 -6.827 531 H ILE 72 H ILE 72 18.318 15.229 -4.598 532 HA ILE 72 HA ILE 72 20.407 15.610 -2.553 533 HB ILE 72 HB ILE 72 18.717 15.376 -0.822 534 HG12 ILE 72 2HG1 ILE 72 16.738 15.254 -3.108 535 HG13 ILE 72 3HG1 ILE 72 17.153 13.924 -2.032 536 HG21 ILE 72 1HG2 ILE 72 17.269 17.441 -2.141 537 HG22 ILE 72 2HG2 ILE 72 18.511 17.582 -0.897 538 HG23 ILE 72 3HG2 ILE 72 18.967 17.560 -2.600 539 HD11 ILE 72 3HD1 ILE 72 16.388 15.889 -0.287 540 HD12 ILE 72 1HD1 ILE 72 15.298 16.128 -1.653 541 HD13 ILE 72 2HD1 ILE 72 15.380 14.558 -0.853 542 H THR 73 H THR 73 21.189 13.830 -1.539 543 HA THR 73 HA THR 73 20.393 11.246 -2.641 544 HB THR 73 HB THR 73 22.467 10.653 -0.993 545 HG1 THR 73 HG1 THR 73 23.979 12.482 -1.538 546 HG21 THR 73 3HG2 THR 73 22.798 9.872 -3.098 547 HG22 THR 73 1HG2 THR 73 23.844 11.286 -3.212 548 HG23 THR 73 2HG2 THR 73 22.203 11.348 -3.856 549 H PHE 74 H PHE 74 20.650 9.374 -0.963 550 HA PHE 74 HA PHE 74 19.067 10.108 1.411 551 HB2 PHE 74 2HB PHE 74 18.116 8.556 -0.489 552 HB3 PHE 74 3HB PHE 74 19.087 7.324 0.311 553 HD1 PHE 74 HD2 PHE 74 18.762 7.221 2.933 554 HD2 PHE 74 HD1 PHE 74 15.942 8.833 0.182 555 HE1 PHE 74 HE2 PHE 74 16.965 6.870 4.576 556 HE2 PHE 74 HE1 PHE 74 14.140 8.486 1.822 557 HZ PHE 74 HZ PHE 74 14.650 7.502 4.021 558 H PHE 75 H PHE 75 21.013 10.498 2.599 559 HA PHE 75 HA PHE 75 21.886 8.282 4.105 560 HB2 PHE 75 2HB PHE 75 23.350 8.753 1.681 561 HB3 PHE 75 3HB PHE 75 24.391 9.088 3.061 562 HD1 PHE 75 HD1 PHE 75 23.687 7.171 5.042 563 HD2 PHE 75 HD2 PHE 75 23.851 6.691 0.816 564 HE1 PHE 75 HE1 PHE 75 24.076 4.759 5.334 565 HE2 PHE 75 HE2 PHE 75 24.240 4.279 1.101 566 HZ PHE 75 HZ PHE 75 24.353 3.309 3.363 567 H GLU 76 H GLU 76 24.170 9.049 5.223 568 HA GLU 76 HA GLU 76 23.694 11.828 6.083 569 HB2 GLU 76 2HB GLU 76 24.499 9.422 7.717 570 HB3 GLU 76 3HB GLU 76 24.640 11.071 8.308 571 HG2 GLU 76 2HG GLU 76 22.012 10.195 7.249 572 HG3 GLU 76 3HG GLU 76 22.528 9.576 8.817 573 HA PRO 77 HA PRO 77 27.868 12.762 5.097 574 HB2 PRO 77 2HB PRO 77 28.436 14.641 6.973 575 HB3 PRO 77 3HB PRO 77 27.367 14.948 5.598 576 HG2 PRO 77 2HG PRO 77 26.665 14.275 8.430 577 HG3 PRO 77 3HG PRO 77 25.935 15.479 7.352 578 HD2 PRO 77 2HD PRO 77 24.809 13.059 7.809 579 HD3 PRO 77 3HD PRO 77 24.655 13.905 6.256 580 H SER 78 H SER 78 30.080 13.073 6.191 581 HA SER 78 HA SER 78 30.410 10.911 8.153 582 HB2 SER 78 2HB SER 78 31.676 10.475 6.176 583 HB3 SER 78 3HB SER 78 32.310 12.121 6.139 584 HG SER 78 HG SER 78 33.507 11.661 7.987 585 H SER 79 H SER 79 30.608 14.289 7.773 586 HA SER 79 HA SER 79 31.070 15.951 9.267 587 HB2 SER 79 2HB SER 79 30.191 14.168 10.930 588 HB3 SER 79 3HB SER 79 31.891 13.911 11.321 589 HG SER 79 HG SER 79 31.622 15.548 12.606 590 H GLU 80 H GLU 80 33.385 13.437 10.270 591 HA GLU 80 HA GLU 80 35.578 15.183 10.411 592 HB2 GLU 80 2HB GLU 80 35.125 12.614 11.179 593 HB3 GLU 80 3HB GLU 80 36.179 12.362 9.796 594 HG2 GLU 80 2HG GLU 80 37.779 13.984 10.843 595 HG3 GLU 80 3HG GLU 80 36.763 13.943 12.282 596 H LYS 81 H LYS 81 34.151 13.483 7.755 597 HA LYS 81 HA LYS 81 36.446 13.781 6.023 598 HB2 LYS 81 2HB LYS 81 34.607 11.931 5.973 599 HB3 LYS 81 3HB LYS 81 33.683 13.117 5.060 600 HG2 LYS 81 2HG LYS 81 34.669 12.175 3.288 601 HG3 LYS 81 3HG LYS 81 36.045 13.185 3.739 602 HD2 LYS 81 2HD LYS 81 37.067 11.138 3.579 603 HD3 LYS 81 3HD LYS 81 36.621 11.137 5.287 604 HE2 LYS 81 2HE LYS 81 34.383 10.095 4.200 605 HE3 LYS 81 3HE LYS 81 35.587 9.519 3.048 606 HZ1 LYS 81 3HZ LYS 81 34.972 8.305 5.371 607 HZ2 LYS 81 1HZ LYS 81 36.346 9.189 5.809 608 HZ3 LYS 81 2HZ LYS 81 36.421 8.088 4.527 609 H ALA 82 H ALA 82 33.867 15.727 7.027 610 HA ALA 82 HA ALA 82 34.075 17.430 4.637 611 HB1 ALA 82 1HB ALA 82 31.810 16.580 5.411 612 HB2 ALA 82 2HB ALA 82 31.984 17.677 6.781 613 HB3 ALA 82 3HB ALA 82 31.954 18.316 5.137 614 H VAL 83 H VAL 83 34.959 17.189 7.915 615 HA VAL 83 HA VAL 83 35.001 19.900 8.674 616 HB VAL 83 HB VAL 83 35.264 17.981 10.245 617 HG11 VAL 83 1HG1 VAL 83 37.220 17.137 8.549 618 HG12 VAL 83 2HG1 VAL 83 38.166 17.842 9.861 619 HG13 VAL 83 3HG1 VAL 83 37.001 16.561 10.201 620 HG21 VAL 83 3HG2 VAL 83 35.835 19.727 11.517 621 HG22 VAL 83 1HG2 VAL 83 37.505 19.226 11.254 622 HG23 VAL 83 2HG2 VAL 83 36.783 20.463 10.225 623 H THR 84 H THR 84 36.334 21.530 8.200 624 HA THR 84 HA THR 84 39.058 21.137 7.407 625 HB THR 84 HB THR 84 37.421 22.482 5.290 626 HG1 THR 84 HG1 THR 84 36.649 20.634 4.620 627 HG21 THR 84 3HG2 THR 84 39.915 22.629 5.353 628 HG22 THR 84 1HG2 THR 84 39.276 21.908 3.877 629 HG23 THR 84 2HG2 THR 84 39.974 20.881 5.129 630 H ALA 85 H ALA 85 36.443 23.515 6.898 631 HA ALA 85 HA ALA 85 37.241 25.332 8.838 632 HB1 ALA 85 1HB ALA 85 38.632 25.667 6.213 633 HB2 ALA 85 2HB ALA 85 38.239 27.078 7.197 634 HB3 ALA 85 3HB ALA 85 39.276 25.809 7.849 635 H ASN 86 H ASN 86 34.871 24.313 7.600 636 HA ASN 86 HA ASN 86 33.726 26.699 6.328 637 HB2 ASN 86 2HB ASN 86 32.865 23.809 6.376 638 HB3 ASN 86 3HB ASN 86 31.800 25.095 5.818 639 HD21 ASN 86 1HD2 ASN 86 32.356 26.255 3.944 640 HD22 ASN 86 2HD2 ASN 86 33.449 25.599 2.777 641 H GLU 87 H GLU 87 33.161 28.024 7.988 642 HA GLU 87 HA GLU 87 32.245 27.361 10.496 643 HB2 GLU 87 2HB GLU 87 31.108 29.609 10.472 644 HB3 GLU 87 3HB GLU 87 32.812 29.627 10.040 645 HG2 GLU 87 2HG GLU 87 32.106 29.623 7.637 646 HG3 GLU 87 3HG GLU 87 30.451 29.858 8.195 647 H ASP 88 H ASP 88 30.301 27.949 7.579 648 HA ASP 88 HA ASP 88 27.789 27.527 8.769 649 HB2 ASP 88 2HB ASP 88 27.097 26.990 6.349 650 HB3 ASP 88 3HB ASP 88 27.752 28.591 6.676 651 H LEU 89 H LEU 89 30.031 25.312 7.163 652 HA LEU 89 HA LEU 89 28.391 23.045 7.124 653 HB2 LEU 89 2HB LEU 89 30.639 23.413 5.990 654 HB3 LEU 89 3HB LEU 89 31.368 22.983 7.536 655 HG LEU 89 HG LEU 89 30.411 20.761 7.406 656 HD11 LEU 89 1HD1 LEU 89 29.489 20.569 4.772 657 HD12 LEU 89 2HD1 LEU 89 28.709 21.997 5.450 658 HD13 LEU 89 3HD1 LEU 89 28.544 20.437 6.255 659 HD21 LEU 89 3HD2 LEU 89 31.448 20.254 4.969 660 HD22 LEU 89 1HD2 LEU 89 32.420 20.518 6.417 661 HD23 LEU 89 2HD2 LEU 89 32.145 21.843 5.285 662 H LEU 90 H LEU 90 30.349 24.441 9.669 663 HA LEU 90 HA LEU 90 30.434 22.275 11.434 664 HB2 LEU 90 2HB LEU 90 31.779 24.272 11.739 665 HB3 LEU 90 3HB LEU 90 30.327 25.229 12.024 666 HG LEU 90 HG LEU 90 29.951 24.168 14.128 667 HD11 LEU 90 1HD1 LEU 90 31.494 22.421 14.976 668 HD12 LEU 90 2HD1 LEU 90 32.216 22.332 13.369 669 HD13 LEU 90 3HD1 LEU 90 30.523 21.899 13.599 670 HD21 LEU 90 3HD2 LEU 90 32.915 24.665 14.004 671 HD22 LEU 90 1HD2 LEU 90 31.817 24.934 15.357 672 HD23 LEU 90 2HD2 LEU 90 31.722 25.962 13.928 673 H GLN 91 H GLN 91 28.103 24.965 11.277 674 HA GLN 91 HA GLN 91 26.437 23.991 13.340 675 HB2 GLN 91 2HB GLN 91 26.565 26.290 11.782 676 HB3 GLN 91 3HB GLN 91 25.031 25.559 11.333 677 HG2 GLN 91 2HG GLN 91 24.863 27.193 13.181 678 HG3 GLN 91 3HG GLN 91 24.275 25.584 13.596 679 HE21 GLN 91 1HE2 GLN 91 24.563 25.781 15.776 680 HE22 GLN 91 2HE2 GLN 91 26.116 25.884 16.525 681 H ALA 92 H ALA 92 26.426 23.556 9.841 682 HA ALA 92 HA ALA 92 23.933 22.281 9.611 683 HB1 ALA 92 1HB ALA 92 26.345 22.551 7.936 684 HB2 ALA 92 2HB ALA 92 25.294 21.182 7.573 685 HB3 ALA 92 3HB ALA 92 24.648 22.822 7.539 686 H ILE 93 H ILE 93 27.147 21.041 10.351 687 HA ILE 93 HA ILE 93 26.619 18.305 10.112 688 HB ILE 93 HB ILE 93 28.596 19.862 11.745 689 HG12 ILE 93 2HG1 ILE 93 28.898 19.563 9.285 690 HG13 ILE 93 3HG1 ILE 93 30.204 18.869 10.240 691 HG21 ILE 93 1HG2 ILE 93 27.972 16.942 11.924 692 HG22 ILE 93 2HG2 ILE 93 29.618 17.521 12.178 693 HG23 ILE 93 3HG2 ILE 93 28.312 18.095 13.215 694 HD11 ILE 93 3HD1 ILE 93 27.943 17.391 8.918 695 HD12 ILE 93 1HD1 ILE 93 29.647 17.371 8.462 696 HD13 ILE 93 2HD1 ILE 93 29.134 16.651 9.988 697 H ARG 94 H ARG 94 26.101 20.537 12.792 698 HA ARG 94 HA ARG 94 25.397 18.572 14.711 699 HB2 ARG 94 2HB ARG 94 26.066 21.037 15.077 700 HB3 ARG 94 3HB ARG 94 24.379 21.401 14.740 701 HG2 ARG 94 2HG ARG 94 23.952 19.580 16.584 702 HG3 ARG 94 3HG ARG 94 25.592 20.015 17.071 703 HD2 ARG 94 2HD ARG 94 24.444 22.463 16.689 704 HD3 ARG 94 3HD ARG 94 23.090 21.518 17.309 705 HE ARG 94 HE ARG 94 24.126 21.427 19.355 706 HH11 ARG 94 1HH1 ARG 94 26.382 22.561 16.959 707 HH12 ARG 94 2HH1 ARG 94 27.593 23.000 18.118 708 HH21 ARG 94 1HH2 ARG 94 25.712 22.000 20.891 709 HH22 ARG 94 2HH2 ARG 94 27.211 22.680 20.354 710 H ASN 95 H ASN 95 23.472 20.634 12.555 711 HA ASN 95 HA ASN 95 20.940 19.832 13.431 712 HB2 ASN 95 2HB ASN 95 21.730 20.663 10.630 713 HB3 ASN 95 3HB ASN 95 20.107 20.704 11.312 714 HD21 ASN 95 1HD2 ASN 95 21.812 22.834 10.205 715 HD22 ASN 95 2HD2 ASN 95 21.916 24.033 11.445 716 H ALA 96 H ALA 96 22.614 18.752 10.468 717 HA ALA 96 HA ALA 96 20.928 16.726 9.720 718 HB1 ALA 96 1HB ALA 96 22.485 16.270 8.183 719 HB2 ALA 96 2HB ALA 96 23.368 17.633 8.871 720 HB3 ALA 96 3HB ALA 96 23.734 15.990 9.397 721 H GLU 97 H GLU 97 23.271 16.730 12.312 722 HA GLU 97 HA GLU 97 23.275 13.912 12.744 723 HB2 GLU 97 2HB GLU 97 25.146 15.138 13.555 724 HB3 GLU 97 3HB GLU 97 24.119 16.255 14.442 725 HG2 GLU 97 2HG GLU 97 23.485 14.485 15.979 726 HG3 GLU 97 3HG GLU 97 24.463 13.332 15.073 727 H GLU 98 H GLU 98 21.532 16.631 14.198 728 HA GLU 98 HA GLU 98 20.173 15.082 16.148 729 HB2 GLU 98 2HB GLU 98 19.254 17.045 16.813 730 HB3 GLU 98 3HB GLU 98 20.507 17.728 15.787 731 HG2 GLU 98 2HG GLU 98 18.825 17.731 13.920 732 HG3 GLU 98 3HG GLU 98 17.606 17.318 15.125 733 H ASP 99 H ASP 99 19.492 15.940 12.823 734 HA ASP 99 HA ASP 99 16.796 14.893 12.922 735 HB2 ASP 99 2HB ASP 99 18.492 15.939 10.650 736 HB3 ASP 99 3HB ASP 99 16.843 15.354 10.448 737 H LYS 100 H LYS 100 16.793 12.734 13.295 738 HA LYS 100 HA LYS 100 17.969 11.049 11.207 739 HB2 LYS 100 2HB LYS 100 18.426 10.809 14.166 740 HB3 LYS 100 3HB LYS 100 18.497 9.388 13.132 741 HG2 LYS 100 2HG LYS 100 20.147 10.854 11.733 742 HG3 LYS 100 3HG LYS 100 20.317 11.741 13.249 743 HD2 LYS 100 2HD LYS 100 20.530 9.170 14.108 744 HD3 LYS 100 3HD LYS 100 21.265 9.061 12.507 745 HE2 LYS 100 2HE LYS 100 22.224 11.419 13.776 746 HE3 LYS 100 3HE LYS 100 22.387 10.078 14.909 747 HZ1 LYS 100 3HZ LYS 100 23.658 10.463 12.292 748 HZ2 LYS 100 1HZ LYS 100 23.363 8.885 12.827 749 HZ3 LYS 100 2HZ LYS 100 24.333 9.922 13.746 750 H GLU 101 H GLU 101 15.307 11.849 11.420 751 HA GLU 101 HA GLU 101 13.204 10.989 11.303 752 HB2 GLU 101 2HB GLU 101 14.650 9.067 10.248 753 HB3 GLU 101 3HB GLU 101 14.245 8.216 11.731 754 HG2 GLU 101 2HG GLU 101 11.803 8.958 11.093 755 HG3 GLU 101 3HG GLU 101 12.499 9.036 9.475 756 H SER 102 H SER 102 14.804 11.338 13.935 757 HA SER 102 HA SER 102 12.655 10.336 15.639 758 HB2 SER 102 2HB SER 102 14.604 8.678 15.603 759 HB3 SER 102 3HB SER 102 15.534 9.918 16.444 760 HG SER 102 HG SER 102 13.575 8.258 17.386 761 H ASN 103 H ASN 103 12.919 12.920 14.866 762 HA ASN 103 HA ASN 103 14.526 14.542 16.514 763 HB2 ASN 103 2HB ASN 103 13.753 15.767 14.744 764 HB3 ASN 103 3HB ASN 103 12.186 14.963 14.733 765 HD21 ASN 103 1HD2 ASN 103 14.113 17.468 16.205 766 HD22 ASN 103 2HD2 ASN 103 12.797 18.342 16.904 767 H ALA 104 H ALA 104 14.036 15.733 18.371 768 HA ALA 104 HA ALA 104 13.179 16.081 20.450 769 HB1 ALA 104 1HB ALA 104 10.468 15.252 20.104 770 HB2 ALA 104 2HB ALA 104 11.120 16.883 20.267 771 HB3 ALA 104 3HB ALA 104 10.993 16.140 18.673 772 H LEU 105 H LEU 105 14.095 13.365 19.574 773 HA LEU 105 HA LEU 105 12.626 11.732 21.534 774 HB2 LEU 105 2HB LEU 105 13.015 11.125 18.968 775 HB3 LEU 105 3HB LEU 105 14.520 10.485 19.624 776 HG LEU 105 HG LEU 105 12.364 9.544 21.231 777 HD11 LEU 105 1HD1 LEU 105 10.793 8.742 19.830 778 HD12 LEU 105 2HD1 LEU 105 11.943 8.468 18.521 779 HD13 LEU 105 3HD1 LEU 105 11.313 10.088 18.816 780 HD21 LEU 105 3HD2 LEU 105 13.503 7.605 21.063 781 HD22 LEU 105 1HD2 LEU 105 14.754 8.641 20.377 782 HD23 LEU 105 2HD2 LEU 105 13.680 7.734 19.313 783 H ARG 106 H ARG 106 15.710 13.052 20.664 784 HA ARG 106 HA ARG 106 17.765 13.003 21.646 785 HB2 ARG 106 2HB ARG 106 16.449 14.074 23.440 786 HB3 ARG 106 3HB ARG 106 16.116 12.490 24.128 787 HG2 ARG 106 2HG ARG 106 17.994 12.571 25.289 788 HG3 ARG 106 3HG ARG 106 18.931 12.770 23.806 789 HD2 ARG 106 2HD ARG 106 17.625 14.966 25.409 790 HD3 ARG 106 3HD ARG 106 19.350 14.609 25.341 791 HE ARG 106 HE ARG 106 18.579 15.042 22.737 792 HH11 ARG 106 1HH1 ARG 106 18.541 16.847 25.714 793 HH12 ARG 106 2HH1 ARG 106 18.704 18.386 24.935 794 HH21 ARG 106 1HH2 ARG 106 18.792 17.063 21.700 795 HH22 ARG 106 2HH2 ARG 106 18.845 18.508 22.652 796 H PHE 107 H PHE 107 18.124 10.965 20.446 797 HA PHE 107 HA PHE 107 18.937 8.847 20.301 798 HB2 PHE 107 2HB PHE 107 20.243 9.948 22.357 799 HB3 PHE 107 3HB PHE 107 19.408 8.670 23.234 800 HD1 PHE 107 HD1 PHE 107 21.259 9.018 20.008 801 HD2 PHE 107 HD2 PHE 107 20.618 6.759 23.558 802 HE1 PHE 107 HE1 PHE 107 22.978 7.410 19.291 803 HE2 PHE 107 HE2 PHE 107 22.336 5.148 22.848 804 HZ PHE 107 HZ PHE 107 23.519 5.473 20.712 805 H GLU 108 H GLU 108 18.763 6.561 21.427 806 HA GLU 108 HA GLU 108 16.000 5.920 21.465 807 HB2 GLU 108 2HB GLU 108 16.728 3.633 21.910 808 HB3 GLU 108 3HB GLU 108 17.703 4.358 20.639 809 HG2 GLU 108 2HG GLU 108 19.291 4.948 22.647 810 HG3 GLU 108 3HG GLU 108 18.457 3.596 23.409 811 HA PRO 109 HA PRO 109 14.992 6.449 25.713 812 HB2 PRO 109 2HB PRO 109 12.944 4.678 25.911 813 HB3 PRO 109 3HB PRO 109 12.798 6.225 25.068 814 HG2 PRO 109 2HG PRO 109 13.271 3.492 23.943 815 HG3 PRO 109 3HG PRO 109 12.193 4.772 23.357 816 HD2 PRO 109 2HD PRO 109 14.617 4.288 22.250 817 HD3 PRO 109 3HD PRO 109 13.907 5.914 22.321 818 H THR 110 H THR 110 14.315 4.906 27.647 819 HA THR 110 HA THR 110 16.167 2.613 27.669 820 HB THR 110 HB THR 110 16.828 3.098 29.920 821 HG1 THR 110 HG1 THR 110 15.954 5.224 30.785 822 HG21 THR 110 3HG2 THR 110 17.789 4.452 27.929 823 HG22 THR 110 1HG2 THR 110 18.157 4.977 29.571 824 HG23 THR 110 2HG2 THR 110 16.912 5.807 28.639 Start of MODEL 9 1 H1 MET 1 H MET 1 10.636 -6.175 -3.682 2 HA MET 1 HA MET 1 12.757 -6.944 -5.435 3 HB2 MET 1 2HB MET 1 10.247 -6.627 -6.637 4 HB3 MET 1 3HB MET 1 11.114 -5.139 -6.990 5 HG2 MET 1 2HG MET 1 12.386 -6.137 -8.504 6 HG3 MET 1 3HG MET 1 12.791 -7.449 -7.399 7 HE1 MET 1 3HE MET 1 11.086 -7.229 -11.029 8 HE2 MET 1 1HE MET 1 9.443 -7.092 -10.400 9 HE3 MET 1 2HE MET 1 10.673 -5.925 -9.914 10 H LEU 2 H LEU 2 10.602 -4.295 -4.463 11 HA LEU 2 HA LEU 2 12.850 -2.427 -4.570 12 HB2 LEU 2 2HB LEU 2 10.168 -2.183 -5.208 13 HB3 LEU 2 3HB LEU 2 10.311 -1.344 -3.664 14 HG LEU 2 HG LEU 2 12.443 -0.433 -5.261 15 HD11 LEU 2 1HD1 LEU 2 9.825 -0.423 -6.756 16 HD12 LEU 2 2HD1 LEU 2 11.278 -1.309 -7.215 17 HD13 LEU 2 3HD1 LEU 2 11.284 0.454 -7.217 18 HD21 LEU 2 3HD2 LEU 2 10.776 1.632 -5.281 19 HD22 LEU 2 1HD2 LEU 2 11.625 1.125 -3.820 20 HD23 LEU 2 2HD2 LEU 2 9.946 0.646 -4.075 21 H GLN 3 H GLN 3 13.286 -1.010 -2.770 22 HA GLN 3 HA GLN 3 13.260 -2.423 -0.269 23 HB2 GLN 3 2HB GLN 3 14.604 -0.067 -1.392 24 HB3 GLN 3 3HB GLN 3 14.218 0.077 0.318 25 HG2 GLN 3 2HG GLN 3 15.504 -2.431 -0.600 26 HG3 GLN 3 3HG GLN 3 16.489 -0.970 -0.537 27 HE21 GLN 3 1HE2 GLN 3 17.680 -2.183 1.087 28 HE22 GLN 3 2HE2 GLN 3 17.127 -2.163 2.723 29 H GLU 4 H GLU 4 11.370 0.052 -1.760 30 HA GLU 4 HA GLU 4 9.404 1.020 -1.115 31 HB2 GLU 4 2HB GLU 4 9.536 -1.271 0.480 32 HB3 GLU 4 3HB GLU 4 9.210 0.038 1.606 33 HG2 GLU 4 2HG GLU 4 7.326 0.724 0.083 34 HG3 GLU 4 3HG GLU 4 7.582 -0.794 -0.776 35 H ARG 5 H ARG 5 11.274 0.687 1.907 36 HA ARG 5 HA ARG 5 12.096 2.228 3.365 37 HB2 ARG 5 2HB ARG 5 13.239 3.060 1.303 38 HB3 ARG 5 3HB ARG 5 11.896 4.170 1.059 39 HG2 ARG 5 2HG ARG 5 13.842 5.245 2.100 40 HG3 ARG 5 3HG ARG 5 12.405 5.307 3.124 41 HD2 ARG 5 2HD ARG 5 13.428 4.188 4.754 42 HD3 ARG 5 3HD ARG 5 13.945 2.923 3.640 43 HE ARG 5 HE ARG 5 15.501 5.161 4.574 44 HH11 ARG 5 1HH1 ARG 5 15.129 2.735 2.105 45 HH12 ARG 5 2HH1 ARG 5 16.794 2.779 1.628 46 HH21 ARG 5 1HH2 ARG 5 17.695 5.229 3.955 47 HH22 ARG 5 2HH2 ARG 5 18.253 4.197 2.681 48 H VAL 6 H VAL 6 11.492 4.090 4.662 49 HA VAL 6 HA VAL 6 8.656 4.825 4.324 50 HB VAL 6 HB VAL 6 10.103 4.554 6.960 51 HG11 VAL 6 1HG1 VAL 6 7.355 5.329 6.134 52 HG12 VAL 6 2HG1 VAL 6 7.551 4.407 7.626 53 HG13 VAL 6 3HG1 VAL 6 8.366 5.960 7.434 54 HG21 VAL 6 3HG2 VAL 6 8.639 2.516 7.229 55 HG22 VAL 6 1HG2 VAL 6 8.322 2.619 5.497 56 HG23 VAL 6 2HG2 VAL 6 9.966 2.356 6.079 57 H PHE 7 H PHE 7 8.037 6.927 4.884 58 HA PHE 7 HA PHE 7 10.269 8.835 5.130 59 HB2 PHE 7 2HB PHE 7 7.590 9.255 3.788 60 HB3 PHE 7 3HB PHE 7 8.873 10.453 3.915 61 HD1 PHE 7 HD1 PHE 7 7.884 7.269 2.362 62 HD2 PHE 7 HD2 PHE 7 10.747 10.417 2.455 63 HE1 PHE 7 HE1 PHE 7 8.852 6.448 0.254 64 HE2 PHE 7 HE2 PHE 7 11.719 9.602 0.347 65 HZ PHE 7 HZ PHE 7 10.771 7.615 -0.757 66 H HIS 8 H HIS 8 10.300 10.087 6.877 67 HA HIS 8 HA HIS 8 7.803 10.424 8.405 68 HB2 HIS 8 2HB HIS 8 9.757 8.892 9.332 69 HB3 HIS 8 3HB HIS 8 10.434 10.444 9.816 70 HD1 HIS 8 HD1 HIS 8 10.094 9.667 12.309 71 HD2 HIS 8 HD2 HIS 8 6.597 10.165 10.122 72 HE1 HIS 8 HE1 HIS 8 8.241 9.727 14.009 73 H ILE 9 H ILE 9 8.014 12.308 10.002 74 HA ILE 9 HA ILE 9 8.287 14.687 8.625 75 HB ILE 9 HB ILE 9 7.050 14.580 10.701 76 HG12 ILE 9 2HG1 ILE 9 9.139 16.434 11.611 77 HG13 ILE 9 3HG1 ILE 9 8.677 16.650 9.926 78 HG21 ILE 9 1HG2 ILE 9 8.073 14.296 12.847 79 HG22 ILE 9 2HG2 ILE 9 8.579 12.959 11.815 80 HG23 ILE 9 3HG2 ILE 9 9.685 14.295 12.133 81 HD11 ILE 9 3HD1 ILE 9 6.759 16.627 12.243 82 HD12 ILE 9 1HD1 ILE 9 7.409 18.077 11.478 83 HD13 ILE 9 2HD1 ILE 9 6.379 16.979 10.558 84 H ASN 10 H ASN 10 10.678 12.936 10.527 85 HA ASN 10 HA ASN 10 12.650 14.957 10.569 86 HB2 ASN 10 2HB ASN 10 13.317 12.027 10.564 87 HB3 ASN 10 3HB ASN 10 14.097 13.337 11.447 88 HD21 ASN 10 1HD2 ASN 10 11.419 11.137 11.348 89 HD22 ASN 10 2HD2 ASN 10 10.878 11.401 12.967 90 H ASP 11 H ASP 11 12.169 12.169 8.418 91 HA ASP 11 HA ASP 11 13.146 11.610 6.424 92 HB2 ASP 11 2HB ASP 11 11.647 13.824 6.109 93 HB3 ASP 11 3HB ASP 11 13.204 14.453 5.580 94 H ARG 12 H ARG 12 15.200 10.985 7.129 95 HA ARG 12 HA ARG 12 17.320 12.909 7.410 96 HB2 ARG 12 2HB ARG 12 18.759 10.860 7.623 97 HB3 ARG 12 3HB ARG 12 17.444 10.962 8.787 98 HG2 ARG 12 2HG ARG 12 16.557 9.052 8.086 99 HG3 ARG 12 3HG ARG 12 16.650 9.543 6.394 100 HD2 ARG 12 2HD ARG 12 19.031 8.914 6.369 101 HD3 ARG 12 3HD ARG 12 18.890 8.373 8.042 102 HE ARG 12 HE ARG 12 18.020 6.976 5.692 103 HH11 ARG 12 1HH1 ARG 12 17.514 7.395 9.110 104 HH12 ARG 12 2HH1 ARG 12 16.821 5.822 9.333 105 HH21 ARG 12 1HH2 ARG 12 17.110 4.903 5.972 106 HH22 ARG 12 2HH2 ARG 12 16.593 4.406 7.548 107 H VAL 13 H VAL 13 17.917 13.941 5.595 108 HA VAL 13 HA VAL 13 19.010 12.336 3.422 109 HB VAL 13 HB VAL 13 17.891 13.663 1.685 110 HG11 VAL 13 1HG1 VAL 13 15.706 12.620 1.835 111 HG12 VAL 13 2HG1 VAL 13 16.951 11.504 2.397 112 HG13 VAL 13 3HG1 VAL 13 15.931 12.348 3.563 113 HG21 VAL 13 3HG2 VAL 13 15.774 14.682 3.422 114 HG22 VAL 13 1HG2 VAL 13 17.343 15.440 3.694 115 HG23 VAL 13 2HG2 VAL 13 16.619 15.463 2.086 116 H TRP 14 H TRP 14 20.058 13.871 1.748 117 HA TRP 14 HA TRP 14 21.324 16.111 3.186 118 HB2 TRP 14 2HB TRP 14 22.516 13.916 1.554 119 HB3 TRP 14 3HB TRP 14 23.268 15.507 1.480 120 HD1 TRP 14 HD1 TRP 14 23.084 12.433 3.599 121 HE1 TRP 14 HE1 TRP 14 24.473 12.761 5.742 122 HE3 TRP 14 HE3 TRP 14 23.925 17.465 3.259 123 HZ2 TRP 14 HZ2 TRP 14 25.754 14.873 7.107 124 HZ3 TRP 14 HZ3 TRP 14 25.241 18.562 5.025 125 HH2 TRP 14 HH2 TRP 14 26.136 17.291 6.908 126 H LEU 15 H LEU 15 21.352 18.038 2.188 127 HA LEU 15 HA LEU 15 20.411 18.135 -0.602 128 HB2 LEU 15 2HB LEU 15 18.967 19.099 1.298 129 HB3 LEU 15 3HB LEU 15 20.158 20.396 1.351 130 HG LEU 15 HG LEU 15 19.009 19.828 -1.305 131 HD11 LEU 15 1HD1 LEU 15 16.869 20.499 -0.938 132 HD12 LEU 15 2HD1 LEU 15 17.290 21.451 0.485 133 HD13 LEU 15 3HD1 LEU 15 17.170 19.696 0.603 134 HD21 LEU 15 3HD2 LEU 15 20.018 22.112 0.282 135 HD22 LEU 15 1HD2 LEU 15 18.768 22.461 -0.913 136 HD23 LEU 15 2HD2 LEU 15 20.279 21.701 -1.414 137 H LYS 16 H LYS 16 21.662 19.102 -2.075 138 HA LYS 16 HA LYS 16 24.196 20.244 -1.182 139 HB2 LYS 16 2HB LYS 16 24.430 18.581 -2.879 140 HB3 LYS 16 3HB LYS 16 23.190 19.331 -3.876 141 HG2 LYS 16 2HG LYS 16 25.370 19.768 -4.803 142 HG3 LYS 16 3HG LYS 16 24.658 21.272 -4.213 143 HD2 LYS 16 2HD LYS 16 26.916 21.296 -3.511 144 HD3 LYS 16 3HD LYS 16 25.965 20.899 -2.078 145 HE2 LYS 16 2HE LYS 16 27.082 18.996 -1.825 146 HE3 LYS 16 3HE LYS 16 26.644 18.489 -3.456 147 HZ1 LYS 16 3HZ LYS 16 28.603 19.242 -4.316 148 HZ2 LYS 16 1HZ LYS 16 29.130 18.800 -2.770 149 HZ3 LYS 16 2HZ LYS 16 28.822 20.424 -3.127 150 H THR 17 H THR 17 24.188 22.355 -0.778 151 HA THR 17 HA THR 17 22.310 24.221 -1.561 152 HB THR 17 HB THR 17 25.199 24.980 -1.192 153 HG1 THR 17 HG1 THR 17 23.413 23.841 0.645 154 HG21 THR 17 3HG2 THR 17 23.946 26.896 -1.595 155 HG22 THR 17 1HG2 THR 17 23.955 26.810 0.166 156 HG23 THR 17 2HG2 THR 17 22.536 26.276 -0.735 157 H GLY 18 H GLY 18 25.363 23.365 -3.157 158 HA2 GLY 18 2HA GLY 18 25.346 23.319 -5.607 159 HA3 GLY 18 3HA GLY 18 24.377 24.784 -5.553 160 H ALA 19 H ALA 19 27.297 23.978 -3.713 161 HA ALA 19 HA ALA 19 29.139 25.391 -5.265 162 HB1 ALA 19 1HB ALA 19 28.168 27.447 -4.907 163 HB2 ALA 19 2HB ALA 19 27.639 27.034 -3.276 164 HB3 ALA 19 3HB ALA 19 29.340 27.381 -3.591 165 H ASN 20 H ASN 20 29.434 23.056 -4.067 166 HA ASN 20 HA ASN 20 30.848 21.851 -2.754 167 HB2 ASN 20 2HB ASN 20 32.089 24.478 -2.947 168 HB3 ASN 20 3HB ASN 20 32.481 23.675 -1.429 169 HD21 ASN 20 1HD2 ASN 20 33.563 21.678 -1.484 170 HD22 ASN 20 2HD2 ASN 20 34.467 21.186 -2.871 171 H THR 21 H THR 21 28.407 23.460 -1.704 172 HA THR 21 HA THR 21 28.921 22.870 1.135 173 HB THR 21 HB THR 21 26.921 24.971 0.586 174 HG1 THR 21 HG1 THR 21 28.386 26.524 0.056 175 HG21 THR 21 3HG2 THR 21 28.553 25.947 2.484 176 HG22 THR 21 1HG2 THR 21 28.896 24.227 2.660 177 HG23 THR 21 2HG2 THR 21 27.243 24.818 2.828 178 H TRP 22 H TRP 22 27.570 21.414 1.945 179 HA TRP 22 HA TRP 22 24.864 21.202 0.822 180 HB2 TRP 22 2HB TRP 22 25.115 18.673 1.150 181 HB3 TRP 22 3HB TRP 22 25.946 19.390 -0.228 182 HD1 TRP 22 HD1 TRP 22 26.575 17.486 2.968 183 HE1 TRP 22 HE1 TRP 22 29.085 16.950 3.163 184 HE3 TRP 22 HE3 TRP 22 28.325 20.390 -0.858 185 HZ2 TRP 22 HZ2 TRP 22 31.489 17.664 1.866 186 HZ3 TRP 22 HZ3 TRP 22 30.743 20.408 -1.315 187 HH2 TRP 22 HH2 TRP 22 32.290 19.073 0.020 188 H TRP 23 H TRP 23 23.277 20.980 2.293 189 HA TRP 23 HA TRP 23 24.039 20.346 5.065 190 HB2 TRP 23 2HB TRP 23 22.448 22.044 5.864 191 HB3 TRP 23 3HB TRP 23 23.719 22.765 4.881 192 HD1 TRP 23 HD1 TRP 23 20.170 21.348 4.124 193 HE1 TRP 23 HE1 TRP 23 18.993 22.997 2.536 194 HE3 TRP 23 HE3 TRP 23 23.902 24.808 3.635 195 HZ2 TRP 23 HZ2 TRP 23 19.571 25.440 1.246 196 HZ3 TRP 23 HZ3 TRP 23 23.510 26.772 2.205 197 HH2 TRP 23 HH2 TRP 23 21.389 27.079 1.035 198 HA PRO 24 HA PRO 24 20.728 17.465 5.069 199 HB2 PRO 24 2HB PRO 24 19.952 17.559 7.669 200 HB3 PRO 24 3HB PRO 24 21.463 16.806 7.144 201 HG2 PRO 24 2HG PRO 24 21.008 19.524 8.313 202 HG3 PRO 24 3HG PRO 24 22.290 18.353 8.671 203 HD2 PRO 24 2HD PRO 24 22.675 20.483 7.044 204 HD3 PRO 24 3HD PRO 24 23.517 18.937 6.809 205 H ALA 25 H ALA 25 18.582 17.425 4.659 206 HA ALA 25 HA ALA 25 16.984 19.771 5.450 207 HB1 ALA 25 1HB ALA 25 17.673 19.648 2.990 208 HB2 ALA 25 2HB ALA 25 16.535 18.305 2.871 209 HB3 ALA 25 3HB ALA 25 15.965 19.903 3.349 210 H LYS 26 H LYS 26 15.030 19.370 6.326 211 HA LYS 26 HA LYS 26 14.153 16.559 6.432 212 HB2 LYS 26 2HB LYS 26 13.102 17.106 8.590 213 HB3 LYS 26 3HB LYS 26 14.838 17.384 8.619 214 HG2 LYS 26 2HG LYS 26 14.172 19.296 9.624 215 HG3 LYS 26 3HG LYS 26 14.060 19.835 7.947 216 HD2 LYS 26 2HD LYS 26 11.845 20.089 8.084 217 HD3 LYS 26 3HD LYS 26 11.637 18.504 8.832 218 HE2 LYS 26 2HE LYS 26 11.846 19.344 10.976 219 HE3 LYS 26 3HE LYS 26 12.735 20.769 10.441 220 HZ1 LYS 26 3HZ LYS 26 10.510 21.366 11.112 221 HZ2 LYS 26 1HZ LYS 26 9.840 20.258 10.023 222 HZ3 LYS 26 2HZ LYS 26 10.681 21.607 9.446 223 H VAL 27 H VAL 27 12.132 16.058 5.797 224 HA VAL 27 HA VAL 27 10.525 18.191 4.629 225 HB VAL 27 HB VAL 27 10.000 15.221 4.531 226 HG11 VAL 27 1HG1 VAL 27 8.121 15.820 3.512 227 HG12 VAL 27 2HG1 VAL 27 8.568 17.524 3.616 228 HG13 VAL 27 3HG1 VAL 27 9.084 16.559 2.233 229 HG21 VAL 27 3HG2 VAL 27 11.906 15.131 3.343 230 HG22 VAL 27 1HG2 VAL 27 10.941 15.870 2.064 231 HG23 VAL 27 2HG2 VAL 27 11.954 16.877 3.099 232 H THR 28 H THR 28 8.908 19.091 5.703 233 HA THR 28 HA THR 28 7.951 17.951 8.174 234 HB THR 28 HB THR 28 8.250 20.353 8.071 235 HG1 THR 28 HG1 THR 28 6.625 20.132 9.437 236 HG21 THR 28 3HG2 THR 28 7.943 21.121 5.938 237 HG22 THR 28 1HG2 THR 28 6.376 21.550 6.623 238 HG23 THR 28 2HG2 THR 28 6.543 20.089 5.649 239 H SER 29 H SER 29 7.195 17.443 4.995 240 HA SER 29 HA SER 29 5.485 16.380 3.935 241 HB2 SER 29 2HB SER 29 5.613 15.111 6.273 242 HB3 SER 29 3HB SER 29 4.023 15.845 6.479 243 HG SER 29 HG SER 29 4.796 14.295 4.231 244 H VAL 30 H VAL 30 5.235 18.986 3.783 245 HA VAL 30 HA VAL 30 2.390 19.518 4.346 246 HB VAL 30 HB VAL 30 4.650 21.523 4.296 247 HG11 VAL 30 1HG1 VAL 30 2.413 22.753 5.343 248 HG12 VAL 30 2HG1 VAL 30 3.065 22.985 3.719 249 HG13 VAL 30 3HG1 VAL 30 1.774 21.814 3.994 250 HG21 VAL 30 3HG2 VAL 30 2.874 20.742 6.601 251 HG22 VAL 30 1HG2 VAL 30 4.476 20.058 6.323 252 HG23 VAL 30 2HG2 VAL 30 4.296 21.784 6.640 253 H THR 31 H THR 31 1.270 19.463 2.520 254 HA THR 31 HA THR 31 2.473 19.757 -0.052 255 HB THR 31 HB THR 31 0.569 18.279 0.203 256 HG1 THR 31 HG1 THR 31 -0.598 19.022 -1.582 257 HG21 THR 31 3HG2 THR 31 -1.323 18.805 1.282 258 HG22 THR 31 1HG2 THR 31 -1.487 20.334 0.420 259 HG23 THR 31 2HG2 THR 31 -0.462 20.234 1.852 260 H GLY 32 H GLY 32 1.603 21.292 -1.705 261 HA2 GLY 32 2HA GLY 32 1.169 23.948 -0.481 262 HA3 GLY 32 3HA GLY 32 2.141 23.694 -1.923 263 H VAL 33 H VAL 33 -0.945 22.139 -1.254 264 HA VAL 33 HA VAL 33 -2.352 23.925 -3.065 265 HB VAL 33 HB VAL 33 -2.070 20.978 -3.671 266 HG11 VAL 33 1HG1 VAL 33 -3.345 22.372 -5.767 267 HG12 VAL 33 2HG1 VAL 33 -4.020 21.120 -4.723 268 HG13 VAL 33 3HG1 VAL 33 -4.168 22.819 -4.274 269 HG21 VAL 33 3HG2 VAL 33 -1.147 21.877 -5.843 270 HG22 VAL 33 1HG2 VAL 33 -1.056 23.451 -5.053 271 HG23 VAL 33 2HG2 VAL 33 -0.120 22.095 -4.426 272 H GLU 34 H GLU 34 -2.976 20.583 -2.026 273 HA GLU 34 HA GLU 34 -4.656 21.180 0.130 274 HB2 GLU 34 2HB GLU 34 -6.865 20.678 -0.922 275 HB3 GLU 34 3HB GLU 34 -6.161 22.207 -1.430 276 HG2 GLU 34 2HG GLU 34 -5.226 20.407 -3.300 277 HG3 GLU 34 3HG GLU 34 -6.880 19.879 -2.996 278 H GLY 35 H GLY 35 -2.661 19.269 -0.711 279 HA2 GLY 35 2HA GLY 35 -2.353 17.063 0.038 280 HA3 GLY 35 3HA GLY 35 -4.097 16.847 0.049 281 H VAL 36 H VAL 36 -1.936 17.933 -2.553 282 HA VAL 36 HA VAL 36 -3.170 16.001 -4.344 283 HB VAL 36 HB VAL 36 -1.018 18.002 -5.026 284 HG11 VAL 36 1HG1 VAL 36 -1.331 16.264 -6.682 285 HG12 VAL 36 2HG1 VAL 36 -3.071 16.557 -6.698 286 HG13 VAL 36 3HG1 VAL 36 -1.962 17.793 -7.293 287 HG21 VAL 36 3HG2 VAL 36 -4.011 18.372 -5.133 288 HG22 VAL 36 1HG2 VAL 36 -2.910 19.166 -4.006 289 HG23 VAL 36 2HG2 VAL 36 -2.805 19.511 -5.733 290 H ASP 37 H ASP 37 -0.361 16.294 -2.434 291 HA ASP 37 HA ASP 37 1.543 14.892 -3.906 292 HB2 ASP 37 2HB ASP 37 2.288 15.947 -1.929 293 HB3 ASP 37 3HB ASP 37 1.063 15.151 -0.945 294 H GLY 38 H GLY 38 -1.321 13.780 -2.325 295 HA2 GLY 38 2HA GLY 38 -0.487 11.005 -2.262 296 HA3 GLY 38 3HA GLY 38 -2.067 11.633 -1.815 297 H ARG 39 H ARG 39 -1.809 13.095 -4.583 298 HA ARG 39 HA ARG 39 -2.756 10.794 -6.163 299 HB2 ARG 39 2HB ARG 39 -4.126 12.571 -7.402 300 HB3 ARG 39 3HB ARG 39 -4.666 12.106 -5.794 301 HG2 ARG 39 2HG ARG 39 -3.597 14.104 -4.864 302 HG3 ARG 39 3HG ARG 39 -3.085 14.573 -6.487 303 HD2 ARG 39 2HD ARG 39 -5.183 15.683 -5.602 304 HD3 ARG 39 3HD ARG 39 -5.303 14.933 -7.193 305 HE ARG 39 HE ARG 39 -6.790 13.406 -6.335 306 HH11 ARG 39 1HH1 ARG 39 -5.259 15.139 -3.732 307 HH12 ARG 39 2HH1 ARG 39 -6.321 14.511 -2.516 308 HH21 ARG 39 1HH2 ARG 39 -8.194 12.572 -4.742 309 HH22 ARG 39 2HH2 ARG 39 -7.989 13.051 -3.091 310 H SER 40 H SER 40 -0.048 12.015 -5.934 311 HA SER 40 HA SER 40 1.715 12.446 -7.307 312 HB2 SER 40 2HB SER 40 -0.009 10.857 -8.832 313 HB3 SER 40 3HB SER 40 0.415 12.203 -9.890 314 HG SER 40 HG SER 40 2.505 11.638 -9.805 315 H SER 41 H SER 41 2.604 14.103 -8.640 316 HA SER 41 HA SER 41 1.213 16.585 -8.413 317 HB2 SER 41 2HB SER 41 3.411 17.109 -8.265 318 HB3 SER 41 3HB SER 41 3.907 15.690 -9.187 319 HG SER 41 HG SER 41 3.409 18.264 -10.032 320 H GLU 42 H GLU 42 1.418 14.169 -10.829 321 HA GLU 42 HA GLU 42 1.074 15.644 -13.171 322 HB2 GLU 42 2HB GLU 42 0.346 13.631 -14.191 323 HB3 GLU 42 3HB GLU 42 1.516 13.161 -12.966 324 HG2 GLU 42 2HG GLU 42 -0.021 11.671 -12.351 325 HG3 GLU 42 3HG GLU 42 -0.812 13.037 -11.568 326 H THR 43 H THR 43 -1.102 15.032 -10.575 327 HA THR 43 HA THR 43 -3.545 15.415 -11.975 328 HB THR 43 HB THR 43 -2.919 15.771 -9.038 329 HG1 THR 43 HG1 THR 43 -4.132 13.611 -10.454 330 HG21 THR 43 3HG2 THR 43 -4.964 16.635 -8.838 331 HG22 THR 43 1HG2 THR 43 -5.618 15.100 -9.408 332 HG23 THR 43 2HG2 THR 43 -5.283 16.397 -10.556 333 H GLY 44 H GLY 44 -1.671 17.579 -9.840 334 HA2 GLY 44 2HA GLY 44 -2.641 19.855 -11.411 335 HA3 GLY 44 3HA GLY 44 -2.960 19.854 -9.683 336 H THR 45 H THR 45 -1.215 20.047 -8.223 337 HA THR 45 HA THR 45 1.456 20.477 -9.231 338 HB THR 45 HB THR 45 1.477 22.795 -8.021 339 HG1 THR 45 HG1 THR 45 -1.257 22.289 -8.467 340 HG21 THR 45 3HG2 THR 45 1.194 23.897 -10.106 341 HG22 THR 45 1HG2 THR 45 0.116 22.637 -10.705 342 HG23 THR 45 2HG2 THR 45 1.831 22.295 -10.476 343 H SER 46 H SER 46 1.035 18.531 -7.615 344 HA SER 46 HA SER 46 0.888 19.112 -4.848 345 HB2 SER 46 2HB SER 46 1.490 16.802 -4.498 346 HB3 SER 46 3HB SER 46 0.400 16.880 -5.882 347 HG SER 46 HG SER 46 2.091 15.579 -6.465 348 H THR 47 H THR 47 2.340 20.423 -3.930 349 HA THR 47 HA THR 47 5.196 19.869 -4.410 350 HB THR 47 HB THR 47 5.732 22.162 -4.125 351 HG1 THR 47 HG1 THR 47 3.755 23.613 -3.747 352 HG21 THR 47 3HG2 THR 47 3.275 22.676 -5.662 353 HG22 THR 47 1HG2 THR 47 4.238 21.311 -6.225 354 HG23 THR 47 2HG2 THR 47 4.963 22.915 -6.110 355 H VAL 48 H VAL 48 6.341 19.248 -2.699 356 HA VAL 48 HA VAL 48 5.100 19.399 -0.052 357 HB VAL 48 HB VAL 48 7.537 17.850 -0.942 358 HG11 VAL 48 1HG1 VAL 48 6.748 16.612 1.286 359 HG12 VAL 48 2HG1 VAL 48 7.901 17.949 1.297 360 HG13 VAL 48 3HG1 VAL 48 6.202 18.244 1.672 361 HG21 VAL 48 3HG2 VAL 48 5.993 15.883 -0.670 362 HG22 VAL 48 1HG2 VAL 48 4.662 17.036 -0.574 363 HG23 VAL 48 2HG2 VAL 48 5.636 16.934 -2.040 364 H THR 49 H THR 49 5.591 21.135 1.112 365 HA THR 49 HA THR 49 8.044 22.600 0.685 366 HB THR 49 HB THR 49 6.000 23.103 2.847 367 HG1 THR 49 HG1 THR 49 4.694 23.805 1.344 368 HG21 THR 49 3HG2 THR 49 8.019 24.354 3.169 369 HG22 THR 49 1HG2 THR 49 6.798 25.457 2.536 370 HG23 THR 49 2HG2 THR 49 8.057 24.829 1.471 371 H VAL 50 H VAL 50 9.891 22.196 1.694 372 HA VAL 50 HA VAL 50 9.801 20.822 4.301 373 HB VAL 50 HB VAL 50 11.799 19.674 3.809 374 HG11 VAL 50 1HG1 VAL 50 11.231 18.337 1.943 375 HG12 VAL 50 2HG1 VAL 50 9.703 18.908 2.617 376 HG13 VAL 50 3HG1 VAL 50 10.364 19.661 1.165 377 HG21 VAL 50 3HG2 VAL 50 13.343 21.009 2.834 378 HG22 VAL 50 1HG2 VAL 50 12.772 20.218 1.364 379 HG23 VAL 50 2HG2 VAL 50 12.158 21.812 1.804 380 H LEU 51 H LEU 51 11.262 21.468 5.904 381 HA LEU 51 HA LEU 51 12.754 23.945 5.385 382 HB2 LEU 51 2HB LEU 51 10.524 24.329 6.522 383 HB3 LEU 51 3HB LEU 51 11.186 23.461 7.906 384 HG LEU 51 HG LEU 51 13.008 25.205 7.981 385 HD11 LEU 51 1HD1 LEU 51 13.174 26.650 6.310 386 HD12 LEU 51 2HD1 LEU 51 11.611 27.325 6.769 387 HD13 LEU 51 3HD1 LEU 51 11.695 26.027 5.578 388 HD21 LEU 51 3HD2 LEU 51 11.456 26.950 8.954 389 HD22 LEU 51 1HD2 LEU 51 11.306 25.321 9.613 390 HD23 LEU 51 2HD2 LEU 51 10.122 25.913 8.447 391 H THR 52 H THR 52 14.818 23.434 5.681 392 HA THR 52 HA THR 52 15.720 21.256 7.245 393 HB THR 52 HB THR 52 17.918 21.897 6.690 394 HG1 THR 52 HG1 THR 52 18.545 23.943 6.496 395 HG21 THR 52 3HG2 THR 52 16.846 23.204 4.310 396 HG22 THR 52 1HG2 THR 52 15.986 21.725 4.738 397 HG23 THR 52 2HG2 THR 52 17.728 21.685 4.465 398 H TYR 53 H TYR 53 17.811 22.020 8.739 399 HA TYR 53 HA TYR 53 16.520 23.458 10.944 400 HB2 TYR 53 2HB TYR 53 18.452 21.247 10.753 401 HB3 TYR 53 3HB TYR 53 18.827 22.434 11.997 402 HD1 TYR 53 HD1 TYR 53 15.963 20.395 10.735 403 HD2 TYR 53 HD2 TYR 53 17.861 22.201 14.088 404 HE1 TYR 53 HE1 TYR 53 14.316 19.342 12.227 405 HE2 TYR 53 HE2 TYR 53 16.220 21.152 15.589 406 HH TYR 53 HH TYR 53 13.531 19.229 14.315 407 HA PRO 54 HA PRO 54 19.129 26.971 10.527 408 HB2 PRO 54 2HB PRO 54 19.187 27.821 13.105 409 HB3 PRO 54 3HB PRO 54 17.765 27.991 12.070 410 HG2 PRO 54 2HG PRO 54 18.355 25.924 14.153 411 HG3 PRO 54 3HG PRO 54 16.841 26.790 13.834 412 HD2 PRO 54 2HD PRO 54 17.279 24.258 12.980 413 HD3 PRO 54 3HD PRO 54 16.276 25.411 12.076 414 H GLY 55 H GLY 55 21.260 26.956 10.210 415 HA2 GLY 55 2HA GLY 55 22.986 25.236 11.760 416 HA3 GLY 55 3HA GLY 55 23.463 26.252 10.408 417 H THR 56 H THR 56 25.218 27.237 11.287 418 HA THR 56 HA THR 56 24.884 28.634 13.846 419 HB THR 56 HB THR 56 26.837 27.188 13.738 420 HG1 THR 56 HG1 THR 56 27.909 29.786 13.499 421 HG21 THR 56 3HG2 THR 56 28.658 27.615 12.168 422 HG22 THR 56 1HG2 THR 56 27.717 28.897 11.407 423 HG23 THR 56 2HG2 THR 56 27.171 27.223 11.305 424 H GLN 57 H GLN 57 25.642 29.147 10.455 425 HA GLN 57 HA GLN 57 25.538 32.053 10.932 426 HB2 GLN 57 2HB GLN 57 27.470 30.445 9.520 427 HB3 GLN 57 3HB GLN 57 26.728 31.603 8.424 428 HG2 GLN 57 2HG GLN 57 28.155 32.207 11.001 429 HG3 GLN 57 3HG GLN 57 28.709 32.562 9.365 430 HE21 GLN 57 1HE2 GLN 57 27.703 34.051 11.962 431 HE22 GLN 57 2HE2 GLN 57 26.781 35.348 11.289 432 H ASN 58 H ASN 58 24.386 29.357 9.063 433 HA ASN 58 HA ASN 58 22.706 31.155 7.455 434 HB2 ASN 58 2HB ASN 58 24.251 29.011 6.667 435 HB3 ASN 58 3HB ASN 58 22.638 28.310 6.764 436 HD21 ASN 58 1HD2 ASN 58 24.571 30.836 5.297 437 HD22 ASN 58 2HD2 ASN 58 23.544 31.088 3.930 438 H LYS 59 H LYS 59 20.487 30.919 7.396 439 HA LYS 59 HA LYS 59 19.349 29.377 9.618 440 HB2 LYS 59 2HB LYS 59 17.934 31.495 8.008 441 HB3 LYS 59 3HB LYS 59 17.507 30.875 9.598 442 HG2 LYS 59 2HG LYS 59 19.931 32.541 8.948 443 HG3 LYS 59 3HG LYS 59 18.459 33.110 9.738 444 HD2 LYS 59 2HD LYS 59 20.238 30.929 10.822 445 HD3 LYS 59 3HD LYS 59 20.332 32.623 11.308 446 HE2 LYS 59 2HE LYS 59 17.732 32.240 11.713 447 HE3 LYS 59 3HE LYS 59 18.272 30.574 11.917 448 HZ1 LYS 59 3HZ LYS 59 19.695 31.207 13.677 449 HZ2 LYS 59 1HZ LYS 59 18.203 31.939 13.992 450 HZ3 LYS 59 2HZ LYS 59 19.480 32.857 13.372 451 H ALA 60 H ALA 60 17.290 28.287 9.286 452 HA ALA 60 HA ALA 60 17.327 26.588 7.036 453 HB1 ALA 60 1HB ALA 60 16.397 25.800 9.093 454 HB2 ALA 60 2HB ALA 60 15.188 27.085 9.099 455 HB3 ALA 60 3HB ALA 60 15.115 25.810 7.883 456 H THR 61 H THR 61 16.191 26.579 5.154 457 HA THR 61 HA THR 61 14.609 28.994 4.569 458 HB THR 61 HB THR 61 15.583 27.343 2.313 459 HG1 THR 61 HG1 THR 61 17.523 27.327 3.262 460 HG21 THR 61 3HG2 THR 61 14.520 29.898 2.698 461 HG22 THR 61 1HG2 THR 61 15.164 29.230 1.199 462 HG23 THR 61 2HG2 THR 61 16.211 30.160 2.271 463 H TYR 62 H TYR 62 12.695 28.798 3.350 464 HA TYR 62 HA TYR 62 11.493 26.113 3.461 465 HB2 TYR 62 2HB TYR 62 9.303 27.438 3.376 466 HB3 TYR 62 3HB TYR 62 10.233 27.524 4.868 467 HD1 TYR 62 HD2 TYR 62 11.454 29.578 5.452 468 HD2 TYR 62 HD1 TYR 62 8.994 29.375 1.986 469 HE1 TYR 62 HE2 TYR 62 11.463 32.034 5.308 470 HE2 TYR 62 HE1 TYR 62 8.997 31.829 1.832 471 HH TYR 62 HH TYR 62 10.201 33.827 4.362 472 H LYS 63 H LYS 63 11.257 25.135 1.575 473 HA LYS 63 HA LYS 63 10.511 26.720 -0.777 474 HB2 LYS 63 2HB LYS 63 13.022 26.178 -0.675 475 HB3 LYS 63 3HB LYS 63 12.548 24.511 -0.973 476 HG2 LYS 63 2HG LYS 63 13.159 25.506 -3.052 477 HG3 LYS 63 3HG LYS 63 11.410 25.265 -3.048 478 HD2 LYS 63 2HD LYS 63 11.128 27.426 -3.487 479 HD3 LYS 63 3HD LYS 63 11.915 27.829 -1.959 480 HE2 LYS 63 2HE LYS 63 14.058 27.921 -3.005 481 HE3 LYS 63 3HE LYS 63 13.419 27.250 -4.504 482 HZ1 LYS 63 3HZ LYS 63 13.797 29.736 -4.428 483 HZ2 LYS 63 1HZ LYS 63 12.453 29.821 -3.405 484 HZ3 LYS 63 2HZ LYS 63 12.282 29.222 -4.977 485 H ASN 64 H ASN 64 9.185 25.681 -2.239 486 HA ASN 64 HA ASN 64 8.022 23.167 -1.280 487 HB2 ASN 64 2HB ASN 64 6.155 23.735 -2.860 488 HB3 ASN 64 3HB ASN 64 6.399 24.915 -1.575 489 HD21 ASN 64 1HD2 ASN 64 7.441 26.896 -2.088 490 HD22 ASN 64 2HD2 ASN 64 7.410 27.512 -3.701 491 H VAL 65 H VAL 65 8.556 21.331 -2.241 492 HA VAL 65 HA VAL 65 8.972 21.246 -5.120 493 HB VAL 65 HB VAL 65 11.085 19.994 -4.927 494 HG11 VAL 65 1HG1 VAL 65 12.528 21.905 -4.401 495 HG12 VAL 65 2HG1 VAL 65 11.148 22.383 -5.392 496 HG13 VAL 65 3HG1 VAL 65 11.157 22.732 -3.663 497 HG21 VAL 65 3HG2 VAL 65 10.711 20.585 -2.011 498 HG22 VAL 65 1HG2 VAL 65 11.074 19.047 -2.794 499 HG23 VAL 65 2HG2 VAL 65 12.313 20.298 -2.689 500 H ASP 66 H ASP 66 8.482 19.286 -6.029 501 HA ASP 66 HA ASP 66 6.735 17.574 -4.728 502 HB2 ASP 66 2HB ASP 66 7.014 17.773 -7.204 503 HB3 ASP 66 3HB ASP 66 8.504 16.843 -7.069 504 H SER 67 H SER 67 10.223 17.489 -4.914 505 HA SER 67 HA SER 67 10.532 15.869 -2.660 506 HB2 SER 67 2HB SER 67 10.053 14.404 -5.116 507 HB3 SER 67 3HB SER 67 11.637 14.017 -4.445 508 HG SER 67 HG SER 67 9.792 12.743 -3.657 509 H HIS 68 H HIS 68 11.883 16.800 -5.782 510 HA HIS 68 HA HIS 68 13.944 17.533 -6.409 511 HB2 HIS 68 2HB HIS 68 13.339 18.767 -3.935 512 HB3 HIS 68 3HB HIS 68 15.039 18.313 -3.873 513 HD1 HIS 68 HD1 HIS 68 13.125 19.578 -6.893 514 HD2 HIS 68 HD2 HIS 68 16.237 20.705 -4.381 515 HE1 HIS 68 HE1 HIS 68 14.087 21.667 -7.910 516 H SER 69 H SER 69 13.569 14.763 -5.317 517 HA SER 69 HA SER 69 15.782 13.912 -3.855 518 HB2 SER 69 2HB SER 69 14.308 12.183 -4.010 519 HB3 SER 69 3HB SER 69 13.796 12.630 -5.638 520 HG SER 69 HG SER 69 15.013 10.637 -5.495 521 H SER 70 H SER 70 15.522 14.882 -7.156 522 HA SER 70 HA SER 70 17.867 13.563 -8.110 523 HB2 SER 70 2HB SER 70 15.857 15.398 -9.173 524 HB3 SER 70 3HB SER 70 17.478 15.743 -9.776 525 HG SER 70 HG SER 70 16.782 14.218 -11.136 526 H ALA 71 H ALA 71 17.425 16.127 -6.018 527 HA ALA 71 HA ALA 71 20.098 17.211 -6.629 528 HB1 ALA 71 1HB ALA 71 18.832 19.074 -5.009 529 HB2 ALA 71 2HB ALA 71 19.094 19.193 -6.749 530 HB3 ALA 71 3HB ALA 71 17.578 18.539 -6.129 531 H ILE 72 H ILE 72 17.998 15.839 -4.238 532 HA ILE 72 HA ILE 72 20.076 16.185 -2.181 533 HB ILE 72 HB ILE 72 18.380 15.753 -0.512 534 HG12 ILE 72 2HG1 ILE 72 16.447 15.478 -2.824 535 HG13 ILE 72 3HG1 ILE 72 17.034 14.151 -1.828 536 HG21 ILE 72 1HG2 ILE 72 18.555 18.013 -2.056 537 HG22 ILE 72 2HG2 ILE 72 16.825 17.672 -2.060 538 HG23 ILE 72 3HG2 ILE 72 17.680 17.875 -0.531 539 HD11 ILE 72 3HD1 ILE 72 16.040 15.881 0.036 540 HD12 ILE 72 1HD1 ILE 72 14.927 16.092 -1.315 541 HD13 ILE 72 2HD1 ILE 72 15.189 14.487 -0.631 542 H THR 73 H THR 73 20.920 14.436 -1.120 543 HA THR 73 HA THR 73 20.506 11.853 -2.410 544 HB THR 73 HB THR 73 22.434 11.476 -0.456 545 HG1 THR 73 HG1 THR 73 23.542 13.290 -0.230 546 HG21 THR 73 3HG2 THR 73 22.243 11.046 -3.082 547 HG22 THR 73 1HG2 THR 73 23.784 10.987 -2.228 548 HG23 THR 73 2HG2 THR 73 23.325 12.438 -3.119 549 H PHE 74 H PHE 74 20.788 9.925 -0.787 550 HA PHE 74 HA PHE 74 18.831 10.344 1.373 551 HB2 PHE 74 2HB PHE 74 18.422 8.724 -0.671 552 HB3 PHE 74 3HB PHE 74 19.422 7.627 0.275 553 HD1 PHE 74 HD1 PHE 74 18.651 7.926 2.968 554 HD2 PHE 74 HD2 PHE 74 16.209 8.172 -0.510 555 HE1 PHE 74 HE1 PHE 74 16.687 7.289 4.306 556 HE2 PHE 74 HE2 PHE 74 14.241 7.536 0.823 557 HZ PHE 74 HZ PHE 74 14.478 7.095 3.234 558 H PHE 75 H PHE 75 20.715 11.047 2.663 559 HA PHE 75 HA PHE 75 22.165 10.683 4.378 560 HB2 PHE 75 2HB PHE 75 20.377 8.834 4.826 561 HB3 PHE 75 3HB PHE 75 21.629 7.734 4.259 562 HD1 PHE 75 HD1 PHE 75 21.501 10.710 6.514 563 HD2 PHE 75 HD2 PHE 75 22.750 6.680 5.948 564 HE1 PHE 75 HE1 PHE 75 22.509 10.711 8.758 565 HE2 PHE 75 HE2 PHE 75 23.760 6.675 8.192 566 HZ PHE 75 HZ PHE 75 23.640 8.691 9.600 567 H GLU 76 H GLU 76 24.250 10.925 3.961 568 HA GLU 76 HA GLU 76 25.958 8.819 3.242 569 HB2 GLU 76 2HB GLU 76 24.660 9.493 1.032 570 HB3 GLU 76 3HB GLU 76 25.865 10.773 0.989 571 HG2 GLU 76 2HG GLU 76 27.498 9.382 0.375 572 HG3 GLU 76 3HG GLU 76 26.981 8.124 1.496 573 HA PRO 77 HA PRO 77 27.748 12.748 5.044 574 HB2 PRO 77 2HB PRO 77 28.664 11.596 7.325 575 HB3 PRO 77 3HB PRO 77 27.031 12.256 7.171 576 HG2 PRO 77 2HG PRO 77 27.953 9.415 6.966 577 HG3 PRO 77 3HG PRO 77 26.528 10.073 7.792 578 HD2 PRO 77 2HD PRO 77 26.386 8.895 5.358 579 HD3 PRO 77 3HD PRO 77 25.309 10.221 5.842 580 H SER 78 H SER 78 29.893 13.305 4.966 581 HA SER 78 HA SER 78 31.731 11.196 4.069 582 HB2 SER 78 2HB SER 78 31.198 13.820 3.116 583 HB3 SER 78 3HB SER 78 32.846 13.813 3.743 584 HG SER 78 HG SER 78 32.032 11.680 2.130 585 H SER 79 H SER 79 31.148 13.494 6.578 586 HA SER 79 HA SER 79 32.211 13.966 8.533 587 HB2 SER 79 2HB SER 79 32.131 11.646 9.051 588 HB3 SER 79 3HB SER 79 33.422 11.271 7.910 589 HG SER 79 HG SER 79 33.708 12.830 10.267 590 H GLU 80 H GLU 80 35.040 12.242 7.428 591 HA GLU 80 HA GLU 80 36.776 14.397 7.889 592 HB2 GLU 80 2HB GLU 80 37.029 11.756 6.510 593 HB3 GLU 80 3HB GLU 80 38.322 12.934 6.336 594 HG2 GLU 80 2HG GLU 80 38.176 13.044 8.940 595 HG3 GLU 80 3HG GLU 80 37.408 11.468 8.760 596 H LYS 81 H LYS 81 35.245 13.218 4.936 597 HA LYS 81 HA LYS 81 36.618 15.035 3.208 598 HB2 LYS 81 2HB LYS 81 34.617 12.928 2.954 599 HB3 LYS 81 3HB LYS 81 34.293 14.291 1.892 600 HG2 LYS 81 2HG LYS 81 35.605 12.933 0.573 601 HG3 LYS 81 3HG LYS 81 36.787 14.064 1.239 602 HD2 LYS 81 2HD LYS 81 36.370 11.727 2.929 603 HD3 LYS 81 3HD LYS 81 36.952 11.314 1.315 604 HE2 LYS 81 2HE LYS 81 38.844 12.777 1.568 605 HE3 LYS 81 3HE LYS 81 38.224 13.381 3.104 606 HZ1 LYS 81 3HZ LYS 81 39.969 11.743 3.432 607 HZ2 LYS 81 1HZ LYS 81 39.083 10.588 2.569 608 HZ3 LYS 81 2HZ LYS 81 38.499 11.175 4.044 609 H ALA 82 H ALA 82 34.043 15.361 5.381 610 HA ALA 82 HA ALA 82 32.930 17.680 3.973 611 HB1 ALA 82 1HB ALA 82 31.297 16.088 4.766 612 HB2 ALA 82 2HB ALA 82 31.941 16.196 6.405 613 HB3 ALA 82 3HB ALA 82 31.146 17.592 5.676 614 H VAL 83 H VAL 83 35.086 16.865 6.480 615 HA VAL 83 HA VAL 83 34.780 19.399 7.883 616 HB VAL 83 HB VAL 83 36.660 17.083 8.357 617 HG11 VAL 83 1HG1 VAL 83 36.492 19.789 9.561 618 HG12 VAL 83 2HG1 VAL 83 36.798 18.429 10.643 619 HG13 VAL 83 3HG1 VAL 83 37.892 18.751 9.297 620 HG21 VAL 83 3HG2 VAL 83 35.170 16.261 9.838 621 HG22 VAL 83 1HG2 VAL 83 34.652 17.862 10.365 622 HG23 VAL 83 2HG2 VAL 83 34.010 17.174 8.874 623 H THR 84 H THR 84 36.014 21.140 7.563 624 HA THR 84 HA THR 84 38.689 20.979 6.538 625 HB THR 84 HB THR 84 36.781 22.515 4.793 626 HG1 THR 84 HG1 THR 84 36.149 20.701 3.925 627 HG21 THR 84 3HG2 THR 84 38.700 21.969 3.152 628 HG22 THR 84 1HG2 THR 84 39.622 21.568 4.600 629 HG23 THR 84 2HG2 THR 84 38.976 23.195 4.388 630 H ALA 85 H ALA 85 36.014 23.346 6.527 631 HA ALA 85 HA ALA 85 36.883 24.851 8.701 632 HB1 ALA 85 1HB ALA 85 37.595 26.597 6.494 633 HB2 ALA 85 2HB ALA 85 38.467 26.246 7.987 634 HB3 ALA 85 3HB ALA 85 38.639 25.179 6.593 635 H ASN 86 H ASN 86 34.468 23.966 7.424 636 HA ASN 86 HA ASN 86 33.203 26.476 6.588 637 HB2 ASN 86 2HB ASN 86 32.428 23.582 6.289 638 HB3 ASN 86 3HB ASN 86 31.257 24.874 6.044 639 HD21 ASN 86 1HD2 ASN 86 34.394 23.671 4.983 640 HD22 ASN 86 2HD2 ASN 86 34.291 24.295 3.375 641 H GLU 87 H GLU 87 32.494 27.615 8.281 642 HA GLU 87 HA GLU 87 31.834 26.604 10.800 643 HB2 GLU 87 2HB GLU 87 30.700 28.805 11.151 644 HB3 GLU 87 3HB GLU 87 32.347 28.932 10.551 645 HG2 GLU 87 2HG GLU 87 31.385 29.195 8.251 646 HG3 GLU 87 3HG GLU 87 29.798 29.315 9.008 647 H ASP 88 H ASP 88 29.731 27.476 8.074 648 HA ASP 88 HA ASP 88 27.297 26.840 9.351 649 HB2 ASP 88 2HB ASP 88 26.450 26.655 6.938 650 HB3 ASP 88 3HB ASP 88 27.131 28.201 7.434 651 H LEU 89 H LEU 89 29.463 24.950 7.286 652 HA LEU 89 HA LEU 89 27.872 22.664 7.028 653 HB2 LEU 89 2HB LEU 89 30.051 23.284 5.835 654 HB3 LEU 89 3HB LEU 89 30.867 22.594 7.237 655 HG LEU 89 HG LEU 89 29.928 20.420 6.769 656 HD11 LEU 89 1HD1 LEU 89 27.800 20.748 5.927 657 HD12 LEU 89 2HD1 LEU 89 28.692 20.217 4.502 658 HD13 LEU 89 3HD1 LEU 89 28.340 21.930 4.735 659 HD21 LEU 89 3HD2 LEU 89 30.913 21.457 4.131 660 HD22 LEU 89 1HD2 LEU 89 31.194 19.885 4.879 661 HD23 LEU 89 2HD2 LEU 89 31.979 21.324 5.530 662 H LEU 90 H LEU 90 30.110 23.654 9.562 663 HA LEU 90 HA LEU 90 30.276 21.265 10.986 664 HB2 LEU 90 2HB LEU 90 31.745 22.999 11.584 665 HB3 LEU 90 3HB LEU 90 30.426 24.143 11.824 666 HG LEU 90 HG LEU 90 29.769 22.994 13.861 667 HD11 LEU 90 1HD1 LEU 90 30.290 20.869 14.199 668 HD12 LEU 90 2HD1 LEU 90 31.992 21.310 14.333 669 HD13 LEU 90 3HD1 LEU 90 31.316 20.874 12.764 670 HD21 LEU 90 3HD2 LEU 90 31.311 24.733 14.232 671 HD22 LEU 90 1HD2 LEU 90 32.661 23.777 13.621 672 HD23 LEU 90 2HD2 LEU 90 31.917 23.365 15.167 673 H GLN 91 H GLN 91 28.007 23.974 11.436 674 HA GLN 91 HA GLN 91 26.514 22.762 13.493 675 HB2 GLN 91 2HB GLN 91 26.509 25.219 12.163 676 HB3 GLN 91 3HB GLN 91 24.922 24.533 11.841 677 HG2 GLN 91 2HG GLN 91 25.004 25.978 13.845 678 HG3 GLN 91 3HG GLN 91 24.456 24.335 14.173 679 HE21 GLN 91 1HE2 GLN 91 25.032 24.196 16.275 680 HE22 GLN 91 2HE2 GLN 91 26.662 24.275 16.841 681 H ALA 92 H ALA 92 26.196 22.711 9.984 682 HA ALA 92 HA ALA 92 23.676 21.479 9.831 683 HB1 ALA 92 1HB ALA 92 25.913 21.988 8.005 684 HB2 ALA 92 2HB ALA 92 24.927 20.585 7.591 685 HB3 ALA 92 3HB ALA 92 24.177 22.173 7.757 686 H ILE 93 H ILE 93 26.929 20.145 10.128 687 HA ILE 93 HA ILE 93 26.336 17.455 9.660 688 HB ILE 93 HB ILE 93 28.466 18.772 11.326 689 HG12 ILE 93 2HG1 ILE 93 28.566 18.946 8.845 690 HG13 ILE 93 3HG1 ILE 93 29.933 18.074 9.530 691 HG21 ILE 93 1HG2 ILE 93 28.150 16.706 12.431 692 HG22 ILE 93 2HG2 ILE 93 27.967 15.837 10.909 693 HG23 ILE 93 3HG2 ILE 93 29.541 16.486 11.370 694 HD11 ILE 93 3HD1 ILE 93 29.483 16.296 8.298 695 HD12 ILE 93 1HD1 ILE 93 27.817 16.252 8.874 696 HD13 ILE 93 2HD1 ILE 93 28.242 17.244 7.479 697 H ARG 94 H ARG 94 26.060 19.406 12.578 698 HA ARG 94 HA ARG 94 25.558 17.286 14.376 699 HB2 ARG 94 2HB ARG 94 25.773 20.092 14.513 700 HB3 ARG 94 3HB ARG 94 24.182 19.695 15.148 701 HG2 ARG 94 2HG ARG 94 25.182 18.168 16.753 702 HG3 ARG 94 3HG ARG 94 26.784 18.514 16.098 703 HD2 ARG 94 2HD ARG 94 25.389 20.947 16.780 704 HD3 ARG 94 3HD ARG 94 25.473 19.857 18.164 705 HE ARG 94 HE ARG 94 27.623 21.327 17.016 706 HH11 ARG 94 1HH1 ARG 94 26.829 18.345 18.626 707 HH12 ARG 94 2HH1 ARG 94 28.415 18.128 19.288 708 HH21 ARG 94 1HH2 ARG 94 29.715 21.053 17.882 709 HH22 ARG 94 2HH2 ARG 94 30.056 19.670 18.865 710 H ASN 95 H ASN 95 23.362 19.465 12.620 711 HA ASN 95 HA ASN 95 20.956 18.449 13.600 712 HB2 ASN 95 2HB ASN 95 21.436 19.552 10.824 713 HB3 ASN 95 3HB ASN 95 19.901 19.496 11.686 714 HD21 ASN 95 1HD2 ASN 95 21.185 21.799 10.591 715 HD22 ASN 95 2HD2 ASN 95 21.508 22.875 11.903 716 H ALA 96 H ALA 96 22.546 17.668 10.502 717 HA ALA 96 HA ALA 96 20.879 15.712 9.577 718 HB1 ALA 96 1HB ALA 96 23.320 16.674 8.827 719 HB2 ALA 96 2HB ALA 96 23.698 15.004 9.251 720 HB3 ALA 96 3HB ALA 96 22.465 15.348 8.038 721 H GLU 97 H GLU 97 23.299 15.438 12.111 722 HA GLU 97 HA GLU 97 23.181 12.602 12.335 723 HB2 GLU 97 2HB GLU 97 25.127 13.690 13.173 724 HB3 GLU 97 3HB GLU 97 24.174 14.766 14.185 725 HG2 GLU 97 2HG GLU 97 23.502 12.872 15.571 726 HG3 GLU 97 3HG GLU 97 24.458 11.792 14.558 727 H GLU 98 H GLU 98 21.617 15.268 14.068 728 HA GLU 98 HA GLU 98 20.240 13.617 15.921 729 HB2 GLU 98 2HB GLU 98 19.482 15.555 16.805 730 HB3 GLU 98 3HB GLU 98 20.700 16.276 15.763 731 HG2 GLU 98 2HG GLU 98 18.934 16.543 14.019 732 HG3 GLU 98 3HG GLU 98 17.755 16.015 15.219 733 H ASP 99 H ASP 99 19.487 14.844 12.724 734 HA ASP 99 HA ASP 99 16.752 13.902 12.827 735 HB2 ASP 99 2HB ASP 99 16.847 15.784 11.498 736 HB3 ASP 99 3HB ASP 99 18.431 15.374 10.846 737 H LYS 100 H LYS 100 16.657 11.719 12.956 738 HA LYS 100 HA LYS 100 17.621 10.229 10.635 739 HB2 LYS 100 2HB LYS 100 18.281 9.581 13.505 740 HB3 LYS 100 3HB LYS 100 18.351 8.374 12.228 741 HG2 LYS 100 2HG LYS 100 19.889 10.107 11.045 742 HG3 LYS 100 3HG LYS 100 20.081 10.763 12.672 743 HD2 LYS 100 2HD LYS 100 20.452 7.836 12.149 744 HD3 LYS 100 3HD LYS 100 21.758 8.980 11.829 745 HE2 LYS 100 2HE LYS 100 20.907 9.716 14.332 746 HE3 LYS 100 3HE LYS 100 20.727 7.963 14.365 747 HZ1 LYS 100 3HZ LYS 100 23.141 9.578 14.203 748 HZ2 LYS 100 1HZ LYS 100 23.130 8.163 13.276 749 HZ3 LYS 100 2HZ LYS 100 22.888 8.081 14.948 750 H GLU 101 H GLU 101 15.100 10.829 10.697 751 HA GLU 101 HA GLU 101 12.951 10.076 10.799 752 HB2 GLU 101 2HB GLU 101 14.303 8.208 9.558 753 HB3 GLU 101 3HB GLU 101 13.994 7.277 11.016 754 HG2 GLU 101 2HG GLU 101 12.113 6.659 10.004 755 HG3 GLU 101 3HG GLU 101 11.517 8.259 10.442 756 H SER 102 H SER 102 14.335 10.608 13.332 757 HA SER 102 HA SER 102 12.345 9.676 15.109 758 HB2 SER 102 2HB SER 102 13.938 7.635 14.732 759 HB3 SER 102 3HB SER 102 15.026 8.517 15.803 760 HG SER 102 HG SER 102 13.505 6.985 16.811 761 H ASN 103 H ASN 103 13.431 12.162 14.429 762 HA ASN 103 HA ASN 103 15.299 13.022 16.425 763 HB2 ASN 103 2HB ASN 103 15.009 14.065 14.136 764 HB3 ASN 103 3HB ASN 103 13.511 14.773 14.733 765 HD21 ASN 103 1HD2 ASN 103 14.872 16.689 14.009 766 HD22 ASN 103 2HD2 ASN 103 15.832 17.443 15.232 767 H ALA 104 H ALA 104 14.930 14.138 18.298 768 HA ALA 104 HA ALA 104 13.835 14.844 20.165 769 HB1 ALA 104 1HB ALA 104 11.388 15.289 18.485 770 HB2 ALA 104 2HB ALA 104 11.925 16.174 19.914 771 HB3 ALA 104 3HB ALA 104 12.790 16.355 18.388 772 H LEU 105 H LEU 105 13.651 12.026 19.212 773 HA LEU 105 HA LEU 105 11.156 11.231 20.556 774 HB2 LEU 105 2HB LEU 105 12.250 10.432 18.114 775 HB3 LEU 105 3HB LEU 105 12.530 9.080 19.210 776 HG LEU 105 HG LEU 105 10.450 8.859 17.899 777 HD11 LEU 105 1HD1 LEU 105 10.202 7.574 19.743 778 HD12 LEU 105 2HD1 LEU 105 8.955 8.765 20.113 779 HD13 LEU 105 3HD1 LEU 105 10.550 8.900 20.852 780 HD21 LEU 105 3HD2 LEU 105 10.073 11.438 18.062 781 HD22 LEU 105 1HD2 LEU 105 9.219 11.021 19.548 782 HD23 LEU 105 2HD2 LEU 105 8.692 10.341 18.008 783 H ARG 106 H ARG 106 14.624 10.575 20.337 784 HA ARG 106 HA ARG 106 14.592 8.673 22.489 785 HB2 ARG 106 2HB ARG 106 16.267 8.826 20.532 786 HB3 ARG 106 3HB ARG 106 17.041 10.093 21.475 787 HG2 ARG 106 2HG ARG 106 17.544 8.590 23.241 788 HG3 ARG 106 3HG ARG 106 16.526 7.330 22.540 789 HD2 ARG 106 2HD ARG 106 18.024 7.068 20.686 790 HD3 ARG 106 3HD ARG 106 18.973 8.464 21.196 791 HE ARG 106 HE ARG 106 20.045 7.139 22.733 792 HH11 ARG 106 1HH1 ARG 106 17.236 5.475 21.525 793 HH12 ARG 106 2HH1 ARG 106 17.645 3.968 22.275 794 HH21 ARG 106 1HH2 ARG 106 20.595 5.160 23.725 795 HH22 ARG 106 2HH2 ARG 106 19.556 3.790 23.526 796 H PHE 107 H PHE 107 16.342 11.767 22.200 797 HA PHE 107 HA PHE 107 15.985 12.132 25.096 798 HB2 PHE 107 2HB PHE 107 18.051 13.316 23.230 799 HB3 PHE 107 3HB PHE 107 17.930 13.664 24.952 800 HD1 PHE 107 HD2 PHE 107 17.447 11.057 26.126 801 HD2 PHE 107 HD1 PHE 107 20.018 12.157 22.917 802 HE1 PHE 107 HE2 PHE 107 18.884 9.121 26.618 803 HE2 PHE 107 HE1 PHE 107 21.459 10.223 23.404 804 HZ PHE 107 HZ PHE 107 20.894 8.703 25.257 805 H GLU 108 H GLU 108 15.772 14.402 25.841 806 HA GLU 108 HA GLU 108 13.680 15.708 24.364 807 HB2 GLU 108 2HB GLU 108 15.022 16.188 27.004 808 HB3 GLU 108 3HB GLU 108 13.973 17.416 26.310 809 HG2 GLU 108 2HG GLU 108 12.949 14.635 26.503 810 HG3 GLU 108 3HG GLU 108 13.061 15.598 27.976 811 HA PRO 109 HA PRO 109 16.107 18.605 22.115 812 HB2 PRO 109 2HB PRO 109 14.272 20.582 21.806 813 HB3 PRO 109 3HB PRO 109 14.197 19.054 20.920 814 HG2 PRO 109 2HG PRO 109 12.703 19.897 23.373 815 HG3 PRO 109 3HG PRO 109 12.109 19.033 21.943 816 HD2 PRO 109 2HD PRO 109 12.716 17.770 24.260 817 HD3 PRO 109 3HD PRO 109 12.928 17.006 22.671 818 H THR 110 H THR 110 16.424 21.141 22.119 819 HA THR 110 HA THR 110 16.922 21.924 24.916 820 HB THR 110 HB THR 110 18.432 22.873 22.475 821 HG1 THR 110 HG1 THR 110 18.948 20.723 22.781 822 HG21 THR 110 3HG2 THR 110 20.099 23.380 24.445 823 HG22 THR 110 1HG2 THR 110 18.622 23.397 25.408 824 HG23 THR 110 2HG2 THR 110 18.805 24.510 24.051 Start of MODEL 10 1 H1 MET 1 H MET 1 5.491 7.410 -8.462 2 HA MET 1 HA MET 1 8.283 7.235 -8.691 3 HB2 MET 1 2HB MET 1 7.656 9.657 -9.527 4 HB3 MET 1 3HB MET 1 7.550 9.994 -7.805 5 HG2 MET 1 2HG MET 1 9.963 8.565 -8.339 6 HG3 MET 1 3HG MET 1 9.840 9.942 -9.432 7 HE1 MET 1 3HE MET 1 11.534 11.624 -8.708 8 HE2 MET 1 1HE MET 1 9.959 12.419 -8.731 9 HE3 MET 1 2HE MET 1 11.090 12.743 -7.417 10 H LEU 2 H LEU 2 9.139 6.686 -6.760 11 HA LEU 2 HA LEU 2 7.481 7.140 -4.366 12 HB2 LEU 2 2HB LEU 2 8.201 4.707 -5.530 13 HB3 LEU 2 3HB LEU 2 9.260 4.878 -4.131 14 HG LEU 2 HG LEU 2 6.572 5.505 -3.368 15 HD11 LEU 2 1HD1 LEU 2 6.093 4.045 -5.378 16 HD12 LEU 2 2HD1 LEU 2 5.411 3.510 -3.843 17 HD13 LEU 2 3HD1 LEU 2 6.856 2.730 -4.486 18 HD21 LEU 2 3HD2 LEU 2 8.318 4.805 -1.841 19 HD22 LEU 2 1HD2 LEU 2 8.443 3.248 -2.660 20 HD23 LEU 2 2HD2 LEU 2 6.972 3.667 -1.782 21 H GLN 3 H GLN 3 8.962 6.590 -2.329 22 HA GLN 3 HA GLN 3 11.163 8.484 -2.493 23 HB2 GLN 3 2HB GLN 3 10.207 7.047 -0.023 24 HB3 GLN 3 3HB GLN 3 11.105 8.556 -0.120 25 HG2 GLN 3 2HG GLN 3 8.270 8.157 -1.047 26 HG3 GLN 3 3HG GLN 3 8.755 8.895 0.478 27 HE21 GLN 3 1HE2 GLN 3 10.815 10.486 -0.246 28 HE22 GLN 3 2HE2 GLN 3 10.275 11.713 -1.336 29 H GLU 4 H GLU 4 10.806 5.365 -0.801 30 HA GLU 4 HA GLU 4 12.903 4.041 -2.084 31 HB2 GLU 4 2HB GLU 4 13.933 6.046 -0.531 32 HB3 GLU 4 3HB GLU 4 13.980 4.680 0.574 33 HG2 GLU 4 2HG GLU 4 16.074 4.835 -0.573 34 HG3 GLU 4 3HG GLU 4 15.224 3.393 -1.124 35 H ARG 5 H ARG 5 11.980 4.467 1.338 36 HA ARG 5 HA ARG 5 10.846 1.774 1.335 37 HB2 ARG 5 2HB ARG 5 13.152 1.449 2.055 38 HB3 ARG 5 3HB ARG 5 12.970 2.703 3.274 39 HG2 ARG 5 2HG ARG 5 10.930 0.724 3.617 40 HG3 ARG 5 3HG ARG 5 12.516 -0.047 3.550 41 HD2 ARG 5 2HD ARG 5 13.057 2.052 5.159 42 HD3 ARG 5 3HD ARG 5 11.366 1.764 5.569 43 HE ARG 5 HE ARG 5 13.603 0.146 6.286 44 HH11 ARG 5 1HH1 ARG 5 10.208 0.056 5.518 45 HH12 ARG 5 2HH1 ARG 5 9.909 -1.391 6.422 46 HH21 ARG 5 1HH2 ARG 5 13.221 -1.760 7.480 47 HH22 ARG 5 2HH2 ARG 5 11.623 -2.423 7.538 48 H VAL 6 H VAL 6 11.724 4.034 3.935 49 HA VAL 6 HA VAL 6 8.853 4.290 4.559 50 HB VAL 6 HB VAL 6 9.929 2.962 6.274 51 HG11 VAL 6 1HG1 VAL 6 11.788 5.284 6.757 52 HG12 VAL 6 2HG1 VAL 6 11.805 3.710 7.554 53 HG13 VAL 6 3HG1 VAL 6 12.229 3.841 5.847 54 HG21 VAL 6 3HG2 VAL 6 8.237 4.834 6.808 55 HG22 VAL 6 1HG2 VAL 6 9.137 4.108 8.140 56 HG23 VAL 6 2HG2 VAL 6 9.620 5.680 7.502 57 H PHE 7 H PHE 7 8.076 6.295 5.141 58 HA PHE 7 HA PHE 7 9.942 8.540 4.744 59 HB2 PHE 7 2HB PHE 7 7.886 8.066 3.147 60 HB3 PHE 7 3HB PHE 7 6.992 8.886 4.424 61 HD1 PHE 7 HD2 PHE 7 10.083 9.325 2.383 62 HD2 PHE 7 HD1 PHE 7 6.745 11.162 4.281 63 HE1 PHE 7 HE2 PHE 7 10.753 11.500 1.448 64 HE2 PHE 7 HE1 PHE 7 7.410 13.340 3.349 65 HZ PHE 7 HZ PHE 7 9.417 13.511 1.932 66 H HIS 8 H HIS 8 10.260 9.873 6.400 67 HA HIS 8 HA HIS 8 8.221 10.031 8.511 68 HB2 HIS 8 2HB HIS 8 10.439 8.592 8.926 69 HB3 HIS 8 3HB HIS 8 11.075 10.183 9.334 70 HD1 HIS 8 HD1 HIS 8 11.269 8.968 11.764 71 HD2 HIS 8 HD2 HIS 8 7.449 9.908 10.428 72 HE1 HIS 8 HE1 HIS 8 9.808 8.908 13.809 73 H ILE 9 H ILE 9 8.624 11.938 9.982 74 HA ILE 9 HA ILE 9 8.688 14.303 8.479 75 HB ILE 9 HB ILE 9 7.519 14.214 10.597 76 HG12 ILE 9 2HG1 ILE 9 9.410 16.166 11.543 77 HG13 ILE 9 3HG1 ILE 9 9.277 16.273 9.791 78 HG21 ILE 9 1HG2 ILE 9 8.646 14.050 12.720 79 HG22 ILE 9 2HG2 ILE 9 9.090 12.667 11.721 80 HG23 ILE 9 3HG2 ILE 9 10.219 14.008 11.922 81 HD11 ILE 9 3HD1 ILE 9 6.925 16.642 9.927 82 HD12 ILE 9 1HD1 ILE 9 6.923 16.313 11.659 83 HD13 ILE 9 2HD1 ILE 9 7.726 17.755 11.036 84 H ASN 10 H ASN 10 11.173 12.690 10.393 85 HA ASN 10 HA ASN 10 13.092 14.761 10.276 86 HB2 ASN 10 2HB ASN 10 13.820 11.847 10.430 87 HB3 ASN 10 3HB ASN 10 14.607 13.223 11.199 88 HD21 ASN 10 1HD2 ASN 10 11.950 10.994 11.328 89 HD22 ASN 10 2HD2 ASN 10 11.463 11.353 12.947 90 H ASP 11 H ASP 11 12.632 11.843 8.300 91 HA ASP 11 HA ASP 11 13.557 11.196 6.311 92 HB2 ASP 11 2HB ASP 11 12.030 13.358 5.901 93 HB3 ASP 11 3HB ASP 11 13.571 14.011 5.352 94 H ARG 12 H ARG 12 15.627 10.611 7.002 95 HA ARG 12 HA ARG 12 17.745 12.547 7.158 96 HB2 ARG 12 2HB ARG 12 19.196 10.515 7.422 97 HB3 ARG 12 3HB ARG 12 17.901 10.652 8.604 98 HG2 ARG 12 2HG ARG 12 17.106 8.668 8.033 99 HG3 ARG 12 3HG ARG 12 16.982 9.159 6.342 100 HD2 ARG 12 2HD ARG 12 18.407 7.215 6.529 101 HD3 ARG 12 3HD ARG 12 19.363 8.612 6.035 102 HE ARG 12 HE ARG 12 20.562 8.415 7.968 103 HH11 ARG 12 1HH1 ARG 12 17.573 6.664 8.317 104 HH12 ARG 12 2HH1 ARG 12 18.002 5.980 9.851 105 HH21 ARG 12 1HH2 ARG 12 21.138 7.521 9.986 106 HH22 ARG 12 2HH2 ARG 12 20.029 6.469 10.799 107 H VAL 13 H VAL 13 18.349 13.504 5.312 108 HA VAL 13 HA VAL 13 19.335 11.806 3.153 109 HB VAL 13 HB VAL 13 18.253 13.207 1.425 110 HG11 VAL 13 1HG1 VAL 13 16.014 12.158 3.084 111 HG12 VAL 13 2HG1 VAL 13 16.340 11.948 1.363 112 HG13 VAL 13 3HG1 VAL 13 17.271 11.040 2.555 113 HG21 VAL 13 3HG2 VAL 13 16.173 14.233 3.200 114 HG22 VAL 13 1HG2 VAL 13 17.758 14.955 3.477 115 HG23 VAL 13 2HG2 VAL 13 17.025 15.025 1.874 116 H TRP 14 H TRP 14 20.428 13.250 1.433 117 HA TRP 14 HA TRP 14 21.789 15.493 2.774 118 HB2 TRP 14 2HB TRP 14 22.936 13.054 1.940 119 HB3 TRP 14 3HB TRP 14 23.471 14.270 0.784 120 HD1 TRP 14 HD1 TRP 14 22.974 14.813 4.581 121 HE1 TRP 14 HE1 TRP 14 25.228 15.551 5.583 122 HE3 TRP 14 HE3 TRP 14 25.902 14.357 0.415 123 HZ2 TRP 14 HZ2 TRP 14 27.893 15.895 4.720 124 HZ3 TRP 14 HZ3 TRP 14 28.293 14.911 0.588 125 HH2 TRP 14 HH2 TRP 14 29.266 15.665 2.696 126 H LEU 15 H LEU 15 21.913 17.349 1.657 127 HA LEU 15 HA LEU 15 21.031 17.303 -1.154 128 HB2 LEU 15 2HB LEU 15 19.576 18.446 0.602 129 HB3 LEU 15 3HB LEU 15 20.843 19.668 0.689 130 HG LEU 15 HG LEU 15 19.744 19.069 -1.996 131 HD11 LEU 15 1HD1 LEU 15 17.692 20.015 -1.724 132 HD12 LEU 15 2HD1 LEU 15 18.189 20.967 -0.326 133 HD13 LEU 15 3HD1 LEU 15 17.861 19.244 -0.147 134 HD21 LEU 15 3HD2 LEU 15 21.380 20.732 -1.964 135 HD22 LEU 15 1HD2 LEU 15 20.748 21.458 -0.486 136 HD23 LEU 15 2HD2 LEU 15 19.863 21.633 -2.002 137 H LYS 16 H LYS 16 22.387 18.045 -2.654 138 HA LYS 16 HA LYS 16 24.935 19.172 -1.786 139 HB2 LYS 16 2HB LYS 16 25.133 17.344 -3.318 140 HB3 LYS 16 3HB LYS 16 23.976 18.069 -4.426 141 HG2 LYS 16 2HG LYS 16 26.201 18.317 -5.301 142 HG3 LYS 16 3HG LYS 16 25.567 19.901 -4.848 143 HD2 LYS 16 2HD LYS 16 27.861 19.724 -4.122 144 HD3 LYS 16 3HD LYS 16 26.804 19.737 -2.708 145 HE2 LYS 16 2HE LYS 16 28.633 18.058 -2.582 146 HE3 LYS 16 3HE LYS 16 27.018 17.363 -2.453 147 HZ1 LYS 16 3HZ LYS 16 27.195 16.341 -4.459 148 HZ2 LYS 16 1HZ LYS 16 28.833 16.346 -4.036 149 HZ3 LYS 16 2HZ LYS 16 28.233 17.508 -5.109 150 H THR 17 H THR 17 25.033 21.308 -1.598 151 HA THR 17 HA THR 17 23.235 23.143 -2.686 152 HB THR 17 HB THR 17 26.092 23.828 -2.011 153 HG1 THR 17 HG1 THR 17 25.141 24.126 0.170 154 HG21 THR 17 3HG2 THR 17 23.866 25.540 -1.148 155 HG22 THR 17 1HG2 THR 17 24.054 25.405 -2.896 156 HG23 THR 17 2HG2 THR 17 25.399 25.970 -1.906 157 H GLY 18 H GLY 18 26.355 21.996 -3.893 158 HA2 GLY 18 2HA GLY 18 26.675 21.789 -6.282 159 HA3 GLY 18 3HA GLY 18 25.690 23.231 -6.487 160 H ALA 19 H ALA 19 28.357 22.705 -4.219 161 HA ALA 19 HA ALA 19 30.380 23.964 -5.671 162 HB1 ALA 19 1HB ALA 19 30.342 26.155 -4.270 163 HB2 ALA 19 2HB ALA 19 29.333 26.020 -5.711 164 HB3 ALA 19 3HB ALA 19 28.620 25.807 -4.112 165 H ASN 20 H ASN 20 30.436 21.796 -4.099 166 HA ASN 20 HA ASN 20 31.662 20.798 -2.462 167 HB2 ASN 20 2HB ASN 20 32.987 23.334 -2.920 168 HB3 ASN 20 3HB ASN 20 33.136 22.839 -1.237 169 HD21 ASN 20 1HD2 ASN 20 34.934 21.785 -0.868 170 HD22 ASN 20 2HD2 ASN 20 35.715 20.683 -1.945 171 H THR 21 H THR 21 29.149 22.570 -1.978 172 HA THR 21 HA THR 21 29.337 22.519 0.965 173 HB THR 21 HB THR 21 27.294 24.262 -0.302 174 HG1 THR 21 HG1 THR 21 28.752 25.840 -0.815 175 HG21 THR 21 3HG2 THR 21 29.145 25.030 1.912 176 HG22 THR 21 1HG2 THR 21 27.872 23.851 2.225 177 HG23 THR 21 2HG2 THR 21 27.456 25.468 1.657 178 H TRP 22 H TRP 22 27.942 21.231 1.981 179 HA TRP 22 HA TRP 22 25.513 20.380 0.551 180 HB2 TRP 22 2HB TRP 22 25.898 18.160 1.879 181 HB3 TRP 22 3HB TRP 22 26.776 18.442 0.378 182 HD1 TRP 22 HD1 TRP 22 27.386 18.898 4.188 183 HE1 TRP 22 HE1 TRP 22 29.873 18.422 4.649 184 HE3 TRP 22 HE3 TRP 22 28.960 18.087 -0.608 185 HZ2 TRP 22 HZ2 TRP 22 32.195 17.788 3.175 186 HZ3 TRP 22 HZ3 TRP 22 31.330 17.551 -0.997 187 HH2 TRP 22 HH2 TRP 22 32.912 17.406 0.857 188 H TRP 23 H TRP 23 23.666 20.429 1.700 189 HA TRP 23 HA TRP 23 23.855 20.805 4.612 190 HB2 TRP 23 2HB TRP 23 23.370 22.922 3.148 191 HB3 TRP 23 3HB TRP 23 21.752 22.237 3.027 192 HD1 TRP 23 HD1 TRP 23 20.265 22.191 5.252 193 HE1 TRP 23 HE1 TRP 23 20.442 23.498 7.463 194 HE3 TRP 23 HE3 TRP 23 25.053 23.922 4.792 195 HZ2 TRP 23 HZ2 TRP 23 22.357 25.057 8.830 196 HZ3 TRP 23 HZ3 TRP 23 25.982 25.315 6.595 197 HH2 TRP 23 HH2 TRP 23 24.660 25.870 8.571 198 HA PRO 24 HA PRO 24 20.931 17.495 4.695 199 HB2 PRO 24 2HB PRO 24 20.164 17.748 7.287 200 HB3 PRO 24 3HB PRO 24 21.722 17.065 6.809 201 HG2 PRO 24 2HG PRO 24 21.078 19.831 7.756 202 HG3 PRO 24 3HG PRO 24 22.444 18.788 8.194 203 HD2 PRO 24 2HD PRO 24 22.665 20.798 6.393 204 HD3 PRO 24 3HD PRO 24 23.615 19.303 6.277 205 H ALA 25 H ALA 25 18.801 17.283 4.280 206 HA ALA 25 HA ALA 25 17.028 19.542 4.936 207 HB1 ALA 25 1HB ALA 25 15.861 18.611 2.704 208 HB2 ALA 25 2HB ALA 25 17.060 19.906 2.707 209 HB3 ALA 25 3HB ALA 25 17.547 18.252 2.333 210 H LYS 26 H LYS 26 15.106 19.037 5.827 211 HA LYS 26 HA LYS 26 14.410 16.178 6.015 212 HB2 LYS 26 2HB LYS 26 13.407 16.671 8.200 213 HB3 LYS 26 3HB LYS 26 15.118 17.074 8.174 214 HG2 LYS 26 2HG LYS 26 14.371 18.953 9.169 215 HG3 LYS 26 3HG LYS 26 14.115 19.455 7.497 216 HD2 LYS 26 2HD LYS 26 11.910 19.574 7.797 217 HD3 LYS 26 3HD LYS 26 11.858 17.950 8.487 218 HE2 LYS 26 2HE LYS 26 11.881 18.713 10.611 219 HE3 LYS 26 3HE LYS 26 12.983 20.037 10.234 220 HZ1 LYS 26 3HZ LYS 26 10.348 20.308 10.752 221 HZ2 LYS 26 1HZ LYS 26 10.372 20.330 9.060 222 HZ3 LYS 26 2HZ LYS 26 11.296 21.445 9.933 223 H VAL 27 H VAL 27 12.411 15.568 5.419 224 HA VAL 27 HA VAL 27 10.664 17.595 4.275 225 HB VAL 27 HB VAL 27 10.249 14.607 4.266 226 HG11 VAL 27 1HG1 VAL 27 8.353 15.098 3.225 227 HG12 VAL 27 2HG1 VAL 27 8.716 16.821 3.335 228 HG13 VAL 27 3HG1 VAL 27 9.273 15.889 1.945 229 HG21 VAL 27 3HG2 VAL 27 12.135 14.531 3.048 230 HG22 VAL 27 1HG2 VAL 27 11.138 15.221 1.767 231 HG23 VAL 27 2HG2 VAL 27 12.141 16.272 2.768 232 H THR 28 H THR 28 9.029 18.441 5.366 233 HA THR 28 HA THR 28 8.194 17.306 7.889 234 HB THR 28 HB THR 28 8.399 19.704 7.789 235 HG1 THR 28 HG1 THR 28 6.307 20.239 8.536 236 HG21 THR 28 3HG2 THR 28 6.538 20.873 6.330 237 HG22 THR 28 1HG2 THR 28 6.684 19.401 5.370 238 HG23 THR 28 2HG2 THR 28 8.094 20.428 5.631 239 H SER 29 H SER 29 7.375 16.718 4.746 240 HA SER 29 HA SER 29 5.673 15.588 3.745 241 HB2 SER 29 2HB SER 29 5.892 14.371 6.108 242 HB3 SER 29 3HB SER 29 4.282 15.056 6.328 243 HG SER 29 HG SER 29 3.685 13.349 5.249 244 H VAL 30 H VAL 30 5.354 18.202 3.593 245 HA VAL 30 HA VAL 30 2.510 18.664 4.220 246 HB VAL 30 HB VAL 30 4.714 20.721 4.020 247 HG11 VAL 30 1HG1 VAL 30 3.066 22.115 3.446 248 HG12 VAL 30 2HG1 VAL 30 1.816 20.931 3.836 249 HG13 VAL 30 3HG1 VAL 30 2.501 21.944 5.108 250 HG21 VAL 30 3HG2 VAL 30 3.050 19.941 6.409 251 HG22 VAL 30 1HG2 VAL 30 4.678 19.339 6.096 252 HG23 VAL 30 2HG2 VAL 30 4.412 21.060 6.372 253 H THR 31 H THR 31 1.318 18.531 2.445 254 HA THR 31 HA THR 31 2.429 18.812 -0.181 255 HB THR 31 HB THR 31 0.658 17.215 0.113 256 HG1 THR 31 HG1 THR 31 0.586 18.163 -1.907 257 HG21 THR 31 3HG2 THR 31 -0.727 17.800 1.827 258 HG22 THR 31 1HG2 THR 31 -1.717 18.374 0.485 259 HG23 THR 31 2HG2 THR 31 -0.720 19.510 1.396 260 H GLY 32 H GLY 32 1.513 20.274 -1.827 261 HA2 GLY 32 2HA GLY 32 0.935 22.918 -0.644 262 HA3 GLY 32 3HA GLY 32 1.828 22.678 -2.138 263 H VAL 33 H VAL 33 -1.161 21.072 -1.153 264 HA VAL 33 HA VAL 33 -2.727 22.681 -3.000 265 HB VAL 33 HB VAL 33 -2.440 19.696 -3.374 266 HG11 VAL 33 1HG1 VAL 33 -4.607 21.440 -3.966 267 HG12 VAL 33 2HG1 VAL 33 -3.868 20.930 -5.486 268 HG13 VAL 33 3HG1 VAL 33 -4.441 19.724 -4.333 269 HG21 VAL 33 3HG2 VAL 33 -1.655 20.393 -5.658 270 HG22 VAL 33 1HG2 VAL 33 -1.565 22.044 -5.044 271 HG23 VAL 33 2HG2 VAL 33 -0.555 20.783 -4.337 272 H GLU 34 H GLU 34 -3.071 19.481 -1.459 273 HA GLU 34 HA GLU 34 -4.724 20.313 0.642 274 HB2 GLU 34 2HB GLU 34 -6.911 19.442 -0.195 275 HB3 GLU 34 3HB GLU 34 -6.370 20.908 -0.999 276 HG2 GLU 34 2HG GLU 34 -5.332 18.895 -2.570 277 HG3 GLU 34 3HG GLU 34 -6.912 18.279 -2.090 278 H GLY 35 H GLY 35 -3.864 17.791 -1.644 279 HA2 GLY 35 2HA GLY 35 -2.922 15.941 0.106 280 HA3 GLY 35 3HA GLY 35 -4.654 15.643 0.110 281 H VAL 36 H VAL 36 -2.700 16.675 -2.643 282 HA VAL 36 HA VAL 36 -3.654 14.357 -4.132 283 HB VAL 36 HB VAL 36 -1.971 16.608 -5.216 284 HG11 VAL 36 1HG1 VAL 36 -3.282 15.968 -7.305 285 HG12 VAL 36 2HG1 VAL 36 -2.053 14.830 -6.750 286 HG13 VAL 36 3HG1 VAL 36 -3.759 14.518 -6.424 287 HG21 VAL 36 3HG2 VAL 36 -4.977 16.483 -4.990 288 HG22 VAL 36 1HG2 VAL 36 -3.908 17.602 -4.144 289 HG23 VAL 36 2HG2 VAL 36 -4.071 17.693 -5.898 290 H ASP 37 H ASP 37 -1.064 15.046 -2.222 291 HA ASP 37 HA ASP 37 1.045 13.908 -3.797 292 HB2 ASP 37 2HB ASP 37 1.292 15.565 -1.860 293 HB3 ASP 37 3HB ASP 37 1.043 14.185 -0.795 294 H GLY 38 H GLY 38 -1.607 12.572 -2.332 295 HA2 GLY 38 2HA GLY 38 -0.277 10.111 -1.487 296 HA3 GLY 38 3HA GLY 38 -1.979 10.497 -1.280 297 H ARG 39 H ARG 39 -1.399 11.343 -4.352 298 HA ARG 39 HA ARG 39 -1.980 8.644 -5.385 299 HB2 ARG 39 2HB ARG 39 -3.110 10.313 -7.233 300 HB3 ARG 39 3HB ARG 39 -3.982 9.512 -5.932 301 HG2 ARG 39 2HG ARG 39 -3.676 11.505 -4.526 302 HG3 ARG 39 3HG ARG 39 -2.861 12.306 -5.870 303 HD2 ARG 39 2HD ARG 39 -5.736 11.481 -5.634 304 HD3 ARG 39 3HD ARG 39 -5.070 13.079 -5.968 305 HE ARG 39 HE ARG 39 -4.245 11.656 -8.094 306 HH11 ARG 39 1HH1 ARG 39 -7.357 12.013 -6.573 307 HH12 ARG 39 2HH1 ARG 39 -8.247 11.777 -8.041 308 HH21 ARG 39 1HH2 ARG 39 -5.406 11.344 -10.033 309 HH22 ARG 39 2HH2 ARG 39 -7.136 11.396 -10.008 310 H SER 40 H SER 40 -1.331 11.785 -6.922 311 HA SER 40 HA SER 40 1.299 11.281 -7.714 312 HB2 SER 40 2HB SER 40 -0.791 10.085 -9.439 313 HB3 SER 40 3HB SER 40 0.478 10.979 -10.274 314 HG SER 40 HG SER 40 0.724 8.580 -9.658 315 H SER 41 H SER 41 2.188 13.034 -8.737 316 HA SER 41 HA SER 41 0.821 15.477 -8.608 317 HB2 SER 41 2HB SER 41 3.334 15.115 -8.562 318 HB3 SER 41 3HB SER 41 3.256 14.950 -10.316 319 HG SER 41 HG SER 41 2.143 17.081 -10.206 320 H GLU 42 H GLU 42 0.858 13.059 -11.026 321 HA GLU 42 HA GLU 42 0.421 14.532 -13.352 322 HB2 GLU 42 2HB GLU 42 -0.637 12.503 -14.243 323 HB3 GLU 42 3HB GLU 42 0.851 12.132 -13.384 324 HG2 GLU 42 2HG GLU 42 -0.243 10.672 -12.144 325 HG3 GLU 42 3HG GLU 42 -1.244 11.974 -11.505 326 H THR 43 H THR 43 -1.631 13.974 -10.645 327 HA THR 43 HA THR 43 -4.129 14.431 -11.930 328 HB THR 43 HB THR 43 -3.618 15.001 -9.021 329 HG1 THR 43 HG1 THR 43 -2.730 13.004 -9.206 330 HG21 THR 43 3HG2 THR 43 -5.851 15.468 -9.999 331 HG22 THR 43 1HG2 THR 43 -5.892 14.227 -8.747 332 HG23 THR 43 2HG2 THR 43 -5.976 13.768 -10.448 333 H GLY 44 H GLY 44 -2.372 16.506 -9.609 334 HA2 GLY 44 2HA GLY 44 -3.292 18.839 -11.163 335 HA3 GLY 44 3HA GLY 44 -3.476 18.796 -9.416 336 H THR 45 H THR 45 -1.725 19.188 -8.105 337 HA THR 45 HA THR 45 0.910 19.510 -9.291 338 HB THR 45 HB THR 45 1.022 21.821 -8.057 339 HG1 THR 45 HG1 THR 45 -1.724 21.307 -8.307 340 HG21 THR 45 3HG2 THR 45 0.741 22.910 -10.111 341 HG22 THR 45 1HG2 THR 45 -0.512 21.788 -10.639 342 HG23 THR 45 2HG2 THR 45 1.169 21.260 -10.564 343 H SER 46 H SER 46 0.701 17.564 -7.696 344 HA SER 46 HA SER 46 0.679 18.076 -4.912 345 HB2 SER 46 2HB SER 46 1.984 15.735 -6.315 346 HB3 SER 46 3HB SER 46 1.408 15.792 -4.649 347 HG SER 46 HG SER 46 -0.435 16.372 -6.653 348 H THR 47 H THR 47 2.110 19.447 -4.047 349 HA THR 47 HA THR 47 4.961 19.041 -4.682 350 HB THR 47 HB THR 47 5.399 21.356 -4.384 351 HG1 THR 47 HG1 THR 47 3.346 22.688 -3.907 352 HG21 THR 47 3HG2 THR 47 3.825 20.451 -6.417 353 HG22 THR 47 1HG2 THR 47 4.525 22.067 -6.334 354 HG23 THR 47 2HG2 THR 47 2.866 21.797 -5.802 355 H VAL 48 H VAL 48 6.235 18.483 -3.039 356 HA VAL 48 HA VAL 48 5.118 18.517 -0.334 357 HB VAL 48 HB VAL 48 7.595 17.134 -1.373 358 HG11 VAL 48 1HG1 VAL 48 7.063 15.822 0.864 359 HG12 VAL 48 2HG1 VAL 48 8.060 17.278 0.856 360 HG13 VAL 48 3HG1 VAL 48 6.360 17.375 1.317 361 HG21 VAL 48 3HG2 VAL 48 5.533 16.228 -2.335 362 HG22 VAL 48 1HG2 VAL 48 6.284 15.084 -1.223 363 HG23 VAL 48 2HG2 VAL 48 4.873 16.011 -0.714 364 H THR 49 H THR 49 5.557 20.260 0.839 365 HA THR 49 HA THR 49 7.927 21.849 0.332 366 HB THR 49 HB THR 49 5.872 22.289 2.499 367 HG1 THR 49 HG1 THR 49 4.640 22.438 0.723 368 HG21 THR 49 3HG2 THR 49 6.623 24.558 2.479 369 HG22 THR 49 1HG2 THR 49 7.629 24.273 1.059 370 HG23 THR 49 2HG2 THR 49 8.052 23.532 2.603 371 H VAL 50 H VAL 50 9.798 21.564 1.339 372 HA VAL 50 HA VAL 50 9.796 20.199 3.953 373 HB VAL 50 HB VAL 50 11.879 19.186 3.455 374 HG11 VAL 50 1HG1 VAL 50 11.332 17.740 1.683 375 HG12 VAL 50 2HG1 VAL 50 9.782 18.272 2.339 376 HG13 VAL 50 3HG1 VAL 50 10.400 18.982 0.847 377 HG21 VAL 50 3HG2 VAL 50 13.198 20.778 2.421 378 HG22 VAL 50 1HG2 VAL 50 12.887 19.652 1.100 379 HG23 VAL 50 2HG2 VAL 50 11.974 21.157 1.209 380 H LEU 51 H LEU 51 11.212 20.938 5.549 381 HA LEU 51 HA LEU 51 12.590 23.476 5.008 382 HB2 LEU 51 2HB LEU 51 10.367 23.843 6.097 383 HB3 LEU 51 3HB LEU 51 10.961 22.931 7.483 384 HG LEU 51 HG LEU 51 12.813 24.689 7.622 385 HD11 LEU 51 1HD1 LEU 51 11.386 25.632 5.321 386 HD12 LEU 51 2HD1 LEU 51 12.894 26.218 6.020 387 HD13 LEU 51 3HD1 LEU 51 11.352 26.848 6.597 388 HD21 LEU 51 3HD2 LEU 51 10.157 25.938 8.125 389 HD22 LEU 51 1HD2 LEU 51 11.586 25.864 9.157 390 HD23 LEU 51 2HD2 LEU 51 10.564 24.439 8.964 391 H THR 52 H THR 52 14.672 23.107 5.359 392 HA THR 52 HA THR 52 15.666 20.978 6.940 393 HB THR 52 HB THR 52 17.828 21.718 6.399 394 HG1 THR 52 HG1 THR 52 18.329 23.841 5.959 395 HG21 THR 52 3HG2 THR 52 16.501 22.982 4.064 396 HG22 THR 52 1HG2 THR 52 16.071 21.313 4.437 397 HG23 THR 52 2HG2 THR 52 17.752 21.741 4.119 398 H TYR 53 H TYR 53 17.703 21.884 8.449 399 HA TYR 53 HA TYR 53 16.303 23.273 10.623 400 HB2 TYR 53 2HB TYR 53 18.212 21.073 10.500 401 HB3 TYR 53 3HB TYR 53 18.692 22.309 11.657 402 HD1 TYR 53 HD2 TYR 53 15.714 20.286 10.666 403 HD2 TYR 53 HD1 TYR 53 17.831 22.227 13.806 404 HE1 TYR 53 HE2 TYR 53 14.124 19.364 12.301 405 HE2 TYR 53 HE1 TYR 53 16.247 21.310 15.449 406 HH TYR 53 HH TYR 53 13.384 20.267 14.860 407 HA PRO 54 HA PRO 54 18.805 26.865 10.245 408 HB2 PRO 54 2HB PRO 54 18.807 27.718 12.822 409 HB3 PRO 54 3HB PRO 54 17.392 27.841 11.771 410 HG2 PRO 54 2HG PRO 54 18.026 25.796 13.863 411 HG3 PRO 54 3HG PRO 54 16.488 26.612 13.526 412 HD2 PRO 54 2HD PRO 54 17.017 24.095 12.680 413 HD3 PRO 54 3HD PRO 54 15.988 25.214 11.764 414 H GLY 55 H GLY 55 20.941 26.965 9.977 415 HA2 GLY 55 2HA GLY 55 22.712 25.273 11.500 416 HA3 GLY 55 3HA GLY 55 23.169 26.361 10.198 417 H THR 56 H THR 56 24.814 27.479 11.082 418 HA THR 56 HA THR 56 24.432 28.678 13.733 419 HB THR 56 HB THR 56 26.515 27.352 13.293 420 HG1 THR 56 HG1 THR 56 27.162 30.070 13.774 421 HG21 THR 56 3HG2 THR 56 28.208 28.146 11.860 422 HG22 THR 56 1HG2 THR 56 27.412 29.704 11.645 423 HG23 THR 56 2HG2 THR 56 26.725 28.255 10.912 424 H GLN 57 H GLN 57 24.883 29.457 10.361 425 HA GLN 57 HA GLN 57 24.557 32.306 11.030 426 HB2 GLN 57 2HB GLN 57 26.632 31.003 9.483 427 HB3 GLN 57 3HB GLN 57 25.783 32.206 8.521 428 HG2 GLN 57 2HG GLN 57 26.957 32.757 11.234 429 HG3 GLN 57 3HG GLN 57 27.804 33.044 9.714 430 HE21 GLN 57 1HE2 GLN 57 26.772 34.825 11.912 431 HE22 GLN 57 2HE2 GLN 57 25.859 36.038 11.087 432 H ASN 58 H ASN 58 23.865 29.683 8.799 433 HA ASN 58 HA ASN 58 21.996 31.360 7.307 434 HB2 ASN 58 2HB ASN 58 23.693 29.369 6.492 435 HB3 ASN 58 3HB ASN 58 22.160 28.510 6.603 436 HD21 ASN 58 1HD2 ASN 58 21.962 28.236 4.408 437 HD22 ASN 58 2HD2 ASN 58 21.620 29.541 3.329 438 H LYS 59 H LYS 59 19.798 30.984 7.205 439 HA LYS 59 HA LYS 59 18.721 29.355 9.394 440 HB2 LYS 59 2HB LYS 59 18.199 31.924 8.840 441 HB3 LYS 59 3HB LYS 59 16.968 31.176 7.830 442 HG2 LYS 59 2HG LYS 59 15.859 31.543 9.824 443 HG3 LYS 59 3HG LYS 59 16.346 29.852 9.952 444 HD2 LYS 59 2HD LYS 59 18.363 30.621 11.223 445 HD3 LYS 59 3HD LYS 59 17.666 32.243 11.230 446 HE2 LYS 59 2HE LYS 59 15.633 31.257 12.321 447 HE3 LYS 59 3HE LYS 59 16.528 29.747 12.478 448 HZ1 LYS 59 3HZ LYS 59 17.933 32.062 13.469 449 HZ2 LYS 59 1HZ LYS 59 17.716 30.541 14.178 450 HZ3 LYS 59 2HZ LYS 59 16.506 31.716 14.309 451 H ALA 60 H ALA 60 16.764 28.112 9.020 452 HA ALA 60 HA ALA 60 16.964 26.432 6.765 453 HB1 ALA 60 1HB ALA 60 16.057 25.639 8.869 454 HB2 ALA 60 2HB ALA 60 14.694 26.749 8.724 455 HB3 ALA 60 3HB ALA 60 14.877 25.422 7.576 456 H THR 61 H THR 61 15.858 26.343 4.867 457 HA THR 61 HA THR 61 14.134 28.649 4.252 458 HB THR 61 HB THR 61 15.434 26.938 2.154 459 HG1 THR 61 HG1 THR 61 17.095 28.686 2.215 460 HG21 THR 61 3HG2 THR 61 13.910 29.419 2.262 461 HG22 THR 61 1HG2 THR 61 14.232 28.351 0.897 462 HG23 THR 61 2HG2 THR 61 15.413 29.578 1.354 463 H TYR 62 H TYR 62 12.215 28.344 3.098 464 HA TYR 62 HA TYR 62 11.182 25.589 3.180 465 HB2 TYR 62 2HB TYR 62 8.915 26.777 3.147 466 HB3 TYR 62 3HB TYR 62 9.860 26.901 4.626 467 HD1 TYR 62 HD2 TYR 62 10.957 29.018 5.226 468 HD2 TYR 62 HD1 TYR 62 8.470 28.711 1.788 469 HE1 TYR 62 HE2 TYR 62 10.813 31.471 5.119 470 HE2 TYR 62 HE1 TYR 62 8.320 31.163 1.670 471 HH TYR 62 HH TYR 62 8.817 33.147 3.950 472 H LYS 63 H LYS 63 10.979 24.626 1.283 473 HA LYS 63 HA LYS 63 10.109 26.199 -1.034 474 HB2 LYS 63 2HB LYS 63 12.639 25.814 -0.993 475 HB3 LYS 63 3HB LYS 63 12.274 24.115 -1.265 476 HG2 LYS 63 2HG LYS 63 12.264 24.543 -3.436 477 HG3 LYS 63 3HG LYS 63 10.796 25.491 -3.188 478 HD2 LYS 63 2HD LYS 63 12.409 27.405 -2.557 479 HD3 LYS 63 3HD LYS 63 13.643 26.424 -3.351 480 HE2 LYS 63 2HE LYS 63 11.425 26.465 -5.079 481 HE3 LYS 63 3HE LYS 63 11.641 28.120 -4.513 482 HZ1 LYS 63 3HZ LYS 63 13.073 28.123 -6.254 483 HZ2 LYS 63 1HZ LYS 63 13.412 26.469 -6.148 484 HZ3 LYS 63 2HZ LYS 63 14.138 27.551 -5.071 485 H ASN 64 H ASN 64 8.796 25.121 -2.470 486 HA ASN 64 HA ASN 64 7.809 22.521 -1.547 487 HB2 ASN 64 2HB ASN 64 5.852 23.007 -3.010 488 HB3 ASN 64 3HB ASN 64 6.100 24.223 -1.760 489 HD21 ASN 64 1HD2 ASN 64 6.004 23.566 -5.120 490 HD22 ASN 64 2HD2 ASN 64 6.259 25.184 -5.671 491 H VAL 65 H VAL 65 8.327 20.728 -2.600 492 HA VAL 65 HA VAL 65 8.735 20.774 -5.481 493 HB VAL 65 HB VAL 65 10.879 19.640 -5.406 494 HG11 VAL 65 1HG1 VAL 65 10.907 22.163 -3.751 495 HG12 VAL 65 2HG1 VAL 65 12.280 21.484 -4.629 496 HG13 VAL 65 3HG1 VAL 65 10.875 22.081 -5.512 497 HG21 VAL 65 3HG2 VAL 65 12.068 19.713 -3.090 498 HG22 VAL 65 1HG2 VAL 65 10.423 19.739 -2.454 499 HG23 VAL 65 2HG2 VAL 65 10.958 18.393 -3.461 500 H ASP 66 H ASP 66 8.516 18.745 -6.470 501 HA ASP 66 HA ASP 66 6.681 16.993 -5.351 502 HB2 ASP 66 2HB ASP 66 7.802 17.293 -7.823 503 HB3 ASP 66 3HB ASP 66 8.516 15.769 -7.303 504 H SER 67 H SER 67 10.177 16.983 -5.197 505 HA SER 67 HA SER 67 10.304 15.405 -2.897 506 HB2 SER 67 2HB SER 67 9.853 13.379 -3.837 507 HB3 SER 67 3HB SER 67 10.308 13.912 -5.455 508 HG SER 67 HG SER 67 11.875 12.508 -4.850 509 H HIS 68 H HIS 68 11.942 16.234 -5.918 510 HA HIS 68 HA HIS 68 14.010 17.079 -6.348 511 HB2 HIS 68 2HB HIS 68 13.357 18.028 -3.676 512 HB3 HIS 68 3HB HIS 68 15.093 17.844 -3.902 513 HD1 HIS 68 HD1 HIS 68 12.844 18.898 -6.715 514 HD2 HIS 68 HD2 HIS 68 15.573 20.575 -4.069 515 HE1 HIS 68 HE1 HIS 68 13.259 21.228 -7.565 516 H SER 69 H SER 69 13.530 14.264 -5.269 517 HA SER 69 HA SER 69 15.784 13.430 -3.816 518 HB2 SER 69 2HB SER 69 13.925 11.946 -3.918 519 HB3 SER 69 3HB SER 69 13.921 11.958 -5.682 520 HG SER 69 HG SER 69 15.533 10.549 -3.911 521 H SER 70 H SER 70 15.443 14.395 -7.070 522 HA SER 70 HA SER 70 17.663 12.896 -8.114 523 HB2 SER 70 2HB SER 70 15.605 14.623 -9.164 524 HB3 SER 70 3HB SER 70 17.181 15.113 -9.786 525 HG SER 70 HG SER 70 17.261 13.355 -10.937 526 H ALA 71 H ALA 71 17.425 15.533 -6.095 527 HA ALA 71 HA ALA 71 20.089 16.511 -6.895 528 HB1 ALA 71 1HB ALA 71 17.856 18.017 -6.867 529 HB2 ALA 71 2HB ALA 71 18.423 18.266 -5.215 530 HB3 ALA 71 3HB ALA 71 19.474 18.656 -6.575 531 H ILE 72 H ILE 72 18.248 14.993 -4.485 532 HA ILE 72 HA ILE 72 20.422 15.393 -2.536 533 HB ILE 72 HB ILE 72 18.858 15.232 -0.718 534 HG12 ILE 72 2HG1 ILE 72 16.734 14.885 -2.845 535 HG13 ILE 72 3HG1 ILE 72 17.278 13.652 -1.712 536 HG21 ILE 72 1HG2 ILE 72 17.234 17.156 -2.092 537 HG22 ILE 72 2HG2 ILE 72 18.470 17.413 -0.862 538 HG23 ILE 72 3HG2 ILE 72 18.923 17.341 -2.564 539 HD11 ILE 72 3HD1 ILE 72 15.350 15.797 -1.362 540 HD12 ILE 72 1HD1 ILE 72 15.556 14.293 -0.464 541 HD13 ILE 72 2HD1 ILE 72 16.534 15.704 -0.058 542 H THR 73 H THR 73 21.259 13.610 -1.579 543 HA THR 73 HA THR 73 20.383 11.029 -2.627 544 HB THR 73 HB THR 73 22.505 10.216 -1.437 545 HG1 THR 73 HG1 THR 73 23.288 12.929 -1.544 546 HG21 THR 73 3HG2 THR 73 22.929 12.266 -3.608 547 HG22 THR 73 1HG2 THR 73 22.250 10.666 -3.901 548 HG23 THR 73 2HG2 THR 73 23.893 10.827 -3.281 549 H PHE 74 H PHE 74 20.735 9.156 -0.970 550 HA PHE 74 HA PHE 74 19.319 9.901 1.504 551 HB2 PHE 74 2HB PHE 74 18.223 8.363 -0.321 552 HB3 PHE 74 3HB PHE 74 19.246 7.121 0.392 553 HD1 PHE 74 HD2 PHE 74 19.040 6.711 2.898 554 HD2 PHE 74 HD1 PHE 74 16.187 8.927 0.647 555 HE1 PHE 74 HE2 PHE 74 17.370 6.352 4.668 556 HE2 PHE 74 HE1 PHE 74 14.512 8.573 2.415 557 HZ PHE 74 HZ PHE 74 15.102 7.283 4.428 558 H PHE 75 H PHE 75 21.346 10.277 2.556 559 HA PHE 75 HA PHE 75 22.349 7.956 3.883 560 HB2 PHE 75 2HB PHE 75 23.713 8.822 1.513 561 HB3 PHE 75 3HB PHE 75 24.751 9.099 2.907 562 HD1 PHE 75 HD2 PHE 75 24.256 6.916 4.672 563 HD2 PHE 75 HD1 PHE 75 24.387 6.925 0.418 564 HE1 PHE 75 HE2 PHE 75 24.867 4.533 4.689 565 HE2 PHE 75 HE1 PHE 75 24.997 4.541 0.428 566 HZ PHE 75 HZ PHE 75 25.239 3.343 2.566 567 H GLU 76 H GLU 76 24.594 8.798 5.044 568 HA GLU 76 HA GLU 76 23.827 11.347 6.307 569 HB2 GLU 76 2HB GLU 76 25.231 10.385 8.261 570 HB3 GLU 76 3HB GLU 76 23.604 9.770 8.001 571 HG2 GLU 76 2HG GLU 76 24.476 7.809 6.902 572 HG3 GLU 76 3HG GLU 76 26.119 8.439 7.021 573 HA PRO 77 HA PRO 77 27.689 13.136 5.246 574 HB2 PRO 77 2HB PRO 77 28.241 14.630 7.444 575 HB3 PRO 77 3HB PRO 77 26.970 15.052 6.290 576 HG2 PRO 77 2HG PRO 77 26.743 13.678 8.940 577 HG3 PRO 77 3HG PRO 77 25.722 14.953 8.250 578 HD2 PRO 77 2HD PRO 77 25.001 12.343 8.237 579 HD3 PRO 77 3HD PRO 77 24.532 13.470 6.947 580 H SER 78 H SER 78 29.967 13.528 6.123 581 HA SER 78 HA SER 78 30.834 11.089 7.512 582 HB2 SER 78 2HB SER 78 32.275 12.960 5.627 583 HB3 SER 78 3HB SER 78 33.100 11.696 6.540 584 HG SER 78 HG SER 78 32.531 10.442 4.961 585 H SER 79 H SER 79 30.513 14.446 7.902 586 HA SER 79 HA SER 79 30.996 15.836 9.642 587 HB2 SER 79 2HB SER 79 31.154 13.198 10.792 588 HB3 SER 79 3HB SER 79 32.374 14.243 11.517 589 HG SER 79 HG SER 79 30.854 15.346 12.471 590 H GLU 80 H GLU 80 33.685 13.562 10.076 591 HA GLU 80 HA GLU 80 35.644 15.556 10.252 592 HB2 GLU 80 2HB GLU 80 35.752 13.087 10.978 593 HB3 GLU 80 3HB GLU 80 36.219 12.755 9.316 594 HG2 GLU 80 2HG GLU 80 38.152 14.207 9.547 595 HG3 GLU 80 3HG GLU 80 37.675 14.599 11.198 596 H LYS 81 H LYS 81 34.450 13.701 7.511 597 HA LYS 81 HA LYS 81 36.433 14.639 5.678 598 HB2 LYS 81 2HB LYS 81 34.676 12.581 5.632 599 HB3 LYS 81 3HB LYS 81 33.823 13.737 4.617 600 HG2 LYS 81 2HG LYS 81 35.031 12.792 2.981 601 HG3 LYS 81 3HG LYS 81 36.287 13.896 3.544 602 HD2 LYS 81 2HD LYS 81 37.572 12.106 3.876 603 HD3 LYS 81 3HD LYS 81 36.499 11.675 5.209 604 HE2 LYS 81 2HE LYS 81 35.173 10.289 3.783 605 HE3 LYS 81 3HE LYS 81 36.018 10.866 2.347 606 HZ1 LYS 81 3HZ LYS 81 37.867 9.620 2.823 607 HZ2 LYS 81 1HZ LYS 81 36.648 8.598 3.399 608 HZ3 LYS 81 2HZ LYS 81 37.543 9.540 4.481 609 H ALA 82 H ALA 82 33.656 16.021 7.038 610 HA ALA 82 HA ALA 82 33.314 17.905 4.816 611 HB1 ALA 82 1HB ALA 82 31.606 17.156 7.160 612 HB2 ALA 82 2HB ALA 82 31.333 18.662 6.283 613 HB3 ALA 82 3HB ALA 82 31.219 17.117 5.440 614 H VAL 83 H VAL 83 34.774 17.621 7.875 615 HA VAL 83 HA VAL 83 34.636 20.371 8.655 616 HB VAL 83 HB VAL 83 36.471 18.152 9.568 617 HG11 VAL 83 1HG1 VAL 83 36.691 19.781 11.580 618 HG12 VAL 83 2HG1 VAL 83 37.674 20.044 10.138 619 HG13 VAL 83 3HG1 VAL 83 36.223 21.011 10.407 620 HG21 VAL 83 3HG2 VAL 83 34.714 18.994 11.599 621 HG22 VAL 83 1HG2 VAL 83 33.742 18.801 10.140 622 HG23 VAL 83 2HG2 VAL 83 34.714 17.456 10.736 623 H THR 84 H THR 84 35.891 22.022 8.065 624 HA THR 84 HA THR 84 38.594 21.675 7.171 625 HB THR 84 HB THR 84 36.757 22.882 5.119 626 HG1 THR 84 HG1 THR 84 36.032 20.900 4.849 627 HG21 THR 84 3HG2 THR 84 39.128 23.397 4.929 628 HG22 THR 84 1HG2 THR 84 38.630 22.335 3.613 629 HG23 THR 84 2HG2 THR 84 39.525 21.679 4.984 630 H ALA 85 H ALA 85 35.914 23.991 6.713 631 HA ALA 85 HA ALA 85 36.827 25.865 8.581 632 HB1 ALA 85 1HB ALA 85 38.705 26.436 7.383 633 HB2 ALA 85 2HB ALA 85 37.926 26.164 5.824 634 HB3 ALA 85 3HB ALA 85 37.537 27.604 6.765 635 H ASN 86 H ASN 86 34.395 24.678 7.484 636 HA ASN 86 HA ASN 86 33.006 27.066 6.476 637 HB2 ASN 86 2HB ASN 86 32.377 24.124 6.283 638 HB3 ASN 86 3HB ASN 86 31.170 25.358 5.938 639 HD21 ASN 86 1HD2 ASN 86 31.197 26.376 4.020 640 HD22 ASN 86 2HD2 ASN 86 32.358 26.082 2.774 641 H GLU 87 H GLU 87 32.397 28.195 8.246 642 HA GLU 87 HA GLU 87 31.699 27.210 10.739 643 HB2 GLU 87 2HB GLU 87 30.464 29.375 11.031 644 HB3 GLU 87 3HB GLU 87 32.124 29.546 10.478 645 HG2 GLU 87 2HG GLU 87 31.263 30.921 8.952 646 HG3 GLU 87 3HG GLU 87 30.778 29.445 8.119 647 H ASP 88 H ASP 88 29.590 27.938 7.977 648 HA ASP 88 HA ASP 88 27.169 27.246 9.252 649 HB2 ASP 88 2HB ASP 88 26.197 27.235 7.022 650 HB3 ASP 88 3HB ASP 88 27.296 28.602 7.186 651 H LEU 89 H LEU 89 29.438 25.390 7.274 652 HA LEU 89 HA LEU 89 27.935 23.044 7.033 653 HB2 LEU 89 2HB LEU 89 30.085 23.682 5.844 654 HB3 LEU 89 3HB LEU 89 30.929 23.138 7.292 655 HG LEU 89 HG LEU 89 30.105 20.881 6.959 656 HD11 LEU 89 1HD1 LEU 89 29.066 20.930 4.357 657 HD12 LEU 89 2HD1 LEU 89 28.225 22.203 5.243 658 HD13 LEU 89 3HD1 LEU 89 28.213 20.549 5.853 659 HD21 LEU 89 3HD2 LEU 89 31.434 20.298 5.099 660 HD22 LEU 89 1HD2 LEU 89 32.169 21.751 5.777 661 HD23 LEU 89 2HD2 LEU 89 31.174 21.862 4.324 662 H LEU 90 H LEU 90 30.010 24.210 9.615 663 HA LEU 90 HA LEU 90 30.286 21.866 11.097 664 HB2 LEU 90 2HB LEU 90 31.580 23.794 11.645 665 HB3 LEU 90 3HB LEU 90 30.130 24.744 11.962 666 HG LEU 90 HG LEU 90 29.695 23.511 13.978 667 HD11 LEU 90 1HD1 LEU 90 30.285 21.310 13.587 668 HD12 LEU 90 2HD1 LEU 90 31.547 21.848 14.695 669 HD13 LEU 90 3HD1 LEU 90 31.880 21.738 12.967 670 HD21 LEU 90 3HD2 LEU 90 32.640 24.059 14.067 671 HD22 LEU 90 1HD2 LEU 90 31.414 24.350 15.302 672 HD23 LEU 90 2HD2 LEU 90 31.474 25.368 13.863 673 H GLN 91 H GLN 91 27.813 24.413 11.393 674 HA GLN 91 HA GLN 91 26.324 23.094 13.402 675 HB2 GLN 91 2HB GLN 91 26.221 25.566 12.062 676 HB3 GLN 91 3HB GLN 91 24.669 24.794 11.765 677 HG2 GLN 91 2HG GLN 91 24.722 26.261 13.766 678 HG3 GLN 91 3HG GLN 91 24.231 24.599 14.095 679 HE21 GLN 91 1HE2 GLN 91 24.796 24.711 16.251 680 HE22 GLN 91 2HE2 GLN 91 26.440 24.753 16.783 681 H ALA 92 H ALA 92 26.169 23.072 9.887 682 HA ALA 92 HA ALA 92 23.717 21.734 9.596 683 HB1 ALA 92 1HB ALA 92 24.146 21.953 7.423 684 HB2 ALA 92 2HB ALA 92 25.646 22.753 7.892 685 HB3 ALA 92 3HB ALA 92 25.639 21.023 7.548 686 H ILE 93 H ILE 93 27.009 20.531 10.024 687 HA ILE 93 HA ILE 93 26.521 17.818 9.534 688 HB ILE 93 HB ILE 93 28.573 19.205 11.242 689 HG12 ILE 93 2HG1 ILE 93 28.702 19.394 8.758 690 HG13 ILE 93 3HG1 ILE 93 30.096 18.588 9.469 691 HG21 ILE 93 1HG2 ILE 93 28.201 16.255 10.786 692 HG22 ILE 93 2HG2 ILE 93 29.729 16.967 11.302 693 HG23 ILE 93 3HG2 ILE 93 28.299 17.114 12.322 694 HD11 ILE 93 3HD1 ILE 93 29.743 16.764 8.267 695 HD12 ILE 93 1HD1 ILE 93 28.048 16.691 8.749 696 HD13 ILE 93 2HD1 ILE 93 28.532 17.682 7.372 697 H ARG 94 H ARG 94 26.139 19.759 12.449 698 HA ARG 94 HA ARG 94 25.663 17.615 14.229 699 HB2 ARG 94 2HB ARG 94 25.942 20.358 14.456 700 HB3 ARG 94 3HB ARG 94 24.260 20.088 14.890 701 HG2 ARG 94 2HG ARG 94 25.036 18.377 16.532 702 HG3 ARG 94 3HG ARG 94 26.692 18.873 16.175 703 HD2 ARG 94 2HD ARG 94 25.815 21.257 16.723 704 HD3 ARG 94 3HD ARG 94 24.505 20.398 17.532 705 HE ARG 94 HE ARG 94 27.084 19.451 18.320 706 HH11 ARG 94 1HH1 ARG 94 24.713 21.946 18.846 707 HH12 ARG 94 2HH1 ARG 94 25.238 22.285 20.462 708 HH21 ARG 94 1HH2 ARG 94 27.784 19.889 20.446 709 HH22 ARG 94 2HH2 ARG 94 26.985 21.115 21.371 710 H ASN 95 H ASN 95 23.445 19.776 12.477 711 HA ASN 95 HA ASN 95 21.049 18.702 13.417 712 HB2 ASN 95 2HB ASN 95 21.604 19.907 10.696 713 HB3 ASN 95 3HB ASN 95 20.014 19.703 11.425 714 HD21 ASN 95 1HD2 ASN 95 21.478 22.110 10.545 715 HD22 ASN 95 2HD2 ASN 95 21.512 23.153 11.922 716 H ALA 96 H ALA 96 22.677 17.994 10.320 717 HA ALA 96 HA ALA 96 21.051 16.008 9.372 718 HB1 ALA 96 1HB ALA 96 22.658 15.632 7.839 719 HB2 ALA 96 2HB ALA 96 23.394 17.065 8.557 720 HB3 ALA 96 3HB ALA 96 23.926 15.459 9.052 721 H GLU 97 H GLU 97 23.477 15.779 11.901 722 HA GLU 97 HA GLU 97 23.451 12.935 12.079 723 HB2 GLU 97 2HB GLU 97 25.375 14.038 12.922 724 HB3 GLU 97 3HB GLU 97 24.411 15.111 13.928 725 HG2 GLU 97 2HG GLU 97 23.814 13.289 15.382 726 HG3 GLU 97 3HG GLU 97 24.639 12.138 14.333 727 H GLU 98 H GLU 98 21.788 15.535 13.808 728 HA GLU 98 HA GLU 98 20.499 13.852 15.693 729 HB2 GLU 98 2HB GLU 98 19.656 15.766 16.545 730 HB3 GLU 98 3HB GLU 98 20.815 16.532 15.467 731 HG2 GLU 98 2HG GLU 98 19.010 16.653 13.745 732 HG3 GLU 98 3HG GLU 98 17.882 16.092 14.978 733 H ASP 99 H ASP 99 19.691 14.950 12.467 734 HA ASP 99 HA ASP 99 16.999 13.894 12.596 735 HB2 ASP 99 2HB ASP 99 18.629 15.258 10.470 736 HB3 ASP 99 3HB ASP 99 17.109 14.465 10.067 737 H LYS 100 H LYS 100 17.006 11.714 12.808 738 HA LYS 100 HA LYS 100 18.044 10.188 10.541 739 HB2 LYS 100 2HB LYS 100 18.626 9.538 13.435 740 HB3 LYS 100 3HB LYS 100 18.930 8.445 12.092 741 HG2 LYS 100 2HG LYS 100 20.488 10.082 11.131 742 HG3 LYS 100 3HG LYS 100 20.207 11.140 12.516 743 HD2 LYS 100 2HD LYS 100 21.276 8.325 12.707 744 HD3 LYS 100 3HD LYS 100 22.282 9.775 12.693 745 HE2 LYS 100 2HE LYS 100 20.537 10.414 14.648 746 HE3 LYS 100 3HE LYS 100 20.580 8.661 14.828 747 HZ1 LYS 100 3HZ LYS 100 23.023 8.820 14.949 748 HZ2 LYS 100 1HZ LYS 100 22.251 9.640 16.212 749 HZ3 LYS 100 2HZ LYS 100 22.903 10.507 14.914 750 H GLU 101 H GLU 101 15.472 10.749 10.664 751 HA GLU 101 HA GLU 101 13.379 9.859 10.678 752 HB2 GLU 101 2HB GLU 101 14.707 7.975 9.584 753 HB3 GLU 101 3HB GLU 101 14.678 7.181 11.152 754 HG2 GLU 101 2HG GLU 101 12.550 6.541 10.929 755 HG3 GLU 101 3HG GLU 101 12.057 8.078 10.221 756 H SER 102 H SER 102 14.867 10.520 13.238 757 HA SER 102 HA SER 102 12.778 9.909 15.034 758 HB2 SER 102 2HB SER 102 14.137 7.685 14.794 759 HB3 SER 102 3HB SER 102 15.304 8.500 15.836 760 HG SER 102 HG SER 102 14.038 7.728 17.344 761 H ASN 103 H ASN 103 13.896 12.269 14.369 762 HA ASN 103 HA ASN 103 16.027 13.111 16.027 763 HB2 ASN 103 2HB ASN 103 15.398 14.341 14.007 764 HB3 ASN 103 3HB ASN 103 13.834 14.734 14.715 765 HD21 ASN 103 1HD2 ASN 103 14.533 16.934 14.225 766 HD22 ASN 103 2HD2 ASN 103 15.510 17.770 15.380 767 H ALA 104 H ALA 104 16.078 13.828 18.074 768 HA ALA 104 HA ALA 104 15.417 14.177 20.227 769 HB1 ALA 104 1HB ALA 104 13.657 15.773 20.567 770 HB2 ALA 104 2HB ALA 104 14.573 16.242 19.135 771 HB3 ALA 104 3HB ALA 104 13.002 15.460 18.960 772 H LEU 105 H LEU 105 14.560 11.695 18.886 773 HA LEU 105 HA LEU 105 12.116 11.109 20.420 774 HB2 LEU 105 2HB LEU 105 12.979 10.426 17.758 775 HB3 LEU 105 3HB LEU 105 12.648 8.971 18.695 776 HG LEU 105 HG LEU 105 10.712 11.234 18.204 777 HD11 LEU 105 1HD1 LEU 105 11.471 9.235 16.472 778 HD12 LEU 105 2HD1 LEU 105 9.957 10.138 16.418 779 HD13 LEU 105 3HD1 LEU 105 10.024 8.579 17.239 780 HD21 LEU 105 3HD2 LEU 105 9.259 9.111 19.084 781 HD22 LEU 105 1HD2 LEU 105 9.788 10.456 20.094 782 HD23 LEU 105 2HD2 LEU 105 10.723 8.961 20.057 783 H ARG 106 H ARG 106 15.450 10.291 19.950 784 HA ARG 106 HA ARG 106 15.276 7.886 21.569 785 HB2 ARG 106 2HB ARG 106 16.800 7.927 19.650 786 HB3 ARG 106 3HB ARG 106 17.667 9.283 20.357 787 HG2 ARG 106 2HG ARG 106 18.542 7.955 22.090 788 HG3 ARG 106 3HG ARG 106 17.417 6.638 21.752 789 HD2 ARG 106 2HD ARG 106 19.126 7.415 19.494 790 HD3 ARG 106 3HD ARG 106 19.990 6.748 20.879 791 HE ARG 106 HE ARG 106 18.348 5.322 19.042 792 HH11 ARG 106 1HH1 ARG 106 19.368 5.433 22.369 793 HH12 ARG 106 2HH1 ARG 106 19.116 3.740 22.638 794 HH21 ARG 106 1HH2 ARG 106 18.013 3.092 19.384 795 HH22 ARG 106 2HH2 ARG 106 18.347 2.409 20.940 796 H PHE 107 H PHE 107 17.228 10.871 21.744 797 HA PHE 107 HA PHE 107 16.992 10.731 24.677 798 HB2 PHE 107 2HB PHE 107 19.353 10.572 23.107 799 HB3 PHE 107 3HB PHE 107 19.372 12.130 23.926 800 HD1 PHE 107 HD2 PHE 107 18.239 8.713 24.911 801 HD2 PHE 107 HD1 PHE 107 20.720 12.062 25.776 802 HE1 PHE 107 HE2 PHE 107 18.999 7.612 26.976 803 HE2 PHE 107 HE1 PHE 107 21.485 10.966 27.842 804 HZ PHE 107 HZ PHE 107 20.623 8.739 28.445 805 H GLU 108 H GLU 108 18.077 13.060 25.437 806 HA GLU 108 HA GLU 108 16.064 14.952 24.730 807 HB2 GLU 108 2HB GLU 108 18.220 14.742 26.693 808 HB3 GLU 108 3HB GLU 108 17.996 16.379 26.092 809 HG2 GLU 108 2HG GLU 108 16.027 16.637 27.135 810 HG3 GLU 108 3HG GLU 108 15.526 14.975 26.828 811 HA PRO 109 HA PRO 109 17.987 16.992 21.341 812 HB2 PRO 109 2HB PRO 109 16.806 19.427 21.556 813 HB3 PRO 109 3HB PRO 109 15.950 17.992 20.978 814 HG2 PRO 109 2HG PRO 109 15.932 19.242 23.699 815 HG3 PRO 109 3HG PRO 109 14.577 18.596 22.755 816 HD2 PRO 109 2HD PRO 109 15.745 17.208 24.765 817 HD3 PRO 109 3HD PRO 109 15.046 16.416 23.338 818 H THR 110 H THR 110 18.957 19.309 20.890 819 HA THR 110 HA THR 110 20.393 20.373 23.192 820 HB THR 110 HB THR 110 21.931 19.478 20.753 821 HG1 THR 110 HG1 THR 110 21.768 18.205 23.300 822 HG21 THR 110 3HG2 THR 110 22.875 21.342 22.087 823 HG22 THR 110 1HG2 THR 110 23.883 19.896 22.122 824 HG23 THR 110 2HG2 THR 110 22.865 20.295 23.506 Start of MODEL 11 1 H1 MET 1 H MET 1 16.607 -6.342 -2.313 2 HA MET 1 HA MET 1 18.102 -5.978 -0.634 3 HB2 MET 1 2HB MET 1 20.358 -5.049 -1.240 4 HB3 MET 1 3HB MET 1 19.896 -6.498 -2.122 5 HG2 MET 1 2HG MET 1 19.300 -5.167 -4.055 6 HG3 MET 1 3HG MET 1 19.674 -3.688 -3.173 7 HE1 MET 1 3HE MET 1 20.869 -2.807 -4.786 8 HE2 MET 1 1HE MET 1 22.519 -2.658 -4.183 9 HE3 MET 1 2HE MET 1 22.210 -3.489 -5.707 10 H LEU 2 H LEU 2 16.070 -4.009 -1.464 11 HA LEU 2 HA LEU 2 17.085 -1.775 0.105 12 HB2 LEU 2 2HB LEU 2 16.613 -0.104 -1.445 13 HB3 LEU 2 3HB LEU 2 17.437 -1.347 -2.383 14 HG LEU 2 HG LEU 2 14.862 -2.054 -2.797 15 HD11 LEU 2 1HD1 LEU 2 13.767 0.195 -3.391 16 HD12 LEU 2 2HD1 LEU 2 14.909 0.889 -2.241 17 HD13 LEU 2 3HD1 LEU 2 13.750 -0.327 -1.706 18 HD21 LEU 2 3HD2 LEU 2 15.077 -0.887 -4.961 19 HD22 LEU 2 1HD2 LEU 2 16.530 -1.785 -4.524 20 HD23 LEU 2 2HD2 LEU 2 16.488 -0.032 -4.336 21 H GLN 3 H GLN 3 15.359 -0.319 0.825 22 HA GLN 3 HA GLN 3 12.710 -1.604 0.810 23 HB2 GLN 3 2HB GLN 3 14.020 -0.253 3.176 24 HB3 GLN 3 3HB GLN 3 12.415 -0.970 3.153 25 HG2 GLN 3 2HG GLN 3 13.234 -2.964 3.640 26 HG3 GLN 3 3HG GLN 3 14.359 -2.889 2.286 27 HE21 GLN 3 1HE2 GLN 3 13.905 -2.264 5.678 28 HE22 GLN 3 2HE2 GLN 3 15.577 -2.095 6.077 29 H GLU 4 H GLU 4 10.911 -0.221 0.948 30 HA GLU 4 HA GLU 4 11.113 2.186 -0.457 31 HB2 GLU 4 2HB GLU 4 9.003 0.707 0.947 32 HB3 GLU 4 3HB GLU 4 8.750 2.446 0.914 33 HG2 GLU 4 2HG GLU 4 8.341 2.484 -1.295 34 HG3 GLU 4 3HG GLU 4 9.532 1.233 -1.647 35 H ARG 5 H ARG 5 11.439 1.492 2.919 36 HA ARG 5 HA ARG 5 12.011 2.776 4.707 37 HB2 ARG 5 2HB ARG 5 13.713 3.646 3.090 38 HB3 ARG 5 3HB ARG 5 12.593 4.938 2.677 39 HG2 ARG 5 2HG ARG 5 14.317 5.645 4.277 40 HG3 ARG 5 3HG ARG 5 12.684 5.794 4.929 41 HD2 ARG 5 2HD ARG 5 13.126 4.374 6.589 42 HD3 ARG 5 3HD ARG 5 13.826 3.194 5.483 43 HE ARG 5 HE ARG 5 15.756 5.093 5.719 44 HH11 ARG 5 1HH1 ARG 5 13.950 3.166 7.988 45 HH12 ARG 5 2HH1 ARG 5 15.222 3.123 9.163 46 HH21 ARG 5 1HH2 ARG 5 17.438 5.044 7.259 47 HH22 ARG 5 2HH2 ARG 5 17.205 4.192 8.748 48 H VAL 6 H VAL 6 11.292 4.584 6.029 49 HA VAL 6 HA VAL 6 8.582 5.420 5.276 50 HB VAL 6 HB VAL 6 8.904 4.186 7.424 51 HG11 VAL 6 1HG1 VAL 6 10.239 4.903 9.103 52 HG12 VAL 6 2HG1 VAL 6 11.106 5.682 7.778 53 HG13 VAL 6 3HG1 VAL 6 9.957 6.607 8.746 54 HG21 VAL 6 3HG2 VAL 6 7.912 7.008 7.806 55 HG22 VAL 6 1HG2 VAL 6 7.002 5.735 6.991 56 HG23 VAL 6 2HG2 VAL 6 7.414 5.570 8.697 57 H PHE 7 H PHE 7 7.900 7.567 5.488 58 HA PHE 7 HA PHE 7 10.088 9.526 5.400 59 HB2 PHE 7 2HB PHE 7 7.279 9.622 4.292 60 HB3 PHE 7 3HB PHE 7 8.374 11.001 4.290 61 HD1 PHE 7 HD2 PHE 7 10.782 10.416 3.277 62 HD2 PHE 7 HD1 PHE 7 7.153 8.383 2.375 63 HE1 PHE 7 HE2 PHE 7 11.746 9.646 1.149 64 HE2 PHE 7 HE1 PHE 7 8.112 7.609 0.246 65 HZ PHE 7 HZ PHE 7 10.411 8.241 -0.371 66 H HIS 8 H HIS 8 10.311 10.957 6.988 67 HA HIS 8 HA HIS 8 8.003 11.494 8.736 68 HB2 HIS 8 2HB HIS 8 9.913 9.960 9.655 69 HB3 HIS 8 3HB HIS 8 10.797 11.474 9.827 70 HD1 HIS 8 HD1 HIS 8 7.115 11.375 10.466 71 HD2 HIS 8 HD2 HIS 8 10.668 11.358 12.620 72 HE1 HIS 8 HE1 HIS 8 6.453 11.779 12.859 73 H ILE 9 H ILE 9 8.399 13.511 10.101 74 HA ILE 9 HA ILE 9 8.632 15.735 8.479 75 HB ILE 9 HB ILE 9 7.561 15.893 10.635 76 HG12 ILE 9 2HG1 ILE 9 9.779 17.706 11.251 77 HG13 ILE 9 3HG1 ILE 9 9.256 17.788 9.572 78 HG21 ILE 9 1HG2 ILE 9 8.726 15.743 12.722 79 HG22 ILE 9 2HG2 ILE 9 9.083 14.293 11.786 80 HG23 ILE 9 3HG2 ILE 9 10.278 15.585 11.900 81 HD11 ILE 9 3HD1 ILE 9 7.072 18.416 10.184 82 HD12 ILE 9 1HD1 ILE 9 7.345 17.999 11.875 83 HD13 ILE 9 2HD1 ILE 9 8.160 19.395 11.168 84 H ASN 10 H ASN 10 11.109 14.157 10.445 85 HA ASN 10 HA ASN 10 13.131 16.089 10.042 86 HB2 ASN 10 2HB ASN 10 13.613 13.148 10.516 87 HB3 ASN 10 3HB ASN 10 14.632 14.505 10.988 88 HD21 ASN 10 1HD2 ASN 10 12.499 12.280 12.092 89 HD22 ASN 10 2HD2 ASN 10 11.952 13.082 13.521 90 H ASP 11 H ASP 11 12.426 13.018 8.397 91 HA ASP 11 HA ASP 11 13.220 12.122 6.450 92 HB2 ASP 11 2HB ASP 11 11.819 14.331 5.876 93 HB3 ASP 11 3HB ASP 11 13.376 14.821 5.214 94 H ARG 12 H ARG 12 15.270 11.442 7.057 95 HA ARG 12 HA ARG 12 17.520 13.226 7.013 96 HB2 ARG 12 2HB ARG 12 18.836 11.102 7.314 97 HB3 ARG 12 3HB ARG 12 17.624 11.408 8.551 98 HG2 ARG 12 2HG ARG 12 16.658 9.460 8.145 99 HG3 ARG 12 3HG ARG 12 16.462 9.869 6.440 100 HD2 ARG 12 2HD ARG 12 17.828 8.096 6.147 101 HD3 ARG 12 3HD ARG 12 19.084 9.289 6.473 102 HE ARG 12 HE ARG 12 18.326 8.260 8.924 103 HH11 ARG 12 1HH1 ARG 12 19.710 7.065 5.962 104 HH12 ARG 12 2HH1 ARG 12 20.594 5.791 6.736 105 HH21 ARG 12 1HH2 ARG 12 19.484 6.587 9.955 106 HH22 ARG 12 2HH2 ARG 12 20.463 5.519 9.007 107 H VAL 13 H VAL 13 18.130 14.037 5.104 108 HA VAL 13 HA VAL 13 18.868 12.162 2.990 109 HB VAL 13 HB VAL 13 17.877 13.753 1.275 110 HG11 VAL 13 1HG1 VAL 13 16.906 11.498 2.341 111 HG12 VAL 13 2HG1 VAL 13 15.601 12.604 2.773 112 HG13 VAL 13 3HG1 VAL 13 16.067 12.405 1.083 113 HG21 VAL 13 3HG2 VAL 13 16.026 14.608 3.471 114 HG22 VAL 13 1HG2 VAL 13 17.491 15.521 3.112 115 HG23 VAL 13 2HG2 VAL 13 16.255 15.313 1.871 116 H TRP 14 H TRP 14 19.985 13.457 1.148 117 HA TRP 14 HA TRP 14 21.722 15.483 2.399 118 HB2 TRP 14 2HB TRP 14 22.937 13.414 1.941 119 HB3 TRP 14 3HB TRP 14 22.411 13.456 0.261 120 HD1 TRP 14 HD1 TRP 14 23.243 15.920 -1.021 121 HE1 TRP 14 HE1 TRP 14 25.615 16.919 -0.958 122 HE3 TRP 14 HE3 TRP 14 25.010 13.554 3.153 123 HZ2 TRP 14 HZ2 TRP 14 27.928 16.728 0.648 124 HZ3 TRP 14 HZ3 TRP 14 27.313 14.017 3.885 125 HH2 TRP 14 HH2 TRP 14 28.741 15.571 2.657 126 H LEU 15 H LEU 15 21.916 17.411 1.424 127 HA LEU 15 HA LEU 15 20.785 17.705 -1.280 128 HB2 LEU 15 2HB LEU 15 19.467 18.664 0.715 129 HB3 LEU 15 3HB LEU 15 20.733 19.889 0.773 130 HG LEU 15 HG LEU 15 19.414 19.476 -1.844 131 HD11 LEU 15 1HD1 LEU 15 17.989 21.106 0.221 132 HD12 LEU 15 2HD1 LEU 15 17.629 19.392 0.019 133 HD13 LEU 15 3HD1 LEU 15 17.403 20.505 -1.330 134 HD21 LEU 15 3HD2 LEU 15 21.062 21.387 -0.575 135 HD22 LEU 15 1HD2 LEU 15 19.513 22.165 -0.901 136 HD23 LEU 15 2HD2 LEU 15 20.419 21.417 -2.217 137 H LYS 16 H LYS 16 22.156 18.467 -2.741 138 HA LYS 16 HA LYS 16 24.665 19.673 -1.823 139 HB2 LYS 16 2HB LYS 16 24.057 17.769 -3.807 140 HB3 LYS 16 3HB LYS 16 24.556 19.219 -4.667 141 HG2 LYS 16 2HG LYS 16 26.171 18.067 -2.416 142 HG3 LYS 16 3HG LYS 16 26.360 17.531 -4.087 143 HD2 LYS 16 2HD LYS 16 26.564 20.417 -3.252 144 HD3 LYS 16 3HD LYS 16 27.955 19.333 -3.321 145 HE2 LYS 16 2HE LYS 16 27.398 18.892 -5.712 146 HE3 LYS 16 3HE LYS 16 26.147 20.128 -5.599 147 HZ1 LYS 16 3HZ LYS 16 27.840 21.403 -6.349 148 HZ2 LYS 16 1HZ LYS 16 29.047 20.421 -5.683 149 HZ3 LYS 16 2HZ LYS 16 28.201 21.507 -4.700 150 H THR 17 H THR 17 24.662 21.817 -1.729 151 HA THR 17 HA THR 17 22.829 23.554 -2.842 152 HB THR 17 HB THR 17 25.683 24.420 -2.510 153 HG1 THR 17 HG1 THR 17 24.928 24.657 -0.184 154 HG21 THR 17 3HG2 THR 17 23.364 25.856 -1.348 155 HG22 THR 17 1HG2 THR 17 23.499 25.841 -3.106 156 HG23 THR 17 2HG2 THR 17 24.814 26.490 -2.126 157 H GLY 18 H GLY 18 25.823 22.309 -4.229 158 HA2 GLY 18 2HA GLY 18 26.012 21.993 -6.601 159 HA3 GLY 18 3HA GLY 18 24.957 23.379 -6.831 160 H ALA 19 H ALA 19 27.666 23.317 -4.600 161 HA ALA 19 HA ALA 19 29.556 24.513 -6.345 162 HB1 ALA 19 1HB ALA 19 29.570 26.763 -5.185 163 HB2 ALA 19 2HB ALA 19 28.238 26.470 -6.304 164 HB3 ALA 19 3HB ALA 19 27.971 26.347 -4.565 165 H ASN 20 H ASN 20 29.890 22.410 -4.739 166 HA ASN 20 HA ASN 20 31.339 21.541 -3.213 167 HB2 ASN 20 2HB ASN 20 32.421 24.136 -3.825 168 HB3 ASN 20 3HB ASN 20 32.679 23.775 -2.120 169 HD21 ASN 20 1HD2 ASN 20 34.118 23.633 -4.983 170 HD22 ASN 20 2HD2 ASN 20 35.128 22.248 -4.771 171 H THR 21 H THR 21 28.737 23.157 -2.548 172 HA THR 21 HA THR 21 29.140 23.124 0.373 173 HB THR 21 HB THR 21 26.877 24.679 -0.773 174 HG1 THR 21 HG1 THR 21 29.594 25.286 -1.131 175 HG21 THR 21 3HG2 THR 21 26.811 25.010 1.460 176 HG22 THR 21 1HG2 THR 21 28.062 26.207 1.130 177 HG23 THR 21 2HG2 THR 21 28.510 24.591 1.675 178 H TRP 22 H TRP 22 27.913 21.765 1.515 179 HA TRP 22 HA TRP 22 25.464 20.701 0.282 180 HB2 TRP 22 2HB TRP 22 26.104 18.497 1.466 181 HB3 TRP 22 3HB TRP 22 26.935 18.905 -0.032 182 HD1 TRP 22 HD1 TRP 22 27.531 18.501 3.710 183 HE1 TRP 22 HE1 TRP 22 30.066 18.503 4.154 184 HE3 TRP 22 HE3 TRP 22 29.169 19.817 -0.951 185 HZ2 TRP 22 HZ2 TRP 22 32.446 18.997 2.718 186 HZ3 TRP 22 HZ3 TRP 22 31.591 20.033 -1.332 187 HH2 TRP 22 HH2 TRP 22 33.193 19.632 0.466 188 H TRP 23 H TRP 23 23.731 20.764 1.564 189 HA TRP 23 HA TRP 23 24.133 20.967 4.470 190 HB2 TRP 23 2HB TRP 23 22.887 22.915 2.667 191 HB3 TRP 23 3HB TRP 23 21.875 22.479 4.041 192 HD1 TRP 23 HD1 TRP 23 25.704 23.136 3.857 193 HE1 TRP 23 HE1 TRP 23 26.286 24.890 5.648 194 HE3 TRP 23 HE3 TRP 23 21.006 24.051 5.654 195 HZ2 TRP 23 HZ2 TRP 23 24.933 26.454 7.570 196 HZ3 TRP 23 HZ3 TRP 23 20.736 25.690 7.470 197 HH2 TRP 23 HH2 TRP 23 22.660 26.865 8.407 198 HA PRO 24 HA PRO 24 21.053 17.851 4.791 199 HB2 PRO 24 2HB PRO 24 20.013 18.433 7.230 200 HB3 PRO 24 3HB PRO 24 21.612 17.712 7.015 201 HG2 PRO 24 2HG PRO 24 20.874 20.570 7.514 202 HG3 PRO 24 3HG PRO 24 22.184 19.611 8.229 203 HD2 PRO 24 2HD PRO 24 22.600 21.370 6.213 204 HD3 PRO 24 3HD PRO 24 23.555 19.885 6.396 205 H ALA 25 H ALA 25 18.959 17.542 4.239 206 HA ALA 25 HA ALA 25 17.184 19.898 4.258 207 HB1 ALA 25 1HB ALA 25 17.959 18.140 2.083 208 HB2 ALA 25 2HB ALA 25 16.209 18.247 2.271 209 HB3 ALA 25 3HB ALA 25 17.161 19.712 2.038 210 H LYS 26 H LYS 26 15.208 19.663 5.135 211 HA LYS 26 HA LYS 26 14.320 16.944 5.837 212 HB2 LYS 26 2HB LYS 26 13.523 17.734 7.975 213 HB3 LYS 26 3HB LYS 26 15.228 18.137 7.816 214 HG2 LYS 26 2HG LYS 26 14.596 20.162 8.511 215 HG3 LYS 26 3HG LYS 26 14.054 20.388 6.846 216 HD2 LYS 26 2HD LYS 26 11.974 20.661 7.579 217 HD3 LYS 26 3HD LYS 26 11.998 19.017 8.224 218 HE2 LYS 26 2HE LYS 26 12.446 19.713 10.349 219 HE3 LYS 26 3HE LYS 26 13.332 21.139 9.812 220 HZ1 LYS 26 3HZ LYS 26 11.520 22.345 10.125 221 HZ2 LYS 26 1HZ LYS 26 10.679 20.980 10.665 222 HZ3 LYS 26 2HZ LYS 26 10.653 21.396 9.026 223 H VAL 27 H VAL 27 12.320 16.458 5.202 224 HA VAL 27 HA VAL 27 10.703 18.526 3.953 225 HB VAL 27 HB VAL 27 10.094 15.577 4.155 226 HG11 VAL 27 1HG1 VAL 27 9.098 16.707 1.788 227 HG12 VAL 27 2HG1 VAL 27 8.179 16.153 3.189 228 HG13 VAL 27 3HG1 VAL 27 8.693 17.837 3.078 229 HG21 VAL 27 3HG2 VAL 27 10.933 15.927 1.609 230 HG22 VAL 27 1HG2 VAL 27 11.995 17.050 2.459 231 HG23 VAL 27 2HG2 VAL 27 11.964 15.347 2.917 232 H THR 28 H THR 28 9.138 19.559 4.985 233 HA THR 28 HA THR 28 8.258 18.662 7.591 234 HB THR 28 HB THR 28 8.669 21.035 7.291 235 HG1 THR 28 HG1 THR 28 7.053 21.377 8.604 236 HG21 THR 28 3HG2 THR 28 8.282 21.716 5.156 237 HG22 THR 28 1HG2 THR 28 6.725 22.175 5.843 238 HG23 THR 28 2HG2 THR 28 6.885 20.659 4.955 239 H SER 29 H SER 29 7.355 17.946 4.498 240 HA SER 29 HA SER 29 5.555 16.898 3.584 241 HB2 SER 29 2HB SER 29 5.712 15.792 5.991 242 HB3 SER 29 3HB SER 29 4.186 16.645 6.227 243 HG SER 29 HG SER 29 3.283 15.121 5.120 244 H VAL 30 H VAL 30 5.391 19.439 3.147 245 HA VAL 30 HA VAL 30 2.611 20.178 3.789 246 HB VAL 30 HB VAL 30 4.955 22.063 3.496 247 HG11 VAL 30 1HG1 VAL 30 3.458 23.612 2.953 248 HG12 VAL 30 2HG1 VAL 30 2.129 22.471 3.170 249 HG13 VAL 30 3HG1 VAL 30 2.729 23.400 4.545 250 HG21 VAL 30 3HG2 VAL 30 4.789 20.765 5.643 251 HG22 VAL 30 1HG2 VAL 30 4.723 22.518 5.820 252 HG23 VAL 30 2HG2 VAL 30 3.243 21.565 5.925 253 H THR 31 H THR 31 1.423 20.040 2.012 254 HA THR 31 HA THR 31 2.583 20.135 -0.615 255 HB THR 31 HB THR 31 0.724 18.624 -0.200 256 HG1 THR 31 HG1 THR 31 0.173 18.983 -2.203 257 HG21 THR 31 3HG2 THR 31 -1.227 19.192 0.776 258 HG22 THR 31 1HG2 THR 31 -1.331 20.723 -0.092 259 HG23 THR 31 2HG2 THR 31 -0.328 20.595 1.353 260 H GLY 32 H GLY 32 1.603 21.530 -2.341 261 HA2 GLY 32 2HA GLY 32 1.118 24.246 -1.277 262 HA3 GLY 32 3HA GLY 32 2.074 23.932 -2.718 263 H VAL 33 H VAL 33 -1.022 22.500 -1.761 264 HA VAL 33 HA VAL 33 -2.434 24.031 -3.788 265 HB VAL 33 HB VAL 33 -2.228 21.021 -3.943 266 HG11 VAL 33 1HG1 VAL 33 -3.594 21.884 -6.169 267 HG12 VAL 33 2HG1 VAL 33 -4.311 21.123 -4.747 268 HG13 VAL 33 3HG1 VAL 33 -4.264 22.881 -4.878 269 HG21 VAL 33 3HG2 VAL 33 -1.312 23.221 -5.789 270 HG22 VAL 33 1HG2 VAL 33 -0.309 22.046 -4.937 271 HG23 VAL 33 2HG2 VAL 33 -1.373 21.517 -6.239 272 H GLU 34 H GLU 34 -3.136 20.907 -2.248 273 HA GLU 34 HA GLU 34 -4.696 21.849 -0.138 274 HB2 GLU 34 2HB GLU 34 -6.977 21.272 -1.098 275 HB3 GLU 34 3HB GLU 34 -6.258 22.780 -1.645 276 HG2 GLU 34 2HG GLU 34 -6.091 22.086 -3.770 277 HG3 GLU 34 3HG GLU 34 -5.651 20.442 -3.310 278 H GLY 35 H GLY 35 -2.854 19.737 -0.797 279 HA2 GLY 35 2HA GLY 35 -2.701 17.634 0.284 280 HA3 GLY 35 3HA GLY 35 -4.450 17.488 0.191 281 H VAL 36 H VAL 36 -2.212 18.294 -2.426 282 HA VAL 36 HA VAL 36 -3.294 16.058 -3.964 283 HB VAL 36 HB VAL 36 -1.408 18.212 -4.920 284 HG11 VAL 36 1HG1 VAL 36 -3.264 16.377 -6.433 285 HG12 VAL 36 2HG1 VAL 36 -2.179 17.580 -7.133 286 HG13 VAL 36 3HG1 VAL 36 -1.517 16.176 -6.296 287 HG21 VAL 36 3HG2 VAL 36 -3.378 19.315 -4.117 288 HG22 VAL 36 1HG2 VAL 36 -3.453 19.269 -5.879 289 HG23 VAL 36 2HG2 VAL 36 -4.422 18.146 -4.924 290 H ASP 37 H ASP 37 -0.420 17.037 -2.321 291 HA ASP 37 HA ASP 37 1.539 15.573 -3.640 292 HB2 ASP 37 2HB ASP 37 2.193 17.112 -1.932 293 HB3 ASP 37 3HB ASP 37 1.231 16.272 -0.719 294 H GLY 38 H GLY 38 -1.048 14.501 -1.599 295 HA2 GLY 38 2HA GLY 38 0.127 11.863 -1.215 296 HA3 GLY 38 3HA GLY 38 -1.411 12.423 -0.575 297 H ARG 39 H ARG 39 -1.879 13.427 -3.486 298 HA ARG 39 HA ARG 39 -3.105 10.922 -4.363 299 HB2 ARG 39 2HB ARG 39 -3.522 13.768 -5.298 300 HB3 ARG 39 3HB ARG 39 -4.389 12.369 -5.918 301 HG2 ARG 39 2HG ARG 39 -5.355 11.972 -3.722 302 HG3 ARG 39 3HG ARG 39 -4.455 13.343 -3.069 303 HD2 ARG 39 2HD ARG 39 -6.207 14.612 -3.593 304 HD3 ARG 39 3HD ARG 39 -5.775 14.371 -5.285 305 HE ARG 39 HE ARG 39 -7.301 12.184 -4.501 306 HH11 ARG 39 1HH1 ARG 39 -7.682 15.624 -4.876 307 HH12 ARG 39 2HH1 ARG 39 -9.373 15.528 -5.242 308 HH21 ARG 39 1HH2 ARG 39 -9.526 12.044 -4.982 309 HH22 ARG 39 2HH2 ARG 39 -10.421 13.491 -5.301 310 H SER 40 H SER 40 -1.863 13.657 -6.258 311 HA SER 40 HA SER 40 0.354 12.425 -7.389 312 HB2 SER 40 2HB SER 40 -2.224 11.627 -8.591 313 HB3 SER 40 3HB SER 40 -0.986 12.139 -9.738 314 HG SER 40 HG SER 40 -0.748 9.949 -9.374 315 H SER 41 H SER 41 1.447 13.812 -8.716 316 HA SER 41 HA SER 41 0.739 16.518 -8.708 317 HB2 SER 41 2HB SER 41 3.013 15.091 -9.315 318 HB3 SER 41 3HB SER 41 2.549 15.747 -10.885 319 HG SER 41 HG SER 41 3.921 17.043 -9.282 320 H GLU 42 H GLU 42 -0.198 13.971 -10.797 321 HA GLU 42 HA GLU 42 -0.691 15.332 -13.185 322 HB2 GLU 42 2HB GLU 42 -2.260 13.536 -13.704 323 HB3 GLU 42 3HB GLU 42 -0.793 12.890 -12.982 324 HG2 GLU 42 2HG GLU 42 -2.094 11.775 -11.582 325 HG3 GLU 42 3HG GLU 42 -2.471 13.321 -10.824 326 H THR 43 H THR 43 -2.523 15.178 -10.208 327 HA THR 43 HA THR 43 -5.007 16.065 -11.004 328 HB THR 43 HB THR 43 -3.705 17.114 -8.501 329 HG1 THR 43 HG1 THR 43 -3.316 15.069 -8.069 330 HG21 THR 43 3HG2 THR 43 -5.999 16.719 -7.598 331 HG22 THR 43 1HG2 THR 43 -6.516 16.291 -9.228 332 HG23 THR 43 2HG2 THR 43 -5.937 17.921 -8.887 333 H GLY 44 H GLY 44 -2.553 18.244 -9.595 334 HA2 GLY 44 2HA GLY 44 -3.225 20.245 -11.631 335 HA3 GLY 44 3HA GLY 44 -3.452 20.676 -9.943 336 H THR 45 H THR 45 -1.520 20.494 -8.533 337 HA THR 45 HA THR 45 1.070 20.491 -9.791 338 HB THR 45 HB THR 45 1.495 22.860 -8.697 339 HG1 THR 45 HG1 THR 45 -1.217 23.098 -9.532 340 HG21 THR 45 3HG2 THR 45 1.595 23.706 -10.822 341 HG22 THR 45 1HG2 THR 45 0.041 23.016 -11.289 342 HG23 THR 45 2HG2 THR 45 1.471 21.988 -11.200 343 H SER 46 H SER 46 0.786 18.711 -8.098 344 HA SER 46 HA SER 46 0.784 19.346 -5.347 345 HB2 SER 46 2HB SER 46 1.421 17.046 -4.981 346 HB3 SER 46 3HB SER 46 0.265 17.091 -6.311 347 HG SER 46 HG SER 46 3.011 16.552 -6.346 348 H THR 47 H THR 47 2.265 20.680 -4.515 349 HA THR 47 HA THR 47 5.101 20.141 -5.120 350 HB THR 47 HB THR 47 5.626 22.448 -4.867 351 HG1 THR 47 HG1 THR 47 2.962 23.200 -4.389 352 HG21 THR 47 3HG2 THR 47 4.177 21.558 -6.939 353 HG22 THR 47 1HG2 THR 47 4.750 23.221 -6.817 354 HG23 THR 47 2HG2 THR 47 3.094 22.823 -6.358 355 H VAL 48 H VAL 48 6.319 19.533 -3.456 356 HA VAL 48 HA VAL 48 5.207 19.727 -0.756 357 HB VAL 48 HB VAL 48 7.598 18.160 -1.736 358 HG11 VAL 48 1HG1 VAL 48 7.359 16.978 0.439 359 HG12 VAL 48 2HG1 VAL 48 7.831 18.671 0.599 360 HG13 VAL 48 3HG1 VAL 48 6.165 18.184 0.916 361 HG21 VAL 48 3HG2 VAL 48 6.081 16.762 -2.584 362 HG22 VAL 48 1HG2 VAL 48 5.624 16.395 -0.920 363 HG23 VAL 48 2HG2 VAL 48 4.748 17.630 -1.824 364 H THR 49 H THR 49 5.757 21.476 0.359 365 HA THR 49 HA THR 49 8.235 22.881 -0.189 366 HB THR 49 HB THR 49 6.222 23.565 1.951 367 HG1 THR 49 HG1 THR 49 4.898 24.033 0.377 368 HG21 THR 49 3HG2 THR 49 8.181 25.253 0.390 369 HG22 THR 49 1HG2 THR 49 8.382 24.725 2.060 370 HG23 THR 49 2HG2 THR 49 7.077 25.833 1.637 371 H VAL 50 H VAL 50 10.070 22.476 0.839 372 HA VAL 50 HA VAL 50 9.944 21.257 3.522 373 HB VAL 50 HB VAL 50 11.949 20.056 3.092 374 HG11 VAL 50 1HG1 VAL 50 9.812 19.178 2.105 375 HG12 VAL 50 2HG1 VAL 50 10.349 19.821 0.552 376 HG13 VAL 50 3HG1 VAL 50 11.289 18.566 1.361 377 HG21 VAL 50 3HG2 VAL 50 12.165 21.849 0.710 378 HG22 VAL 50 1HG2 VAL 50 13.372 21.464 1.937 379 HG23 VAL 50 2HG2 VAL 50 12.959 20.274 0.702 380 H LEU 51 H LEU 51 11.429 21.947 5.081 381 HA LEU 51 HA LEU 51 13.057 24.295 4.414 382 HB2 LEU 51 2HB LEU 51 10.693 24.672 5.569 383 HB3 LEU 51 3HB LEU 51 11.626 24.294 7.016 384 HG LEU 51 HG LEU 51 12.174 26.549 5.086 385 HD11 LEU 51 1HD1 LEU 51 10.165 26.741 6.609 386 HD12 LEU 51 2HD1 LEU 51 11.378 28.012 6.756 387 HD13 LEU 51 3HD1 LEU 51 11.302 26.724 7.958 388 HD21 LEU 51 3HD2 LEU 51 13.532 25.886 7.696 389 HD22 LEU 51 1HD2 LEU 51 13.904 27.231 6.616 390 HD23 LEU 51 2HD2 LEU 51 14.212 25.573 6.098 391 H THR 52 H THR 52 15.068 23.669 4.838 392 HA THR 52 HA THR 52 15.796 21.589 6.581 393 HB THR 52 HB THR 52 18.046 22.141 6.151 394 HG1 THR 52 HG1 THR 52 18.268 24.251 6.670 395 HG21 THR 52 3HG2 THR 52 16.924 23.353 3.679 396 HG22 THR 52 1HG2 THR 52 16.390 21.731 4.116 397 HG23 THR 52 2HG2 THR 52 18.105 22.057 3.867 398 H TYR 53 H TYR 53 17.833 22.392 8.159 399 HA TYR 53 HA TYR 53 16.450 23.990 10.200 400 HB2 TYR 53 2HB TYR 53 18.093 21.591 10.279 401 HB3 TYR 53 3HB TYR 53 18.673 22.819 11.399 402 HD1 TYR 53 HD1 TYR 53 15.439 21.262 10.341 403 HD2 TYR 53 HD2 TYR 53 17.795 22.808 13.530 404 HE1 TYR 53 HE1 TYR 53 13.684 20.621 11.941 405 HE2 TYR 53 HE2 TYR 53 16.047 22.169 15.138 406 HH TYR 53 HH TYR 53 13.117 20.467 14.088 407 HA PRO 54 HA PRO 54 19.342 27.280 9.889 408 HB2 PRO 54 2HB PRO 54 19.347 28.178 12.451 409 HB3 PRO 54 3HB PRO 54 17.990 28.430 11.348 410 HG2 PRO 54 2HG PRO 54 18.330 26.370 13.493 411 HG3 PRO 54 3HG PRO 54 16.901 27.339 13.088 412 HD2 PRO 54 2HD PRO 54 17.186 24.764 12.301 413 HD3 PRO 54 3HD PRO 54 16.314 25.967 11.331 414 H GLY 55 H GLY 55 21.505 27.419 9.876 415 HA2 GLY 55 2HA GLY 55 23.036 25.476 11.406 416 HA3 GLY 55 3HA GLY 55 23.650 26.520 10.132 417 H THR 56 H THR 56 25.366 27.433 11.133 418 HA THR 56 HA THR 56 24.971 28.662 13.764 419 HB THR 56 HB THR 56 26.937 27.235 13.562 420 HG1 THR 56 HG1 THR 56 27.776 29.955 13.616 421 HG21 THR 56 3HG2 THR 56 27.330 27.468 11.160 422 HG22 THR 56 1HG2 THR 56 28.791 27.842 12.074 423 HG23 THR 56 2HG2 THR 56 27.817 29.146 11.394 424 H GLN 57 H GLN 57 25.647 29.438 10.423 425 HA GLN 57 HA GLN 57 25.469 32.295 11.113 426 HB2 GLN 57 2HB GLN 57 27.532 30.863 9.601 427 HB3 GLN 57 3HB GLN 57 26.890 32.268 8.759 428 HG2 GLN 57 2HG GLN 57 27.616 32.635 11.599 429 HG3 GLN 57 3HG GLN 57 28.938 32.391 10.460 430 HE21 GLN 57 1HE2 GLN 57 28.260 33.685 8.269 431 HE22 GLN 57 2HE2 GLN 57 27.994 35.365 8.567 432 H ASN 58 H ASN 58 24.775 29.735 8.819 433 HA ASN 58 HA ASN 58 23.149 31.546 7.198 434 HB2 ASN 58 2HB ASN 58 24.781 29.450 6.498 435 HB3 ASN 58 3HB ASN 58 23.185 28.708 6.448 436 HD21 ASN 58 1HD2 ASN 58 21.522 29.921 5.217 437 HD22 ASN 58 2HD2 ASN 58 22.018 30.712 3.764 438 H LYS 59 H LYS 59 20.948 31.297 6.906 439 HA LYS 59 HA LYS 59 19.607 29.665 8.949 440 HB2 LYS 59 2HB LYS 59 19.299 32.342 8.249 441 HB3 LYS 59 3HB LYS 59 17.908 31.547 7.523 442 HG2 LYS 59 2HG LYS 59 18.594 30.950 10.359 443 HG3 LYS 59 3HG LYS 59 17.803 32.478 9.964 444 HD2 LYS 59 2HD LYS 59 16.398 30.525 8.540 445 HD3 LYS 59 3HD LYS 59 16.688 29.823 10.133 446 HE2 LYS 59 2HE LYS 59 14.667 30.962 10.380 447 HE3 LYS 59 3HE LYS 59 15.862 32.068 11.056 448 HZ1 LYS 59 3HZ LYS 59 14.659 33.459 9.717 449 HZ2 LYS 59 1HZ LYS 59 14.350 32.275 8.548 450 HZ3 LYS 59 2HZ LYS 59 15.878 32.994 8.640 451 H ALA 60 H ALA 60 17.843 28.357 8.419 452 HA ALA 60 HA ALA 60 17.981 27.120 5.854 453 HB1 ALA 60 1HB ALA 60 17.467 25.804 7.813 454 HB2 ALA 60 2HB ALA 60 16.010 26.754 8.105 455 HB3 ALA 60 3HB ALA 60 16.121 25.726 6.677 456 H THR 61 H THR 61 16.633 27.264 4.123 457 HA THR 61 HA THR 61 14.644 29.431 4.200 458 HB THR 61 HB THR 61 15.538 28.308 1.596 459 HG1 THR 61 HG1 THR 61 17.554 28.876 1.863 460 HG21 THR 61 3HG2 THR 61 15.671 31.048 1.507 461 HG22 THR 61 1HG2 THR 61 14.379 30.768 2.673 462 HG23 THR 61 2HG2 THR 61 14.269 30.079 1.053 463 H TYR 62 H TYR 62 12.770 29.129 2.685 464 HA TYR 62 HA TYR 62 11.867 26.323 2.728 465 HB2 TYR 62 2HB TYR 62 9.558 27.234 2.995 466 HB3 TYR 62 3HB TYR 62 10.612 27.576 4.362 467 HD1 TYR 62 HD1 TYR 62 11.519 29.871 4.673 468 HD2 TYR 62 HD2 TYR 62 8.617 28.990 1.689 469 HE1 TYR 62 HE1 TYR 62 11.005 32.268 4.476 470 HE2 TYR 62 HE2 TYR 62 8.095 31.385 1.482 471 HH TYR 62 HH TYR 62 8.579 33.440 2.157 472 H LYS 63 H LYS 63 11.448 25.474 0.808 473 HA LYS 63 HA LYS 63 10.471 27.192 -1.353 474 HB2 LYS 63 2HB LYS 63 12.913 27.014 -1.637 475 HB3 LYS 63 3HB LYS 63 12.780 25.261 -1.649 476 HG2 LYS 63 2HG LYS 63 12.041 25.194 -3.775 477 HG3 LYS 63 3HG LYS 63 11.114 26.688 -3.616 478 HD2 LYS 63 2HD LYS 63 12.763 27.891 -4.510 479 HD3 LYS 63 3HD LYS 63 13.951 27.193 -3.406 480 HE2 LYS 63 2HE LYS 63 14.107 25.217 -4.876 481 HE3 LYS 63 3HE LYS 63 12.978 25.982 -5.993 482 HZ1 LYS 63 3HZ LYS 63 14.803 26.792 -6.954 483 HZ2 LYS 63 1HZ LYS 63 15.790 26.452 -5.623 484 HZ3 LYS 63 2HZ LYS 63 14.878 27.876 -5.657 485 H ASN 64 H ASN 64 9.281 26.104 -2.966 486 HA ASN 64 HA ASN 64 8.216 23.525 -2.068 487 HB2 ASN 64 2HB ASN 64 6.289 24.000 -3.457 488 HB3 ASN 64 3HB ASN 64 6.630 25.406 -2.452 489 HD21 ASN 64 1HD2 ASN 64 5.321 24.949 -5.149 490 HD22 ASN 64 2HD2 ASN 64 6.070 26.119 -6.176 491 H VAL 65 H VAL 65 8.553 21.694 -3.163 492 HA VAL 65 HA VAL 65 9.288 21.766 -5.978 493 HB VAL 65 HB VAL 65 11.260 20.325 -5.652 494 HG11 VAL 65 1HG1 VAL 65 11.563 22.724 -5.927 495 HG12 VAL 65 2HG1 VAL 65 11.403 22.957 -4.185 496 HG13 VAL 65 3HG1 VAL 65 12.780 22.064 -4.834 497 HG21 VAL 65 3HG2 VAL 65 10.930 19.245 -3.608 498 HG22 VAL 65 1HG2 VAL 65 12.243 20.375 -3.278 499 HG23 VAL 65 2HG2 VAL 65 10.602 20.754 -2.757 500 H ASP 66 H ASP 66 8.794 19.898 -7.079 501 HA ASP 66 HA ASP 66 6.751 18.282 -6.163 502 HB2 ASP 66 2HB ASP 66 7.650 18.605 -8.560 503 HB3 ASP 66 3HB ASP 66 8.760 17.293 -8.173 504 H SER 67 H SER 67 10.201 17.909 -5.780 505 HA SER 67 HA SER 67 10.004 16.174 -3.601 506 HB2 SER 67 2HB SER 67 9.636 14.832 -6.067 507 HB3 SER 67 3HB SER 67 11.246 14.402 -5.490 508 HG SER 67 HG SER 67 9.321 13.129 -4.735 509 H HIS 68 H HIS 68 11.924 17.124 -6.403 510 HA HIS 68 HA HIS 68 14.085 17.801 -6.616 511 HB2 HIS 68 2HB HIS 68 13.235 18.758 -4.103 512 HB3 HIS 68 3HB HIS 68 14.847 18.094 -3.853 513 HD1 HIS 68 HD1 HIS 68 16.245 20.156 -3.732 514 HD2 HIS 68 HD2 HIS 68 13.689 20.174 -7.008 515 HE1 HIS 68 HE1 HIS 68 16.894 22.177 -5.081 516 H SER 69 H SER 69 13.342 14.960 -6.031 517 HA SER 69 HA SER 69 15.420 13.790 -4.490 518 HB2 SER 69 2HB SER 69 13.179 12.737 -5.085 519 HB3 SER 69 3HB SER 69 13.860 12.412 -6.679 520 HG SER 69 HG SER 69 14.891 11.501 -4.195 521 H SER 70 H SER 70 15.412 15.213 -7.534 522 HA SER 70 HA SER 70 17.535 13.562 -8.636 523 HB2 SER 70 2HB SER 70 15.595 15.418 -9.687 524 HB3 SER 70 3HB SER 70 17.214 15.875 -10.216 525 HG SER 70 HG SER 70 17.441 13.599 -10.834 526 H ALA 71 H ALA 71 17.312 16.125 -6.515 527 HA ALA 71 HA ALA 71 20.056 17.004 -7.144 528 HB1 ALA 71 1HB ALA 71 19.229 19.064 -7.265 529 HB2 ALA 71 2HB ALA 71 17.653 18.534 -6.674 530 HB3 ALA 71 3HB ALA 71 18.924 18.967 -5.530 531 H ILE 72 H ILE 72 17.975 15.569 -4.856 532 HA ILE 72 HA ILE 72 20.052 15.811 -2.778 533 HB ILE 72 HB ILE 72 18.341 15.561 -1.080 534 HG12 ILE 72 2HG1 ILE 72 15.907 15.970 -2.319 535 HG13 ILE 72 3HG1 ILE 72 16.707 14.831 -3.397 536 HG21 ILE 72 1HG2 ILE 72 18.726 17.794 -2.675 537 HG22 ILE 72 2HG2 ILE 72 16.975 17.667 -2.520 538 HG23 ILE 72 3HG2 ILE 72 17.983 17.758 -1.076 539 HD11 ILE 72 3HD1 ILE 72 15.881 14.488 -0.555 540 HD12 ILE 72 1HD1 ILE 72 15.598 13.440 -1.944 541 HD13 ILE 72 2HD1 ILE 72 17.201 13.522 -1.213 542 H THR 73 H THR 73 20.774 13.980 -1.804 543 HA THR 73 HA THR 73 19.967 11.456 -3.028 544 HB THR 73 HB THR 73 22.017 10.973 -1.158 545 HG1 THR 73 HG1 THR 73 23.578 12.551 -1.990 546 HG21 THR 73 3HG2 THR 73 21.572 10.035 -3.495 547 HG22 THR 73 1HG2 THR 73 23.255 10.293 -3.040 548 HG23 THR 73 2HG2 THR 73 22.441 11.446 -4.098 549 H PHE 74 H PHE 74 20.144 9.515 -1.416 550 HA PHE 74 HA PHE 74 18.499 10.184 0.935 551 HB2 PHE 74 2HB PHE 74 17.559 8.739 -1.037 552 HB3 PHE 74 3HB PHE 74 18.513 7.454 -0.303 553 HD1 PHE 74 HD1 PHE 74 16.183 10.137 0.849 554 HD2 PHE 74 HD2 PHE 74 17.359 6.053 1.085 555 HE1 PHE 74 HE1 PHE 74 14.364 9.709 2.450 556 HE2 PHE 74 HE2 PHE 74 15.542 5.619 2.685 557 HZ PHE 74 HZ PHE 74 14.040 7.448 3.369 558 H PHE 75 H PHE 75 20.385 10.485 2.222 559 HA PHE 75 HA PHE 75 21.181 8.202 3.657 560 HB2 PHE 75 2HB PHE 75 22.582 8.365 1.313 561 HB3 PHE 75 3HB PHE 75 23.641 9.236 2.418 562 HD1 PHE 75 HD2 PHE 75 21.556 6.137 2.529 563 HD2 PHE 75 HD1 PHE 75 25.311 7.973 3.329 564 HE1 PHE 75 HE2 PHE 75 22.416 3.997 3.384 565 HE2 PHE 75 HE1 PHE 75 26.178 5.835 4.185 566 HZ PHE 75 HZ PHE 75 24.729 3.844 4.214 567 H GLU 76 H GLU 76 23.463 8.893 4.854 568 HA GLU 76 HA GLU 76 23.026 11.653 5.789 569 HB2 GLU 76 2HB GLU 76 23.872 10.762 8.034 570 HB3 GLU 76 3HB GLU 76 22.236 10.328 7.560 571 HG2 GLU 76 2HG GLU 76 22.705 8.167 7.640 572 HG3 GLU 76 3HG GLU 76 24.124 8.372 6.616 573 HA PRO 77 HA PRO 77 27.283 12.455 5.098 574 HB2 PRO 77 2HB PRO 77 27.851 14.168 7.127 575 HB3 PRO 77 3HB PRO 77 26.862 14.622 5.734 576 HG2 PRO 77 2HG PRO 77 26.001 13.788 8.477 577 HG3 PRO 77 3HG PRO 77 25.377 15.099 7.459 578 HD2 PRO 77 2HD PRO 77 24.121 12.712 7.692 579 HD3 PRO 77 3HD PRO 77 24.077 13.671 6.200 580 H SER 78 H SER 78 29.461 12.448 6.173 581 HA SER 78 HA SER 78 29.577 10.233 8.099 582 HB2 SER 78 2HB SER 78 32.146 10.936 6.998 583 HB3 SER 78 3HB SER 78 31.257 9.420 6.859 584 HG SER 78 HG SER 78 30.151 10.293 5.087 585 H SER 79 H SER 79 29.694 13.514 8.066 586 HA SER 79 HA SER 79 30.301 15.062 9.625 587 HB2 SER 79 2HB SER 79 30.300 12.574 11.077 588 HB3 SER 79 3HB SER 79 31.605 13.606 11.659 589 HG SER 79 HG SER 79 28.857 13.954 11.808 590 H GLU 80 H GLU 80 32.840 12.674 10.294 591 HA GLU 80 HA GLU 80 34.929 14.541 10.206 592 HB2 GLU 80 2HB GLU 80 34.724 11.581 10.264 593 HB3 GLU 80 3HB GLU 80 36.254 12.255 9.722 594 HG2 GLU 80 2HG GLU 80 36.790 12.300 11.880 595 HG3 GLU 80 3HG GLU 80 35.756 13.725 11.964 596 H LYS 81 H LYS 81 33.299 12.821 7.700 597 HA LYS 81 HA LYS 81 35.387 13.186 5.736 598 HB2 LYS 81 2HB LYS 81 33.703 11.269 5.784 599 HB3 LYS 81 3HB LYS 81 32.518 12.429 5.197 600 HG2 LYS 81 2HG LYS 81 33.672 12.728 3.162 601 HG3 LYS 81 3HG LYS 81 35.109 11.904 3.771 602 HD2 LYS 81 2HD LYS 81 33.677 9.835 3.992 603 HD3 LYS 81 3HD LYS 81 32.433 10.702 3.089 604 HE2 LYS 81 2HE LYS 81 33.474 10.355 1.146 605 HE3 LYS 81 3HE LYS 81 35.030 10.861 1.805 606 HZ1 LYS 81 3HZ LYS 81 35.404 8.667 1.288 607 HZ2 LYS 81 1HZ LYS 81 33.843 8.171 1.713 608 HZ3 LYS 81 2HZ LYS 81 34.970 8.544 2.918 609 H ALA 82 H ALA 82 32.893 15.071 7.036 610 HA ALA 82 HA ALA 82 32.828 16.814 4.666 611 HB1 ALA 82 1HB ALA 82 30.620 16.488 5.083 612 HB2 ALA 82 2HB ALA 82 30.871 16.211 6.807 613 HB3 ALA 82 3HB ALA 82 30.890 17.854 6.166 614 H VAL 83 H VAL 83 34.047 16.539 7.831 615 HA VAL 83 HA VAL 83 34.152 19.296 8.527 616 HB VAL 83 HB VAL 83 34.381 17.347 10.127 617 HG11 VAL 83 1HG1 VAL 83 37.301 17.337 9.690 618 HG12 VAL 83 2HG1 VAL 83 36.224 16.039 10.208 619 HG13 VAL 83 3HG1 VAL 83 36.328 16.472 8.501 620 HG21 VAL 83 3HG2 VAL 83 35.667 18.590 11.660 621 HG22 VAL 83 1HG2 VAL 83 36.631 19.325 10.379 622 HG23 VAL 83 2HG2 VAL 83 34.941 19.786 10.588 623 H THR 84 H THR 84 35.652 20.823 8.114 624 HA THR 84 HA THR 84 38.279 20.202 7.146 625 HB THR 84 HB THR 84 36.614 21.769 5.199 626 HG1 THR 84 HG1 THR 84 36.188 19.867 4.085 627 HG21 THR 84 3HG2 THR 84 38.843 20.023 4.361 628 HG22 THR 84 1HG2 THR 84 39.283 21.403 5.367 629 HG23 THR 84 2HG2 THR 84 38.427 21.658 3.846 630 H ALA 85 H ALA 85 35.898 22.851 6.885 631 HA ALA 85 HA ALA 85 36.985 24.485 8.850 632 HB1 ALA 85 1HB ALA 85 38.992 24.832 7.776 633 HB2 ALA 85 2HB ALA 85 38.264 24.781 6.169 634 HB3 ALA 85 3HB ALA 85 38.042 26.199 7.193 635 H ASN 86 H ASN 86 34.469 23.735 7.616 636 HA ASN 86 HA ASN 86 33.495 26.336 6.652 637 HB2 ASN 86 2HB ASN 86 32.589 23.515 6.220 638 HB3 ASN 86 3HB ASN 86 31.416 24.822 6.093 639 HD21 ASN 86 1HD2 ASN 86 31.185 24.235 3.882 640 HD22 ASN 86 2HD2 ASN 86 32.342 24.761 2.712 641 H GLU 87 H GLU 87 32.752 27.543 8.274 642 HA GLU 87 HA GLU 87 31.934 26.646 10.779 643 HB2 GLU 87 2HB GLU 87 30.854 28.895 11.002 644 HB3 GLU 87 3HB GLU 87 32.534 28.943 10.486 645 HG2 GLU 87 2HG GLU 87 31.704 29.161 8.131 646 HG3 GLU 87 3HG GLU 87 30.084 29.360 8.797 647 H ASP 88 H ASP 88 29.969 27.497 7.944 648 HA ASP 88 HA ASP 88 27.469 26.973 9.148 649 HB2 ASP 88 2HB ASP 88 26.706 26.758 6.708 650 HB3 ASP 88 3HB ASP 88 27.413 28.295 7.199 651 H LEU 89 H LEU 89 29.640 24.972 7.193 652 HA LEU 89 HA LEU 89 27.988 22.732 6.933 653 HB2 LEU 89 2HB LEU 89 30.096 23.126 5.691 654 HB3 LEU 89 3HB LEU 89 30.993 22.768 7.165 655 HG LEU 89 HG LEU 89 30.311 20.481 7.112 656 HD11 LEU 89 1HD1 LEU 89 28.818 19.589 5.406 657 HD12 LEU 89 2HD1 LEU 89 28.578 21.209 4.754 658 HD13 LEU 89 3HD1 LEU 89 28.006 20.818 6.375 659 HD21 LEU 89 3HD2 LEU 89 31.006 21.250 4.283 660 HD22 LEU 89 1HD2 LEU 89 31.360 19.730 5.105 661 HD23 LEU 89 2HD2 LEU 89 32.169 21.214 5.610 662 H LEU 90 H LEU 90 30.083 23.768 9.549 663 HA LEU 90 HA LEU 90 30.190 21.399 11.024 664 HB2 LEU 90 2HB LEU 90 31.607 23.257 11.565 665 HB3 LEU 90 3HB LEU 90 30.212 24.274 11.921 666 HG LEU 90 HG LEU 90 29.735 23.011 13.914 667 HD11 LEU 90 1HD1 LEU 90 30.226 20.799 13.500 668 HD12 LEU 90 2HD1 LEU 90 31.551 21.265 14.565 669 HD13 LEU 90 3HD1 LEU 90 31.813 21.165 12.824 670 HD21 LEU 90 3HD2 LEU 90 32.693 23.581 13.815 671 HD22 LEU 90 1HD2 LEU 90 31.650 23.584 15.237 672 HD23 LEU 90 2HD2 LEU 90 31.445 24.816 13.991 673 H GLN 91 H GLN 91 27.898 24.112 11.284 674 HA GLN 91 HA GLN 91 26.302 22.916 13.288 675 HB2 GLN 91 2HB GLN 91 26.423 25.392 12.091 676 HB3 GLN 91 3HB GLN 91 24.896 24.755 11.494 677 HG2 GLN 91 2HG GLN 91 25.525 24.612 14.406 678 HG3 GLN 91 3HG GLN 91 24.969 26.126 13.696 679 HE21 GLN 91 1HE2 GLN 91 23.183 25.771 15.219 680 HE22 GLN 91 2HE2 GLN 91 21.848 24.802 14.707 681 H ALA 92 H ALA 92 26.159 22.894 9.767 682 HA ALA 92 HA ALA 92 23.633 21.701 9.477 683 HB1 ALA 92 1HB ALA 92 25.850 22.383 7.782 684 HB2 ALA 92 2HB ALA 92 25.210 20.797 7.348 685 HB3 ALA 92 3HB ALA 92 24.144 22.201 7.375 686 H ILE 93 H ILE 93 26.849 20.309 9.910 687 HA ILE 93 HA ILE 93 26.207 17.629 9.416 688 HB ILE 93 HB ILE 93 28.334 18.910 11.112 689 HG12 ILE 93 2HG1 ILE 93 28.472 19.026 8.621 690 HG13 ILE 93 3HG1 ILE 93 29.817 18.162 9.358 691 HG21 ILE 93 1HG2 ILE 93 29.337 16.554 11.141 692 HG22 ILE 93 2HG2 ILE 93 28.027 16.903 12.268 693 HG23 ILE 93 3HG2 ILE 93 27.701 15.996 10.791 694 HD11 ILE 93 3HD1 ILE 93 27.692 16.345 8.705 695 HD12 ILE 93 1HD1 ILE 93 28.165 17.290 7.294 696 HD13 ILE 93 2HD1 ILE 93 29.373 16.351 8.171 697 H ARG 94 H ARG 94 25.923 19.588 12.330 698 HA ARG 94 HA ARG 94 25.321 17.474 14.109 699 HB2 ARG 94 2HB ARG 94 24.686 20.425 14.217 700 HB3 ARG 94 3HB ARG 94 24.354 19.311 15.536 701 HG2 ARG 94 2HG ARG 94 27.072 19.010 14.707 702 HG3 ARG 94 3HG ARG 94 26.728 20.714 15.009 703 HD2 ARG 94 2HD ARG 94 27.322 20.020 17.113 704 HD3 ARG 94 3HD ARG 94 25.576 19.778 17.168 705 HE ARG 94 HE ARG 94 26.585 17.392 16.291 706 HH11 ARG 94 1HH1 ARG 94 27.079 19.418 19.078 707 HH12 ARG 94 2HH1 ARG 94 27.460 18.097 20.133 708 HH21 ARG 94 1HH2 ARG 94 27.084 15.645 17.669 709 HH22 ARG 94 2HH2 ARG 94 27.463 15.951 19.330 710 H ASN 95 H ASN 95 23.241 19.735 12.317 711 HA ASN 95 HA ASN 95 20.781 18.810 13.254 712 HB2 ASN 95 2HB ASN 95 21.276 19.845 10.460 713 HB3 ASN 95 3HB ASN 95 19.792 19.955 11.401 714 HD21 ASN 95 1HD2 ASN 95 21.323 22.070 10.154 715 HD22 ASN 95 2HD2 ASN 95 21.774 23.158 11.418 716 H ALA 96 H ALA 96 22.362 17.994 10.159 717 HA ALA 96 HA ALA 96 20.639 16.085 9.232 718 HB1 ALA 96 1HB ALA 96 22.187 15.800 7.658 719 HB2 ALA 96 2HB ALA 96 23.173 16.964 8.544 720 HB3 ALA 96 3HB ALA 96 23.379 15.236 8.829 721 H GLU 97 H GLU 97 23.049 15.750 11.764 722 HA GLU 97 HA GLU 97 22.874 12.913 11.967 723 HB2 GLU 97 2HB GLU 97 24.850 13.942 12.802 724 HB3 GLU 97 3HB GLU 97 23.931 15.046 13.816 725 HG2 GLU 97 2HG GLU 97 23.226 13.194 15.224 726 HG3 GLU 97 3HG GLU 97 24.104 12.065 14.195 727 H GLU 98 H GLU 98 21.370 15.607 13.707 728 HA GLU 98 HA GLU 98 19.972 13.986 15.571 729 HB2 GLU 98 2HB GLU 98 19.249 15.940 16.450 730 HB3 GLU 98 3HB GLU 98 20.475 16.636 15.400 731 HG2 GLU 98 2HG GLU 98 18.709 16.927 13.661 732 HG3 GLU 98 3HG GLU 98 17.525 16.422 14.866 733 H ASP 99 H ASP 99 19.229 15.209 12.371 734 HA ASP 99 HA ASP 99 16.477 14.318 12.488 735 HB2 ASP 99 2HB ASP 99 18.140 15.475 10.244 736 HB3 ASP 99 3HB ASP 99 16.442 15.038 10.084 737 H LYS 100 H LYS 100 16.352 12.137 12.643 738 HA LYS 100 HA LYS 100 17.392 10.606 10.365 739 HB2 LYS 100 2HB LYS 100 17.586 9.764 13.263 740 HB3 LYS 100 3HB LYS 100 17.990 8.748 11.885 741 HG2 LYS 100 2HG LYS 100 19.506 10.980 11.430 742 HG3 LYS 100 3HG LYS 100 19.539 10.844 13.190 743 HD2 LYS 100 2HD LYS 100 20.388 8.610 13.067 744 HD3 LYS 100 3HD LYS 100 20.148 8.559 11.319 745 HE2 LYS 100 2HE LYS 100 21.759 10.820 11.939 746 HE3 LYS 100 3HE LYS 100 22.430 9.419 12.772 747 HZ1 LYS 100 3HZ LYS 100 22.656 10.081 10.073 748 HZ2 LYS 100 1HZ LYS 100 21.728 8.668 10.161 749 HZ3 LYS 100 2HZ LYS 100 23.266 8.715 10.864 750 H GLU 101 H GLU 101 14.782 11.610 10.729 751 HA GLU 101 HA GLU 101 12.608 10.959 10.573 752 HB2 GLU 101 2HB GLU 101 14.160 8.784 9.542 753 HB3 GLU 101 3HB GLU 101 12.776 8.133 10.409 754 HG2 GLU 101 2HG GLU 101 11.349 8.762 8.824 755 HG3 GLU 101 3HG GLU 101 12.076 10.362 8.679 756 H SER 102 H SER 102 14.133 10.860 13.173 757 HA SER 102 HA SER 102 11.990 9.760 14.749 758 HB2 SER 102 2HB SER 102 13.546 7.804 14.238 759 HB3 SER 102 3HB SER 102 14.747 8.627 15.233 760 HG SER 102 HG SER 102 12.657 7.126 16.003 761 H ASN 103 H ASN 103 13.504 12.295 14.234 762 HA ASN 103 HA ASN 103 15.043 12.953 16.506 763 HB2 ASN 103 2HB ASN 103 14.746 14.171 14.189 764 HB3 ASN 103 3HB ASN 103 13.472 15.038 15.042 765 HD21 ASN 103 1HD2 ASN 103 14.418 17.000 15.160 766 HD22 ASN 103 2HD2 ASN 103 15.876 17.324 16.028 767 H ALA 104 H ALA 104 14.523 14.043 18.390 768 HA ALA 104 HA ALA 104 13.274 14.529 20.231 769 HB1 ALA 104 1HB ALA 104 12.356 16.103 18.233 770 HB2 ALA 104 2HB ALA 104 10.871 15.279 18.711 771 HB3 ALA 104 3HB ALA 104 11.795 16.193 19.903 772 H LEU 105 H LEU 105 13.067 11.839 19.009 773 HA LEU 105 HA LEU 105 10.388 11.068 19.952 774 HB2 LEU 105 2HB LEU 105 11.518 10.504 17.567 775 HB3 LEU 105 3HB LEU 105 12.036 9.101 18.500 776 HG LEU 105 HG LEU 105 9.153 9.837 18.556 777 HD11 LEU 105 1HD1 LEU 105 10.589 8.646 16.201 778 HD12 LEU 105 2HD1 LEU 105 9.473 10.011 16.231 779 HD13 LEU 105 3HD1 LEU 105 8.872 8.375 16.505 780 HD21 LEU 105 3HD2 LEU 105 10.340 7.936 19.830 781 HD22 LEU 105 1HD2 LEU 105 10.381 7.120 18.267 782 HD23 LEU 105 2HD2 LEU 105 8.835 7.575 18.984 783 H ARG 106 H ARG 106 13.828 10.319 20.171 784 HA ARG 106 HA ARG 106 13.360 9.112 22.783 785 HB2 ARG 106 2HB ARG 106 14.689 7.136 22.282 786 HB3 ARG 106 3HB ARG 106 13.308 7.229 21.197 787 HG2 ARG 106 2HG ARG 106 14.611 7.277 19.400 788 HG3 ARG 106 3HG ARG 106 15.637 8.539 20.086 789 HD2 ARG 106 2HD ARG 106 17.048 6.999 21.118 790 HD3 ARG 106 3HD ARG 106 15.855 5.704 21.026 791 HE ARG 106 HE ARG 106 16.464 6.377 18.419 792 HH11 ARG 106 1HH1 ARG 106 18.170 5.178 21.208 793 HH12 ARG 106 2HH1 ARG 106 19.341 4.303 20.277 794 HH21 ARG 106 1HH2 ARG 106 18.001 5.230 17.184 795 HH22 ARG 106 2HH2 ARG 106 19.244 4.334 17.989 796 H PHE 107 H PHE 107 14.523 11.601 21.927 797 HA PHE 107 HA PHE 107 17.367 11.203 22.545 798 HB2 PHE 107 2HB PHE 107 16.254 12.673 20.544 799 HB3 PHE 107 3HB PHE 107 16.444 13.902 21.790 800 HD1 PHE 107 HD2 PHE 107 18.423 11.094 20.325 801 HD2 PHE 107 HD1 PHE 107 18.387 15.107 21.743 802 HE1 PHE 107 HE2 PHE 107 20.799 11.322 19.728 803 HE2 PHE 107 HE1 PHE 107 20.763 15.342 21.148 804 HZ PHE 107 HZ PHE 107 21.972 13.448 20.140 805 H GLU 108 H GLU 108 14.426 12.284 23.864 806 HA GLU 108 HA GLU 108 15.386 14.242 25.671 807 HB2 GLU 108 2HB GLU 108 13.032 14.130 25.150 808 HB3 GLU 108 3HB GLU 108 12.932 12.483 25.756 809 HG2 GLU 108 2HG GLU 108 13.566 13.378 28.010 810 HG3 GLU 108 3HG GLU 108 13.377 14.997 27.340 811 HA PRO 109 HA PRO 109 17.461 11.699 28.619 812 HB2 PRO 109 2HB PRO 109 17.508 13.465 30.680 813 HB3 PRO 109 3HB PRO 109 18.553 13.615 29.262 814 HG2 PRO 109 2HG PRO 109 15.987 15.027 29.881 815 HG3 PRO 109 3HG PRO 109 17.488 15.681 29.201 816 HD2 PRO 109 2HD PRO 109 15.338 15.075 27.671 817 HD3 PRO 109 3HD PRO 109 17.005 14.923 27.079 818 H THR 110 H THR 110 17.185 11.331 31.150 819 HA THR 110 HA THR 110 14.576 10.164 31.463 820 HB THR 110 HB THR 110 15.538 9.587 33.799 821 HG1 THR 110 HG1 THR 110 18.017 10.098 32.540 822 HG21 THR 110 3HG2 THR 110 15.338 7.932 32.054 823 HG22 THR 110 1HG2 THR 110 16.916 7.761 32.823 824 HG23 THR 110 2HG2 THR 110 16.782 8.549 31.251 Start of MODEL 12 1 H1 MET 1 H MET 1 12.006 2.312 -8.196 2 HA MET 1 HA MET 1 13.153 0.779 -9.561 3 HB2 MET 1 2HB MET 1 14.468 3.280 -10.336 4 HB3 MET 1 3HB MET 1 15.559 1.902 -10.283 5 HG2 MET 1 2HG MET 1 14.317 0.724 -11.896 6 HG3 MET 1 3HG MET 1 12.944 1.820 -11.749 7 HE1 MET 1 3HE MET 1 15.990 0.863 -13.702 8 HE2 MET 1 1HE MET 1 16.715 2.371 -14.260 9 HE3 MET 1 2HE MET 1 16.839 1.908 -12.563 10 H LEU 2 H LEU 2 14.718 2.960 -7.297 11 HA LEU 2 HA LEU 2 16.798 1.157 -6.550 12 HB2 LEU 2 2HB LEU 2 17.215 3.436 -6.164 13 HB3 LEU 2 3HB LEU 2 15.672 3.662 -5.342 14 HG LEU 2 HG LEU 2 17.343 1.759 -3.942 15 HD11 LEU 2 1HD1 LEU 2 18.488 4.487 -3.788 16 HD12 LEU 2 2HD1 LEU 2 18.957 3.481 -5.158 17 HD13 LEU 2 3HD1 LEU 2 19.246 2.919 -3.512 18 HD21 LEU 2 3HD2 LEU 2 16.356 2.710 -2.171 19 HD22 LEU 2 1HD2 LEU 2 15.332 3.509 -3.363 20 HD23 LEU 2 2HD2 LEU 2 16.741 4.345 -2.711 21 H GLN 3 H GLN 3 14.113 2.383 -4.549 22 HA GLN 3 HA GLN 3 13.213 -0.194 -3.781 23 HB2 GLN 3 2HB GLN 3 15.418 0.937 -2.278 24 HB3 GLN 3 3HB GLN 3 14.011 0.689 -1.253 25 HG2 GLN 3 2HG GLN 3 14.258 -1.523 -1.258 26 HG3 GLN 3 3HG GLN 3 14.564 -1.575 -2.993 27 HE21 GLN 3 1HE2 GLN 3 16.234 -3.033 -2.836 28 HE22 GLN 3 2HE2 GLN 3 17.771 -2.630 -2.159 29 H GLU 4 H GLU 4 11.807 0.053 -1.666 30 HA GLU 4 HA GLU 4 9.951 2.176 -2.232 31 HB2 GLU 4 2HB GLU 4 9.925 -0.340 -0.797 32 HB3 GLU 4 3HB GLU 4 9.160 0.933 0.144 33 HG2 GLU 4 2HG GLU 4 7.550 1.340 -1.519 34 HG3 GLU 4 3HG GLU 4 8.444 0.412 -2.722 35 H ARG 5 H ARG 5 11.532 1.159 0.803 36 HA ARG 5 HA ARG 5 12.275 2.338 2.601 37 HB2 ARG 5 2HB ARG 5 12.922 3.950 0.295 38 HB3 ARG 5 3HB ARG 5 12.557 4.975 1.677 39 HG2 ARG 5 2HG ARG 5 14.600 2.765 1.598 40 HG3 ARG 5 3HG ARG 5 14.930 4.498 1.553 41 HD2 ARG 5 2HD ARG 5 13.695 4.621 3.778 42 HD3 ARG 5 3HD ARG 5 13.821 2.863 3.818 43 HE ARG 5 HE ARG 5 15.930 4.767 4.272 44 HH11 ARG 5 1HH1 ARG 5 15.158 1.503 3.339 45 HH12 ARG 5 2HH1 ARG 5 16.702 0.867 3.801 46 HH21 ARG 5 1HH2 ARG 5 17.966 3.942 4.884 47 HH22 ARG 5 2HH2 ARG 5 18.299 2.255 4.680 48 H VAL 6 H VAL 6 11.761 4.275 4.024 49 HA VAL 6 HA VAL 6 8.916 4.991 3.726 50 HB VAL 6 HB VAL 6 10.375 4.593 6.340 51 HG11 VAL 6 1HG1 VAL 6 7.578 5.326 5.584 52 HG12 VAL 6 2HG1 VAL 6 7.884 4.450 7.085 53 HG13 VAL 6 3HG1 VAL 6 8.628 6.026 6.816 54 HG21 VAL 6 3HG2 VAL 6 8.776 2.570 6.454 55 HG22 VAL 6 1HG2 VAL 6 8.698 2.730 4.699 56 HG23 VAL 6 2HG2 VAL 6 10.245 2.430 5.490 57 H PHE 7 H PHE 7 8.275 7.059 4.361 58 HA PHE 7 HA PHE 7 10.486 8.981 4.676 59 HB2 PHE 7 2HB PHE 7 7.757 9.425 3.446 60 HB3 PHE 7 3HB PHE 7 9.020 10.641 3.603 61 HD1 PHE 7 HD2 PHE 7 11.421 9.414 2.737 62 HD2 PHE 7 HD1 PHE 7 7.473 8.843 1.251 63 HE1 PHE 7 HE2 PHE 7 12.343 8.739 0.559 64 HE2 PHE 7 HE1 PHE 7 8.389 8.165 -0.930 65 HZ PHE 7 HZ PHE 7 10.827 8.113 -1.279 66 H HIS 8 H HIS 8 10.548 10.175 6.466 67 HA HIS 8 HA HIS 8 8.104 10.384 8.098 68 HB2 HIS 8 2HB HIS 8 10.043 8.806 8.904 69 HB3 HIS 8 3HB HIS 8 10.810 10.318 9.382 70 HD1 HIS 8 HD1 HIS 8 7.105 9.812 9.695 71 HD2 HIS 8 HD2 HIS 8 10.490 9.853 12.103 72 HE1 HIS 8 HE1 HIS 8 6.248 9.816 12.059 73 H ILE 9 H ILE 9 8.346 12.182 9.785 74 HA ILE 9 HA ILE 9 8.556 14.633 8.529 75 HB ILE 9 HB ILE 9 7.377 14.433 10.619 76 HG12 ILE 9 2HG1 ILE 9 9.493 16.189 11.631 77 HG13 ILE 9 3HG1 ILE 9 9.055 16.516 9.958 78 HG21 ILE 9 1HG2 ILE 9 10.029 14.019 11.985 79 HG22 ILE 9 2HG2 ILE 9 8.426 13.983 12.718 80 HG23 ILE 9 3HG2 ILE 9 8.908 12.717 11.589 81 HD11 ILE 9 3HD1 ILE 9 7.799 17.522 12.158 82 HD12 ILE 9 1HD1 ILE 9 7.110 17.432 10.538 83 HD13 ILE 9 2HD1 ILE 9 6.758 16.169 11.718 84 H ASN 10 H ASN 10 11.007 12.855 10.345 85 HA ASN 10 HA ASN 10 12.958 14.898 10.365 86 HB2 ASN 10 2HB ASN 10 13.670 11.980 10.333 87 HB3 ASN 10 3HB ASN 10 14.429 13.296 11.225 88 HD21 ASN 10 1HD2 ASN 10 12.893 14.390 12.816 89 HD22 ASN 10 2HD2 ASN 10 11.932 13.330 13.784 90 H ASP 11 H ASP 11 12.453 12.123 8.204 91 HA ASP 11 HA ASP 11 13.360 11.591 6.175 92 HB2 ASP 11 2HB ASP 11 12.231 14.216 6.072 93 HB3 ASP 11 3HB ASP 11 13.645 14.173 5.023 94 H ARG 12 H ARG 12 15.398 10.878 6.847 95 HA ARG 12 HA ARG 12 17.588 12.741 7.095 96 HB2 ARG 12 2HB ARG 12 18.954 10.652 7.366 97 HB3 ARG 12 3HB ARG 12 17.649 10.832 8.530 98 HG2 ARG 12 2HG ARG 12 16.757 8.900 7.922 99 HG3 ARG 12 3HG ARG 12 16.735 9.384 6.225 100 HD2 ARG 12 2HD ARG 12 18.169 7.644 6.029 101 HD3 ARG 12 3HD ARG 12 19.346 8.872 6.492 102 HE ARG 12 HE ARG 12 19.678 7.745 8.449 103 HH11 ARG 12 1HH1 ARG 12 16.654 6.717 7.064 104 HH12 ARG 12 2HH1 ARG 12 16.393 5.468 8.235 105 HH21 ARG 12 1HH2 ARG 12 19.345 6.104 9.997 106 HH22 ARG 12 2HH2 ARG 12 17.924 5.120 9.904 107 H VAL 13 H VAL 13 18.249 13.685 5.261 108 HA VAL 13 HA VAL 13 19.202 11.963 3.106 109 HB VAL 13 HB VAL 13 18.217 13.615 1.424 110 HG11 VAL 13 1HG1 VAL 13 16.630 12.085 0.991 111 HG12 VAL 13 2HG1 VAL 13 17.332 11.219 2.359 112 HG13 VAL 13 3HG1 VAL 13 15.908 12.233 2.592 113 HG21 VAL 13 3HG2 VAL 13 17.581 15.270 3.212 114 HG22 VAL 13 1HG2 VAL 13 16.313 14.892 2.046 115 HG23 VAL 13 2HG2 VAL 13 16.274 14.174 3.657 116 H TRP 14 H TRP 14 20.369 13.376 1.409 117 HA TRP 14 HA TRP 14 21.843 15.507 2.814 118 HB2 TRP 14 2HB TRP 14 22.864 13.087 1.891 119 HB3 TRP 14 3HB TRP 14 23.332 14.250 0.653 120 HD1 TRP 14 HD1 TRP 14 23.195 14.952 4.452 121 HE1 TRP 14 HE1 TRP 14 25.556 15.623 5.226 122 HE3 TRP 14 HE3 TRP 14 25.730 14.191 0.078 123 HZ2 TRP 14 HZ2 TRP 14 28.150 15.806 4.127 124 HZ3 TRP 14 HZ3 TRP 14 28.149 14.638 0.023 125 HH2 TRP 14 HH2 TRP 14 29.332 15.430 2.007 126 H LEU 15 H LEU 15 22.034 17.422 1.806 127 HA LEU 15 HA LEU 15 20.921 17.631 -0.908 128 HB2 LEU 15 2HB LEU 15 19.911 18.887 1.094 129 HB3 LEU 15 3HB LEU 15 21.330 19.926 0.980 130 HG LEU 15 HG LEU 15 19.783 19.554 -1.511 131 HD11 LEU 15 1HD1 LEU 15 18.715 21.436 0.560 132 HD12 LEU 15 2HD1 LEU 15 18.119 19.781 0.436 133 HD13 LEU 15 3HD1 LEU 15 17.962 20.880 -0.935 134 HD21 LEU 15 3HD2 LEU 15 21.166 21.821 -0.098 135 HD22 LEU 15 1HD2 LEU 15 20.202 22.049 -1.556 136 HD23 LEU 15 2HD2 LEU 15 21.633 21.019 -1.599 137 H LYS 16 H LYS 16 22.148 18.329 -2.547 138 HA LYS 16 HA LYS 16 24.948 18.928 -2.001 139 HB2 LYS 16 2HB LYS 16 24.562 17.280 -3.706 140 HB3 LYS 16 3HB LYS 16 23.446 18.342 -4.555 141 HG2 LYS 16 2HG LYS 16 25.515 18.311 -5.743 142 HG3 LYS 16 3HG LYS 16 25.337 19.894 -4.982 143 HD2 LYS 16 2HD LYS 16 27.609 19.096 -4.710 144 HD3 LYS 16 3HD LYS 16 26.798 19.144 -3.143 145 HE2 LYS 16 2HE LYS 16 28.169 17.091 -3.551 146 HE3 LYS 16 3HE LYS 16 26.481 16.783 -3.149 147 HZ1 LYS 16 3HZ LYS 16 26.015 16.063 -5.248 148 HZ2 LYS 16 1HZ LYS 16 27.631 15.572 -5.141 149 HZ3 LYS 16 2HZ LYS 16 27.231 16.988 -5.975 150 H THR 17 H THR 17 25.473 20.979 -1.653 151 HA THR 17 HA THR 17 23.863 23.143 -2.694 152 HB THR 17 HB THR 17 26.468 23.701 -1.371 153 HG1 THR 17 HG1 THR 17 25.752 23.047 0.608 154 HG21 THR 17 3HG2 THR 17 25.418 25.687 -1.469 155 HG22 THR 17 1HG2 THR 17 24.495 25.097 -0.087 156 HG23 THR 17 2HG2 THR 17 23.838 24.946 -1.716 157 H GLY 18 H GLY 18 26.873 21.565 -3.446 158 HA2 GLY 18 2HA GLY 18 27.022 22.888 -5.981 159 HA3 GLY 18 3HA GLY 18 28.262 23.455 -4.872 160 H ALA 19 H ALA 19 29.848 21.970 -4.117 161 HA ALA 19 HA ALA 19 29.967 19.380 -5.468 162 HB1 ALA 19 1HB ALA 19 31.678 21.681 -6.070 163 HB2 ALA 19 2HB ALA 19 32.552 20.182 -5.752 164 HB3 ALA 19 3HB ALA 19 31.333 20.239 -7.025 165 H ASN 20 H ASN 20 31.437 21.608 -3.142 166 HA ASN 20 HA ASN 20 32.289 19.271 -1.562 167 HB2 ASN 20 2HB ASN 20 33.696 21.722 -2.319 168 HB3 ASN 20 3HB ASN 20 33.752 21.404 -0.588 169 HD21 ASN 20 1HD2 ASN 20 34.093 18.901 -0.196 170 HD22 ASN 20 2HD2 ASN 20 35.448 18.245 -1.044 171 H THR 21 H THR 21 30.125 21.784 -1.718 172 HA THR 21 HA THR 21 29.874 21.951 1.212 173 HB THR 21 HB THR 21 28.218 23.848 -0.220 174 HG1 THR 21 HG1 THR 21 31.033 23.954 -0.677 175 HG21 THR 21 3HG2 THR 21 28.579 24.448 1.957 176 HG22 THR 21 1HG2 THR 21 29.872 25.371 1.192 177 HG23 THR 21 2HG2 THR 21 30.230 23.829 1.970 178 H TRP 22 H TRP 22 28.252 20.873 2.105 179 HA TRP 22 HA TRP 22 25.780 20.486 0.563 180 HB2 TRP 22 2HB TRP 22 26.691 18.283 2.357 181 HB3 TRP 22 3HB TRP 22 25.703 18.210 0.901 182 HD1 TRP 22 HD1 TRP 22 26.938 17.881 -1.405 183 HE1 TRP 22 HE1 TRP 22 29.366 17.299 -2.032 184 HE3 TRP 22 HE3 TRP 22 29.162 18.679 3.129 185 HZ2 TRP 22 HZ2 TRP 22 31.889 17.192 -0.772 186 HZ3 TRP 22 HZ3 TRP 22 31.587 18.314 3.334 187 HH2 TRP 22 HH2 TRP 22 32.920 17.585 1.423 188 H TRP 23 H TRP 23 23.889 20.071 1.873 189 HA TRP 23 HA TRP 23 24.152 20.720 4.715 190 HB2 TRP 23 2HB TRP 23 23.220 22.557 2.747 191 HB3 TRP 23 3HB TRP 23 21.842 22.079 3.736 192 HD1 TRP 23 HD1 TRP 23 25.517 22.857 4.747 193 HE1 TRP 23 HE1 TRP 23 25.457 24.604 6.637 194 HE3 TRP 23 HE3 TRP 23 20.465 23.593 5.012 195 HZ2 TRP 23 HZ2 TRP 23 23.524 26.095 8.053 196 HZ3 TRP 23 HZ3 TRP 23 19.591 25.196 6.662 197 HH2 TRP 23 HH2 TRP 23 21.091 26.420 8.150 198 HA PRO 24 HA PRO 24 21.133 17.564 5.208 199 HB2 PRO 24 2HB PRO 24 20.043 18.318 7.577 200 HB3 PRO 24 3HB PRO 24 21.655 17.606 7.445 201 HG2 PRO 24 2HG PRO 24 20.870 20.483 7.708 202 HG3 PRO 24 3HG PRO 24 22.180 19.602 8.517 203 HD2 PRO 24 2HD PRO 24 22.607 21.205 6.377 204 HD3 PRO 24 3HD PRO 24 23.578 19.753 6.691 205 H ALA 25 H ALA 25 19.051 17.181 4.653 206 HA ALA 25 HA ALA 25 17.227 19.493 4.505 207 HB1 ALA 25 1HB ALA 25 16.455 18.865 2.404 208 HB2 ALA 25 2HB ALA 25 18.193 18.584 2.295 209 HB3 ALA 25 3HB ALA 25 17.095 17.228 2.549 210 H LYS 26 H LYS 26 15.256 19.236 5.372 211 HA LYS 26 HA LYS 26 14.386 16.514 6.079 212 HB2 LYS 26 2HB LYS 26 15.082 17.334 8.156 213 HB3 LYS 26 3HB LYS 26 14.520 18.963 7.809 214 HG2 LYS 26 2HG LYS 26 12.400 16.948 7.840 215 HG3 LYS 26 3HG LYS 26 13.229 17.162 9.383 216 HD2 LYS 26 2HD LYS 26 12.205 19.492 7.785 217 HD3 LYS 26 3HD LYS 26 11.187 18.628 8.939 218 HE2 LYS 26 2HE LYS 26 13.872 19.582 9.812 219 HE3 LYS 26 3HE LYS 26 12.562 20.753 9.659 220 HZ1 LYS 26 3HZ LYS 26 11.280 18.982 11.052 221 HZ2 LYS 26 1HZ LYS 26 12.312 20.085 11.815 222 HZ3 LYS 26 2HZ LYS 26 12.833 18.503 11.522 223 H VAL 27 H VAL 27 12.313 16.036 5.626 224 HA VAL 27 HA VAL 27 10.681 18.161 4.428 225 HB VAL 27 HB VAL 27 10.198 15.186 4.281 226 HG11 VAL 27 1HG1 VAL 27 8.264 15.833 3.392 227 HG12 VAL 27 2HG1 VAL 27 8.763 17.526 3.383 228 HG13 VAL 27 3HG1 VAL 27 9.185 16.474 2.031 229 HG21 VAL 27 3HG2 VAL 27 12.123 15.196 3.092 230 HG22 VAL 27 1HG2 VAL 27 11.070 15.810 1.817 231 HG23 VAL 27 2HG2 VAL 27 12.045 16.928 2.771 232 H THR 28 H THR 28 9.068 18.997 5.559 233 HA THR 28 HA THR 28 8.238 17.829 8.055 234 HB THR 28 HB THR 28 8.419 20.255 7.870 235 HG1 THR 28 HG1 THR 28 6.904 20.117 9.339 236 HG21 THR 28 3HG2 THR 28 6.415 21.338 6.563 237 HG22 THR 28 1HG2 THR 28 6.485 19.842 5.633 238 HG23 THR 28 2HG2 THR 28 7.898 20.894 5.718 239 H SER 29 H SER 29 7.367 17.315 4.884 240 HA SER 29 HA SER 29 5.670 16.178 3.884 241 HB2 SER 29 2HB SER 29 6.038 14.808 6.109 242 HB3 SER 29 3HB SER 29 4.458 15.468 6.527 243 HG SER 29 HG SER 29 3.766 14.616 4.427 244 H VAL 30 H VAL 30 5.262 18.809 3.948 245 HA VAL 30 HA VAL 30 2.403 19.083 4.617 246 HB VAL 30 HB VAL 30 4.496 21.262 4.643 247 HG11 VAL 30 1HG1 VAL 30 1.582 21.314 4.535 248 HG12 VAL 30 2HG1 VAL 30 2.251 22.239 5.881 249 HG13 VAL 30 3HG1 VAL 30 2.752 22.598 4.228 250 HG21 VAL 30 3HG2 VAL 30 2.903 20.249 6.982 251 HG22 VAL 30 1HG2 VAL 30 4.473 19.572 6.548 252 HG23 VAL 30 2HG2 VAL 30 4.338 21.274 6.991 253 H THR 31 H THR 31 1.243 19.056 2.815 254 HA THR 31 HA THR 31 2.225 19.421 0.225 255 HB THR 31 HB THR 31 0.084 18.266 0.797 256 HG1 THR 31 HG1 THR 31 -0.178 18.569 -1.274 257 HG21 THR 31 3HG2 THR 31 -1.445 20.776 0.666 258 HG22 THR 31 1HG2 THR 31 -0.550 20.526 2.164 259 HG23 THR 31 2HG2 THR 31 -1.727 19.326 1.629 260 H GLY 32 H GLY 32 0.798 21.126 -1.214 261 HA2 GLY 32 2HA GLY 32 0.746 23.759 0.000 262 HA3 GLY 32 3HA GLY 32 2.023 23.520 -1.183 263 H VAL 33 H VAL 33 -1.367 22.440 -1.092 264 HA VAL 33 HA VAL 33 -2.157 24.248 -3.172 265 HB VAL 33 HB VAL 33 -1.062 22.746 -4.651 266 HG11 VAL 33 1HG1 VAL 33 -2.566 20.428 -3.462 267 HG12 VAL 33 2HG1 VAL 33 -1.225 20.388 -4.608 268 HG13 VAL 33 3HG1 VAL 33 -0.946 20.887 -2.939 269 HG21 VAL 33 3HG2 VAL 33 -3.778 23.230 -4.776 270 HG22 VAL 33 1HG2 VAL 33 -2.763 22.642 -6.093 271 HG23 VAL 33 2HG2 VAL 33 -3.652 21.499 -5.087 272 H GLU 34 H GLU 34 -2.932 21.102 -1.691 273 HA GLU 34 HA GLU 34 -5.173 21.870 -0.306 274 HB2 GLU 34 2HB GLU 34 -6.963 20.895 -1.890 275 HB3 GLU 34 3HB GLU 34 -6.386 22.528 -2.186 276 HG2 GLU 34 2HG GLU 34 -5.613 21.996 -4.197 277 HG3 GLU 34 3HG GLU 34 -4.807 20.549 -3.591 278 H GLY 35 H GLY 35 -3.022 20.006 -0.181 279 HA2 GLY 35 2HA GLY 35 -2.622 17.881 0.589 280 HA3 GLY 35 3HA GLY 35 -4.346 17.777 0.912 281 H VAL 36 H VAL 36 -2.562 18.121 -2.144 282 HA VAL 36 HA VAL 36 -4.175 16.032 -3.330 283 HB VAL 36 HB VAL 36 -1.904 17.618 -4.537 284 HG11 VAL 36 1HG1 VAL 36 -2.042 16.084 -6.154 285 HG12 VAL 36 2HG1 VAL 36 -3.540 15.413 -5.507 286 HG13 VAL 36 3HG1 VAL 36 -3.589 16.826 -6.562 287 HG21 VAL 36 3HG2 VAL 36 -3.315 19.304 -4.928 288 HG22 VAL 36 1HG2 VAL 36 -4.593 18.212 -5.463 289 HG23 VAL 36 2HG2 VAL 36 -4.383 18.548 -3.745 290 H ASP 37 H ASP 37 -1.257 16.199 -1.648 291 HA ASP 37 HA ASP 37 0.346 14.311 -2.932 292 HB2 ASP 37 2HB ASP 37 0.826 15.841 -0.873 293 HB3 ASP 37 3HB ASP 37 0.230 14.472 0.062 294 H GLY 38 H GLY 38 -2.594 13.915 -1.212 295 HA2 GLY 38 2HA GLY 38 -2.150 11.107 -0.618 296 HA3 GLY 38 3HA GLY 38 -3.613 12.026 -0.293 297 H ARG 39 H ARG 39 -3.346 12.955 -3.236 298 HA ARG 39 HA ARG 39 -4.476 10.512 -4.436 299 HB2 ARG 39 2HB ARG 39 -5.947 12.061 -5.772 300 HB3 ARG 39 3HB ARG 39 -6.312 11.979 -4.053 301 HG2 ARG 39 2HG ARG 39 -4.462 14.069 -4.366 302 HG3 ARG 39 3HG ARG 39 -5.650 14.249 -5.659 303 HD2 ARG 39 2HD ARG 39 -6.267 15.454 -3.586 304 HD3 ARG 39 3HD ARG 39 -7.455 14.244 -4.068 305 HE ARG 39 HE ARG 39 -5.563 13.197 -2.212 306 HH11 ARG 39 1HH1 ARG 39 -8.439 15.140 -2.482 307 HH12 ARG 39 2HH1 ARG 39 -8.980 14.797 -0.873 308 HH21 ARG 39 1HH2 ARG 39 -6.265 12.737 -0.091 309 HH22 ARG 39 2HH2 ARG 39 -7.742 13.430 0.487 310 H SER 40 H SER 40 -1.742 11.425 -4.561 311 HA SER 40 HA SER 40 -0.064 11.591 -6.089 312 HB2 SER 40 2HB SER 40 -2.177 11.185 -8.214 313 HB3 SER 40 3HB SER 40 -0.449 10.858 -8.343 314 HG SER 40 HG SER 40 -2.415 9.272 -7.408 315 H SER 41 H SER 41 0.948 13.152 -7.361 316 HA SER 41 HA SER 41 -0.210 15.754 -7.234 317 HB2 SER 41 2HB SER 41 2.288 15.088 -7.091 318 HB3 SER 41 3HB SER 41 2.235 15.073 -8.853 319 HG SER 41 HG SER 41 1.899 17.208 -8.882 320 H GLU 42 H GLU 42 -0.232 13.251 -9.566 321 HA GLU 42 HA GLU 42 -0.427 14.668 -11.960 322 HB2 GLU 42 2HB GLU 42 -1.444 12.701 -12.892 323 HB3 GLU 42 3HB GLU 42 -0.207 12.192 -11.751 324 HG2 GLU 42 2HG GLU 42 -1.759 10.848 -10.907 325 HG3 GLU 42 3HG GLU 42 -2.455 12.299 -10.188 326 H THR 43 H THR 43 -2.646 14.391 -9.350 327 HA THR 43 HA THR 43 -5.056 14.915 -10.738 328 HB THR 43 HB THR 43 -4.348 15.495 -7.855 329 HG1 THR 43 HG1 THR 43 -4.430 13.216 -8.893 330 HG21 THR 43 3HG2 THR 43 -6.743 16.014 -9.432 331 HG22 THR 43 1HG2 THR 43 -6.296 16.602 -7.831 332 HG23 THR 43 2HG2 THR 43 -7.061 15.022 -8.009 333 H GLY 44 H GLY 44 -2.787 17.043 -9.009 334 HA2 GLY 44 2HA GLY 44 -3.658 19.261 -10.698 335 HA3 GLY 44 3HA GLY 44 -3.876 19.454 -8.965 336 H THR 45 H THR 45 -2.174 20.033 -7.716 337 HA THR 45 HA THR 45 0.515 19.967 -8.869 338 HB THR 45 HB THR 45 0.754 22.371 -7.812 339 HG1 THR 45 HG1 THR 45 -1.224 23.556 -8.214 340 HG21 THR 45 3HG2 THR 45 0.914 23.120 -9.941 341 HG22 THR 45 1HG2 THR 45 -0.688 22.529 -10.381 342 HG23 THR 45 2HG2 THR 45 0.682 21.419 -10.340 343 H SER 46 H SER 46 0.225 18.187 -7.130 344 HA SER 46 HA SER 46 0.205 18.932 -4.394 345 HB2 SER 46 2HB SER 46 -0.344 16.646 -5.281 346 HB3 SER 46 3HB SER 46 1.377 16.411 -5.587 347 HG SER 46 HG SER 46 0.435 17.158 -3.036 348 H THR 47 H THR 47 1.709 20.255 -3.595 349 HA THR 47 HA THR 47 4.532 19.695 -4.238 350 HB THR 47 HB THR 47 5.063 22.007 -3.930 351 HG1 THR 47 HG1 THR 47 2.331 22.537 -3.347 352 HG21 THR 47 3HG2 THR 47 3.556 21.109 -6.005 353 HG22 THR 47 1HG2 THR 47 4.266 22.720 -5.917 354 HG23 THR 47 2HG2 THR 47 2.585 22.470 -5.446 355 H VAL 48 H VAL 48 5.729 18.980 -2.609 356 HA VAL 48 HA VAL 48 4.695 19.197 0.119 357 HB VAL 48 HB VAL 48 7.015 17.565 -0.923 358 HG11 VAL 48 1HG1 VAL 48 5.620 17.597 1.749 359 HG12 VAL 48 2HG1 VAL 48 6.774 16.364 1.240 360 HG13 VAL 48 3HG1 VAL 48 7.293 18.041 1.416 361 HG21 VAL 48 3HG2 VAL 48 4.180 16.754 -0.282 362 HG22 VAL 48 1HG2 VAL 48 4.920 16.806 -1.882 363 HG23 VAL 48 2HG2 VAL 48 5.491 15.645 -0.684 364 H THR 49 H THR 49 5.326 20.922 1.230 365 HA THR 49 HA THR 49 7.759 22.333 0.612 366 HB THR 49 HB THR 49 5.851 22.782 2.916 367 HG1 THR 49 HG1 THR 49 5.857 23.646 0.227 368 HG21 THR 49 3HG2 THR 49 8.062 23.814 3.214 369 HG22 THR 49 1HG2 THR 49 6.805 25.027 2.976 370 HG23 THR 49 2HG2 THR 49 7.894 24.614 1.652 371 H VAL 50 H VAL 50 9.692 22.048 1.512 372 HA VAL 50 HA VAL 50 9.854 20.475 4.001 373 HB VAL 50 HB VAL 50 11.848 19.462 3.288 374 HG11 VAL 50 1HG1 VAL 50 9.654 18.827 2.078 375 HG12 VAL 50 2HG1 VAL 50 10.401 19.584 0.670 376 HG13 VAL 50 3HG1 VAL 50 11.182 18.209 1.452 377 HG21 VAL 50 3HG2 VAL 50 13.111 21.260 2.442 378 HG22 VAL 50 1HG2 VAL 50 12.925 20.147 1.087 379 HG23 VAL 50 2HG2 VAL 50 11.931 21.601 1.177 380 H LEU 51 H LEU 51 11.334 21.105 5.572 381 HA LEU 51 HA LEU 51 12.753 23.636 5.136 382 HB2 LEU 51 2HB LEU 51 10.574 24.050 6.269 383 HB3 LEU 51 3HB LEU 51 11.119 23.022 7.593 384 HG LEU 51 HG LEU 51 13.077 24.687 7.793 385 HD11 LEU 51 1HD1 LEU 51 13.137 26.350 6.329 386 HD12 LEU 51 2HD1 LEU 51 11.633 26.962 7.016 387 HD13 LEU 51 3HD1 LEU 51 11.589 25.858 5.642 388 HD21 LEU 51 3HD2 LEU 51 11.440 26.328 8.998 389 HD22 LEU 51 1HD2 LEU 51 11.642 24.679 9.591 390 HD23 LEU 51 2HD2 LEU 51 10.237 25.098 8.611 391 H THR 52 H THR 52 14.828 23.235 5.477 392 HA THR 52 HA THR 52 15.773 20.989 6.939 393 HB THR 52 HB THR 52 17.967 21.715 6.428 394 HG1 THR 52 HG1 THR 52 18.354 23.895 5.723 395 HG21 THR 52 3HG2 THR 52 16.147 21.352 4.478 396 HG22 THR 52 1HG2 THR 52 17.857 21.645 4.165 397 HG23 THR 52 2HG2 THR 52 16.703 22.975 4.073 398 H TYR 53 H TYR 53 17.864 21.768 8.445 399 HA TYR 53 HA TYR 53 16.542 23.070 10.712 400 HB2 TYR 53 2HB TYR 53 18.369 20.858 10.434 401 HB3 TYR 53 3HB TYR 53 19.046 22.067 11.520 402 HD1 TYR 53 HD2 TYR 53 15.755 20.395 10.900 403 HD2 TYR 53 HD1 TYR 53 18.562 21.831 13.758 404 HE1 TYR 53 HE2 TYR 53 14.326 19.555 12.717 405 HE2 TYR 53 HE1 TYR 53 17.141 20.993 15.583 406 HH TYR 53 HH TYR 53 15.397 19.538 16.038 407 HA PRO 54 HA PRO 54 18.976 26.716 10.411 408 HB2 PRO 54 2HB PRO 54 19.048 27.455 13.023 409 HB3 PRO 54 3HB PRO 54 17.598 27.602 12.023 410 HG2 PRO 54 2HG PRO 54 18.329 25.477 14.001 411 HG3 PRO 54 3HG PRO 54 16.769 26.282 13.750 412 HD2 PRO 54 2HD PRO 54 17.308 23.813 12.776 413 HD3 PRO 54 3HD PRO 54 16.233 24.955 11.943 414 H GLY 55 H GLY 55 21.098 26.820 10.055 415 HA2 GLY 55 2HA GLY 55 22.940 25.109 11.463 416 HA3 GLY 55 3HA GLY 55 23.339 26.246 10.184 417 H THR 56 H THR 56 25.069 27.226 11.132 418 HA THR 56 HA THR 56 24.701 28.416 13.788 419 HB THR 56 HB THR 56 26.733 27.062 13.456 420 HG1 THR 56 HG1 THR 56 27.311 29.842 13.726 421 HG21 THR 56 3HG2 THR 56 28.521 27.861 11.995 422 HG22 THR 56 1HG2 THR 56 27.489 29.175 11.434 423 HG23 THR 56 2HG2 THR 56 27.066 27.503 11.064 424 H GLN 57 H GLN 57 25.320 29.228 10.432 425 HA GLN 57 HA GLN 57 25.073 32.079 11.137 426 HB2 GLN 57 2HB GLN 57 27.078 30.704 9.582 427 HB3 GLN 57 3HB GLN 57 26.256 31.905 8.594 428 HG2 GLN 57 2HG GLN 57 27.607 32.410 11.236 429 HG3 GLN 57 3HG GLN 57 28.237 32.832 9.645 430 HE21 GLN 57 1HE2 GLN 57 27.815 34.645 11.765 431 HE22 GLN 57 2HE2 GLN 57 26.608 35.775 11.267 432 H ASN 58 H ASN 58 24.108 29.482 9.019 433 HA ASN 58 HA ASN 58 22.302 31.286 7.570 434 HB2 ASN 58 2HB ASN 58 23.938 29.258 6.651 435 HB3 ASN 58 3HB ASN 58 22.352 28.494 6.697 436 HD21 ASN 58 1HD2 ASN 58 20.575 29.777 5.686 437 HD22 ASN 58 2HD2 ASN 58 20.943 30.622 4.225 438 H LYS 59 H LYS 59 20.096 30.947 7.505 439 HA LYS 59 HA LYS 59 19.047 29.247 9.651 440 HB2 LYS 59 2HB LYS 59 18.536 31.848 9.145 441 HB3 LYS 59 3HB LYS 59 17.247 31.105 8.207 442 HG2 LYS 59 2HG LYS 59 16.360 31.576 10.345 443 HG3 LYS 59 3HG LYS 59 16.613 29.831 10.275 444 HD2 LYS 59 2HD LYS 59 18.419 29.904 11.723 445 HD3 LYS 59 3HD LYS 59 18.749 31.605 11.387 446 HE2 LYS 59 2HE LYS 59 16.184 30.811 12.701 447 HE3 LYS 59 3HE LYS 59 17.664 30.906 13.653 448 HZ1 LYS 59 3HZ LYS 59 16.420 32.983 13.703 449 HZ2 LYS 59 1HZ LYS 59 16.530 33.113 12.020 450 HZ3 LYS 59 2HZ LYS 59 17.928 33.200 12.968 451 H ALA 60 H ALA 60 17.057 28.049 9.273 452 HA ALA 60 HA ALA 60 17.198 26.432 6.968 453 HB1 ALA 60 1HB ALA 60 16.301 25.425 8.886 454 HB2 ALA 60 2HB ALA 60 15.138 26.728 9.132 455 HB3 ALA 60 3HB ALA 60 14.930 25.603 7.790 456 H THR 61 H THR 61 16.074 26.421 5.081 457 HA THR 61 HA THR 61 14.413 28.789 4.540 458 HB THR 61 HB THR 61 15.171 27.274 2.181 459 HG1 THR 61 HG1 THR 61 17.314 28.442 3.643 460 HG21 THR 61 3HG2 THR 61 14.439 29.795 2.674 461 HG22 THR 61 1HG2 THR 61 15.414 29.351 1.275 462 HG23 THR 61 2HG2 THR 61 16.189 30.008 2.716 463 H TYR 62 H TYR 62 12.427 28.589 3.516 464 HA TYR 62 HA TYR 62 11.299 25.869 3.525 465 HB2 TYR 62 2HB TYR 62 9.078 27.121 3.729 466 HB3 TYR 62 3HB TYR 62 10.128 27.127 5.141 467 HD1 TYR 62 HD1 TYR 62 11.363 29.173 5.758 468 HD2 TYR 62 HD2 TYR 62 8.568 29.145 2.551 469 HE1 TYR 62 HE1 TYR 62 11.292 31.631 5.807 470 HE2 TYR 62 HE2 TYR 62 8.490 31.603 2.590 471 HH TYR 62 HH TYR 62 9.531 33.466 3.378 472 H LYS 63 H LYS 63 10.931 25.039 1.590 473 HA LYS 63 HA LYS 63 9.940 26.776 -0.552 474 HB2 LYS 63 2HB LYS 63 12.427 26.443 -0.781 475 HB3 LYS 63 3HB LYS 63 12.114 24.726 -0.996 476 HG2 LYS 63 2HG LYS 63 11.283 24.994 -3.091 477 HG3 LYS 63 3HG LYS 63 10.650 26.608 -2.755 478 HD2 LYS 63 2HD LYS 63 12.941 27.497 -2.790 479 HD3 LYS 63 3HD LYS 63 13.553 25.883 -3.159 480 HE2 LYS 63 2HE LYS 63 12.661 25.896 -5.297 481 HE3 LYS 63 3HE LYS 63 11.465 27.128 -4.900 482 HZ1 LYS 63 3HZ LYS 63 14.007 28.228 -4.524 483 HZ2 LYS 63 1HZ LYS 63 12.843 28.655 -5.675 484 HZ3 LYS 63 2HZ LYS 63 13.998 27.475 -6.039 485 H ASN 64 H ASN 64 8.633 25.749 -2.085 486 HA ASN 64 HA ASN 64 7.569 23.169 -1.194 487 HB2 ASN 64 2HB ASN 64 5.592 23.710 -2.510 488 HB3 ASN 64 3HB ASN 64 5.982 25.052 -1.437 489 HD21 ASN 64 1HD2 ASN 64 6.942 26.928 -2.326 490 HD22 ASN 64 2HD2 ASN 64 6.749 27.312 -4.000 491 H VAL 65 H VAL 65 7.990 21.367 -2.280 492 HA VAL 65 HA VAL 65 8.442 21.443 -5.154 493 HB VAL 65 HB VAL 65 10.522 20.170 -5.048 494 HG11 VAL 65 1HG1 VAL 65 10.630 22.742 -3.476 495 HG12 VAL 65 2HG1 VAL 65 12.005 21.965 -4.263 496 HG13 VAL 65 3HG1 VAL 65 10.668 22.588 -5.232 497 HG21 VAL 65 3HG2 VAL 65 9.871 20.107 -2.194 498 HG22 VAL 65 1HG2 VAL 65 10.834 18.994 -3.164 499 HG23 VAL 65 2HG2 VAL 65 11.560 20.476 -2.542 500 H ASP 66 H ASP 66 8.296 19.369 -6.162 501 HA ASP 66 HA ASP 66 6.310 17.706 -5.106 502 HB2 ASP 66 2HB ASP 66 7.679 17.950 -7.541 503 HB3 ASP 66 3HB ASP 66 7.980 16.299 -7.004 504 H SER 67 H SER 67 9.780 17.614 -4.816 505 HA SER 67 HA SER 67 9.782 15.941 -2.582 506 HB2 SER 67 2HB SER 67 9.736 14.541 -5.149 507 HB3 SER 67 3HB SER 67 11.119 14.094 -4.149 508 HG SER 67 HG SER 67 9.460 13.856 -2.420 509 H HIS 68 H HIS 68 11.551 16.929 -5.470 510 HA HIS 68 HA HIS 68 13.642 17.776 -5.763 511 HB2 HIS 68 2HB HIS 68 12.836 18.634 -3.144 512 HB3 HIS 68 3HB HIS 68 14.562 18.288 -3.137 513 HD1 HIS 68 HD1 HIS 68 15.217 20.761 -2.961 514 HD2 HIS 68 HD2 HIS 68 12.928 19.872 -6.312 515 HE1 HIS 68 HE1 HIS 68 15.359 22.796 -4.431 516 H SER 69 H SER 69 13.128 14.903 -5.020 517 HA SER 69 HA SER 69 15.380 13.982 -3.544 518 HB2 SER 69 2HB SER 69 13.122 12.783 -4.036 519 HB3 SER 69 3HB SER 69 13.905 12.278 -5.533 520 HG SER 69 HG SER 69 14.274 11.377 -2.990 521 H SER 70 H SER 70 14.918 14.975 -6.788 522 HA SER 70 HA SER 70 17.071 13.464 -7.931 523 HB2 SER 70 2HB SER 70 15.467 15.825 -8.919 524 HB3 SER 70 3HB SER 70 16.762 15.088 -9.861 525 HG SER 70 HG SER 70 14.316 13.942 -9.030 526 H ALA 71 H ALA 71 17.010 16.006 -5.817 527 HA ALA 71 HA ALA 71 19.619 17.012 -6.753 528 HB1 ALA 71 1HB ALA 71 17.279 18.395 -5.572 529 HB2 ALA 71 2HB ALA 71 18.881 18.970 -5.111 530 HB3 ALA 71 3HB ALA 71 18.412 18.936 -6.810 531 H ILE 72 H ILE 72 17.813 15.635 -4.135 532 HA ILE 72 HA ILE 72 20.216 15.749 -2.431 533 HB ILE 72 HB ILE 72 18.751 15.500 -0.488 534 HG12 ILE 72 2HG1 ILE 72 16.215 16.106 -1.224 535 HG13 ILE 72 3HG1 ILE 72 16.716 15.137 -2.606 536 HG21 ILE 72 1HG2 ILE 72 17.364 17.768 -1.600 537 HG22 ILE 72 2HG2 ILE 72 18.624 17.716 -0.368 538 HG23 ILE 72 3HG2 ILE 72 19.062 17.771 -2.075 539 HD11 ILE 72 3HD1 ILE 72 16.098 14.336 0.129 540 HD12 ILE 72 1HD1 ILE 72 16.043 13.409 -1.370 541 HD13 ILE 72 2HD1 ILE 72 17.573 13.617 -0.516 542 H THR 73 H THR 73 21.019 13.886 -1.594 543 HA THR 73 HA THR 73 19.934 11.401 -2.672 544 HB THR 73 HB THR 73 22.061 10.403 -1.731 545 HG1 THR 73 HG1 THR 73 23.689 11.943 -1.177 546 HG21 THR 73 3HG2 THR 73 23.512 11.817 -3.429 547 HG22 THR 73 1HG2 THR 73 21.935 12.464 -3.879 548 HG23 THR 73 2HG2 THR 73 22.243 10.731 -3.995 549 H PHE 74 H PHE 74 20.274 9.445 -1.116 550 HA PHE 74 HA PHE 74 19.019 10.153 1.452 551 HB2 PHE 74 2HB PHE 74 17.823 8.680 -0.375 552 HB3 PHE 74 3HB PHE 74 18.833 7.402 0.294 553 HD1 PHE 74 HD1 PHE 74 18.643 6.860 2.737 554 HD2 PHE 74 HD2 PHE 74 15.878 9.392 0.721 555 HE1 PHE 74 HE1 PHE 74 17.016 6.525 4.553 556 HE2 PHE 74 HE2 PHE 74 14.248 9.061 2.534 557 HZ PHE 74 HZ PHE 74 14.816 7.626 4.453 558 H PHE 75 H PHE 75 21.057 10.444 2.472 559 HA PHE 75 HA PHE 75 22.063 8.098 3.710 560 HB2 PHE 75 2HB PHE 75 23.332 8.886 1.259 561 HB3 PHE 75 3HB PHE 75 24.459 9.111 2.593 562 HD1 PHE 75 HD1 PHE 75 23.952 6.961 4.393 563 HD2 PHE 75 HD2 PHE 75 23.844 6.954 0.138 564 HE1 PHE 75 HE1 PHE 75 24.439 4.550 4.388 565 HE2 PHE 75 HE2 PHE 75 24.329 4.542 0.126 566 HZ PHE 75 HZ PHE 75 24.627 3.336 2.253 567 H GLU 76 H GLU 76 24.393 8.826 4.752 568 HA GLU 76 HA GLU 76 23.854 11.444 5.993 569 HB2 GLU 76 2HB GLU 76 25.210 10.429 7.940 570 HB3 GLU 76 3HB GLU 76 23.547 9.904 7.718 571 HG2 GLU 76 2HG GLU 76 24.137 7.801 7.151 572 HG3 GLU 76 3HG GLU 76 25.618 8.315 6.344 573 HA PRO 77 HA PRO 77 27.813 12.886 4.774 574 HB2 PRO 77 2HB PRO 77 28.533 14.405 6.907 575 HB3 PRO 77 3HB PRO 77 27.271 14.886 5.767 576 HG2 PRO 77 2HG PRO 77 27.002 13.623 8.468 577 HG3 PRO 77 3HG PRO 77 26.067 14.951 7.756 578 HD2 PRO 77 2HD PRO 77 25.146 12.406 7.849 579 HD3 PRO 77 3HD PRO 77 24.734 13.523 6.532 580 H SER 78 H SER 78 30.134 13.171 5.649 581 HA SER 78 HA SER 78 30.851 10.689 7.046 582 HB2 SER 78 2HB SER 78 33.130 12.020 5.921 583 HB3 SER 78 3HB SER 78 32.441 10.456 5.486 584 HG SER 78 HG SER 78 31.615 11.336 3.773 585 H SER 79 H SER 79 30.598 13.993 7.539 586 HA SER 79 HA SER 79 31.150 15.332 9.298 587 HB2 SER 79 2HB SER 79 31.393 12.663 10.350 588 HB3 SER 79 3HB SER 79 32.647 13.692 11.042 589 HG SER 79 HG SER 79 30.149 13.581 11.767 590 H GLU 80 H GLU 80 33.888 13.081 9.504 591 HA GLU 80 HA GLU 80 35.839 15.064 9.690 592 HB2 GLU 80 2HB GLU 80 35.986 12.180 8.829 593 HB3 GLU 80 3HB GLU 80 37.416 13.195 8.950 594 HG2 GLU 80 2HG GLU 80 36.245 13.612 11.369 595 HG3 GLU 80 3HG GLU 80 35.818 11.933 11.047 596 H LYS 81 H LYS 81 34.518 13.405 6.877 597 HA LYS 81 HA LYS 81 36.368 14.539 5.018 598 HB2 LYS 81 2HB LYS 81 34.842 12.409 4.826 599 HB3 LYS 81 3HB LYS 81 33.660 13.554 4.205 600 HG2 LYS 81 2HG LYS 81 34.968 14.075 2.342 601 HG3 LYS 81 3HG LYS 81 36.426 13.389 3.063 602 HD2 LYS 81 2HD LYS 81 35.032 11.173 3.038 603 HD3 LYS 81 3HD LYS 81 34.100 12.009 1.794 604 HE2 LYS 81 2HE LYS 81 35.635 11.298 0.342 605 HE3 LYS 81 3HE LYS 81 36.730 12.470 1.073 606 HZ1 LYS 81 3HZ LYS 81 37.913 10.863 2.045 607 HZ2 LYS 81 1HZ LYS 81 37.168 9.814 0.946 608 HZ3 LYS 81 2HZ LYS 81 36.548 9.979 2.510 609 H ALA 82 H ALA 82 33.646 15.736 6.640 610 HA ALA 82 HA ALA 82 33.150 17.791 4.604 611 HB1 ALA 82 1HB ALA 82 31.571 16.889 6.997 612 HB2 ALA 82 2HB ALA 82 31.188 18.361 6.103 613 HB3 ALA 82 3HB ALA 82 31.128 16.795 5.293 614 H VAL 83 H VAL 83 34.755 17.281 7.558 615 HA VAL 83 HA VAL 83 34.607 19.996 8.510 616 HB VAL 83 HB VAL 83 36.379 17.700 9.354 617 HG11 VAL 83 1HG1 VAL 83 37.628 19.318 10.279 618 HG12 VAL 83 2HG1 VAL 83 36.367 20.538 10.087 619 HG13 VAL 83 3HG1 VAL 83 36.321 19.428 11.458 620 HG21 VAL 83 3HG2 VAL 83 33.661 18.153 9.790 621 HG22 VAL 83 1HG2 VAL 83 34.701 17.012 10.642 622 HG23 VAL 83 2HG2 VAL 83 34.455 18.633 11.290 623 H THR 84 H THR 84 35.914 21.639 8.021 624 HA THR 84 HA THR 84 38.624 21.265 7.160 625 HB THR 84 HB THR 84 36.866 22.614 5.130 626 HG1 THR 84 HG1 THR 84 37.700 19.899 4.977 627 HG21 THR 84 3HG2 THR 84 38.982 21.436 3.850 628 HG22 THR 84 1HG2 THR 84 39.690 21.888 5.400 629 HG23 THR 84 2HG2 THR 84 38.927 23.114 4.388 630 H ALA 85 H ALA 85 36.012 23.667 6.753 631 HA ALA 85 HA ALA 85 36.927 25.432 8.721 632 HB1 ALA 85 1HB ALA 85 37.798 27.236 7.143 633 HB2 ALA 85 2HB ALA 85 38.874 25.884 7.496 634 HB3 ALA 85 3HB ALA 85 38.001 25.940 5.964 635 H ASN 86 H ASN 86 34.492 24.362 7.530 636 HA ASN 86 HA ASN 86 33.190 26.824 6.585 637 HB2 ASN 86 2HB ASN 86 32.641 23.914 6.161 638 HB3 ASN 86 3HB ASN 86 31.301 25.054 6.078 639 HD21 ASN 86 1HD2 ASN 86 31.770 27.013 4.679 640 HD22 ASN 86 2HD2 ASN 86 32.548 26.702 3.167 641 H GLU 87 H GLU 87 32.380 27.934 8.249 642 HA GLU 87 HA GLU 87 31.680 26.901 10.747 643 HB2 GLU 87 2HB GLU 87 30.450 29.055 11.058 644 HB3 GLU 87 3HB GLU 87 32.108 29.248 10.507 645 HG2 GLU 87 2HG GLU 87 31.212 29.476 8.181 646 HG3 GLU 87 3HG GLU 87 29.595 29.517 8.881 647 H ASP 88 H ASP 88 29.635 27.672 7.949 648 HA ASP 88 HA ASP 88 27.189 26.939 9.156 649 HB2 ASP 88 2HB ASP 88 26.420 26.730 6.720 650 HB3 ASP 88 3HB ASP 88 27.026 28.301 7.239 651 H LEU 89 H LEU 89 29.471 25.152 7.119 652 HA LEU 89 HA LEU 89 27.980 22.800 6.842 653 HB2 LEU 89 2HB LEU 89 30.115 23.502 5.641 654 HB3 LEU 89 3HB LEU 89 30.977 22.889 7.051 655 HG LEU 89 HG LEU 89 30.123 20.653 6.630 656 HD11 LEU 89 1HD1 LEU 89 28.284 22.083 4.924 657 HD12 LEU 89 2HD1 LEU 89 28.194 20.437 5.551 658 HD13 LEU 89 3HD1 LEU 89 29.075 20.765 4.059 659 HD21 LEU 89 3HD2 LEU 89 31.472 20.137 4.787 660 HD22 LEU 89 1HD2 LEU 89 32.183 21.605 5.458 661 HD23 LEU 89 2HD2 LEU 89 31.171 21.696 4.017 662 H LEU 90 H LEU 90 30.063 23.934 9.425 663 HA LEU 90 HA LEU 90 30.383 21.540 10.835 664 HB2 LEU 90 2HB LEU 90 31.688 23.494 11.359 665 HB3 LEU 90 3HB LEU 90 30.238 24.383 11.821 666 HG LEU 90 HG LEU 90 29.960 23.000 13.779 667 HD11 LEU 90 1HD1 LEU 90 30.666 20.892 13.651 668 HD12 LEU 90 2HD1 LEU 90 32.267 21.517 14.043 669 HD13 LEU 90 3HD1 LEU 90 31.808 21.265 12.359 670 HD21 LEU 90 3HD2 LEU 90 32.869 23.745 13.686 671 HD22 LEU 90 1HD2 LEU 90 31.757 23.806 15.055 672 HD23 LEU 90 2HD2 LEU 90 31.589 24.959 13.730 673 H GLN 91 H GLN 91 27.938 24.096 11.245 674 HA GLN 91 HA GLN 91 26.489 22.751 13.265 675 HB2 GLN 91 2HB GLN 91 26.378 25.249 12.000 676 HB3 GLN 91 3HB GLN 91 24.822 24.497 11.674 677 HG2 GLN 91 2HG GLN 91 24.869 25.898 13.718 678 HG3 GLN 91 3HG GLN 91 24.382 24.227 14.000 679 HE21 GLN 91 1HE2 GLN 91 24.936 24.381 16.181 680 HE22 GLN 91 2HE2 GLN 91 26.582 24.372 16.706 681 H ALA 92 H ALA 92 26.232 22.806 9.753 682 HA ALA 92 HA ALA 92 23.772 21.473 9.509 683 HB1 ALA 92 1HB ALA 92 25.270 20.708 7.298 684 HB2 ALA 92 2HB ALA 92 24.207 22.110 7.423 685 HB3 ALA 92 3HB ALA 92 25.929 22.277 7.761 686 H ILE 93 H ILE 93 27.076 20.266 9.811 687 HA ILE 93 HA ILE 93 26.578 17.565 9.267 688 HB ILE 93 HB ILE 93 28.660 18.833 11.045 689 HG12 ILE 93 2HG1 ILE 93 29.287 17.521 8.451 690 HG13 ILE 93 3HG1 ILE 93 28.449 19.067 8.384 691 HG21 ILE 93 1HG2 ILE 93 29.750 16.473 10.397 692 HG22 ILE 93 2HG2 ILE 93 28.825 16.736 11.875 693 HG23 ILE 93 3HG2 ILE 93 28.053 16.000 10.470 694 HD11 ILE 93 3HD1 ILE 93 30.434 20.029 8.538 695 HD12 ILE 93 1HD1 ILE 93 30.500 19.465 10.207 696 HD13 ILE 93 2HD1 ILE 93 31.218 18.497 8.919 697 H ARG 94 H ARG 94 26.291 19.427 12.245 698 HA ARG 94 HA ARG 94 25.858 17.233 13.977 699 HB2 ARG 94 2HB ARG 94 25.444 20.180 14.121 700 HB3 ARG 94 3HB ARG 94 24.610 19.177 15.301 701 HG2 ARG 94 2HG ARG 94 27.233 18.232 15.266 702 HG3 ARG 94 3HG ARG 94 27.365 19.991 15.209 703 HD2 ARG 94 2HD ARG 94 25.879 20.147 17.160 704 HD3 ARG 94 3HD ARG 94 25.793 18.388 17.224 705 HE ARG 94 HE ARG 94 28.469 18.989 17.326 706 HH11 ARG 94 1HH1 ARG 94 25.650 19.775 19.211 707 HH12 ARG 94 2HH1 ARG 94 26.526 19.925 20.698 708 HH21 ARG 94 1HH2 ARG 94 29.633 19.184 19.278 709 HH22 ARG 94 2HH2 ARG 94 28.791 19.590 20.735 710 H ASN 95 H ASN 95 23.603 19.449 12.346 711 HA ASN 95 HA ASN 95 21.228 18.372 13.331 712 HB2 ASN 95 2HB ASN 95 21.650 19.576 10.588 713 HB3 ASN 95 3HB ASN 95 20.127 19.465 11.465 714 HD21 ASN 95 1HD2 ASN 95 20.852 20.240 13.972 715 HD22 ASN 95 2HD2 ASN 95 21.371 21.888 13.950 716 H ALA 96 H ALA 96 22.762 17.716 10.176 717 HA ALA 96 HA ALA 96 21.099 15.766 9.226 718 HB1 ALA 96 1HB ALA 96 23.954 15.175 8.835 719 HB2 ALA 96 2HB ALA 96 22.668 15.412 7.651 720 HB3 ALA 96 3HB ALA 96 23.449 16.807 8.396 721 H GLU 97 H GLU 97 23.582 15.450 11.692 722 HA GLU 97 HA GLU 97 23.510 12.604 11.818 723 HB2 GLU 97 2HB GLU 97 25.470 13.683 12.630 724 HB3 GLU 97 3HB GLU 97 24.540 14.719 13.703 725 HG2 GLU 97 2HG GLU 97 23.943 12.800 15.069 726 HG3 GLU 97 3HG GLU 97 24.833 11.737 13.980 727 H GLU 98 H GLU 98 21.967 15.194 13.679 728 HA GLU 98 HA GLU 98 20.671 13.470 15.525 729 HB2 GLU 98 2HB GLU 98 19.911 15.370 16.489 730 HB3 GLU 98 3HB GLU 98 21.093 16.136 15.437 731 HG2 GLU 98 2HG GLU 98 19.275 16.431 13.748 732 HG3 GLU 98 3HG GLU 98 18.137 15.862 14.968 733 H ASP 99 H ASP 99 19.840 14.716 12.367 734 HA ASP 99 HA ASP 99 17.099 13.806 12.523 735 HB2 ASP 99 2HB ASP 99 17.199 15.671 11.171 736 HB3 ASP 99 3HB ASP 99 18.765 15.229 10.496 737 H LYS 100 H LYS 100 16.979 11.626 12.683 738 HA LYS 100 HA LYS 100 17.886 10.095 10.365 739 HB2 LYS 100 2HB LYS 100 18.979 9.872 13.053 740 HB3 LYS 100 3HB LYS 100 18.315 8.346 12.484 741 HG2 LYS 100 2HG LYS 100 19.883 8.105 10.860 742 HG3 LYS 100 3HG LYS 100 20.068 9.845 10.625 743 HD2 LYS 100 2HD LYS 100 22.067 8.806 11.630 744 HD3 LYS 100 3HD LYS 100 21.337 10.023 12.679 745 HE2 LYS 100 2HE LYS 100 20.288 8.302 14.009 746 HE3 LYS 100 3HE LYS 100 20.867 7.052 12.910 747 HZ1 LYS 100 3HZ LYS 100 22.410 6.967 14.588 748 HZ2 LYS 100 1HZ LYS 100 22.372 8.633 14.879 749 HZ3 LYS 100 2HZ LYS 100 23.174 8.031 13.517 750 H GLU 101 H GLU 101 15.368 10.754 10.483 751 HA GLU 101 HA GLU 101 13.208 10.043 10.641 752 HB2 GLU 101 2HB GLU 101 14.520 8.158 9.353 753 HB3 GLU 101 3HB GLU 101 14.171 7.216 10.796 754 HG2 GLU 101 2HG GLU 101 11.750 7.817 10.465 755 HG3 GLU 101 3HG GLU 101 12.213 8.467 8.893 756 H SER 102 H SER 102 14.629 10.539 13.139 757 HA SER 102 HA SER 102 12.685 9.552 14.947 758 HB2 SER 102 2HB SER 102 14.322 7.559 14.533 759 HB3 SER 102 3HB SER 102 15.414 8.469 15.576 760 HG SER 102 HG SER 102 14.337 7.562 17.133 761 H ASN 103 H ASN 103 13.729 12.069 14.237 762 HA ASN 103 HA ASN 103 15.573 12.960 16.247 763 HB2 ASN 103 2HB ASN 103 15.186 13.948 13.887 764 HB3 ASN 103 3HB ASN 103 13.812 14.774 14.616 765 HD21 ASN 103 1HD2 ASN 103 15.241 16.584 13.786 766 HD22 ASN 103 2HD2 ASN 103 16.373 17.242 14.914 767 H ALA 104 H ALA 104 15.164 14.133 18.087 768 HA ALA 104 HA ALA 104 14.033 14.862 19.922 769 HB1 ALA 104 1HB ALA 104 12.201 16.219 19.602 770 HB2 ALA 104 2HB ALA 104 12.925 16.225 17.993 771 HB3 ALA 104 3HB ALA 104 11.531 15.197 18.330 772 H LEU 105 H LEU 105 13.917 12.015 19.022 773 HA LEU 105 HA LEU 105 11.415 11.186 20.325 774 HB2 LEU 105 2HB LEU 105 12.661 10.320 17.979 775 HB3 LEU 105 3HB LEU 105 12.931 9.031 19.150 776 HG LEU 105 HG LEU 105 10.940 8.633 17.782 777 HD11 LEU 105 1HD1 LEU 105 11.081 7.815 20.115 778 HD12 LEU 105 2HD1 LEU 105 9.428 8.098 19.571 779 HD13 LEU 105 3HD1 LEU 105 10.215 9.260 20.639 780 HD21 LEU 105 3HD2 LEU 105 9.590 10.939 19.129 781 HD22 LEU 105 1HD2 LEU 105 9.115 10.055 17.678 782 HD23 LEU 105 2HD2 LEU 105 10.477 11.174 17.622 783 H ARG 106 H ARG 106 14.910 10.628 20.286 784 HA ARG 106 HA ARG 106 14.720 9.031 22.722 785 HB2 ARG 106 2HB ARG 106 17.006 8.446 22.359 786 HB3 ARG 106 3HB ARG 106 16.191 8.342 20.804 787 HG2 ARG 106 2HG ARG 106 17.060 10.831 20.593 788 HG3 ARG 106 3HG ARG 106 18.264 10.242 21.741 789 HD2 ARG 106 2HD ARG 106 18.777 8.384 20.204 790 HD3 ARG 106 3HD ARG 106 17.618 9.042 19.050 791 HE ARG 106 HE ARG 106 20.290 9.930 19.485 792 HH11 ARG 106 1HH1 ARG 106 17.097 11.004 18.605 793 HH12 ARG 106 2HH1 ARG 106 17.664 12.366 17.697 794 HH21 ARG 106 1HH2 ARG 106 21.048 11.721 18.293 795 HH22 ARG 106 2HH2 ARG 106 19.911 12.773 17.520 796 H PHE 107 H PHE 107 15.757 12.171 21.610 797 HA PHE 107 HA PHE 107 16.990 12.819 24.164 798 HB2 PHE 107 2HB PHE 107 17.014 13.940 21.457 799 HB3 PHE 107 3HB PHE 107 16.908 15.164 22.718 800 HD1 PHE 107 HD2 PHE 107 18.637 15.062 24.602 801 HD2 PHE 107 HD1 PHE 107 19.054 12.983 20.912 802 HE1 PHE 107 HE2 PHE 107 21.060 14.878 24.984 803 HE2 PHE 107 HE1 PHE 107 21.479 12.794 21.289 804 HZ PHE 107 HZ PHE 107 22.485 13.744 23.326 805 H GLU 108 H GLU 108 16.401 15.150 24.966 806 HA GLU 108 HA GLU 108 13.689 15.030 25.830 807 HB2 GLU 108 2HB GLU 108 16.006 16.842 26.294 808 HB3 GLU 108 3HB GLU 108 14.400 17.462 26.653 809 HG2 GLU 108 2HG GLU 108 14.659 14.845 27.758 810 HG3 GLU 108 3HG GLU 108 16.036 15.827 28.253 811 HA PRO 109 HA PRO 109 11.685 17.348 22.676 812 HB2 PRO 109 2HB PRO 109 9.575 18.302 24.094 813 HB3 PRO 109 3HB PRO 109 9.711 16.612 23.594 814 HG2 PRO 109 2HG PRO 109 10.327 17.858 26.245 815 HG3 PRO 109 3HG PRO 109 9.486 16.337 25.892 816 HD2 PRO 109 2HD PRO 109 12.084 16.423 26.649 817 HD3 PRO 109 3HD PRO 109 11.451 15.184 25.546 818 H THR 110 H THR 110 10.467 19.612 22.559 819 HA THR 110 HA THR 110 11.843 21.662 24.108 820 HB THR 110 HB THR 110 13.349 21.364 22.225 821 HG1 THR 110 HG1 THR 110 12.896 23.524 22.961 822 HG21 THR 110 3HG2 THR 110 11.086 20.728 20.785 823 HG22 THR 110 1HG2 THR 110 12.697 20.983 20.114 824 HG23 THR 110 2HG2 THR 110 11.535 22.310 20.147 Start of MODEL 13 1 H1 MET 1 H MET 1 1.191 -1.947 -2.629 2 HA MET 1 HA MET 1 2.912 -2.635 -4.376 3 HB2 MET 1 2HB MET 1 2.793 0.362 -4.752 4 HB3 MET 1 3HB MET 1 4.053 -0.672 -5.414 5 HG2 MET 1 2HG MET 1 1.622 -1.814 -6.207 6 HG3 MET 1 3HG MET 1 1.454 -0.077 -6.453 7 HE1 MET 1 3HE MET 1 1.994 0.225 -9.545 8 HE2 MET 1 1HE MET 1 2.082 1.119 -8.027 9 HE3 MET 1 2HE MET 1 3.502 1.007 -9.067 10 H LEU 2 H LEU 2 4.643 -3.182 -3.233 11 HA LEU 2 HA LEU 2 5.203 -2.106 -0.694 12 HB2 LEU 2 2HB LEU 2 5.828 -4.396 -1.846 13 HB3 LEU 2 3HB LEU 2 7.316 -3.533 -2.230 14 HG LEU 2 HG LEU 2 6.418 -3.499 0.597 15 HD11 LEU 2 1HD1 LEU 2 6.834 -5.669 1.089 16 HD12 LEU 2 2HD1 LEU 2 7.991 -5.864 -0.226 17 HD13 LEU 2 3HD1 LEU 2 6.260 -5.897 -0.563 18 HD21 LEU 2 3HD2 LEU 2 8.766 -2.935 -0.925 19 HD22 LEU 2 1HD2 LEU 2 9.127 -4.201 0.249 20 HD23 LEU 2 2HD2 LEU 2 8.461 -2.660 0.791 21 H GLN 3 H GLN 3 7.178 -1.053 0.013 22 HA GLN 3 HA GLN 3 8.244 0.783 -2.030 23 HB2 GLN 3 2HB GLN 3 8.571 2.414 -0.214 24 HB3 GLN 3 3HB GLN 3 6.881 1.964 -0.400 25 HG2 GLN 3 2HG GLN 3 7.131 0.396 1.493 26 HG3 GLN 3 3HG GLN 3 8.783 0.973 1.709 27 HE21 GLN 3 1HE2 GLN 3 5.664 2.553 1.099 28 HE22 GLN 3 2HE2 GLN 3 5.766 3.650 2.430 29 H GLU 4 H GLU 4 10.445 1.302 -1.978 30 HA GLU 4 HA GLU 4 12.112 -0.777 -0.825 31 HB2 GLU 4 2HB GLU 4 12.702 1.501 -2.715 32 HB3 GLU 4 3HB GLU 4 13.934 0.400 -2.116 33 HG2 GLU 4 2HG GLU 4 12.609 -1.481 -3.088 34 HG3 GLU 4 3HG GLU 4 11.562 -0.275 -3.835 35 H ARG 5 H ARG 5 11.467 2.637 -0.420 36 HA ARG 5 HA ARG 5 13.208 2.623 1.951 37 HB2 ARG 5 2HB ARG 5 13.452 4.266 -0.406 38 HB3 ARG 5 3HB ARG 5 13.132 5.270 1.002 39 HG2 ARG 5 2HG ARG 5 15.361 3.264 0.727 40 HG3 ARG 5 3HG ARG 5 15.516 5.019 0.631 41 HD2 ARG 5 2HD ARG 5 14.480 5.043 2.975 42 HD3 ARG 5 3HD ARG 5 14.845 3.319 3.011 43 HE ARG 5 HE ARG 5 17.088 4.979 2.307 44 HH11 ARG 5 1HH1 ARG 5 15.279 3.541 4.911 45 HH12 ARG 5 2HH1 ARG 5 16.604 3.582 6.028 46 HH21 ARG 5 1HH2 ARG 5 18.839 5.038 3.767 47 HH22 ARG 5 2HH2 ARG 5 18.628 4.434 5.376 48 H VAL 6 H VAL 6 12.660 4.420 3.483 49 HA VAL 6 HA VAL 6 9.756 4.936 3.464 50 HB VAL 6 HB VAL 6 11.463 4.585 5.929 51 HG11 VAL 6 1HG1 VAL 6 9.676 5.741 6.721 52 HG12 VAL 6 2HG1 VAL 6 8.616 5.219 5.410 53 HG13 VAL 6 3HG1 VAL 6 8.968 4.126 6.749 54 HG21 VAL 6 3HG2 VAL 6 11.422 2.399 5.470 55 HG22 VAL 6 1HG2 VAL 6 9.698 2.470 5.836 56 HG23 VAL 6 2HG2 VAL 6 10.252 2.611 4.167 57 H PHE 7 H PHE 7 9.042 6.956 4.022 58 HA PHE 7 HA PHE 7 11.129 9.007 4.349 59 HB2 PHE 7 2HB PHE 7 8.410 9.127 3.046 60 HB3 PHE 7 3HB PHE 7 9.332 10.572 3.448 61 HD1 PHE 7 HD1 PHE 7 9.605 7.371 1.572 62 HD2 PHE 7 HD2 PHE 7 10.846 11.427 1.926 63 HE1 PHE 7 HE1 PHE 7 10.818 7.182 -0.560 64 HE2 PHE 7 HE2 PHE 7 12.060 11.245 -0.207 65 HZ PHE 7 HZ PHE 7 12.047 9.121 -1.453 66 H HIS 8 H HIS 8 11.171 10.143 6.174 67 HA HIS 8 HA HIS 8 8.753 10.188 7.856 68 HB2 HIS 8 2HB HIS 8 10.756 8.691 8.604 69 HB3 HIS 8 3HB HIS 8 11.504 10.220 9.056 70 HD1 HIS 8 HD1 HIS 8 11.416 9.810 11.565 71 HD2 HIS 8 HD2 HIS 8 7.699 9.557 9.725 72 HE1 HIS 8 HE1 HIS 8 9.741 9.741 13.440 73 H ILE 9 H ILE 9 8.883 11.969 9.545 74 HA ILE 9 HA ILE 9 8.977 14.450 8.331 75 HB ILE 9 HB ILE 9 7.783 14.161 10.398 76 HG12 ILE 9 2HG1 ILE 9 9.951 16.000 11.291 77 HG13 ILE 9 3HG1 ILE 9 9.140 16.368 9.772 78 HG21 ILE 9 1HG2 ILE 9 10.437 13.823 11.782 79 HG22 ILE 9 2HG2 ILE 9 8.834 13.732 12.510 80 HG23 ILE 9 3HG2 ILE 9 9.355 12.494 11.367 81 HD11 ILE 9 3HD1 ILE 9 8.301 16.982 12.372 82 HD12 ILE 9 1HD1 ILE 9 7.430 17.243 10.861 83 HD13 ILE 9 2HD1 ILE 9 7.193 15.750 11.769 84 H ASN 10 H ASN 10 11.494 12.776 10.159 85 HA ASN 10 HA ASN 10 13.335 14.914 10.241 86 HB2 ASN 10 2HB ASN 10 14.179 12.030 10.160 87 HB3 ASN 10 3HB ASN 10 14.890 13.363 11.065 88 HD21 ASN 10 1HD2 ASN 10 13.480 14.317 12.763 89 HD22 ASN 10 2HD2 ASN 10 12.502 13.233 13.688 90 H ASP 11 H ASP 11 13.011 12.161 8.017 91 HA ASP 11 HA ASP 11 13.983 11.721 5.995 92 HB2 ASP 11 2HB ASP 11 12.697 14.285 5.923 93 HB3 ASP 11 3HB ASP 11 14.101 14.312 4.860 94 H ARG 12 H ARG 12 16.057 11.149 6.720 95 HA ARG 12 HA ARG 12 18.108 13.150 7.016 96 HB2 ARG 12 2HB ARG 12 19.615 11.154 7.250 97 HB3 ARG 12 3HB ARG 12 18.290 11.215 8.404 98 HG2 ARG 12 2HG ARG 12 17.534 9.244 7.737 99 HG3 ARG 12 3HG ARG 12 17.504 9.764 6.051 100 HD2 ARG 12 2HD ARG 12 19.598 8.935 5.615 101 HD3 ARG 12 3HD ARG 12 20.126 9.094 7.290 102 HE ARG 12 HE ARG 12 18.969 6.801 6.092 103 HH11 ARG 12 1HH1 ARG 12 19.053 8.611 9.064 104 HH12 ARG 12 2HH1 ARG 12 18.694 7.240 10.061 105 HH21 ARG 12 1HH2 ARG 12 18.496 4.989 7.393 106 HH22 ARG 12 2HH2 ARG 12 18.378 5.180 9.110 107 H VAL 13 H VAL 13 18.721 14.185 5.215 108 HA VAL 13 HA VAL 13 19.816 12.590 3.030 109 HB VAL 13 HB VAL 13 18.735 14.236 1.387 110 HG11 VAL 13 1HG1 VAL 13 16.491 12.667 2.358 111 HG12 VAL 13 2HG1 VAL 13 17.395 12.535 0.848 112 HG13 VAL 13 3HG1 VAL 13 17.991 11.741 2.306 113 HG21 VAL 13 3HG2 VAL 13 16.737 14.536 3.622 114 HG22 VAL 13 1HG2 VAL 13 17.931 15.764 3.203 115 HG23 VAL 13 2HG2 VAL 13 16.697 15.298 2.032 116 H TRP 14 H TRP 14 20.901 14.124 1.385 117 HA TRP 14 HA TRP 14 22.160 16.359 2.833 118 HB2 TRP 14 2HB TRP 14 23.476 14.344 1.002 119 HB3 TRP 14 3HB TRP 14 24.260 15.811 1.583 120 HD1 TRP 14 HD1 TRP 14 23.494 12.273 2.574 121 HE1 TRP 14 HE1 TRP 14 24.436 11.808 4.924 122 HE3 TRP 14 HE3 TRP 14 24.672 17.057 3.938 123 HZ2 TRP 14 HZ2 TRP 14 25.533 13.274 7.072 124 HZ3 TRP 14 HZ3 TRP 14 25.664 17.440 6.158 125 HH2 TRP 14 HH2 TRP 14 26.083 15.587 7.690 126 H LEU 15 H LEU 15 22.262 18.260 1.787 127 HA LEU 15 HA LEU 15 21.317 18.315 -0.999 128 HB2 LEU 15 2HB LEU 15 20.031 19.495 0.875 129 HB3 LEU 15 3HB LEU 15 21.355 20.658 0.878 130 HG LEU 15 HG LEU 15 20.043 20.125 -1.726 131 HD11 LEU 15 1HD1 LEU 15 18.112 20.224 -0.274 132 HD12 LEU 15 2HD1 LEU 15 18.236 21.713 -1.210 133 HD13 LEU 15 3HD1 LEU 15 18.723 21.694 0.485 134 HD21 LEU 15 3HD2 LEU 15 21.877 21.939 -0.714 135 HD22 LEU 15 1HD2 LEU 15 20.382 22.866 -0.850 136 HD23 LEU 15 2HD2 LEU 15 21.040 22.042 -2.264 137 H LYS 16 H LYS 16 22.588 19.107 -2.561 138 HA LYS 16 HA LYS 16 25.271 19.978 -1.831 139 HB2 LYS 16 2HB LYS 16 25.107 18.267 -3.539 140 HB3 LYS 16 3HB LYS 16 24.035 19.278 -4.499 141 HG2 LYS 16 2HG LYS 16 26.228 19.325 -5.460 142 HG3 LYS 16 3HG LYS 16 25.875 20.908 -4.765 143 HD2 LYS 16 2HD LYS 16 28.142 20.268 -4.218 144 HD3 LYS 16 3HD LYS 16 27.159 20.274 -2.752 145 HE2 LYS 16 2HE LYS 16 28.666 18.318 -2.907 146 HE3 LYS 16 3HE LYS 16 26.962 17.875 -2.817 147 HZ1 LYS 16 3HZ LYS 16 28.460 18.070 -5.369 148 HZ2 LYS 16 1HZ LYS 16 26.923 17.405 -5.124 149 HZ3 LYS 16 2HZ LYS 16 28.290 16.629 -4.500 150 H THR 17 H THR 17 25.581 22.072 -1.485 151 HA THR 17 HA THR 17 23.843 24.072 -2.618 152 HB THR 17 HB THR 17 26.387 24.736 -1.176 153 HG1 THR 17 HG1 THR 17 23.959 23.878 0.053 154 HG21 THR 17 3HG2 THR 17 25.460 26.762 -0.959 155 HG22 THR 17 1HG2 THR 17 23.923 26.086 -0.422 156 HG23 THR 17 2HG2 THR 17 24.269 26.229 -2.145 157 H GLY 18 H GLY 18 27.023 22.783 -3.254 158 HA2 GLY 18 2HA GLY 18 27.104 24.229 -5.768 159 HA3 GLY 18 3HA GLY 18 28.377 24.648 -4.631 160 H ALA 19 H ALA 19 30.091 23.291 -4.355 161 HA ALA 19 HA ALA 19 30.038 20.744 -5.829 162 HB1 ALA 19 1HB ALA 19 32.189 22.849 -5.892 163 HB2 ALA 19 2HB ALA 19 32.430 21.193 -6.452 164 HB3 ALA 19 3HB ALA 19 31.240 22.228 -7.243 165 H ASN 20 H ASN 20 31.520 22.668 -3.266 166 HA ASN 20 HA ASN 20 32.292 20.155 -1.936 167 HB2 ASN 20 2HB ASN 20 33.899 22.490 -2.590 168 HB3 ASN 20 3HB ASN 20 33.934 22.134 -0.865 169 HD21 ASN 20 1HD2 ASN 20 35.452 20.790 -0.247 170 HD22 ASN 20 2HD2 ASN 20 36.202 19.577 -1.223 171 H THR 21 H THR 21 30.006 22.307 -1.839 172 HA THR 21 HA THR 21 29.966 22.463 1.103 173 HB THR 21 HB THR 21 28.335 24.525 -0.075 174 HG1 THR 21 HG1 THR 21 30.122 25.762 -0.923 175 HG21 THR 21 3HG2 THR 21 29.643 25.958 1.411 176 HG22 THR 21 1HG2 THR 21 30.801 24.654 1.665 177 HG23 THR 21 2HG2 THR 21 29.143 24.486 2.242 178 H TRP 22 H TRP 22 28.335 21.363 1.952 179 HA TRP 22 HA TRP 22 25.802 21.206 0.473 180 HB2 TRP 22 2HB TRP 22 25.623 18.810 1.350 181 HB3 TRP 22 3HB TRP 22 26.747 19.089 0.022 182 HD1 TRP 22 HD1 TRP 22 27.123 19.242 3.896 183 HE1 TRP 22 HE1 TRP 22 29.263 17.956 4.524 184 HE3 TRP 22 HE3 TRP 22 28.597 17.786 -0.778 185 HZ2 TRP 22 HZ2 TRP 22 31.305 16.516 3.212 186 HZ3 TRP 22 HZ3 TRP 22 30.655 16.457 -1.005 187 HH2 TRP 22 HH2 TRP 22 31.980 15.837 0.949 188 H TRP 23 H TRP 23 23.941 20.736 1.811 189 HA TRP 23 HA TRP 23 24.342 21.189 4.682 190 HB2 TRP 23 2HB TRP 23 23.195 23.064 2.828 191 HB3 TRP 23 3HB TRP 23 21.966 22.545 3.978 192 HD1 TRP 23 HD1 TRP 23 25.726 23.370 4.527 193 HE1 TRP 23 HE1 TRP 23 25.882 25.090 6.435 194 HE3 TRP 23 HE3 TRP 23 20.739 24.024 5.438 195 HZ2 TRP 23 HZ2 TRP 23 24.123 26.532 8.107 196 HZ3 TRP 23 HZ3 TRP 23 20.059 25.591 7.209 197 HH2 TRP 23 HH2 TRP 23 21.717 26.818 8.515 198 HA PRO 24 HA PRO 24 21.386 17.986 5.220 199 HB2 PRO 24 2HB PRO 24 20.277 18.708 7.590 200 HB3 PRO 24 3HB PRO 24 21.912 18.049 7.456 201 HG2 PRO 24 2HG PRO 24 21.034 20.899 7.717 202 HG3 PRO 24 3HG PRO 24 22.373 20.062 8.524 203 HD2 PRO 24 2HD PRO 24 22.743 21.675 6.381 204 HD3 PRO 24 3HD PRO 24 23.762 20.256 6.695 205 H ALA 25 H ALA 25 19.322 17.538 4.656 206 HA ALA 25 HA ALA 25 17.416 19.783 4.527 207 HB1 ALA 25 1HB ALA 25 16.940 17.699 2.556 208 HB2 ALA 25 2HB ALA 25 17.022 19.450 2.357 209 HB3 ALA 25 3HB ALA 25 18.502 18.491 2.352 210 H LYS 26 H LYS 26 15.449 19.440 5.377 211 HA LYS 26 HA LYS 26 14.689 16.679 6.057 212 HB2 LYS 26 2HB LYS 26 15.320 17.502 8.148 213 HB3 LYS 26 3HB LYS 26 14.721 19.118 7.802 214 HG2 LYS 26 2HG LYS 26 12.659 17.038 7.804 215 HG3 LYS 26 3HG LYS 26 13.458 17.288 9.358 216 HD2 LYS 26 2HD LYS 26 12.403 19.586 7.737 217 HD3 LYS 26 3HD LYS 26 11.371 18.685 8.849 218 HE2 LYS 26 2HE LYS 26 13.976 19.976 9.641 219 HE3 LYS 26 3HE LYS 26 12.403 20.755 9.809 220 HZ1 LYS 26 3HZ LYS 26 12.224 19.751 11.760 221 HZ2 LYS 26 1HZ LYS 26 13.641 18.861 11.509 222 HZ3 LYS 26 2HZ LYS 26 12.156 18.259 10.967 223 H VAL 27 H VAL 27 12.677 16.110 5.495 224 HA VAL 27 HA VAL 27 10.953 18.175 4.333 225 HB VAL 27 HB VAL 27 10.622 15.182 4.137 226 HG11 VAL 27 1HG1 VAL 27 8.683 15.696 3.185 227 HG12 VAL 27 2HG1 VAL 27 9.029 17.422 3.323 228 HG13 VAL 27 3HG1 VAL 27 9.570 16.523 1.905 229 HG21 VAL 27 3HG2 VAL 27 12.390 17.040 2.680 230 HG22 VAL 27 1HG2 VAL 27 12.541 15.304 2.953 231 HG23 VAL 27 2HG2 VAL 27 11.473 15.908 1.687 232 H THR 28 H THR 28 9.287 18.919 5.453 233 HA THR 28 HA THR 28 8.470 17.656 7.911 234 HB THR 28 HB THR 28 8.574 20.082 7.833 235 HG1 THR 28 HG1 THR 28 7.010 19.820 9.237 236 HG21 THR 28 3HG2 THR 28 6.750 19.714 5.500 237 HG22 THR 28 1HG2 THR 28 8.128 20.796 5.689 238 HG23 THR 28 2HG2 THR 28 6.598 21.169 6.483 239 H SER 29 H SER 29 7.672 17.194 4.721 240 HA SER 29 HA SER 29 6.025 16.035 3.662 241 HB2 SER 29 2HB SER 29 6.383 14.615 5.844 242 HB3 SER 29 3HB SER 29 4.796 15.249 6.280 243 HG SER 29 HG SER 29 4.320 13.450 5.177 244 H VAL 30 H VAL 30 5.552 18.656 3.772 245 HA VAL 30 HA VAL 30 2.679 18.854 4.406 246 HB VAL 30 HB VAL 30 4.726 21.076 4.449 247 HG11 VAL 30 1HG1 VAL 30 2.793 22.147 3.774 248 HG12 VAL 30 2HG1 VAL 30 1.746 21.049 4.676 249 HG13 VAL 30 3HG1 VAL 30 2.687 22.272 5.530 250 HG21 VAL 30 3HG2 VAL 30 4.496 21.104 6.805 251 HG22 VAL 30 1HG2 VAL 30 3.130 19.990 6.756 252 HG23 VAL 30 2HG2 VAL 30 4.750 19.417 6.357 253 H THR 31 H THR 31 1.517 18.824 2.605 254 HA THR 31 HA THR 31 2.569 19.317 0.026 255 HB THR 31 HB THR 31 0.622 17.848 0.420 256 HG1 THR 31 HG1 THR 31 0.566 18.404 -1.649 257 HG21 THR 31 3HG2 THR 31 -0.380 20.139 1.777 258 HG22 THR 31 1HG2 THR 31 -1.105 18.537 1.645 259 HG23 THR 31 2HG2 THR 31 -1.468 19.771 0.438 260 H GLY 32 H GLY 32 1.361 20.901 -1.496 261 HA2 GLY 32 2HA GLY 32 0.958 23.486 -0.136 262 HA3 GLY 32 3HA GLY 32 2.061 23.364 -1.499 263 H VAL 33 H VAL 33 -1.194 22.046 -0.902 264 HA VAL 33 HA VAL 33 -2.434 23.784 -2.800 265 HB VAL 33 HB VAL 33 -1.391 22.393 -4.448 266 HG11 VAL 33 1HG1 VAL 33 -2.644 19.982 -3.149 267 HG12 VAL 33 2HG1 VAL 33 -1.500 20.016 -4.493 268 HG13 VAL 33 3HG1 VAL 33 -0.975 20.480 -2.874 269 HG21 VAL 33 3HG2 VAL 33 -3.917 21.029 -4.716 270 HG22 VAL 33 1HG2 VAL 33 -4.153 22.699 -4.198 271 HG23 VAL 33 2HG2 VAL 33 -3.249 22.352 -5.672 272 H GLU 34 H GLU 34 -2.628 20.628 -1.185 273 HA GLU 34 HA GLU 34 -4.826 21.222 0.390 274 HB2 GLU 34 2HB GLU 34 -6.561 19.808 -0.865 275 HB3 GLU 34 3HB GLU 34 -6.267 21.441 -1.445 276 HG2 GLU 34 2HG GLU 34 -5.395 20.741 -3.397 277 HG3 GLU 34 3HG GLU 34 -4.622 19.332 -2.673 278 H GLY 35 H GLY 35 -3.043 18.820 -1.419 279 HA2 GLY 35 2HA GLY 35 -2.033 17.192 0.313 280 HA3 GLY 35 3HA GLY 35 -3.718 16.780 0.592 281 H VAL 36 H VAL 36 -2.263 17.534 -2.528 282 HA VAL 36 HA VAL 36 -3.237 15.019 -3.584 283 HB VAL 36 HB VAL 36 -1.621 17.040 -5.117 284 HG11 VAL 36 1HG1 VAL 36 -1.946 15.111 -6.395 285 HG12 VAL 36 2HG1 VAL 36 -3.598 14.893 -5.813 286 HG13 VAL 36 3HG1 VAL 36 -3.222 16.202 -6.934 287 HG21 VAL 36 3HG2 VAL 36 -4.296 17.342 -3.968 288 HG22 VAL 36 1HG2 VAL 36 -3.186 18.559 -4.597 289 HG23 VAL 36 2HG2 VAL 36 -4.218 17.651 -5.702 290 H ASP 37 H ASP 37 -0.627 15.706 -1.845 291 HA ASP 37 HA ASP 37 1.586 14.802 -3.284 292 HB2 ASP 37 2HB ASP 37 2.063 15.809 -1.220 293 HB3 ASP 37 3HB ASP 37 0.903 14.802 -0.357 294 H GLY 38 H GLY 38 -1.129 13.083 -2.075 295 HA2 GLY 38 2HA GLY 38 0.252 10.505 -2.238 296 HA3 GLY 38 3HA GLY 38 -1.367 10.773 -1.610 297 H ARG 39 H ARG 39 -1.070 12.491 -4.428 298 HA ARG 39 HA ARG 39 -2.067 10.247 -6.055 299 HB2 ARG 39 2HB ARG 39 -3.093 13.052 -6.384 300 HB3 ARG 39 3HB ARG 39 -3.809 11.546 -6.941 301 HG2 ARG 39 2HG ARG 39 -4.311 10.937 -4.620 302 HG3 ARG 39 3HG ARG 39 -3.623 12.471 -4.082 303 HD2 ARG 39 2HD ARG 39 -5.513 13.555 -4.532 304 HD3 ARG 39 3HD ARG 39 -5.568 12.893 -6.165 305 HE ARG 39 HE ARG 39 -7.024 11.967 -3.867 306 HH11 ARG 39 1HH1 ARG 39 -5.735 11.099 -6.982 307 HH12 ARG 39 2HH1 ARG 39 -6.857 9.802 -7.231 308 HH21 ARG 39 1HH2 ARG 39 -8.507 10.263 -4.183 309 HH22 ARG 39 2HH2 ARG 39 -8.434 9.328 -5.638 310 H SER 40 H SER 40 0.552 11.823 -5.753 311 HA SER 40 HA SER 40 2.263 12.447 -7.117 312 HB2 SER 40 2HB SER 40 0.936 10.499 -8.528 313 HB3 SER 40 3HB SER 40 0.942 11.843 -9.670 314 HG SER 40 HG SER 40 2.946 11.377 -10.031 315 H SER 41 H SER 41 2.921 14.106 -8.621 316 HA SER 41 HA SER 41 1.287 16.423 -8.450 317 HB2 SER 41 2HB SER 41 3.605 16.836 -8.413 318 HB3 SER 41 3HB SER 41 3.900 15.812 -9.817 319 HG SER 41 HG SER 41 2.796 18.402 -9.709 320 H GLU 42 H GLU 42 1.530 13.885 -10.731 321 HA GLU 42 HA GLU 42 0.836 15.155 -13.114 322 HB2 GLU 42 2HB GLU 42 0.199 13.012 -13.931 323 HB3 GLU 42 3HB GLU 42 1.541 12.752 -12.824 324 HG2 GLU 42 2HG GLU 42 0.275 11.197 -11.878 325 HG3 GLU 42 3HG GLU 42 -0.658 12.526 -11.192 326 H THR 43 H THR 43 -1.033 14.533 -10.294 327 HA THR 43 HA THR 43 -3.610 14.648 -11.527 328 HB THR 43 HB THR 43 -2.814 15.059 -8.638 329 HG1 THR 43 HG1 THR 43 -3.832 12.857 -8.591 330 HG21 THR 43 3HG2 THR 43 -5.348 14.281 -8.463 331 HG22 THR 43 1HG2 THR 43 -5.440 15.079 -10.032 332 HG23 THR 43 2HG2 THR 43 -4.906 15.981 -8.614 333 H GLY 44 H GLY 44 -1.640 16.974 -9.687 334 HA2 GLY 44 2HA GLY 44 -2.888 19.159 -11.140 335 HA3 GLY 44 3HA GLY 44 -3.203 19.131 -9.411 336 H THR 45 H THR 45 -1.658 19.821 -8.007 337 HA THR 45 HA THR 45 1.017 20.406 -9.042 338 HB THR 45 HB THR 45 0.839 22.643 -7.725 339 HG1 THR 45 HG1 THR 45 -1.239 22.319 -6.867 340 HG21 THR 45 3HG2 THR 45 -0.433 22.162 -10.415 341 HG22 THR 45 1HG2 THR 45 1.224 22.660 -10.077 342 HG23 THR 45 2HG2 THR 45 -0.111 23.771 -9.770 343 H SER 46 H SER 46 0.679 18.315 -7.471 344 HA SER 46 HA SER 46 0.677 18.796 -4.687 345 HB2 SER 46 2HB SER 46 0.335 16.576 -4.898 346 HB3 SER 46 3HB SER 46 1.132 16.516 -6.470 347 HG SER 46 HG SER 46 3.025 16.129 -5.520 348 H THR 47 H THR 47 2.121 20.147 -3.811 349 HA THR 47 HA THR 47 4.968 19.721 -4.451 350 HB THR 47 HB THR 47 5.430 22.019 -4.145 351 HG1 THR 47 HG1 THR 47 4.200 22.577 -2.391 352 HG21 THR 47 3HG2 THR 47 4.447 22.862 -6.010 353 HG22 THR 47 1HG2 THR 47 2.822 22.424 -5.484 354 HG23 THR 47 2HG2 THR 47 3.884 21.200 -6.181 355 H VAL 48 H VAL 48 6.199 19.052 -2.823 356 HA VAL 48 HA VAL 48 5.102 19.102 -0.112 357 HB VAL 48 HB VAL 48 7.530 17.646 -1.168 358 HG11 VAL 48 1HG1 VAL 48 6.177 17.716 1.506 359 HG12 VAL 48 2HG1 VAL 48 7.115 16.312 0.993 360 HG13 VAL 48 3HG1 VAL 48 7.888 17.892 1.122 361 HG21 VAL 48 3HG2 VAL 48 5.859 15.671 -0.641 362 HG22 VAL 48 1HG2 VAL 48 4.654 16.918 -0.962 363 HG23 VAL 48 2HG2 VAL 48 5.840 16.499 -2.198 364 H THR 49 H THR 49 5.612 20.816 1.077 365 HA THR 49 HA THR 49 7.982 22.374 0.561 366 HB THR 49 HB THR 49 6.010 22.680 2.831 367 HG1 THR 49 HG1 THR 49 4.728 23.674 1.454 368 HG21 THR 49 3HG2 THR 49 7.947 24.634 1.584 369 HG22 THR 49 1HG2 THR 49 8.133 23.861 3.158 370 HG23 THR 49 2HG2 THR 49 6.809 24.993 2.883 371 H VAL 50 H VAL 50 9.902 22.113 1.486 372 HA VAL 50 HA VAL 50 10.057 20.529 3.970 373 HB VAL 50 HB VAL 50 12.107 19.594 3.297 374 HG11 VAL 50 1HG1 VAL 50 9.980 18.839 2.075 375 HG12 VAL 50 2HG1 VAL 50 10.652 19.677 0.675 376 HG13 VAL 50 3HG1 VAL 50 11.536 18.339 1.412 377 HG21 VAL 50 3HG2 VAL 50 13.185 20.321 1.104 378 HG22 VAL 50 1HG2 VAL 50 12.142 21.740 1.195 379 HG23 VAL 50 2HG2 VAL 50 13.322 21.429 2.469 380 H LEU 51 H LEU 51 11.488 21.189 5.576 381 HA LEU 51 HA LEU 51 12.826 23.772 5.192 382 HB2 LEU 51 2HB LEU 51 10.478 23.685 6.466 383 HB3 LEU 51 3HB LEU 51 11.539 23.283 7.815 384 HG LEU 51 HG LEU 51 12.224 25.677 6.196 385 HD11 LEU 51 1HD1 LEU 51 10.148 25.897 8.342 386 HD12 LEU 51 2HD1 LEU 51 9.691 25.633 6.660 387 HD13 LEU 51 3HD1 LEU 51 10.607 27.071 7.108 388 HD21 LEU 51 3HD2 LEU 51 12.240 25.105 9.158 389 HD22 LEU 51 1HD2 LEU 51 12.939 26.512 8.356 390 HD23 LEU 51 2HD2 LEU 51 13.617 24.908 8.073 391 H THR 52 H THR 52 14.909 23.405 5.534 392 HA THR 52 HA THR 52 15.904 21.189 7.000 393 HB THR 52 HB THR 52 18.077 21.976 6.514 394 HG1 THR 52 HG1 THR 52 18.146 24.287 5.615 395 HG21 THR 52 3HG2 THR 52 16.671 23.224 4.200 396 HG22 THR 52 1HG2 THR 52 16.388 21.517 4.539 397 HG23 THR 52 2HG2 THR 52 18.024 22.093 4.220 398 H TYR 53 H TYR 53 17.970 22.067 8.521 399 HA TYR 53 HA TYR 53 16.577 23.354 10.765 400 HB2 TYR 53 2HB TYR 53 18.313 21.074 10.566 401 HB3 TYR 53 3HB TYR 53 19.043 22.271 11.631 402 HD1 TYR 53 HD2 TYR 53 15.477 21.302 11.083 403 HD2 TYR 53 HD1 TYR 53 18.733 21.557 13.811 404 HE1 TYR 53 HE2 TYR 53 13.998 20.573 12.908 405 HE2 TYR 53 HE1 TYR 53 17.262 20.828 15.643 406 HH TYR 53 HH TYR 53 13.813 20.188 15.087 407 HA PRO 54 HA PRO 54 19.129 26.923 10.559 408 HB2 PRO 54 2HB PRO 54 19.192 27.631 13.180 409 HB3 PRO 54 3HB PRO 54 17.758 27.830 12.165 410 HG2 PRO 54 2HG PRO 54 18.403 25.664 14.127 411 HG3 PRO 54 3HG PRO 54 16.871 26.517 13.866 412 HD2 PRO 54 2HD PRO 54 17.349 24.044 12.871 413 HD3 PRO 54 3HD PRO 54 16.318 25.226 12.039 414 H GLY 55 H GLY 55 21.266 27.174 10.374 415 HA2 GLY 55 2HA GLY 55 23.041 25.330 11.753 416 HA3 GLY 55 3HA GLY 55 23.487 26.448 10.473 417 H THR 56 H THR 56 25.163 27.521 11.355 418 HA THR 56 HA THR 56 24.836 28.662 14.041 419 HB THR 56 HB THR 56 26.870 27.415 13.848 420 HG1 THR 56 HG1 THR 56 27.526 29.087 15.000 421 HG21 THR 56 3HG2 THR 56 28.588 27.976 12.160 422 HG22 THR 56 1HG2 THR 56 27.451 29.091 11.403 423 HG23 THR 56 2HG2 THR 56 27.103 27.362 11.434 424 H GLN 57 H GLN 57 25.445 29.513 10.686 425 HA GLN 57 HA GLN 57 25.127 32.350 11.416 426 HB2 GLN 57 2HB GLN 57 27.169 31.028 9.842 427 HB3 GLN 57 3HB GLN 57 26.351 32.272 8.904 428 HG2 GLN 57 2HG GLN 57 27.690 32.651 11.573 429 HG3 GLN 57 3HG GLN 57 28.317 33.162 10.006 430 HE21 GLN 57 1HE2 GLN 57 26.470 34.433 8.752 431 HE22 GLN 57 2HE2 GLN 57 25.801 35.743 9.657 432 H ASN 58 H ASN 58 24.251 29.752 9.263 433 HA ASN 58 HA ASN 58 22.433 31.528 7.796 434 HB2 ASN 58 2HB ASN 58 24.125 29.567 6.874 435 HB3 ASN 58 3HB ASN 58 22.578 28.728 6.931 436 HD21 ASN 58 1HD2 ASN 58 24.531 30.884 5.226 437 HD22 ASN 58 2HD2 ASN 58 23.382 31.367 4.030 438 H LYS 59 H LYS 59 20.235 31.150 7.695 439 HA LYS 59 HA LYS 59 19.188 29.383 9.793 440 HB2 LYS 59 2HB LYS 59 17.643 31.521 8.338 441 HB3 LYS 59 3HB LYS 59 17.262 30.763 9.878 442 HG2 LYS 59 2HG LYS 59 19.596 32.596 9.370 443 HG3 LYS 59 3HG LYS 59 18.079 33.053 10.147 444 HD2 LYS 59 2HD LYS 59 19.869 30.860 11.175 445 HD3 LYS 59 3HD LYS 59 19.992 32.538 11.707 446 HE2 LYS 59 2HE LYS 59 17.418 32.252 12.140 447 HE3 LYS 59 3HE LYS 59 17.831 30.539 12.191 448 HZ1 LYS 59 3HZ LYS 59 19.279 32.548 13.811 449 HZ2 LYS 59 1HZ LYS 59 19.243 30.868 14.009 450 HZ3 LYS 59 2HZ LYS 59 17.873 31.791 14.371 451 H ALA 60 H ALA 60 17.271 28.132 9.374 452 HA ALA 60 HA ALA 60 17.396 26.701 6.936 453 HB1 ALA 60 1HB ALA 60 15.171 26.681 8.970 454 HB2 ALA 60 2HB ALA 60 15.521 25.438 7.768 455 HB3 ALA 60 3HB ALA 60 16.653 25.730 9.088 456 H THR 61 H THR 61 16.161 26.775 5.119 457 HA THR 61 HA THR 61 14.337 29.073 4.877 458 HB THR 61 HB THR 61 15.195 27.722 2.402 459 HG1 THR 61 HG1 THR 61 17.023 28.837 4.229 460 HG21 THR 61 3HG2 THR 61 15.741 30.264 1.977 461 HG22 THR 61 1HG2 THR 61 14.730 30.493 3.403 462 HG23 THR 61 2HG2 THR 61 14.075 29.686 1.979 463 H TYR 62 H TYR 62 12.455 28.805 3.473 464 HA TYR 62 HA TYR 62 11.417 26.047 3.543 465 HB2 TYR 62 2HB TYR 62 9.175 27.006 3.868 466 HB3 TYR 62 3HB TYR 62 10.269 27.471 5.166 467 HD1 TYR 62 HD2 TYR 62 11.255 29.788 5.153 468 HD2 TYR 62 HD1 TYR 62 8.110 28.635 2.529 469 HE1 TYR 62 HE2 TYR 62 10.724 32.157 4.758 470 HE2 TYR 62 HE1 TYR 62 7.571 31.001 2.126 471 HH TYR 62 HH TYR 62 7.872 33.183 3.298 472 H LYS 63 H LYS 63 11.001 25.198 1.624 473 HA LYS 63 HA LYS 63 10.044 26.911 -0.545 474 HB2 LYS 63 2HB LYS 63 12.571 26.606 -0.679 475 HB3 LYS 63 3HB LYS 63 12.251 24.908 -1.008 476 HG2 LYS 63 2HG LYS 63 11.212 25.386 -3.055 477 HG3 LYS 63 3HG LYS 63 11.044 27.099 -2.663 478 HD2 LYS 63 2HD LYS 63 13.542 27.258 -2.669 479 HD3 LYS 63 3HD LYS 63 13.589 25.600 -3.272 480 HE2 LYS 63 2HE LYS 63 12.365 26.247 -5.252 481 HE3 LYS 63 3HE LYS 63 12.165 27.885 -4.632 482 HZ1 LYS 63 3HZ LYS 63 14.905 26.999 -4.763 483 HZ2 LYS 63 1HZ LYS 63 14.213 28.455 -5.274 484 HZ3 LYS 63 2HZ LYS 63 14.146 27.091 -6.271 485 H ASN 64 H ASN 64 8.809 25.842 -2.112 486 HA ASN 64 HA ASN 64 7.806 23.230 -1.242 487 HB2 ASN 64 2HB ASN 64 5.876 23.725 -2.723 488 HB3 ASN 64 3HB ASN 64 6.109 24.951 -1.480 489 HD21 ASN 64 1HD2 ASN 64 6.738 27.002 -2.057 490 HD22 ASN 64 2HD2 ASN 64 6.742 27.554 -3.694 491 H VAL 65 H VAL 65 8.347 21.449 -2.305 492 HA VAL 65 HA VAL 65 8.820 21.526 -5.174 493 HB VAL 65 HB VAL 65 10.965 20.386 -5.057 494 HG11 VAL 65 1HG1 VAL 65 10.962 22.822 -5.188 495 HG12 VAL 65 2HG1 VAL 65 10.945 22.925 -3.426 496 HG13 VAL 65 3HG1 VAL 65 12.343 22.242 -4.258 497 HG21 VAL 65 3HG2 VAL 65 11.051 19.156 -3.114 498 HG22 VAL 65 1HG2 VAL 65 12.095 20.515 -2.696 499 HG23 VAL 65 2HG2 VAL 65 10.428 20.475 -2.123 500 H ASP 66 H ASP 66 8.706 19.475 -6.180 501 HA ASP 66 HA ASP 66 6.854 17.696 -5.056 502 HB2 ASP 66 2HB ASP 66 7.390 18.030 -7.519 503 HB3 ASP 66 3HB ASP 66 8.794 16.998 -7.260 504 H SER 67 H SER 67 10.330 17.798 -4.931 505 HA SER 67 HA SER 67 10.530 16.068 -2.747 506 HB2 SER 67 2HB SER 67 10.491 14.747 -5.363 507 HB3 SER 67 3HB SER 67 11.910 14.345 -4.396 508 HG SER 67 HG SER 67 9.422 13.442 -4.131 509 H HIS 68 H HIS 68 12.152 17.147 -5.702 510 HA HIS 68 HA HIS 68 14.180 18.113 -6.063 511 HB2 HIS 68 2HB HIS 68 13.414 18.935 -3.392 512 HB3 HIS 68 3HB HIS 68 15.164 18.797 -3.533 513 HD1 HIS 68 HD1 HIS 68 15.579 21.316 -3.472 514 HD2 HIS 68 HD2 HIS 68 13.036 20.130 -6.535 515 HE1 HIS 68 HE1 HIS 68 15.337 23.328 -4.961 516 H SER 69 H SER 69 13.809 15.233 -5.021 517 HA SER 69 HA SER 69 16.145 14.496 -3.632 518 HB2 SER 69 2HB SER 69 14.161 13.041 -3.797 519 HB3 SER 69 3HB SER 69 14.464 12.828 -5.521 520 HG SER 69 HG SER 69 15.406 11.360 -3.604 521 H SER 70 H SER 70 15.609 15.364 -6.902 522 HA SER 70 HA SER 70 17.800 13.949 -8.057 523 HB2 SER 70 2HB SER 70 15.791 15.888 -8.942 524 HB3 SER 70 3HB SER 70 17.358 16.107 -9.719 525 HG SER 70 HG SER 70 17.238 14.100 -10.561 526 H ALA 71 H ALA 71 17.661 16.549 -5.965 527 HA ALA 71 HA ALA 71 20.301 17.525 -6.845 528 HB1 ALA 71 1HB ALA 71 19.558 19.543 -5.324 529 HB2 ALA 71 2HB ALA 71 19.039 19.424 -7.005 530 HB3 ALA 71 3HB ALA 71 17.945 18.942 -5.709 531 H ILE 72 H ILE 72 18.454 16.131 -4.289 532 HA ILE 72 HA ILE 72 20.768 16.369 -2.478 533 HB ILE 72 HB ILE 72 19.268 16.114 -0.600 534 HG12 ILE 72 2HG1 ILE 72 17.046 15.983 -2.651 535 HG13 ILE 72 3HG1 ILE 72 17.620 14.634 -1.676 536 HG21 ILE 72 1HG2 ILE 72 19.285 18.317 -2.367 537 HG22 ILE 72 2HG2 ILE 72 17.643 18.154 -1.748 538 HG23 ILE 72 3HG2 ILE 72 18.994 18.315 -0.628 539 HD11 ILE 72 3HD1 ILE 72 17.023 16.256 0.306 540 HD12 ILE 72 1HD1 ILE 72 15.952 16.961 -0.905 541 HD13 ILE 72 2HD1 ILE 72 15.796 15.258 -0.473 542 H THR 73 H THR 73 21.558 14.551 -1.485 543 HA THR 73 HA THR 73 20.753 12.016 -2.680 544 HB THR 73 HB THR 73 22.853 11.470 -0.952 545 HG1 THR 73 HG1 THR 73 23.653 13.781 -2.344 546 HG21 THR 73 3HG2 THR 73 22.347 10.926 -3.464 547 HG22 THR 73 1HG2 THR 73 24.009 10.922 -2.874 548 HG23 THR 73 2HG2 THR 73 23.394 12.312 -3.768 549 H PHE 74 H PHE 74 21.014 10.072 -1.088 550 HA PHE 74 HA PHE 74 19.458 10.702 1.333 551 HB2 PHE 74 2HB PHE 74 18.430 9.289 -0.616 552 HB3 PHE 74 3HB PHE 74 19.417 7.993 0.051 553 HD1 PHE 74 HD1 PHE 74 19.131 7.482 2.553 554 HD2 PHE 74 HD2 PHE 74 16.338 9.737 0.267 555 HE1 PHE 74 HE1 PHE 74 17.391 7.018 4.229 556 HE2 PHE 74 HE2 PHE 74 14.593 9.277 1.940 557 HZ PHE 74 HZ PHE 74 15.118 7.917 3.924 558 H PHE 75 H PHE 75 21.620 11.034 2.305 559 HA PHE 75 HA PHE 75 23.229 10.363 3.766 560 HB2 PHE 75 2HB PHE 75 21.175 8.571 4.160 561 HB3 PHE 75 3HB PHE 75 22.545 7.514 3.833 562 HD1 PHE 75 HD2 PHE 75 22.015 10.680 5.743 563 HD2 PHE 75 HD1 PHE 75 23.533 6.704 5.727 564 HE1 PHE 75 HE2 PHE 75 22.783 10.968 8.063 565 HE2 PHE 75 HE1 PHE 75 24.303 6.985 8.047 566 HZ PHE 75 HZ PHE 75 23.930 9.119 9.217 567 H GLU 76 H GLU 76 25.305 10.044 3.307 568 HA GLU 76 HA GLU 76 26.402 7.787 2.090 569 HB2 GLU 76 2HB GLU 76 25.288 9.684 0.227 570 HB3 GLU 76 3HB GLU 76 27.029 9.576 0.011 571 HG2 GLU 76 2HG GLU 76 25.460 7.061 0.224 572 HG3 GLU 76 3HG GLU 76 25.391 7.984 -1.276 573 HA PRO 77 HA PRO 77 29.759 11.251 2.188 574 HB2 PRO 77 2HB PRO 77 28.934 13.788 2.693 575 HB3 PRO 77 3HB PRO 77 29.032 13.116 1.061 576 HG2 PRO 77 2HG PRO 77 26.646 13.424 2.842 577 HG3 PRO 77 3HG PRO 77 26.795 13.749 1.105 578 HD2 PRO 77 2HD PRO 77 25.668 11.484 2.072 579 HD3 PRO 77 3HD PRO 77 26.568 11.526 0.542 580 H SER 78 H SER 78 30.950 12.071 3.956 581 HA SER 78 HA SER 78 29.752 11.460 6.540 582 HB2 SER 78 2HB SER 78 32.541 11.750 5.509 583 HB3 SER 78 3HB SER 78 32.254 12.012 7.229 584 HG SER 78 HG SER 78 31.311 9.715 5.877 585 H SER 79 H SER 79 30.676 14.178 4.642 586 HA SER 79 HA SER 79 30.354 16.414 4.965 587 HB2 SER 79 2HB SER 79 28.354 15.471 6.383 588 HB3 SER 79 3HB SER 79 29.342 15.978 7.753 589 HG SER 79 HG SER 79 27.915 17.484 5.972 590 H GLU 80 H GLU 80 31.061 15.256 8.262 591 HA GLU 80 HA GLU 80 32.881 17.301 8.861 592 HB2 GLU 80 2HB GLU 80 31.680 15.345 10.302 593 HB3 GLU 80 3HB GLU 80 33.311 14.699 10.194 594 HG2 GLU 80 2HG GLU 80 33.318 17.506 10.886 595 HG3 GLU 80 3HG GLU 80 32.374 16.547 12.025 596 H LYS 81 H LYS 81 33.252 14.370 7.082 597 HA LYS 81 HA LYS 81 36.125 14.266 7.318 598 HB2 LYS 81 2HB LYS 81 34.514 12.292 6.912 599 HB3 LYS 81 3HB LYS 81 34.495 12.829 5.237 600 HG2 LYS 81 2HG LYS 81 36.170 11.308 5.113 601 HG3 LYS 81 3HG LYS 81 37.120 12.728 5.557 602 HD2 LYS 81 2HD LYS 81 36.179 11.561 7.956 603 HD3 LYS 81 3HD LYS 81 36.825 10.257 6.957 604 HE2 LYS 81 2HE LYS 81 38.863 11.733 6.614 605 HE3 LYS 81 3HE LYS 81 38.223 12.744 7.909 606 HZ1 LYS 81 3HZ LYS 81 38.763 11.238 9.467 607 HZ2 LYS 81 1HZ LYS 81 39.867 10.687 8.309 608 HZ3 LYS 81 2HZ LYS 81 38.378 9.908 8.495 609 H ALA 82 H ALA 82 33.881 15.975 5.422 610 HA ALA 82 HA ALA 82 35.912 16.543 3.369 611 HB1 ALA 82 1HB ALA 82 33.214 15.895 3.112 612 HB2 ALA 82 2HB ALA 82 33.307 17.624 2.772 613 HB3 ALA 82 3HB ALA 82 34.292 16.489 1.849 614 H VAL 83 H VAL 83 34.281 17.844 6.058 615 HA VAL 83 HA VAL 83 34.149 20.565 5.429 616 HB VAL 83 HB VAL 83 33.151 19.485 7.458 617 HG11 VAL 83 1HG1 VAL 83 35.586 19.922 9.039 618 HG12 VAL 83 2HG1 VAL 83 34.375 18.643 9.145 619 HG13 VAL 83 3HG1 VAL 83 35.655 18.550 7.934 620 HG21 VAL 83 3HG2 VAL 83 34.212 22.074 7.124 621 HG22 VAL 83 1HG2 VAL 83 32.880 21.572 8.166 622 HG23 VAL 83 2HG2 VAL 83 34.527 21.608 8.796 623 H THR 84 H THR 84 35.590 22.208 5.445 624 HA THR 84 HA THR 84 38.394 21.523 6.047 625 HB THR 84 HB THR 84 37.716 23.796 4.229 626 HG1 THR 84 HG1 THR 84 36.531 21.921 3.478 627 HG21 THR 84 3HG2 THR 84 39.878 23.601 3.530 628 HG22 THR 84 1HG2 THR 84 39.904 21.850 3.739 629 HG23 THR 84 2HG2 THR 84 40.059 22.908 5.141 630 H ALA 85 H ALA 85 36.003 24.146 6.073 631 HA ALA 85 HA ALA 85 36.697 25.081 8.615 632 HB1 ALA 85 1HB ALA 85 38.148 26.368 6.343 633 HB2 ALA 85 2HB ALA 85 37.690 27.327 7.752 634 HB3 ALA 85 3HB ALA 85 38.738 25.921 7.944 635 H ASN 86 H ASN 86 34.355 24.568 7.117 636 HA ASN 86 HA ASN 86 33.206 27.197 6.566 637 HB2 ASN 86 2HB ASN 86 32.396 24.378 5.964 638 HB3 ASN 86 3HB ASN 86 31.167 25.638 5.986 639 HD21 ASN 86 1HD2 ASN 86 31.015 27.022 4.313 640 HD22 ASN 86 2HD2 ASN 86 32.032 26.978 2.918 641 H GLU 87 H GLU 87 32.570 28.233 8.354 642 HA GLU 87 HA GLU 87 31.913 27.166 10.808 643 HB2 GLU 87 2HB GLU 87 30.640 29.306 11.185 644 HB3 GLU 87 3HB GLU 87 32.297 29.510 10.634 645 HG2 GLU 87 2HG GLU 87 31.395 29.781 8.314 646 HG3 GLU 87 3HG GLU 87 29.780 29.811 9.020 647 H ASP 88 H ASP 88 29.707 27.998 8.149 648 HA ASP 88 HA ASP 88 27.337 27.213 9.454 649 HB2 ASP 88 2HB ASP 88 26.373 27.130 7.147 650 HB3 ASP 88 3HB ASP 88 27.216 28.633 7.514 651 H LEU 89 H LEU 89 29.597 25.458 7.384 652 HA LEU 89 HA LEU 89 28.111 23.105 7.074 653 HB2 LEU 89 2HB LEU 89 30.206 23.786 5.847 654 HB3 LEU 89 3HB LEU 89 31.110 23.268 7.268 655 HG LEU 89 HG LEU 89 30.096 20.980 6.933 656 HD11 LEU 89 1HD1 LEU 89 29.312 22.196 4.288 657 HD12 LEU 89 2HD1 LEU 89 28.218 21.601 5.537 658 HD13 LEU 89 3HD1 LEU 89 29.267 20.476 4.675 659 HD21 LEU 89 3HD2 LEU 89 31.985 20.424 5.882 660 HD22 LEU 89 1HD2 LEU 89 32.342 22.151 5.864 661 HD23 LEU 89 2HD2 LEU 89 31.584 21.392 4.463 662 H LEU 90 H LEU 90 30.202 24.211 9.666 663 HA LEU 90 HA LEU 90 30.514 21.800 11.050 664 HB2 LEU 90 2HB LEU 90 31.852 23.688 11.626 665 HB3 LEU 90 3HB LEU 90 30.427 24.651 12.010 666 HG LEU 90 HG LEU 90 30.025 23.366 13.999 667 HD11 LEU 90 1HD1 LEU 90 31.874 21.490 12.717 668 HD12 LEU 90 2HD1 LEU 90 30.559 21.195 13.855 669 HD13 LEU 90 3HD1 LEU 90 32.137 21.716 14.447 670 HD21 LEU 90 3HD2 LEU 90 32.934 23.691 14.300 671 HD22 LEU 90 1HD2 LEU 90 31.607 24.389 15.230 672 HD23 LEU 90 2HD2 LEU 90 32.070 25.102 13.685 673 H GLN 91 H GLN 91 28.088 24.369 11.499 674 HA GLN 91 HA GLN 91 26.639 23.021 13.514 675 HB2 GLN 91 2HB GLN 91 26.511 25.514 12.205 676 HB3 GLN 91 3HB GLN 91 24.943 24.756 11.967 677 HG2 GLN 91 2HG GLN 91 25.101 26.204 13.981 678 HG3 GLN 91 3HG GLN 91 24.597 24.546 14.308 679 HE21 GLN 91 1HE2 GLN 91 25.244 24.794 16.473 680 HE22 GLN 91 2HE2 GLN 91 26.910 24.736 16.926 681 H ALA 92 H ALA 92 26.357 23.093 10.002 682 HA ALA 92 HA ALA 92 23.899 21.752 9.773 683 HB1 ALA 92 1HB ALA 92 25.407 21.011 7.548 684 HB2 ALA 92 2HB ALA 92 24.299 22.377 7.679 685 HB3 ALA 92 3HB ALA 92 26.017 22.600 8.012 686 H ILE 93 H ILE 93 27.209 20.557 10.044 687 HA ILE 93 HA ILE 93 26.726 17.859 9.478 688 HB ILE 93 HB ILE 93 28.800 19.130 11.262 689 HG12 ILE 93 2HG1 ILE 93 29.436 17.816 8.672 690 HG13 ILE 93 3HG1 ILE 93 28.588 19.357 8.599 691 HG21 ILE 93 1HG2 ILE 93 29.059 17.058 12.089 692 HG22 ILE 93 2HG2 ILE 93 28.162 16.310 10.769 693 HG23 ILE 93 3HG2 ILE 93 29.859 16.736 10.551 694 HD11 ILE 93 3HD1 ILE 93 30.546 20.359 8.790 695 HD12 ILE 93 1HD1 ILE 93 30.659 19.729 10.433 696 HD13 ILE 93 2HD1 ILE 93 31.358 18.823 9.090 697 H ARG 94 H ARG 94 26.436 19.689 12.478 698 HA ARG 94 HA ARG 94 25.995 17.462 14.174 699 HB2 ARG 94 2HB ARG 94 26.337 20.188 14.522 700 HB3 ARG 94 3HB ARG 94 24.670 19.921 15.016 701 HG2 ARG 94 2HG ARG 94 25.383 18.252 16.622 702 HG3 ARG 94 3HG ARG 94 27.057 18.434 16.093 703 HD2 ARG 94 2HD ARG 94 27.118 20.701 16.881 704 HD3 ARG 94 3HD ARG 94 25.393 20.667 17.245 705 HE ARG 94 HE ARG 94 26.606 18.625 18.701 706 HH11 ARG 94 1HH1 ARG 94 26.637 22.103 18.537 707 HH12 ARG 94 2HH1 ARG 94 27.020 22.309 20.214 708 HH21 ARG 94 1HH2 ARG 94 27.110 18.883 20.910 709 HH22 ARG 94 2HH2 ARG 94 27.290 20.477 21.563 710 H ASN 95 H ASN 95 23.789 19.697 12.518 711 HA ASN 95 HA ASN 95 21.388 18.681 13.524 712 HB2 ASN 95 2HB ASN 95 21.774 19.813 10.749 713 HB3 ASN 95 3HB ASN 95 20.303 19.827 11.716 714 HD21 ASN 95 1HD2 ASN 95 21.193 20.650 14.141 715 HD22 ASN 95 2HD2 ASN 95 21.821 22.256 14.030 716 H ALA 96 H ALA 96 22.828 18.018 10.325 717 HA ALA 96 HA ALA 96 21.133 16.050 9.460 718 HB1 ALA 96 1HB ALA 96 23.403 17.131 8.490 719 HB2 ALA 96 2HB ALA 96 23.977 15.517 8.911 720 HB3 ALA 96 3HB ALA 96 22.619 15.708 7.802 721 H GLU 97 H GLU 97 23.695 15.793 11.834 722 HA GLU 97 HA GLU 97 23.735 12.945 11.939 723 HB2 GLU 97 2HB GLU 97 25.673 14.088 12.713 724 HB3 GLU 97 3HB GLU 97 24.731 15.085 13.812 725 HG2 GLU 97 2HG GLU 97 24.239 13.147 15.187 726 HG3 GLU 97 3HG GLU 97 25.127 12.113 14.069 727 H GLU 98 H GLU 98 22.132 15.462 13.845 728 HA GLU 98 HA GLU 98 20.954 13.686 15.719 729 HB2 GLU 98 2HB GLU 98 20.120 15.552 16.693 730 HB3 GLU 98 3HB GLU 98 21.254 16.365 15.624 731 HG2 GLU 98 2HG GLU 98 19.401 16.580 13.961 732 HG3 GLU 98 3HG GLU 98 18.305 15.969 15.199 733 H ASP 99 H ASP 99 19.959 14.945 12.602 734 HA ASP 99 HA ASP 99 17.291 13.845 12.822 735 HB2 ASP 99 2HB ASP 99 18.718 15.629 10.986 736 HB3 ASP 99 3HB ASP 99 17.629 14.510 10.173 737 H LYS 100 H LYS 100 17.332 11.657 12.907 738 HA LYS 100 HA LYS 100 18.374 10.277 10.535 739 HB2 LYS 100 2HB LYS 100 18.956 9.661 13.411 740 HB3 LYS 100 3HB LYS 100 18.922 8.361 12.227 741 HG2 LYS 100 2HG LYS 100 20.527 10.059 10.937 742 HG3 LYS 100 3HG LYS 100 20.876 10.545 12.598 743 HD2 LYS 100 2HD LYS 100 20.877 7.648 11.849 744 HD3 LYS 100 3HD LYS 100 22.279 8.657 11.484 745 HE2 LYS 100 2HE LYS 100 21.804 9.340 14.065 746 HE3 LYS 100 3HE LYS 100 21.279 7.657 14.064 747 HZ1 LYS 100 3HZ LYS 100 23.685 8.060 14.600 748 HZ2 LYS 100 1HZ LYS 100 23.902 8.513 12.985 749 HZ3 LYS 100 2HZ LYS 100 23.395 6.944 13.362 750 H GLU 101 H GLU 101 15.828 10.881 10.516 751 HA GLU 101 HA GLU 101 13.684 10.106 10.476 752 HB2 GLU 101 2HB GLU 101 15.066 8.370 9.128 753 HB3 GLU 101 3HB GLU 101 14.806 7.321 10.515 754 HG2 GLU 101 2HG GLU 101 12.303 7.955 10.173 755 HG3 GLU 101 3HG GLU 101 12.836 8.381 8.547 756 H SER 102 H SER 102 14.928 10.480 13.095 757 HA SER 102 HA SER 102 12.885 9.372 14.706 758 HB2 SER 102 2HB SER 102 14.530 7.400 14.280 759 HB3 SER 102 3HB SER 102 15.578 8.244 15.420 760 HG SER 102 HG SER 102 13.469 8.255 16.729 761 H ASN 103 H ASN 103 13.938 11.929 14.239 762 HA ASN 103 HA ASN 103 15.582 12.648 16.513 763 HB2 ASN 103 2HB ASN 103 15.637 13.708 14.147 764 HB3 ASN 103 3HB ASN 103 14.225 14.612 14.685 765 HD21 ASN 103 1HD2 ASN 103 15.167 16.596 14.709 766 HD22 ASN 103 2HD2 ASN 103 16.428 17.043 15.802 767 H ALA 104 H ALA 104 14.908 13.544 18.378 768 HA ALA 104 HA ALA 104 13.530 14.258 20.043 769 HB1 ALA 104 1HB ALA 104 12.804 15.728 17.783 770 HB2 ALA 104 2HB ALA 104 11.284 15.191 18.500 771 HB3 ALA 104 3HB ALA 104 12.441 16.107 19.467 772 H LEU 105 H LEU 105 13.244 11.565 18.839 773 HA LEU 105 HA LEU 105 10.433 11.017 19.522 774 HB2 LEU 105 2HB LEU 105 11.694 10.347 17.251 775 HB3 LEU 105 3HB LEU 105 12.082 8.932 18.227 776 HG LEU 105 HG LEU 105 10.142 8.457 16.900 777 HD11 LEU 105 1HD1 LEU 105 10.272 7.716 19.323 778 HD12 LEU 105 2HD1 LEU 105 8.677 7.690 18.570 779 HD13 LEU 105 3HD1 LEU 105 9.112 8.999 19.669 780 HD21 LEU 105 3HD2 LEU 105 9.448 10.792 16.519 781 HD22 LEU 105 1HD2 LEU 105 8.852 10.865 18.177 782 HD23 LEU 105 2HD2 LEU 105 8.108 9.760 17.021 783 H ARG 106 H ARG 106 13.751 9.847 19.963 784 HA ARG 106 HA ARG 106 12.867 8.107 22.137 785 HB2 ARG 106 2HB ARG 106 14.399 7.123 20.533 786 HB3 ARG 106 3HB ARG 106 15.555 8.423 20.794 787 HG2 ARG 106 2HG ARG 106 16.336 7.530 22.711 788 HG3 ARG 106 3HG ARG 106 14.757 6.902 23.189 789 HD2 ARG 106 2HD ARG 106 14.985 4.992 21.863 790 HD3 ARG 106 3HD ARG 106 16.269 5.711 20.891 791 HE ARG 106 HE ARG 106 17.001 5.412 23.640 792 HH11 ARG 106 1HH1 ARG 106 16.747 3.762 20.585 793 HH12 ARG 106 2HH1 ARG 106 17.963 2.589 20.969 794 HH21 ARG 106 1HH2 ARG 106 18.604 3.873 24.157 795 HH22 ARG 106 2HH2 ARG 106 19.018 2.653 23.001 796 H PHE 107 H PHE 107 15.071 10.818 21.540 797 HA PHE 107 HA PHE 107 15.200 11.252 24.451 798 HB2 PHE 107 2HB PHE 107 17.214 12.076 22.349 799 HB3 PHE 107 3HB PHE 107 17.354 12.368 24.079 800 HD1 PHE 107 HD1 PHE 107 16.690 9.914 25.344 801 HD2 PHE 107 HD2 PHE 107 18.774 10.535 21.685 802 HE1 PHE 107 HE1 PHE 107 17.816 7.744 25.621 803 HE2 PHE 107 HE2 PHE 107 19.902 8.366 21.956 804 HZ PHE 107 HZ PHE 107 19.423 6.967 23.925 805 H GLU 108 H GLU 108 15.393 13.522 25.132 806 HA GLU 108 HA GLU 108 13.390 15.120 23.881 807 HB2 GLU 108 2HB GLU 108 14.778 15.076 26.376 808 HB3 GLU 108 3HB GLU 108 14.921 16.690 25.693 809 HG2 GLU 108 2HG GLU 108 12.896 17.142 26.444 810 HG3 GLU 108 3HG GLU 108 12.247 15.935 25.336 811 HA PRO 109 HA PRO 109 15.815 17.419 21.022 812 HB2 PRO 109 2HB PRO 109 14.298 19.664 20.853 813 HB3 PRO 109 3HB PRO 109 13.822 18.126 20.125 814 HG2 PRO 109 2HG PRO 109 12.942 19.351 22.711 815 HG3 PRO 109 3HG PRO 109 11.972 18.524 21.477 816 HD2 PRO 109 2HD PRO 109 12.769 17.307 23.761 817 HD3 PRO 109 3HD PRO 109 12.570 16.430 22.230 818 H THR 110 H THR 110 16.354 19.985 20.790 819 HA THR 110 HA THR 110 17.757 21.625 21.522 820 HB THR 110 HB THR 110 16.648 21.406 24.290 821 HG1 THR 110 HG1 THR 110 15.203 22.453 22.065 822 HG21 THR 110 3HG2 THR 110 17.076 23.646 24.414 823 HG22 THR 110 1HG2 THR 110 16.745 23.916 22.703 824 HG23 THR 110 2HG2 THR 110 18.280 23.206 23.203 Start of MODEL 14 1 H1 MET 1 H MET 1 0.724 2.667 -4.669 2 HA MET 1 HA MET 1 2.563 1.379 -5.664 3 HB2 MET 1 2HB MET 1 2.929 4.032 -6.951 4 HB3 MET 1 3HB MET 1 4.381 3.107 -6.595 5 HG2 MET 1 2HG MET 1 2.722 1.250 -7.764 6 HG3 MET 1 3HG MET 1 2.385 2.726 -8.666 7 HE1 MET 1 3HE MET 1 4.307 -0.052 -10.165 8 HE2 MET 1 1HE MET 1 2.959 1.060 -10.406 9 HE3 MET 1 2HE MET 1 4.479 1.318 -11.263 10 H LEU 2 H LEU 2 3.573 0.800 -3.862 11 HA LEU 2 HA LEU 2 4.522 2.863 -2.014 12 HB2 LEU 2 2HB LEU 2 4.482 1.260 -0.327 13 HB3 LEU 2 3HB LEU 2 3.059 0.899 -1.302 14 HG LEU 2 HG LEU 2 5.078 -0.701 -2.367 15 HD11 LEU 2 1HD1 LEU 2 5.945 -1.921 -0.451 16 HD12 LEU 2 2HD1 LEU 2 5.147 -0.795 0.646 17 HD13 LEU 2 3HD1 LEU 2 6.453 -0.232 -0.397 18 HD21 LEU 2 3HD2 LEU 2 3.659 -2.444 -1.815 19 HD22 LEU 2 1HD2 LEU 2 2.564 -1.061 -1.851 20 HD23 LEU 2 2HD2 LEU 2 3.145 -1.686 -0.307 21 H GLN 3 H GLN 3 6.620 2.355 -0.870 22 HA GLN 3 HA GLN 3 8.572 1.207 -2.753 23 HB2 GLN 3 2HB GLN 3 8.404 3.890 -1.714 24 HB3 GLN 3 3HB GLN 3 9.905 3.135 -1.196 25 HG2 GLN 3 2HG GLN 3 10.096 4.395 -3.314 26 HG3 GLN 3 3HG GLN 3 10.544 2.696 -3.455 27 HE21 GLN 3 1HE2 GLN 3 9.759 1.670 -5.140 28 HE22 GLN 3 2HE2 GLN 3 8.335 2.095 -6.022 29 H GLU 4 H GLU 4 10.611 0.517 -1.725 30 HA GLU 4 HA GLU 4 10.074 -1.099 0.560 31 HB2 GLU 4 2HB GLU 4 12.127 -0.881 -1.439 32 HB3 GLU 4 3HB GLU 4 12.866 -0.968 0.153 33 HG2 GLU 4 2HG GLU 4 11.972 -3.066 0.593 34 HG3 GLU 4 3HG GLU 4 10.739 -2.907 -0.656 35 H ARG 5 H ARG 5 11.819 1.911 0.015 36 HA ARG 5 HA ARG 5 12.909 2.056 2.653 37 HB2 ARG 5 2HB ARG 5 13.001 3.625 0.215 38 HB3 ARG 5 3HB ARG 5 12.817 4.653 1.630 39 HG2 ARG 5 2HG ARG 5 14.905 2.510 1.543 40 HG3 ARG 5 3HG ARG 5 15.183 4.094 0.817 41 HD2 ARG 5 2HD ARG 5 14.157 4.712 3.295 42 HD3 ARG 5 3HD ARG 5 15.154 3.294 3.619 43 HE ARG 5 HE ARG 5 16.061 5.921 2.885 44 HH11 ARG 5 1HH1 ARG 5 16.834 2.527 2.915 45 HH12 ARG 5 2HH1 ARG 5 18.547 2.783 2.866 46 HH21 ARG 5 1HH2 ARG 5 18.314 6.271 2.821 47 HH22 ARG 5 2HH2 ARG 5 19.388 4.913 2.814 48 H VAL 6 H VAL 6 12.422 3.998 4.069 49 HA VAL 6 HA VAL 6 9.507 4.429 4.188 50 HB VAL 6 HB VAL 6 11.407 4.274 6.531 51 HG11 VAL 6 1HG1 VAL 6 9.595 5.748 7.033 52 HG12 VAL 6 2HG1 VAL 6 8.418 4.618 6.360 53 HG13 VAL 6 3HG1 VAL 6 9.281 4.214 7.845 54 HG21 VAL 6 3HG2 VAL 6 11.221 2.071 5.763 55 HG22 VAL 6 1HG2 VAL 6 9.998 2.193 7.028 56 HG23 VAL 6 2HG2 VAL 6 9.522 2.269 5.331 57 H PHE 7 H PHE 7 8.758 6.468 4.607 58 HA PHE 7 HA PHE 7 10.787 8.601 4.633 59 HB2 PHE 7 2HB PHE 7 7.925 8.831 3.690 60 HB3 PHE 7 3HB PHE 7 9.211 10.017 3.491 61 HD1 PHE 7 HD1 PHE 7 11.443 8.554 2.485 62 HD2 PHE 7 HD2 PHE 7 7.306 8.026 1.634 63 HE1 PHE 7 HE1 PHE 7 12.021 7.563 0.308 64 HE2 PHE 7 HE2 PHE 7 7.878 7.034 -0.544 65 HZ PHE 7 HZ PHE 7 10.237 6.800 -1.209 66 H HIS 8 H HIS 8 10.890 9.889 6.351 67 HA HIS 8 HA HIS 8 8.547 10.073 8.121 68 HB2 HIS 8 2HB HIS 8 10.621 8.602 8.867 69 HB3 HIS 8 3HB HIS 8 11.288 10.174 9.302 70 HD1 HIS 8 HD1 HIS 8 11.190 9.367 11.809 71 HD2 HIS 8 HD2 HIS 8 7.503 9.776 9.937 72 HE1 HIS 8 HE1 HIS 8 9.490 9.361 13.663 73 H ILE 9 H ILE 9 8.760 11.963 9.670 74 HA ILE 9 HA ILE 9 8.890 14.350 8.285 75 HB ILE 9 HB ILE 9 7.743 14.225 10.401 76 HG12 ILE 9 2HG1 ILE 9 10.071 16.095 10.828 77 HG13 ILE 9 3HG1 ILE 9 8.834 16.397 9.613 78 HG21 ILE 9 1HG2 ILE 9 8.834 13.918 12.505 79 HG22 ILE 9 2HG2 ILE 9 9.337 12.609 11.437 80 HG23 ILE 9 3HG2 ILE 9 10.425 13.962 11.746 81 HD11 ILE 9 3HD1 ILE 9 7.692 15.814 12.207 82 HD12 ILE 9 1HD1 ILE 9 8.782 17.199 12.247 83 HD13 ILE 9 2HD1 ILE 9 7.418 17.182 11.128 84 H ASN 10 H ASN 10 11.406 12.747 10.180 85 HA ASN 10 HA ASN 10 13.303 14.836 10.045 86 HB2 ASN 10 2HB ASN 10 14.073 11.935 10.203 87 HB3 ASN 10 3HB ASN 10 14.831 13.323 10.977 88 HD21 ASN 10 1HD2 ASN 10 12.067 11.180 11.024 89 HD22 ASN 10 2HD2 ASN 10 11.625 11.474 12.668 90 H ASP 11 H ASP 11 12.862 11.907 8.081 91 HA ASP 11 HA ASP 11 13.765 11.268 6.082 92 HB2 ASP 11 2HB ASP 11 12.253 13.432 5.673 93 HB3 ASP 11 3HB ASP 11 13.799 14.095 5.149 94 H ARG 12 H ARG 12 15.829 10.649 6.736 95 HA ARG 12 HA ARG 12 17.970 12.556 6.926 96 HB2 ARG 12 2HB ARG 12 19.397 10.500 7.140 97 HB3 ARG 12 3HB ARG 12 18.110 10.630 8.331 98 HG2 ARG 12 2HG ARG 12 17.258 8.683 7.711 99 HG3 ARG 12 3HG ARG 12 17.188 9.191 6.022 100 HD2 ARG 12 2HD ARG 12 19.089 8.111 5.490 101 HD3 ARG 12 3HD ARG 12 19.878 8.550 7.005 102 HE ARG 12 HE ARG 12 19.262 6.523 7.853 103 HH11 ARG 12 1HH1 ARG 12 17.266 7.232 5.090 104 HH12 ARG 12 2HH1 ARG 12 16.495 5.681 5.085 105 HH21 ARG 12 1HH2 ARG 12 18.254 4.477 7.857 106 HH22 ARG 12 2HH2 ARG 12 17.057 4.115 6.660 107 H VAL 13 H VAL 13 18.555 13.550 5.090 108 HA VAL 13 HA VAL 13 19.547 11.893 2.904 109 HB VAL 13 HB VAL 13 18.453 13.470 1.238 110 HG11 VAL 13 1HG1 VAL 13 16.599 12.079 0.991 111 HG12 VAL 13 2HG1 VAL 13 17.752 11.077 1.873 112 HG13 VAL 13 3HG1 VAL 13 16.419 11.851 2.730 113 HG21 VAL 13 3HG2 VAL 13 16.648 14.807 1.851 114 HG22 VAL 13 1HG2 VAL 13 16.440 13.984 3.397 115 HG23 VAL 13 2HG2 VAL 13 17.806 15.073 3.155 116 H TRP 14 H TRP 14 20.568 13.419 1.177 117 HA TRP 14 HA TRP 14 22.041 15.530 2.613 118 HB2 TRP 14 2HB TRP 14 23.094 13.246 1.495 119 HB3 TRP 14 3HB TRP 14 23.340 14.439 0.222 120 HD1 TRP 14 HD1 TRP 14 23.667 15.013 4.039 121 HE1 TRP 14 HE1 TRP 14 26.054 15.852 4.514 122 HE3 TRP 14 HE3 TRP 14 25.606 14.658 -0.678 123 HZ2 TRP 14 HZ2 TRP 14 28.442 16.305 3.079 124 HZ3 TRP 14 HZ3 TRP 14 27.949 15.314 -1.042 125 HH2 TRP 14 HH2 TRP 14 29.336 16.121 0.798 126 H LEU 15 H LEU 15 22.071 17.525 1.759 127 HA LEU 15 HA LEU 15 20.894 17.877 -0.920 128 HB2 LEU 15 2HB LEU 15 19.622 18.705 1.159 129 HB3 LEU 15 3HB LEU 15 20.847 19.970 1.227 130 HG LEU 15 HG LEU 15 19.591 19.719 -1.397 131 HD11 LEU 15 1HD1 LEU 15 17.859 20.740 0.835 132 HD12 LEU 15 2HD1 LEU 15 17.724 19.100 0.202 133 HD13 LEU 15 3HD1 LEU 15 17.431 20.480 -0.856 134 HD21 LEU 15 3HD2 LEU 15 19.258 22.213 -0.864 135 HD22 LEU 15 1HD2 LEU 15 20.905 21.609 -1.049 136 HD23 LEU 15 2HD2 LEU 15 20.246 21.891 0.563 137 H LYS 16 H LYS 16 22.079 18.902 -2.402 138 HA LYS 16 HA LYS 16 24.652 20.027 -1.567 139 HB2 LYS 16 2HB LYS 16 24.824 18.328 -3.265 140 HB3 LYS 16 3HB LYS 16 23.619 19.133 -4.262 141 HG2 LYS 16 2HG LYS 16 25.773 19.548 -5.197 142 HG3 LYS 16 3HG LYS 16 25.178 21.053 -4.494 143 HD2 LYS 16 2HD LYS 16 27.517 20.752 -3.940 144 HD3 LYS 16 3HD LYS 16 26.534 20.616 -2.480 145 HE2 LYS 16 2HE LYS 16 28.338 18.903 -2.671 146 HE3 LYS 16 3HE LYS 16 26.717 18.234 -2.495 147 HZ1 LYS 16 3HZ LYS 16 26.685 17.507 -4.657 148 HZ2 LYS 16 1HZ LYS 16 28.320 17.291 -4.279 149 HZ3 LYS 16 2HZ LYS 16 27.832 18.632 -5.186 150 H THR 17 H THR 17 24.643 22.142 -1.201 151 HA THR 17 HA THR 17 22.696 23.958 -2.017 152 HB THR 17 HB THR 17 25.550 24.777 -1.513 153 HG1 THR 17 HG1 THR 17 24.704 24.810 0.777 154 HG21 THR 17 3HG2 THR 17 23.281 26.196 -0.287 155 HG22 THR 17 1HG2 THR 17 23.346 26.268 -2.047 156 HG23 THR 17 2HG2 THR 17 24.716 26.832 -1.090 157 H GLY 18 H GLY 18 25.777 23.091 -3.525 158 HA2 GLY 18 2HA GLY 18 25.996 23.097 -5.917 159 HA3 GLY 18 3HA GLY 18 24.839 24.419 -5.979 160 H ALA 19 H ALA 19 27.681 24.103 -3.894 161 HA ALA 19 HA ALA 19 29.446 25.674 -5.382 162 HB1 ALA 19 1HB ALA 19 27.600 27.196 -3.591 163 HB2 ALA 19 2HB ALA 19 29.250 27.762 -3.853 164 HB3 ALA 19 3HB ALA 19 28.151 27.582 -5.221 165 H ASN 20 H ASN 20 29.934 23.461 -4.017 166 HA ASN 20 HA ASN 20 31.383 22.530 -2.530 167 HB2 ASN 20 2HB ASN 20 32.283 25.278 -2.801 168 HB3 ASN 20 3HB ASN 20 32.625 24.643 -1.194 169 HD21 ASN 20 1HD2 ASN 20 33.668 22.472 -1.155 170 HD22 ASN 20 2HD2 ASN 20 34.875 22.150 -2.348 171 H THR 21 H THR 21 28.666 23.822 -1.776 172 HA THR 21 HA THR 21 29.030 23.558 1.137 173 HB THR 21 HB THR 21 26.671 25.076 0.226 174 HG1 THR 21 HG1 THR 21 28.271 26.981 0.169 175 HG21 THR 21 3HG2 THR 21 27.588 26.581 2.103 176 HG22 THR 21 1HG2 THR 21 28.713 25.261 2.419 177 HG23 THR 21 2HG2 THR 21 26.975 24.988 2.544 178 H TRP 22 H TRP 22 27.936 21.947 2.044 179 HA TRP 22 HA TRP 22 25.482 20.986 0.746 180 HB2 TRP 22 2HB TRP 22 26.275 18.639 1.492 181 HB3 TRP 22 3HB TRP 22 26.985 19.340 0.040 182 HD1 TRP 22 HD1 TRP 22 27.846 18.824 3.777 183 HE1 TRP 22 HE1 TRP 22 30.407 18.680 3.992 184 HE3 TRP 22 HE3 TRP 22 29.124 19.814 -1.073 185 HZ2 TRP 22 HZ2 TRP 22 32.669 18.951 2.325 186 HZ3 TRP 22 HZ3 TRP 22 31.508 19.853 -1.680 187 HH2 TRP 22 HH2 TRP 22 33.243 19.431 -0.014 188 H TRP 23 H TRP 23 23.825 20.850 2.108 189 HA TRP 23 HA TRP 23 24.376 20.475 4.973 190 HB2 TRP 23 2HB TRP 23 22.422 22.445 3.766 191 HB3 TRP 23 3HB TRP 23 22.551 22.079 5.484 192 HD1 TRP 23 HD1 TRP 23 25.760 22.113 5.667 193 HE1 TRP 23 HE1 TRP 23 26.984 24.373 5.543 194 HE3 TRP 23 HE3 TRP 23 22.122 24.880 3.379 195 HZ2 TRP 23 HZ2 TRP 23 26.474 26.985 4.599 196 HZ3 TRP 23 HZ3 TRP 23 22.569 27.252 2.901 197 HH2 TRP 23 HH2 TRP 23 24.701 28.281 3.500 198 HA PRO 24 HA PRO 24 21.291 17.353 4.880 199 HB2 PRO 24 2HB PRO 24 20.297 17.530 7.400 200 HB3 PRO 24 3HB PRO 24 21.894 16.864 7.042 201 HG2 PRO 24 2HG PRO 24 21.156 19.599 8.007 202 HG3 PRO 24 3HG PRO 24 22.482 18.548 8.534 203 HD2 PRO 24 2HD PRO 24 22.852 20.610 6.818 204 HD3 PRO 24 3HD PRO 24 23.816 19.121 6.743 205 H ALA 25 H ALA 25 19.193 17.130 4.308 206 HA ALA 25 HA ALA 25 17.402 19.429 4.761 207 HB1 ALA 25 1HB ALA 25 18.140 19.213 2.404 208 HB2 ALA 25 2HB ALA 25 17.389 17.617 2.351 209 HB3 ALA 25 3HB ALA 25 16.396 19.051 2.610 210 H LYS 26 H LYS 26 15.429 19.021 5.587 211 HA LYS 26 HA LYS 26 14.641 16.199 5.905 212 HB2 LYS 26 2HB LYS 26 13.660 16.773 8.063 213 HB3 LYS 26 3HB LYS 26 15.372 17.172 8.039 214 HG2 LYS 26 2HG LYS 26 14.672 19.106 8.928 215 HG3 LYS 26 3HG LYS 26 14.320 19.525 7.250 216 HD2 LYS 26 2HD LYS 26 12.109 19.532 7.608 217 HD3 LYS 26 3HD LYS 26 12.170 18.029 8.532 218 HE2 LYS 26 2HE LYS 26 13.238 19.569 10.367 219 HE3 LYS 26 3HE LYS 26 12.431 20.852 9.466 220 HZ1 LYS 26 3HZ LYS 26 10.431 19.164 9.670 221 HZ2 LYS 26 1HZ LYS 26 10.773 20.293 10.883 222 HZ3 LYS 26 2HZ LYS 26 11.281 18.689 11.054 223 H VAL 27 H VAL 27 12.637 15.655 5.273 224 HA VAL 27 HA VAL 27 10.975 17.737 4.090 225 HB VAL 27 HB VAL 27 10.497 14.758 4.043 226 HG11 VAL 27 1HG1 VAL 27 9.570 16.071 1.724 227 HG12 VAL 27 2HG1 VAL 27 8.618 15.304 2.996 228 HG13 VAL 27 3HG1 VAL 27 9.024 17.017 3.108 229 HG21 VAL 27 3HG2 VAL 27 12.407 14.674 2.859 230 HG22 VAL 27 1HG2 VAL 27 11.428 15.365 1.565 231 HG23 VAL 27 2HG2 VAL 27 12.426 16.414 2.574 232 H THR 28 H THR 28 9.336 18.612 5.153 233 HA THR 28 HA THR 28 8.418 17.464 7.644 234 HB THR 28 HB THR 28 8.707 19.856 7.593 235 HG1 THR 28 HG1 THR 28 6.969 19.172 8.864 236 HG21 THR 28 3HG2 THR 28 7.003 19.662 5.149 237 HG22 THR 28 1HG2 THR 28 8.469 20.602 5.425 238 HG23 THR 28 2HG2 THR 28 6.938 21.129 6.125 239 H SER 29 H SER 29 7.675 16.884 4.506 240 HA SER 29 HA SER 29 5.940 15.886 3.426 241 HB2 SER 29 2HB SER 29 5.436 15.164 6.285 242 HB3 SER 29 3HB SER 29 4.205 14.782 5.082 243 HG SER 29 HG SER 29 6.778 13.751 5.397 244 H VAL 30 H VAL 30 5.644 18.477 3.314 245 HA VAL 30 HA VAL 30 2.818 18.981 3.990 246 HB VAL 30 HB VAL 30 5.058 21.002 3.812 247 HG11 VAL 30 1HG1 VAL 30 3.426 22.432 3.279 248 HG12 VAL 30 2HG1 VAL 30 2.159 21.267 3.671 249 HG13 VAL 30 3HG1 VAL 30 2.885 22.246 4.947 250 HG21 VAL 30 3HG2 VAL 30 4.812 21.283 6.169 251 HG22 VAL 30 1HG2 VAL 30 3.399 20.228 6.205 252 HG23 VAL 30 2HG2 VAL 30 4.992 19.556 5.860 253 H THR 31 H THR 31 1.609 18.905 2.222 254 HA THR 31 HA THR 31 2.703 19.231 -0.407 255 HB THR 31 HB THR 31 0.892 17.647 -0.058 256 HG1 THR 31 HG1 THR 31 0.834 18.407 -2.111 257 HG21 THR 31 3HG2 THR 31 -1.191 19.711 0.239 258 HG22 THR 31 1HG2 THR 31 -0.176 19.449 1.656 259 HG23 THR 31 2HG2 THR 31 -1.077 18.104 0.956 260 H GLY 32 H GLY 32 1.690 20.720 -2.015 261 HA2 GLY 32 2HA GLY 32 1.095 23.331 -0.763 262 HA3 GLY 32 3HA GLY 32 2.102 23.166 -2.194 263 H VAL 33 H VAL 33 -0.979 21.591 -1.411 264 HA VAL 33 HA VAL 33 -2.370 23.195 -3.395 265 HB VAL 33 HB VAL 33 -2.113 20.199 -3.692 266 HG11 VAL 33 1HG1 VAL 33 -3.401 21.200 -5.923 267 HG12 VAL 33 2HG1 VAL 33 -4.149 20.308 -4.597 268 HG13 VAL 33 3HG1 VAL 33 -4.145 22.072 -4.583 269 HG21 VAL 33 3HG2 VAL 33 -1.127 20.760 -5.882 270 HG22 VAL 33 1HG2 VAL 33 -1.197 22.469 -5.455 271 HG23 VAL 33 2HG2 VAL 33 -0.167 21.372 -4.535 272 H GLU 34 H GLU 34 -3.018 19.992 -1.992 273 HA GLU 34 HA GLU 34 -4.679 20.821 0.092 274 HB2 GLU 34 2HB GLU 34 -6.901 20.165 -0.962 275 HB3 GLU 34 3HB GLU 34 -6.234 21.720 -1.438 276 HG2 GLU 34 2HG GLU 34 -6.023 21.115 -3.575 277 HG3 GLU 34 3HG GLU 34 -5.420 19.510 -3.163 278 H GLY 35 H GLY 35 -2.729 18.805 -0.543 279 HA2 GLY 35 2HA GLY 35 -2.498 16.680 0.459 280 HA3 GLY 35 3HA GLY 35 -4.242 16.477 0.376 281 H VAL 36 H VAL 36 -2.030 17.393 -2.230 282 HA VAL 36 HA VAL 36 -3.064 15.171 -3.816 283 HB VAL 36 HB VAL 36 -1.208 17.370 -4.724 284 HG11 VAL 36 1HG1 VAL 36 -3.051 15.563 -6.284 285 HG12 VAL 36 2HG1 VAL 36 -1.954 16.775 -6.948 286 HG13 VAL 36 3HG1 VAL 36 -1.307 15.350 -6.135 287 HG21 VAL 36 3HG2 VAL 36 -3.188 18.513 -5.584 288 HG22 VAL 36 1HG2 VAL 36 -4.220 17.275 -4.867 289 HG23 VAL 36 2HG2 VAL 36 -3.269 18.339 -3.831 290 H ASP 37 H ASP 37 -0.207 16.170 -2.151 291 HA ASP 37 HA ASP 37 1.770 14.750 -3.496 292 HB2 ASP 37 2HB ASP 37 2.365 16.309 -1.761 293 HB3 ASP 37 3HB ASP 37 1.484 15.377 -0.554 294 H GLY 38 H GLY 38 -0.797 13.624 -1.465 295 HA2 GLY 38 2HA GLY 38 0.422 11.001 -1.100 296 HA3 GLY 38 3HA GLY 38 -1.119 11.535 -0.445 297 H ARG 39 H ARG 39 -1.632 12.554 -3.339 298 HA ARG 39 HA ARG 39 -2.826 10.037 -4.228 299 HB2 ARG 39 2HB ARG 39 -3.290 12.884 -5.137 300 HB3 ARG 39 3HB ARG 39 -4.140 11.477 -5.763 301 HG2 ARG 39 2HG ARG 39 -5.098 11.051 -3.575 302 HG3 ARG 39 3HG ARG 39 -4.198 12.411 -2.901 303 HD2 ARG 39 2HD ARG 39 -5.975 13.667 -3.377 304 HD3 ARG 39 3HD ARG 39 -5.520 13.500 -5.072 305 HE ARG 39 HE ARG 39 -7.040 11.270 -4.364 306 HH11 ARG 39 1HH1 ARG 39 -7.423 14.711 -4.727 307 HH12 ARG 39 2HH1 ARG 39 -9.100 14.612 -5.148 308 HH21 ARG 39 1HH2 ARG 39 -9.249 11.126 -4.917 309 HH22 ARG 39 2HH2 ARG 39 -10.138 12.572 -5.255 310 H SER 40 H SER 40 -1.641 12.803 -6.114 311 HA SER 40 HA SER 40 0.582 11.594 -7.273 312 HB2 SER 40 2HB SER 40 -0.452 11.117 -9.572 313 HB3 SER 40 3HB SER 40 -0.757 9.935 -8.299 314 HG SER 40 HG SER 40 -2.768 11.167 -7.945 315 H SER 41 H SER 41 1.675 13.022 -8.543 316 HA SER 41 HA SER 41 0.943 15.721 -8.501 317 HB2 SER 41 2HB SER 41 2.817 14.753 -10.615 318 HB3 SER 41 3HB SER 41 2.964 16.136 -9.531 319 HG SER 41 HG SER 41 4.260 14.023 -9.212 320 H GLU 42 H GLU 42 0.052 13.199 -10.644 321 HA GLU 42 HA GLU 42 -0.434 14.602 -13.010 322 HB2 GLU 42 2HB GLU 42 -2.088 12.799 -13.497 323 HB3 GLU 42 3HB GLU 42 -0.512 12.201 -12.997 324 HG2 GLU 42 2HG GLU 42 -1.413 11.071 -11.327 325 HG3 GLU 42 3HG GLU 42 -2.189 12.525 -10.702 326 H THR 43 H THR 43 -2.286 14.368 -10.053 327 HA THR 43 HA THR 43 -4.779 15.228 -10.854 328 HB THR 43 HB THR 43 -3.517 16.258 -8.322 329 HG1 THR 43 HG1 THR 43 -4.129 14.193 -7.422 330 HG21 THR 43 3HG2 THR 43 -5.669 17.039 -8.329 331 HG22 THR 43 1HG2 THR 43 -5.939 15.457 -7.601 332 HG23 THR 43 2HG2 THR 43 -6.267 15.706 -9.316 333 H GLY 44 H GLY 44 -2.371 17.420 -9.386 334 HA2 GLY 44 2HA GLY 44 -3.063 19.447 -11.390 335 HA3 GLY 44 3HA GLY 44 -3.302 19.844 -9.695 336 H THR 45 H THR 45 -1.400 19.760 -8.286 337 HA THR 45 HA THR 45 1.204 19.798 -9.542 338 HB THR 45 HB THR 45 1.595 22.139 -8.399 339 HG1 THR 45 HG1 THR 45 -0.240 23.436 -8.456 340 HG21 THR 45 3HG2 THR 45 0.106 22.538 -10.898 341 HG22 THR 45 1HG2 THR 45 1.342 21.284 -10.976 342 HG23 THR 45 2HG2 THR 45 1.780 22.925 -10.502 343 H SER 46 H SER 46 0.967 17.965 -7.904 344 HA SER 46 HA SER 46 0.950 18.519 -5.134 345 HB2 SER 46 2HB SER 46 1.636 16.224 -4.834 346 HB3 SER 46 3HB SER 46 0.479 16.282 -6.163 347 HG SER 46 HG SER 46 2.898 15.278 -6.211 348 H THR 47 H THR 47 2.403 19.860 -4.265 349 HA THR 47 HA THR 47 5.249 19.399 -4.884 350 HB THR 47 HB THR 47 5.726 21.709 -4.570 351 HG1 THR 47 HG1 THR 47 3.008 21.982 -3.747 352 HG21 THR 47 3HG2 THR 47 3.172 22.039 -6.045 353 HG22 THR 47 1HG2 THR 47 4.320 20.857 -6.672 354 HG23 THR 47 2HG2 THR 47 4.804 22.542 -6.483 355 H VAL 48 H VAL 48 6.482 18.775 -3.237 356 HA VAL 48 HA VAL 48 5.366 18.867 -0.533 357 HB VAL 48 HB VAL 48 7.793 17.385 -1.555 358 HG11 VAL 48 1HG1 VAL 48 6.540 17.677 1.121 359 HG12 VAL 48 2HG1 VAL 48 7.179 16.093 0.676 360 HG13 VAL 48 3HG1 VAL 48 8.238 17.504 0.678 361 HG21 VAL 48 3HG2 VAL 48 6.361 15.904 -2.389 362 HG22 VAL 48 1HG2 VAL 48 5.782 15.602 -0.750 363 HG23 VAL 48 2HG2 VAL 48 4.987 16.812 -1.758 364 H THR 49 H THR 49 5.877 20.592 0.636 365 HA THR 49 HA THR 49 8.310 22.082 0.124 366 HB THR 49 HB THR 49 6.285 22.621 2.296 367 HG1 THR 49 HG1 THR 49 5.422 24.116 0.660 368 HG21 THR 49 3HG2 THR 49 7.529 24.413 2.745 369 HG22 THR 49 1HG2 THR 49 7.457 24.928 1.060 370 HG23 THR 49 2HG2 THR 49 8.730 23.830 1.593 371 H VAL 50 H VAL 50 10.163 21.768 1.156 372 HA VAL 50 HA VAL 50 10.105 20.380 3.757 373 HB VAL 50 HB VAL 50 12.181 19.336 3.270 374 HG11 VAL 50 1HG1 VAL 50 10.709 19.154 0.658 375 HG12 VAL 50 2HG1 VAL 50 11.604 17.894 1.509 376 HG13 VAL 50 3HG1 VAL 50 10.063 18.467 2.147 377 HG21 VAL 50 3HG2 VAL 50 13.157 19.801 0.876 378 HG22 VAL 50 1HG2 VAL 50 12.322 21.342 1.072 379 HG23 VAL 50 2HG2 VAL 50 13.556 20.854 2.233 380 H LEU 51 H LEU 51 11.562 21.051 5.362 381 HA LEU 51 HA LEU 51 13.005 23.557 4.863 382 HB2 LEU 51 2HB LEU 51 10.628 23.634 6.081 383 HB3 LEU 51 3HB LEU 51 11.641 23.273 7.477 384 HG LEU 51 HG LEU 51 12.510 25.524 5.766 385 HD11 LEU 51 1HD1 LEU 51 9.979 25.675 5.961 386 HD12 LEU 51 2HD1 LEU 51 10.910 27.064 6.523 387 HD13 LEU 51 3HD1 LEU 51 10.238 25.923 7.688 388 HD21 LEU 51 3HD2 LEU 51 12.182 25.551 8.732 389 HD22 LEU 51 1HD2 LEU 51 13.399 26.336 7.726 390 HD23 LEU 51 2HD2 LEU 51 13.478 24.597 8.008 391 H THR 52 H THR 52 15.063 23.073 5.236 392 HA THR 52 HA THR 52 15.950 20.927 6.838 393 HB THR 52 HB THR 52 18.155 21.631 6.390 394 HG1 THR 52 HG1 THR 52 18.643 23.672 6.583 395 HG21 THR 52 3HG2 THR 52 16.332 21.388 4.355 396 HG22 THR 52 1HG2 THR 52 18.083 21.439 4.153 397 HG23 THR 52 2HG2 THR 52 17.130 22.911 3.967 398 H TYR 53 H TYR 53 17.975 21.772 8.409 399 HA TYR 53 HA TYR 53 16.546 23.146 10.572 400 HB2 TYR 53 2HB TYR 53 18.437 20.934 10.452 401 HB3 TYR 53 3HB TYR 53 18.917 22.152 11.628 402 HD1 TYR 53 HD1 TYR 53 15.937 20.162 10.582 403 HD2 TYR 53 HD2 TYR 53 18.020 22.069 13.763 404 HE1 TYR 53 HE1 TYR 53 14.318 19.239 12.187 405 HE2 TYR 53 HE2 TYR 53 16.407 21.151 15.378 406 HH TYR 53 HH TYR 53 14.143 18.722 14.535 407 HA PRO 54 HA PRO 54 19.068 26.733 10.267 408 HB2 PRO 54 2HB PRO 54 18.970 27.589 12.842 409 HB3 PRO 54 3HB PRO 54 17.598 27.716 11.735 410 HG2 PRO 54 2HG PRO 54 18.139 25.670 13.852 411 HG3 PRO 54 3HG PRO 54 16.619 26.493 13.453 412 HD2 PRO 54 2HD PRO 54 17.172 23.973 12.630 413 HD3 PRO 54 3HD PRO 54 16.185 25.095 11.672 414 H GLY 55 H GLY 55 21.201 27.145 10.311 415 HA2 GLY 55 2HA GLY 55 22.903 25.362 11.889 416 HA3 GLY 55 3HA GLY 55 23.420 26.362 10.540 417 H THR 56 H THR 56 25.072 27.459 11.472 418 HA THR 56 HA THR 56 24.546 28.889 13.981 419 HB THR 56 HB THR 56 26.563 27.536 14.016 420 HG1 THR 56 HG1 THR 56 26.900 29.327 15.211 421 HG21 THR 56 3HG2 THR 56 27.013 27.513 11.600 422 HG22 THR 56 1HG2 THR 56 28.440 27.987 12.522 423 HG23 THR 56 2HG2 THR 56 27.489 29.210 11.678 424 H GLN 57 H GLN 57 25.472 29.365 10.624 425 HA GLN 57 HA GLN 57 25.203 32.272 11.024 426 HB2 GLN 57 2HB GLN 57 27.289 30.729 9.766 427 HB3 GLN 57 3HB GLN 57 26.560 31.828 8.602 428 HG2 GLN 57 2HG GLN 57 26.949 33.291 10.977 429 HG3 GLN 57 3HG GLN 57 28.431 32.385 10.676 430 HE21 GLN 57 1HE2 GLN 57 29.623 34.190 10.150 431 HE22 GLN 57 2HE2 GLN 57 29.383 35.077 8.686 432 H ASN 58 H ASN 58 24.300 29.485 9.150 433 HA ASN 58 HA ASN 58 22.626 31.166 7.413 434 HB2 ASN 58 2HB ASN 58 24.331 29.108 6.747 435 HB3 ASN 58 3HB ASN 58 22.761 28.310 6.770 436 HD21 ASN 58 1HD2 ASN 58 24.815 30.513 5.142 437 HD22 ASN 58 2HD2 ASN 58 23.773 30.842 3.803 438 H LYS 59 H LYS 59 20.431 30.809 7.230 439 HA LYS 59 HA LYS 59 19.253 29.198 9.386 440 HB2 LYS 59 2HB LYS 59 18.817 31.811 8.778 441 HB3 LYS 59 3HB LYS 59 17.523 31.044 7.865 442 HG2 LYS 59 2HG LYS 59 16.558 31.537 9.922 443 HG3 LYS 59 3HG LYS 59 16.961 29.822 10.040 444 HD2 LYS 59 2HD LYS 59 19.127 30.556 11.140 445 HD3 LYS 59 3HD LYS 59 18.407 32.164 11.258 446 HE2 LYS 59 2HE LYS 59 16.575 31.273 12.575 447 HE3 LYS 59 3HE LYS 59 17.210 29.638 12.395 448 HZ1 LYS 59 3HZ LYS 59 17.735 31.233 14.475 449 HZ2 LYS 59 1HZ LYS 59 19.072 31.564 13.492 450 HZ3 LYS 59 2HZ LYS 59 18.748 29.975 13.972 451 H ALA 60 H ALA 60 17.356 27.941 8.956 452 HA ALA 60 HA ALA 60 17.538 26.383 6.611 453 HB1 ALA 60 1HB ALA 60 16.687 25.433 8.655 454 HB2 ALA 60 2HB ALA 60 15.334 26.565 8.660 455 HB3 ALA 60 3HB ALA 60 15.446 25.330 7.406 456 H THR 61 H THR 61 16.403 26.386 4.729 457 HA THR 61 HA THR 61 14.660 28.711 4.264 458 HB THR 61 HB THR 61 15.398 27.384 1.825 459 HG1 THR 61 HG1 THR 61 17.253 26.684 2.926 460 HG21 THR 61 3HG2 THR 61 16.351 30.058 2.830 461 HG22 THR 61 1HG2 THR 61 14.706 29.792 2.254 462 HG23 THR 61 2HG2 THR 61 16.072 29.554 1.163 463 H TYR 62 H TYR 62 12.847 28.408 2.773 464 HA TYR 62 HA TYR 62 11.725 25.688 2.953 465 HB2 TYR 62 2HB TYR 62 9.500 26.723 3.096 466 HB3 TYR 62 3HB TYR 62 10.536 27.245 4.419 467 HD1 TYR 62 HD1 TYR 62 11.537 29.535 4.362 468 HD2 TYR 62 HD2 TYR 62 8.601 28.283 1.549 469 HE1 TYR 62 HE1 TYR 62 11.095 31.885 3.787 470 HE2 TYR 62 HE2 TYR 62 8.151 30.629 0.965 471 HH TYR 62 HH TYR 62 10.174 33.157 1.820 472 H LYS 63 H LYS 63 11.374 24.731 1.072 473 HA LYS 63 HA LYS 63 10.627 26.343 -1.255 474 HB2 LYS 63 2HB LYS 63 13.156 25.793 -1.151 475 HB3 LYS 63 3HB LYS 63 12.663 24.150 -1.542 476 HG2 LYS 63 2HG LYS 63 12.259 24.651 -3.684 477 HG3 LYS 63 3HG LYS 63 11.503 26.195 -3.284 478 HD2 LYS 63 2HD LYS 63 13.536 27.324 -3.255 479 HD3 LYS 63 3HD LYS 63 14.467 25.841 -3.027 480 HE2 LYS 63 2HE LYS 63 14.512 25.377 -5.238 481 HE3 LYS 63 3HE LYS 63 12.882 25.992 -5.508 482 HZ1 LYS 63 3HZ LYS 63 13.640 28.134 -5.773 483 HZ2 LYS 63 1HZ LYS 63 14.894 27.251 -6.486 484 HZ3 LYS 63 2HZ LYS 63 15.076 27.865 -4.921 485 H ASN 64 H ASN 64 9.183 25.378 -2.603 486 HA ASN 64 HA ASN 64 8.166 22.766 -1.749 487 HB2 ASN 64 2HB ASN 64 6.184 23.404 -3.194 488 HB3 ASN 64 3HB ASN 64 6.451 24.419 -1.779 489 HD21 ASN 64 1HD2 ASN 64 7.304 26.507 -2.063 490 HD22 ASN 64 2HD2 ASN 64 7.197 27.319 -3.585 491 H VAL 65 H VAL 65 8.661 21.021 -2.885 492 HA VAL 65 HA VAL 65 8.862 21.163 -5.785 493 HB VAL 65 HB VAL 65 11.010 19.921 -5.815 494 HG11 VAL 65 1HG1 VAL 65 10.887 22.376 -6.144 495 HG12 VAL 65 2HG1 VAL 65 11.220 22.588 -4.424 496 HG13 VAL 65 3HG1 VAL 65 12.425 21.837 -5.471 497 HG21 VAL 65 3HG2 VAL 65 12.401 20.193 -3.672 498 HG22 VAL 65 1HG2 VAL 65 10.851 20.423 -2.863 499 HG23 VAL 65 2HG2 VAL 65 11.186 18.916 -3.714 500 H ASP 66 H ASP 66 8.776 19.087 -6.814 501 HA ASP 66 HA ASP 66 6.936 17.320 -5.725 502 HB2 ASP 66 2HB ASP 66 7.222 17.270 -8.070 503 HB3 ASP 66 3HB ASP 66 8.958 17.005 -7.935 504 H SER 67 H SER 67 10.439 17.318 -5.533 505 HA SER 67 HA SER 67 10.541 15.792 -3.196 506 HB2 SER 67 2HB SER 67 10.211 14.208 -5.556 507 HB3 SER 67 3HB SER 67 11.828 13.925 -4.911 508 HG SER 67 HG SER 67 9.552 12.938 -4.031 509 H HIS 68 H HIS 68 12.167 16.667 -6.194 510 HA HIS 68 HA HIS 68 14.234 17.516 -6.620 511 HB2 HIS 68 2HB HIS 68 13.488 18.577 -4.126 512 HB3 HIS 68 3HB HIS 68 15.156 18.044 -3.935 513 HD1 HIS 68 HD1 HIS 68 14.147 21.062 -4.037 514 HD2 HIS 68 HD2 HIS 68 15.939 18.952 -7.135 515 HE1 HIS 68 HE1 HIS 68 15.144 22.806 -5.551 516 H SER 69 H SER 69 13.815 14.671 -5.882 517 HA SER 69 HA SER 69 15.991 13.710 -4.375 518 HB2 SER 69 2HB SER 69 13.942 12.393 -4.957 519 HB3 SER 69 3HB SER 69 14.547 12.265 -6.609 520 HG SER 69 HG SER 69 15.303 10.907 -4.353 521 H SER 70 H SER 70 15.843 15.056 -7.491 522 HA SER 70 HA SER 70 18.177 13.691 -8.520 523 HB2 SER 70 2HB SER 70 16.124 15.483 -9.575 524 HB3 SER 70 3HB SER 70 17.739 15.878 -10.161 525 HG SER 70 HG SER 70 16.392 13.389 -10.348 526 H ALA 71 H ALA 71 17.660 16.172 -6.368 527 HA ALA 71 HA ALA 71 20.284 17.378 -6.962 528 HB1 ALA 71 1HB ALA 71 18.079 18.787 -7.051 529 HB2 ALA 71 2HB ALA 71 18.264 18.803 -5.296 530 HB3 ALA 71 3HB ALA 71 19.541 19.455 -6.324 531 H ILE 72 H ILE 72 18.390 15.646 -4.706 532 HA ILE 72 HA ILE 72 20.482 16.000 -2.659 533 HB ILE 72 HB ILE 72 18.739 15.413 -0.969 534 HG12 ILE 72 2HG1 ILE 72 16.520 16.232 -2.692 535 HG13 ILE 72 3HG1 ILE 72 17.237 14.698 -3.174 536 HG21 ILE 72 1HG2 ILE 72 19.130 17.874 -2.368 537 HG22 ILE 72 2HG2 ILE 72 17.455 17.765 -1.831 538 HG23 ILE 72 3HG2 ILE 72 18.767 17.610 -0.663 539 HD11 ILE 72 3HD1 ILE 72 15.877 15.423 -0.616 540 HD12 ILE 72 1HD1 ILE 72 15.557 14.079 -1.712 541 HD13 ILE 72 2HD1 ILE 72 16.997 14.063 -0.694 542 H THR 73 H THR 73 21.362 14.200 -1.765 543 HA THR 73 HA THR 73 20.701 11.658 -3.036 544 HB THR 73 HB THR 73 22.801 11.068 -1.416 545 HG1 THR 73 HG1 THR 73 24.200 13.037 -1.895 546 HG21 THR 73 3HG2 THR 73 23.332 12.415 -4.037 547 HG22 THR 73 1HG2 THR 73 22.423 10.905 -3.985 548 HG23 THR 73 2HG2 THR 73 24.070 10.965 -3.357 549 H PHE 74 H PHE 74 21.057 9.693 -1.485 550 HA PHE 74 HA PHE 74 19.411 10.174 0.910 551 HB2 PHE 74 2HB PHE 74 19.143 8.288 -1.242 552 HB3 PHE 74 3HB PHE 74 19.371 7.422 0.274 553 HD1 PHE 74 HD2 PHE 74 17.904 8.323 2.274 554 HD2 PHE 74 HD1 PHE 74 17.014 8.889 -1.849 555 HE1 PHE 74 HE2 PHE 74 15.537 8.688 2.838 556 HE2 PHE 74 HE1 PHE 74 14.646 9.255 -1.292 557 HZ PHE 74 HZ PHE 74 13.904 9.153 1.054 558 H PHE 75 H PHE 75 21.290 10.628 2.168 559 HA PHE 75 HA PHE 75 22.278 8.455 3.615 560 HB2 PHE 75 2HB PHE 75 23.575 8.569 1.210 561 HB3 PHE 75 3HB PHE 75 24.641 9.529 2.230 562 HD1 PHE 75 HD2 PHE 75 22.701 6.351 2.535 563 HD2 PHE 75 HD1 PHE 75 26.390 8.383 3.149 564 HE1 PHE 75 HE2 PHE 75 23.684 4.286 3.443 565 HE2 PHE 75 HE1 PHE 75 27.379 6.321 4.057 566 HZ PHE 75 HZ PHE 75 26.025 4.269 4.206 567 H GLU 76 H GLU 76 24.663 9.335 4.582 568 HA GLU 76 HA GLU 76 24.126 12.094 5.458 569 HB2 GLU 76 2HB GLU 76 24.756 9.665 7.103 570 HB3 GLU 76 3HB GLU 76 25.192 11.267 7.682 571 HG2 GLU 76 2HG GLU 76 22.900 11.967 7.649 572 HG3 GLU 76 3HG GLU 76 22.407 10.455 6.889 573 HA PRO 77 HA PRO 77 28.308 13.015 4.501 574 HB2 PRO 77 2HB PRO 77 28.887 14.881 6.387 575 HB3 PRO 77 3HB PRO 77 27.820 15.201 5.014 576 HG2 PRO 77 2HG PRO 77 27.114 14.518 7.841 577 HG3 PRO 77 3HG PRO 77 26.391 15.732 6.769 578 HD2 PRO 77 2HD PRO 77 25.251 13.316 7.215 579 HD3 PRO 77 3HD PRO 77 25.102 14.171 5.666 580 H SER 78 H SER 78 30.509 13.398 5.686 581 HA SER 78 HA SER 78 30.852 11.157 7.554 582 HB2 SER 78 2HB SER 78 33.340 12.240 6.572 583 HB3 SER 78 3HB SER 78 32.676 10.619 6.367 584 HG SER 78 HG SER 78 31.281 11.855 4.716 585 H SER 79 H SER 79 30.845 14.534 7.400 586 HA SER 79 HA SER 79 31.196 16.128 8.995 587 HB2 SER 79 2HB SER 79 32.108 13.986 10.909 588 HB3 SER 79 3HB SER 79 31.344 15.532 11.275 589 HG SER 79 HG SER 79 30.211 13.125 10.550 590 H GLU 80 H GLU 80 33.662 13.716 9.884 591 HA GLU 80 HA GLU 80 35.733 15.590 10.150 592 HB2 GLU 80 2HB GLU 80 35.433 12.934 10.730 593 HB3 GLU 80 3HB GLU 80 36.564 12.875 9.386 594 HG2 GLU 80 2HG GLU 80 38.081 14.354 10.563 595 HG3 GLU 80 3HG GLU 80 36.935 14.496 11.895 596 H LYS 81 H LYS 81 34.460 13.932 7.385 597 HA LYS 81 HA LYS 81 36.743 14.491 5.704 598 HB2 LYS 81 2HB LYS 81 33.990 13.416 5.075 599 HB3 LYS 81 3HB LYS 81 35.274 13.596 3.887 600 HG2 LYS 81 2HG LYS 81 35.524 11.915 6.369 601 HG3 LYS 81 3HG LYS 81 34.995 11.291 4.804 602 HD2 LYS 81 2HD LYS 81 37.192 10.869 4.519 603 HD3 LYS 81 3HD LYS 81 37.262 12.579 4.085 604 HE2 LYS 81 2HE LYS 81 38.897 12.579 5.654 605 HE3 LYS 81 3HE LYS 81 37.521 12.809 6.731 606 HZ1 LYS 81 3HZ LYS 81 38.830 10.217 6.108 607 HZ2 LYS 81 1HZ LYS 81 37.480 10.412 7.109 608 HZ3 LYS 81 2HZ LYS 81 38.969 11.079 7.557 609 H ALA 82 H ALA 82 34.022 16.190 6.773 610 HA ALA 82 HA ALA 82 34.128 18.029 4.479 611 HB1 ALA 82 1HB ALA 82 31.909 17.614 4.619 612 HB2 ALA 82 2HB ALA 82 31.979 17.212 6.336 613 HB3 ALA 82 3HB ALA 82 31.985 18.900 5.825 614 H VAL 83 H VAL 83 35.011 17.676 7.744 615 HA VAL 83 HA VAL 83 34.847 20.342 8.644 616 HB VAL 83 HB VAL 83 35.228 18.362 10.117 617 HG11 VAL 83 1HG1 VAL 83 37.269 17.764 8.410 618 HG12 VAL 83 2HG1 VAL 83 38.136 18.454 9.784 619 HG13 VAL 83 3HG1 VAL 83 37.061 17.075 10.020 620 HG21 VAL 83 3HG2 VAL 83 37.213 20.623 10.344 621 HG22 VAL 83 1HG2 VAL 83 35.567 20.598 10.978 622 HG23 VAL 83 2HG2 VAL 83 36.787 19.513 11.646 623 H THR 84 H THR 84 36.087 22.080 8.304 624 HA THR 84 HA THR 84 38.832 21.900 7.494 625 HB THR 84 HB THR 84 36.811 22.917 5.487 626 HG1 THR 84 HG1 THR 84 36.969 20.830 5.018 627 HG21 THR 84 3HG2 THR 84 39.232 22.931 4.230 628 HG22 THR 84 1HG2 THR 84 39.672 23.462 5.853 629 HG23 THR 84 2HG2 THR 84 38.457 24.350 4.933 630 H ALA 85 H ALA 85 36.074 24.150 7.193 631 HA ALA 85 HA ALA 85 36.842 25.863 9.253 632 HB1 ALA 85 1HB ALA 85 37.628 27.796 7.740 633 HB2 ALA 85 2HB ALA 85 38.784 26.534 8.165 634 HB3 ALA 85 3HB ALA 85 38.015 26.527 6.578 635 H ASN 86 H ASN 86 34.494 24.742 7.996 636 HA ASN 86 HA ASN 86 33.096 27.156 7.069 637 HB2 ASN 86 2HB ASN 86 32.478 24.219 6.744 638 HB3 ASN 86 3HB ASN 86 31.315 25.484 6.357 639 HD21 ASN 86 1HD2 ASN 86 31.397 26.399 4.417 640 HD22 ASN 86 2HD2 ASN 86 32.660 26.174 3.259 641 H GLU 87 H GLU 87 32.378 28.197 8.845 642 HA GLU 87 HA GLU 87 31.635 27.092 11.277 643 HB2 GLU 87 2HB GLU 87 30.341 29.211 11.621 644 HB3 GLU 87 3HB GLU 87 32.009 29.448 11.117 645 HG2 GLU 87 2HG GLU 87 31.134 29.688 8.764 646 HG3 GLU 87 3HG GLU 87 29.519 29.753 9.468 647 H ASP 88 H ASP 88 29.587 27.899 8.490 648 HA ASP 88 HA ASP 88 27.147 27.099 9.649 649 HB2 ASP 88 2HB ASP 88 26.409 26.898 7.207 650 HB3 ASP 88 3HB ASP 88 26.996 28.473 7.736 651 H LEU 89 H LEU 89 29.515 25.360 7.678 652 HA LEU 89 HA LEU 89 28.073 22.988 7.326 653 HB2 LEU 89 2HB LEU 89 30.252 23.735 6.227 654 HB3 LEU 89 3HB LEU 89 31.056 23.110 7.665 655 HG LEU 89 HG LEU 89 30.231 20.873 7.176 656 HD11 LEU 89 1HD1 LEU 89 28.479 22.317 5.397 657 HD12 LEU 89 2HD1 LEU 89 28.369 20.659 5.986 658 HD13 LEU 89 3HD1 LEU 89 29.326 21.023 4.550 659 HD21 LEU 89 3HD2 LEU 89 31.382 20.635 4.874 660 HD22 LEU 89 1HD2 LEU 89 32.331 21.204 6.248 661 HD23 LEU 89 2HD2 LEU 89 31.734 22.355 5.053 662 H LEU 90 H LEU 90 30.064 24.117 9.990 663 HA LEU 90 HA LEU 90 30.328 21.714 11.397 664 HB2 LEU 90 2HB LEU 90 31.645 23.596 12.021 665 HB3 LEU 90 3HB LEU 90 30.212 24.574 12.327 666 HG LEU 90 HG LEU 90 29.698 23.259 14.298 667 HD11 LEU 90 1HD1 LEU 90 30.370 21.088 13.900 668 HD12 LEU 90 2HD1 LEU 90 31.596 21.647 15.037 669 HD13 LEU 90 3HD1 LEU 90 31.961 21.575 13.314 670 HD21 LEU 90 3HD2 LEU 90 31.851 23.739 15.596 671 HD22 LEU 90 1HD2 LEU 90 31.052 25.098 14.803 672 HD23 LEU 90 2HD2 LEU 90 32.480 24.365 14.070 673 H GLN 91 H GLN 91 27.875 24.274 11.724 674 HA GLN 91 HA GLN 91 26.359 22.953 13.704 675 HB2 GLN 91 2HB GLN 91 26.289 25.431 12.432 676 HB3 GLN 91 3HB GLN 91 24.767 24.670 11.986 677 HG2 GLN 91 2HG GLN 91 24.652 26.070 14.030 678 HG3 GLN 91 3HG GLN 91 24.147 24.398 14.268 679 HE21 GLN 91 1HE2 GLN 91 27.393 25.779 14.083 680 HE22 GLN 91 2HE2 GLN 91 27.883 25.293 15.667 681 H ALA 92 H ALA 92 26.200 22.962 10.182 682 HA ALA 92 HA ALA 92 23.769 21.587 9.891 683 HB1 ALA 92 1HB ALA 92 25.231 20.815 7.706 684 HB2 ALA 92 2HB ALA 92 24.287 22.300 7.837 685 HB3 ALA 92 3HB ALA 92 26.016 22.321 8.183 686 H ILE 93 H ILE 93 27.081 20.436 10.296 687 HA ILE 93 HA ILE 93 26.646 17.723 9.763 688 HB ILE 93 HB ILE 93 28.649 19.061 11.577 689 HG12 ILE 93 2HG1 ILE 93 29.314 17.669 9.020 690 HG13 ILE 93 3HG1 ILE 93 28.552 19.253 8.934 691 HG21 ILE 93 1HG2 ILE 93 29.881 16.884 11.445 692 HG22 ILE 93 2HG2 ILE 93 28.406 16.843 12.409 693 HG23 ILE 93 3HG2 ILE 93 28.414 16.168 10.780 694 HD11 ILE 93 3HD1 ILE 93 30.352 20.299 9.989 695 HD12 ILE 93 1HD1 ILE 93 31.005 18.772 10.583 696 HD13 ILE 93 2HD1 ILE 93 31.089 19.159 8.864 697 H ARG 94 H ARG 94 26.211 19.608 12.706 698 HA ARG 94 HA ARG 94 25.770 17.427 14.450 699 HB2 ARG 94 2HB ARG 94 24.749 20.265 14.669 700 HB3 ARG 94 3HB ARG 94 24.815 19.091 15.976 701 HG2 ARG 94 2HG ARG 94 27.339 19.013 15.504 702 HG3 ARG 94 3HG ARG 94 27.067 20.510 14.609 703 HD2 ARG 94 2HD ARG 94 27.442 21.470 16.612 704 HD3 ARG 94 3HD ARG 94 25.749 21.066 16.895 705 HE ARG 94 HE ARG 94 26.433 19.610 18.505 706 HH11 ARG 94 1HH1 ARG 94 29.095 20.186 16.336 707 HH12 ARG 94 2HH1 ARG 94 30.223 19.254 17.263 708 HH21 ARG 94 1HH2 ARG 94 27.909 18.380 19.735 709 HH22 ARG 94 2HH2 ARG 94 29.547 18.227 19.197 710 H ASN 95 H ASN 95 23.509 19.577 12.736 711 HA ASN 95 HA ASN 95 21.135 18.436 13.638 712 HB2 ASN 95 2HB ASN 95 21.774 19.790 11.012 713 HB3 ASN 95 3HB ASN 95 20.142 19.369 11.522 714 HD21 ASN 95 1HD2 ASN 95 22.118 21.865 11.250 715 HD22 ASN 95 2HD2 ASN 95 21.604 22.841 12.579 716 H ALA 96 H ALA 96 22.804 17.797 10.549 717 HA ALA 96 HA ALA 96 21.229 15.801 9.549 718 HB1 ALA 96 1HB ALA 96 22.877 15.447 8.051 719 HB2 ALA 96 2HB ALA 96 23.568 16.893 8.788 720 HB3 ALA 96 3HB ALA 96 24.121 15.296 9.292 721 H GLU 97 H GLU 97 23.634 15.555 12.103 722 HA GLU 97 HA GLU 97 23.605 12.710 12.255 723 HB2 GLU 97 2HB GLU 97 25.522 13.816 13.120 724 HB3 GLU 97 3HB GLU 97 24.546 14.864 14.141 725 HG2 GLU 97 2HG GLU 97 23.931 12.980 15.535 726 HG3 GLU 97 3HG GLU 97 24.836 11.888 14.487 727 H GLU 98 H GLU 98 21.943 15.291 14.017 728 HA GLU 98 HA GLU 98 20.631 13.574 15.858 729 HB2 GLU 98 2HB GLU 98 19.802 15.476 16.752 730 HB3 GLU 98 3HB GLU 98 20.976 16.256 15.701 731 HG2 GLU 98 2HG GLU 98 19.180 16.437 13.972 732 HG3 GLU 98 3HG GLU 98 18.041 15.862 15.188 733 H ASP 99 H ASP 99 19.849 14.762 12.657 734 HA ASP 99 HA ASP 99 17.146 13.732 12.746 735 HB2 ASP 99 2HB ASP 99 18.802 15.165 10.695 736 HB3 ASP 99 3HB ASP 99 17.317 14.350 10.212 737 H LYS 100 H LYS 100 17.118 11.549 12.896 738 HA LYS 100 HA LYS 100 18.254 10.067 10.633 739 HB2 LYS 100 2HB LYS 100 19.011 9.821 13.434 740 HB3 LYS 100 3HB LYS 100 18.446 8.295 12.765 741 HG2 LYS 100 2HG LYS 100 20.207 8.101 11.347 742 HG3 LYS 100 3HG LYS 100 20.392 9.847 11.159 743 HD2 LYS 100 2HD LYS 100 22.269 8.826 12.390 744 HD3 LYS 100 3HD LYS 100 21.391 10.010 13.361 745 HE2 LYS 100 2HE LYS 100 20.221 8.249 14.524 746 HE3 LYS 100 3HE LYS 100 20.949 7.029 13.480 747 HZ1 LYS 100 3HZ LYS 100 21.923 7.673 15.857 748 HZ2 LYS 100 1HZ LYS 100 22.794 8.766 14.904 749 HZ3 LYS 100 2HZ LYS 100 22.892 7.107 14.591 750 H GLU 101 H GLU 101 15.648 10.842 10.730 751 HA GLU 101 HA GLU 101 13.535 10.037 10.476 752 HB2 GLU 101 2HB GLU 101 14.865 8.169 9.344 753 HB3 GLU 101 3HB GLU 101 14.655 7.264 10.837 754 HG2 GLU 101 2HG GLU 101 12.108 7.986 10.359 755 HG3 GLU 101 3HG GLU 101 12.723 7.888 8.710 756 H SER 102 H SER 102 14.816 10.477 13.166 757 HA SER 102 HA SER 102 12.587 9.796 14.758 758 HB2 SER 102 2HB SER 102 13.908 7.562 14.481 759 HB3 SER 102 3HB SER 102 15.029 8.282 15.635 760 HG SER 102 HG SER 102 12.925 6.982 16.262 761 H ASN 103 H ASN 103 13.822 12.165 14.316 762 HA ASN 103 HA ASN 103 15.759 12.791 16.329 763 HB2 ASN 103 2HB ASN 103 15.638 14.039 14.207 764 HB3 ASN 103 3HB ASN 103 14.042 14.635 14.652 765 HD21 ASN 103 1HD2 ASN 103 14.803 16.765 14.490 766 HD22 ASN 103 2HD2 ASN 103 15.785 17.466 15.727 767 H ALA 104 H ALA 104 15.487 13.811 18.275 768 HA ALA 104 HA ALA 104 14.467 14.425 20.215 769 HB1 ALA 104 1HB ALA 104 13.413 16.033 18.403 770 HB2 ALA 104 2HB ALA 104 11.945 15.148 18.821 771 HB3 ALA 104 3HB ALA 104 12.838 16.015 20.070 772 H LEU 105 H LEU 105 14.095 11.705 19.089 773 HA LEU 105 HA LEU 105 11.555 10.982 20.389 774 HB2 LEU 105 2HB LEU 105 12.731 10.202 17.920 775 HB3 LEU 105 3HB LEU 105 12.656 8.786 18.967 776 HG LEU 105 HG LEU 105 10.141 9.826 19.236 777 HD11 LEU 105 1HD1 LEU 105 9.421 10.161 16.837 778 HD12 LEU 105 2HD1 LEU 105 11.128 10.384 16.452 779 HD13 LEU 105 3HD1 LEU 105 10.325 11.486 17.570 780 HD21 LEU 105 3HD2 LEU 105 10.691 7.937 17.000 781 HD22 LEU 105 1HD2 LEU 105 9.458 7.869 18.259 782 HD23 LEU 105 2HD2 LEU 105 11.132 7.468 18.643 783 H ARG 106 H ARG 106 14.985 10.193 20.153 784 HA ARG 106 HA ARG 106 14.763 8.245 22.306 785 HB2 ARG 106 2HB ARG 106 16.205 7.719 20.398 786 HB3 ARG 106 3HB ARG 106 17.160 9.162 20.709 787 HG2 ARG 106 2HG ARG 106 17.625 8.150 23.005 788 HG3 ARG 106 3HG ARG 106 16.992 6.648 22.329 789 HD2 ARG 106 2HD ARG 106 18.885 6.256 21.223 790 HD3 ARG 106 3HD ARG 106 18.901 7.884 20.547 791 HE ARG 106 HE ARG 106 20.403 8.502 22.160 792 HH11 ARG 106 1HH1 ARG 106 18.935 5.478 23.064 793 HH12 ARG 106 2HH1 ARG 106 19.998 5.213 24.406 794 HH21 ARG 106 1HH2 ARG 106 21.809 8.165 23.925 795 HH22 ARG 106 2HH2 ARG 106 21.632 6.742 24.895 796 H PHE 107 H PHE 107 17.083 10.886 21.719 797 HA PHE 107 HA PHE 107 17.664 11.217 24.471 798 HB2 PHE 107 2HB PHE 107 18.683 12.182 22.018 799 HB3 PHE 107 3HB PHE 107 18.260 13.598 22.975 800 HD1 PHE 107 HD2 PHE 107 19.756 10.261 23.736 801 HD2 PHE 107 HD1 PHE 107 20.075 14.495 24.037 802 HE1 PHE 107 HE2 PHE 107 21.840 10.009 25.018 803 HE2 PHE 107 HE1 PHE 107 22.161 14.250 25.319 804 HZ PHE 107 HZ PHE 107 23.046 12.005 25.812 805 H GLU 108 H GLU 108 17.566 13.665 25.302 806 HA GLU 108 HA GLU 108 14.814 14.156 25.821 807 HB2 GLU 108 2HB GLU 108 17.144 15.989 26.400 808 HB3 GLU 108 3HB GLU 108 15.572 15.994 27.187 809 HG2 GLU 108 2HG GLU 108 17.552 13.733 27.323 810 HG3 GLU 108 3HG GLU 108 17.352 14.978 28.555 811 HA PRO 109 HA PRO 109 13.761 16.857 22.515 812 HB2 PRO 109 2HB PRO 109 11.755 18.252 23.698 813 HB3 PRO 109 3HB PRO 109 11.578 16.573 23.173 814 HG2 PRO 109 2HG PRO 109 12.126 17.655 25.910 815 HG3 PRO 109 3HG PRO 109 11.022 16.357 25.421 816 HD2 PRO 109 2HD PRO 109 13.465 15.868 26.481 817 HD3 PRO 109 3HD PRO 109 12.715 14.799 25.279 818 H THR 110 H THR 110 12.848 19.040 25.072 819 HA THR 110 HA THR 110 14.763 21.000 24.049 820 HB THR 110 HB THR 110 13.436 22.618 25.472 821 HG1 THR 110 HG1 THR 110 11.509 21.904 26.330 822 HG21 THR 110 3HG2 THR 110 11.545 22.711 23.913 823 HG22 THR 110 1HG2 THR 110 11.931 21.086 23.347 824 HG23 THR 110 2HG2 THR 110 13.061 22.410 23.065 Start of MODEL 15 1 H1 MET 1 H MET 1 6.348 1.990 -3.429 2 HA MET 1 HA MET 1 6.132 0.703 -5.737 3 HB2 MET 1 2HB MET 1 6.842 3.368 -6.394 4 HB3 MET 1 3HB MET 1 8.230 2.357 -6.769 5 HG2 MET 1 2HG MET 1 5.828 1.100 -7.695 6 HG3 MET 1 3HG MET 1 5.923 2.752 -8.301 7 HE1 MET 1 3HE MET 1 6.066 1.701 -10.881 8 HE2 MET 1 1HE MET 1 6.831 3.223 -10.424 9 HE3 MET 1 2HE MET 1 7.698 2.071 -11.441 10 H LEU 2 H LEU 2 8.098 -0.461 -6.474 11 HA LEU 2 HA LEU 2 10.071 -1.549 -6.118 12 HB2 LEU 2 2HB LEU 2 10.805 0.891 -5.602 13 HB3 LEU 2 3HB LEU 2 10.781 0.355 -3.924 14 HG LEU 2 HG LEU 2 12.304 -1.583 -5.036 15 HD11 LEU 2 1HD1 LEU 2 12.539 -0.827 -7.206 16 HD12 LEU 2 2HD1 LEU 2 13.975 -0.168 -6.425 17 HD13 LEU 2 3HD1 LEU 2 12.581 0.869 -6.724 18 HD21 LEU 2 3HD2 LEU 2 12.621 0.233 -3.116 19 HD22 LEU 2 1HD2 LEU 2 13.715 0.921 -4.316 20 HD23 LEU 2 2HD2 LEU 2 13.962 -0.728 -3.741 21 H GLN 3 H GLN 3 9.260 -0.261 -2.892 22 HA GLN 3 HA GLN 3 8.577 -2.949 -1.995 23 HB2 GLN 3 2HB GLN 3 10.067 -2.201 0.128 24 HB3 GLN 3 3HB GLN 3 10.674 -3.203 -1.183 25 HG2 GLN 3 2HG GLN 3 11.920 -1.510 -2.090 26 HG3 GLN 3 3HG GLN 3 10.892 -0.246 -1.418 27 HE21 GLN 3 1HE2 GLN 3 11.851 0.899 0.084 28 HE22 GLN 3 2HE2 GLN 3 13.031 0.331 1.210 29 H GLU 4 H GLU 4 9.370 0.060 -0.274 30 HA GLU 4 HA GLU 4 6.693 0.863 0.137 31 HB2 GLU 4 2HB GLU 4 6.617 0.382 2.610 32 HB3 GLU 4 3HB GLU 4 6.440 -1.021 1.566 33 HG2 GLU 4 2HG GLU 4 8.862 -1.491 1.903 34 HG3 GLU 4 3HG GLU 4 8.895 -0.186 3.088 35 H ARG 5 H ARG 5 9.949 0.806 1.530 36 HA ARG 5 HA ARG 5 11.324 2.465 2.259 37 HB2 ARG 5 2HB ARG 5 10.723 3.465 0.049 38 HB3 ARG 5 3HB ARG 5 9.420 4.338 0.845 39 HG2 ARG 5 2HG ARG 5 11.413 5.725 0.491 40 HG3 ARG 5 3HG ARG 5 11.005 5.553 2.199 41 HD2 ARG 5 2HD ARG 5 12.976 4.622 2.653 42 HD3 ARG 5 3HD ARG 5 12.797 3.460 1.338 43 HE ARG 5 HE ARG 5 14.282 5.929 1.289 44 HH11 ARG 5 1HH1 ARG 5 12.693 3.482 -0.611 45 HH12 ARG 5 2HH1 ARG 5 13.614 3.810 -2.041 46 HH21 ARG 5 1HH2 ARG 5 15.501 6.370 -0.588 47 HH22 ARG 5 2HH2 ARG 5 15.211 5.452 -2.027 48 H VAL 6 H VAL 6 11.491 4.203 3.826 49 HA VAL 6 HA VAL 6 9.061 4.473 5.476 50 HB VAL 6 HB VAL 6 11.901 4.416 6.503 51 HG11 VAL 6 1HG1 VAL 6 10.291 5.706 7.853 52 HG12 VAL 6 2HG1 VAL 6 9.273 4.270 7.978 53 HG13 VAL 6 3HG1 VAL 6 10.885 4.275 8.694 54 HG21 VAL 6 3HG2 VAL 6 11.812 2.201 6.289 55 HG22 VAL 6 1HG2 VAL 6 10.518 2.206 7.488 56 HG23 VAL 6 2HG2 VAL 6 10.128 2.258 5.769 57 H PHE 7 H PHE 7 8.351 6.478 5.017 58 HA PHE 7 HA PHE 7 10.271 8.680 4.864 59 HB2 PHE 7 2HB PHE 7 7.446 8.290 3.968 60 HB3 PHE 7 3HB PHE 7 8.017 9.926 4.279 61 HD1 PHE 7 HD1 PHE 7 9.945 10.817 2.983 62 HD2 PHE 7 HD2 PHE 7 8.072 7.118 2.020 63 HE1 PHE 7 HE1 PHE 7 10.964 10.888 0.745 64 HE2 PHE 7 HE2 PHE 7 9.089 7.183 -0.219 65 HZ PHE 7 HZ PHE 7 10.538 9.069 -0.859 66 H HIS 8 H HIS 8 10.562 10.065 6.482 67 HA HIS 8 HA HIS 8 8.474 10.307 8.538 68 HB2 HIS 8 2HB HIS 8 10.504 8.822 9.166 69 HB3 HIS 8 3HB HIS 8 11.391 10.340 9.266 70 HD1 HIS 8 HD1 HIS 8 7.872 9.613 10.494 71 HD2 HIS 8 HD2 HIS 8 11.609 10.700 11.949 72 HE1 HIS 8 HE1 HIS 8 7.531 10.076 12.942 73 H ILE 9 H ILE 9 8.844 12.263 9.948 74 HA ILE 9 HA ILE 9 8.918 14.577 8.386 75 HB ILE 9 HB ILE 9 7.771 14.561 10.514 76 HG12 ILE 9 2HG1 ILE 9 9.761 16.514 11.331 77 HG13 ILE 9 3HG1 ILE 9 9.447 16.599 9.601 78 HG21 ILE 9 1HG2 ILE 9 8.913 14.446 12.632 79 HG22 ILE 9 2HG2 ILE 9 9.340 13.034 11.668 80 HG23 ILE 9 3HG2 ILE 9 10.479 14.371 11.825 81 HD11 ILE 9 3HD1 ILE 9 8.007 17.873 11.507 82 HD12 ILE 9 1HD1 ILE 9 7.413 17.473 9.896 83 HD13 ILE 9 2HD1 ILE 9 7.044 16.416 11.259 84 H ASN 10 H ASN 10 11.424 13.027 10.327 85 HA ASN 10 HA ASN 10 13.341 15.089 10.131 86 HB2 ASN 10 2HB ASN 10 13.222 12.384 11.149 87 HB3 ASN 10 3HB ASN 10 14.746 12.667 10.312 88 HD21 ASN 10 1HD2 ASN 10 15.552 12.321 12.532 89 HD22 ASN 10 2HD2 ASN 10 15.659 13.692 13.577 90 H ASP 11 H ASP 11 12.845 12.135 8.221 91 HA ASP 11 HA ASP 11 13.714 11.451 6.223 92 HB2 ASP 11 2HB ASP 11 12.249 13.634 5.786 93 HB3 ASP 11 3HB ASP 11 13.807 14.270 5.264 94 H ARG 12 H ARG 12 15.765 10.792 6.890 95 HA ARG 12 HA ARG 12 17.954 12.650 7.030 96 HB2 ARG 12 2HB ARG 12 19.329 10.559 7.279 97 HB3 ARG 12 3HB ARG 12 18.059 10.758 8.479 98 HG2 ARG 12 2HG ARG 12 17.227 8.780 7.952 99 HG3 ARG 12 3HG ARG 12 16.996 9.301 6.282 100 HD2 ARG 12 2HD ARG 12 18.991 8.394 5.582 101 HD3 ARG 12 3HD ARG 12 19.720 8.495 7.184 102 HE ARG 12 HE ARG 12 17.662 6.670 7.393 103 HH11 ARG 12 1HH1 ARG 12 20.603 6.991 5.557 104 HH12 ARG 12 2HH1 ARG 12 20.864 5.283 5.432 105 HH21 ARG 12 1HH2 ARG 12 17.995 4.419 7.234 106 HH22 ARG 12 2HH2 ARG 12 19.380 3.821 6.385 107 H VAL 13 H VAL 13 18.635 13.569 5.198 108 HA VAL 13 HA VAL 13 19.465 11.821 3.007 109 HB VAL 13 HB VAL 13 18.544 13.518 1.359 110 HG11 VAL 13 1HG1 VAL 13 16.553 12.341 1.110 111 HG12 VAL 13 2HG1 VAL 13 17.575 11.216 2.008 112 HG13 VAL 13 3HG1 VAL 13 16.336 12.148 2.849 113 HG21 VAL 13 3HG2 VAL 13 16.900 15.045 1.990 114 HG22 VAL 13 1HG2 VAL 13 16.624 14.251 3.541 115 HG23 VAL 13 2HG2 VAL 13 18.099 15.181 3.275 116 H TRP 14 H TRP 14 20.679 13.193 1.307 117 HA TRP 14 HA TRP 14 22.270 15.252 2.689 118 HB2 TRP 14 2HB TRP 14 23.768 13.467 2.593 119 HB3 TRP 14 3HB TRP 14 23.162 12.914 1.035 120 HD1 TRP 14 HD1 TRP 14 24.437 16.474 1.857 121 HE1 TRP 14 HE1 TRP 14 26.411 16.994 0.290 122 HE3 TRP 14 HE3 TRP 14 24.840 11.941 -0.473 123 HZ2 TRP 14 HZ2 TRP 14 27.937 15.660 -1.675 124 HZ3 TRP 14 HZ3 TRP 14 26.582 11.646 -2.185 125 HH2 TRP 14 HH2 TRP 14 28.098 13.468 -2.772 126 H LEU 15 H LEU 15 22.472 17.139 1.657 127 HA LEU 15 HA LEU 15 21.624 17.260 -1.162 128 HB2 LEU 15 2HB LEU 15 20.176 18.402 0.561 129 HB3 LEU 15 3HB LEU 15 21.517 19.513 0.830 130 HG LEU 15 HG LEU 15 20.437 19.191 -1.932 131 HD11 LEU 15 1HD1 LEU 15 19.214 21.239 -0.162 132 HD12 LEU 15 2HD1 LEU 15 18.603 19.587 -0.077 133 HD13 LEU 15 3HD1 LEU 15 18.572 20.461 -1.609 134 HD21 LEU 15 3HD2 LEU 15 20.918 21.829 -1.457 135 HD22 LEU 15 1HD2 LEU 15 22.082 20.697 -2.145 136 HD23 LEU 15 2HD2 LEU 15 22.115 21.054 -0.418 137 H LYS 16 H LYS 16 23.012 18.048 -2.618 138 HA LYS 16 HA LYS 16 25.645 18.880 -1.704 139 HB2 LYS 16 2HB LYS 16 25.601 17.247 -3.473 140 HB3 LYS 16 3HB LYS 16 24.541 18.258 -4.447 141 HG2 LYS 16 2HG LYS 16 26.800 18.342 -5.297 142 HG3 LYS 16 3HG LYS 16 26.332 19.919 -4.656 143 HD2 LYS 16 2HD LYS 16 28.503 19.590 -3.848 144 HD3 LYS 16 3HD LYS 16 27.466 19.159 -2.486 145 HE2 LYS 16 2HE LYS 16 29.103 17.469 -2.598 146 HE3 LYS 16 3HE LYS 16 27.645 16.763 -3.292 147 HZ1 LYS 16 3HZ LYS 16 28.701 17.642 -5.497 148 HZ2 LYS 16 1HZ LYS 16 29.192 16.163 -4.837 149 HZ3 LYS 16 2HZ LYS 16 30.141 17.545 -4.614 150 H THR 17 H THR 17 26.014 20.952 -1.307 151 HA THR 17 HA THR 17 24.368 23.015 -2.507 152 HB THR 17 HB THR 17 26.728 23.671 -0.798 153 HG1 THR 17 HG1 THR 17 25.319 23.236 1.049 154 HG21 THR 17 3HG2 THR 17 24.202 24.861 -0.087 155 HG22 THR 17 1HG2 THR 17 24.507 25.047 -1.813 156 HG23 THR 17 2HG2 THR 17 25.686 25.637 -0.641 157 H GLY 18 H GLY 18 27.564 21.684 -2.862 158 HA2 GLY 18 2HA GLY 18 27.952 23.089 -5.330 159 HA3 GLY 18 3HA GLY 18 28.993 23.698 -4.052 160 H ALA 19 H ALA 19 30.589 22.325 -3.158 161 HA ALA 19 HA ALA 19 31.061 19.794 -4.555 162 HB1 ALA 19 1HB ALA 19 32.760 22.210 -4.686 163 HB2 ALA 19 2HB ALA 19 33.587 20.665 -4.486 164 HB3 ALA 19 3HB ALA 19 32.521 20.922 -5.867 165 H ASN 20 H ASN 20 32.076 21.989 -1.960 166 HA ASN 20 HA ASN 20 32.758 19.622 -0.342 167 HB2 ASN 20 2HB ASN 20 34.522 21.542 -1.063 168 HB3 ASN 20 3HB ASN 20 33.910 22.236 0.435 169 HD21 ASN 20 1HD2 ASN 20 34.333 21.224 2.375 170 HD22 ASN 20 2HD2 ASN 20 35.502 19.961 2.531 171 H THR 21 H THR 21 30.666 22.210 -0.710 172 HA THR 21 HA THR 21 30.026 22.323 2.155 173 HB THR 21 HB THR 21 28.452 24.122 0.527 174 HG1 THR 21 HG1 THR 21 31.288 24.244 0.280 175 HG21 THR 21 3HG2 THR 21 29.620 25.794 2.050 176 HG22 THR 21 1HG2 THR 21 30.426 24.408 2.783 177 HG23 THR 21 2HG2 THR 21 28.668 24.540 2.843 178 H TRP 22 H TRP 22 28.378 21.160 2.875 179 HA TRP 22 HA TRP 22 26.123 20.624 1.065 180 HB2 TRP 22 2HB TRP 22 26.980 18.550 3.049 181 HB3 TRP 22 3HB TRP 22 26.065 18.355 1.557 182 HD1 TRP 22 HD1 TRP 22 27.936 19.486 -0.600 183 HE1 TRP 22 HE1 TRP 22 30.215 18.406 -1.116 184 HE3 TRP 22 HE3 TRP 22 28.676 17.006 3.808 185 HZ2 TRP 22 HZ2 TRP 22 32.079 16.724 0.174 186 HZ3 TRP 22 HZ3 TRP 22 30.732 15.684 4.087 187 HH2 TRP 22 HH2 TRP 22 32.396 15.547 2.306 188 H TRP 23 H TRP 23 24.102 20.165 2.145 189 HA TRP 23 HA TRP 23 23.970 20.901 4.971 190 HB2 TRP 23 2HB TRP 23 23.589 22.896 3.299 191 HB3 TRP 23 3HB TRP 23 21.998 22.165 3.107 192 HD1 TRP 23 HD1 TRP 23 20.348 22.238 5.219 193 HE1 TRP 23 HE1 TRP 23 20.323 23.720 7.323 194 HE3 TRP 23 HE3 TRP 23 25.110 24.081 4.969 195 HZ2 TRP 23 HZ2 TRP 23 22.089 25.443 8.695 196 HZ3 TRP 23 HZ3 TRP 23 25.864 25.641 6.716 197 HH2 TRP 23 HH2 TRP 23 24.383 26.307 8.540 198 HA PRO 24 HA PRO 24 21.135 17.511 4.957 199 HB2 PRO 24 2HB PRO 24 20.128 17.875 7.452 200 HB3 PRO 24 3HB PRO 24 21.738 17.209 7.154 201 HG2 PRO 24 2HG PRO 24 20.951 20.002 7.890 202 HG3 PRO 24 3HG PRO 24 22.292 19.018 8.505 203 HD2 PRO 24 2HD PRO 24 22.635 20.940 6.628 204 HD3 PRO 24 3HD PRO 24 23.623 19.466 6.677 205 H ALA 25 H ALA 25 19.038 17.201 4.417 206 HA ALA 25 HA ALA 25 17.209 19.500 4.674 207 HB1 ALA 25 1HB ALA 25 16.254 19.013 2.553 208 HB2 ALA 25 2HB ALA 25 18.004 19.044 2.337 209 HB3 ALA 25 3HB ALA 25 17.154 17.502 2.423 210 H LYS 26 H LYS 26 15.252 19.124 5.545 211 HA LYS 26 HA LYS 26 14.466 16.323 6.009 212 HB2 LYS 26 2HB LYS 26 13.606 16.934 8.192 213 HB3 LYS 26 3HB LYS 26 15.303 17.382 8.082 214 HG2 LYS 26 2HG LYS 26 14.596 19.324 8.941 215 HG3 LYS 26 3HG LYS 26 14.128 19.679 7.276 216 HD2 LYS 26 2HD LYS 26 12.011 19.865 7.926 217 HD3 LYS 26 3HD LYS 26 12.032 18.178 8.447 218 HE2 LYS 26 2HE LYS 26 12.921 18.884 10.628 219 HE3 LYS 26 3HE LYS 26 12.851 20.565 10.101 220 HZ1 LYS 26 3HZ LYS 26 10.580 18.715 10.551 221 HZ2 LYS 26 1HZ LYS 26 10.413 20.198 9.753 222 HZ3 LYS 26 2HZ LYS 26 10.918 20.158 11.367 223 H VAL 27 H VAL 27 12.501 15.799 5.304 224 HA VAL 27 HA VAL 27 10.799 17.880 4.202 225 HB VAL 27 HB VAL 27 10.298 14.904 4.188 226 HG11 VAL 27 1HG1 VAL 27 8.823 17.168 3.271 227 HG12 VAL 27 2HG1 VAL 27 9.330 16.209 1.880 228 HG13 VAL 27 3HG1 VAL 27 8.401 15.459 3.178 229 HG21 VAL 27 3HG2 VAL 27 12.168 14.782 2.951 230 HG22 VAL 27 1HG2 VAL 27 11.180 15.505 1.682 231 HG23 VAL 27 2HG2 VAL 27 12.220 16.523 2.678 232 H THR 28 H THR 28 9.183 18.765 5.292 233 HA THR 28 HA THR 28 8.332 17.654 7.822 234 HB THR 28 HB THR 28 8.622 20.059 7.680 235 HG1 THR 28 HG1 THR 28 6.848 20.464 8.831 236 HG21 THR 28 3HG2 THR 28 8.216 20.836 5.576 237 HG22 THR 28 1HG2 THR 28 6.650 21.206 6.296 238 HG23 THR 28 2HG2 THR 28 6.850 19.751 5.319 239 H SER 29 H SER 29 7.482 17.093 4.683 240 HA SER 29 HA SER 29 5.742 16.017 3.688 241 HB2 SER 29 2HB SER 29 5.944 14.773 6.029 242 HB3 SER 29 3HB SER 29 4.368 15.520 6.292 243 HG SER 29 HG SER 29 5.139 13.685 4.286 244 H VAL 30 H VAL 30 5.462 18.589 3.449 245 HA VAL 30 HA VAL 30 2.639 19.133 4.103 246 HB VAL 30 HB VAL 30 4.887 21.148 3.966 247 HG11 VAL 30 1HG1 VAL 30 2.981 22.232 3.115 248 HG12 VAL 30 2HG1 VAL 30 1.915 21.461 4.291 249 HG13 VAL 30 3HG1 VAL 30 3.058 22.699 4.814 250 HG21 VAL 30 3HG2 VAL 30 3.181 20.402 6.334 251 HG22 VAL 30 1HG2 VAL 30 4.767 19.699 6.016 252 HG23 VAL 30 2HG2 VAL 30 4.613 21.431 6.313 253 H THR 31 H THR 31 1.471 19.055 2.309 254 HA THR 31 HA THR 31 2.628 19.360 -0.295 255 HB THR 31 HB THR 31 0.798 17.791 0.018 256 HG1 THR 31 HG1 THR 31 0.501 18.336 -2.009 257 HG21 THR 31 3HG2 THR 31 -1.172 18.262 1.010 258 HG22 THR 31 1HG2 THR 31 -1.293 19.847 0.249 259 HG23 THR 31 2HG2 THR 31 -0.296 19.634 1.689 260 H GLY 32 H GLY 32 1.645 20.844 -1.936 261 HA2 GLY 32 2HA GLY 32 1.084 23.475 -0.711 262 HA3 GLY 32 3HA GLY 32 2.071 23.276 -2.151 263 H VAL 33 H VAL 33 -1.013 21.731 -1.335 264 HA VAL 33 HA VAL 33 -2.418 23.348 -3.297 265 HB VAL 33 HB VAL 33 -2.155 20.356 -3.617 266 HG11 VAL 33 1HG1 VAL 33 -3.500 21.343 -5.814 267 HG12 VAL 33 2HG1 VAL 33 -4.216 20.455 -4.468 268 HG13 VAL 33 3HG1 VAL 33 -4.219 22.219 -4.463 269 HG21 VAL 33 3HG2 VAL 33 -0.241 21.400 -4.543 270 HG22 VAL 33 1HG2 VAL 33 -1.314 21.047 -5.897 271 HG23 VAL 33 2HG2 VAL 33 -1.204 22.689 -5.263 272 H GLU 34 H GLU 34 -3.081 20.133 -1.936 273 HA GLU 34 HA GLU 34 -4.696 20.930 0.192 274 HB2 GLU 34 2HB GLU 34 -6.949 20.356 -0.845 275 HB3 GLU 34 3HB GLU 34 -6.256 21.912 -1.280 276 HG2 GLU 34 2HG GLU 34 -6.022 21.356 -3.441 277 HG3 GLU 34 3HG GLU 34 -5.568 19.692 -3.075 278 H GLY 35 H GLY 35 -2.802 18.894 -0.533 279 HA2 GLY 35 2HA GLY 35 -2.630 16.738 0.435 280 HA3 GLY 35 3HA GLY 35 -4.373 16.564 0.294 281 H VAL 36 H VAL 36 -2.124 17.569 -2.237 282 HA VAL 36 HA VAL 36 -3.121 15.403 -3.917 283 HB VAL 36 HB VAL 36 -1.268 17.666 -4.668 284 HG11 VAL 36 1HG1 VAL 36 -1.067 15.864 -6.219 285 HG12 VAL 36 2HG1 VAL 36 -2.818 15.665 -6.301 286 HG13 VAL 36 3HG1 VAL 36 -2.061 17.109 -6.974 287 HG21 VAL 36 3HG2 VAL 36 -3.417 18.525 -3.890 288 HG22 VAL 36 1HG2 VAL 36 -3.243 18.742 -5.631 289 HG23 VAL 36 2HG2 VAL 36 -4.259 17.446 -5.001 290 H ASP 37 H ASP 37 -0.305 16.312 -2.142 291 HA ASP 37 HA ASP 37 1.691 14.919 -3.503 292 HB2 ASP 37 2HB ASP 37 2.275 16.430 -1.724 293 HB3 ASP 37 3HB ASP 37 1.361 15.483 -0.553 294 H GLY 38 H GLY 38 -0.941 13.761 -1.595 295 HA2 GLY 38 2HA GLY 38 0.263 11.111 -1.295 296 HA3 GLY 38 3HA GLY 38 -1.253 11.648 -0.587 297 H ARG 39 H ARG 39 -1.802 12.778 -3.437 298 HA ARG 39 HA ARG 39 -3.076 10.323 -4.379 299 HB2 ARG 39 2HB ARG 39 -3.473 13.213 -5.171 300 HB3 ARG 39 3HB ARG 39 -4.354 11.860 -5.869 301 HG2 ARG 39 2HG ARG 39 -5.326 11.343 -3.709 302 HG3 ARG 39 3HG ARG 39 -4.397 12.645 -2.963 303 HD2 ARG 39 2HD ARG 39 -6.118 13.989 -3.389 304 HD3 ARG 39 3HD ARG 39 -5.705 13.851 -5.098 305 HE ARG 39 HE ARG 39 -7.331 11.681 -4.237 306 HH11 ARG 39 1HH1 ARG 39 -7.424 15.037 -5.157 307 HH12 ARG 39 2HH1 ARG 39 -9.069 14.978 -5.698 308 HH21 ARG 39 1HH2 ARG 39 -9.497 11.590 -4.946 309 HH22 ARG 39 2HH2 ARG 39 -10.247 13.017 -5.576 310 H SER 40 H SER 40 -1.856 13.103 -6.218 311 HA SER 40 HA SER 40 0.324 11.889 -7.440 312 HB2 SER 40 2HB SER 40 -2.290 11.148 -8.601 313 HB3 SER 40 3HB SER 40 -1.076 11.684 -9.762 314 HG SER 40 HG SER 40 -0.677 9.562 -9.551 315 H SER 41 H SER 41 1.391 13.301 -8.768 316 HA SER 41 HA SER 41 0.712 16.014 -8.654 317 HB2 SER 41 2HB SER 41 2.657 14.504 -10.403 318 HB3 SER 41 3HB SER 41 2.510 16.261 -10.439 319 HG SER 41 HG SER 41 4.061 15.015 -8.887 320 H GLU 42 H GLU 42 -0.312 13.540 -10.791 321 HA GLU 42 HA GLU 42 -0.860 14.976 -13.121 322 HB2 GLU 42 2HB GLU 42 -2.469 13.213 -13.642 323 HB3 GLU 42 3HB GLU 42 -0.983 12.532 -12.994 324 HG2 GLU 42 2HG GLU 42 -2.190 11.420 -11.518 325 HG3 GLU 42 3HG GLU 42 -2.655 12.956 -10.789 326 H THR 43 H THR 43 -2.530 14.850 -10.070 327 HA THR 43 HA THR 43 -5.052 15.771 -10.788 328 HB THR 43 HB THR 43 -3.634 16.627 -8.267 329 HG1 THR 43 HG1 THR 43 -4.782 14.118 -8.956 330 HG21 THR 43 3HG2 THR 43 -6.100 16.066 -7.484 331 HG22 THR 43 1HG2 THR 43 -6.460 16.402 -9.176 332 HG23 THR 43 2HG2 THR 43 -5.691 17.635 -8.177 333 H GLY 44 H GLY 44 -2.526 17.833 -9.332 334 HA2 GLY 44 2HA GLY 44 -3.187 19.935 -11.267 335 HA3 GLY 44 3HA GLY 44 -3.383 20.297 -9.558 336 H THR 45 H THR 45 -1.423 19.962 -8.187 337 HA THR 45 HA THR 45 1.145 19.963 -9.466 338 HB THR 45 HB THR 45 1.595 22.307 -8.267 339 HG1 THR 45 HG1 THR 45 -0.493 22.750 -7.624 340 HG21 THR 45 3HG2 THR 45 0.300 22.391 -10.967 341 HG22 THR 45 1HG2 THR 45 1.819 21.525 -10.736 342 HG23 THR 45 2HG2 THR 45 1.726 23.251 -10.385 343 H SER 46 H SER 46 0.985 18.156 -7.862 344 HA SER 46 HA SER 46 0.922 18.659 -5.083 345 HB2 SER 46 2HB SER 46 0.612 16.432 -5.289 346 HB3 SER 46 3HB SER 46 1.453 16.371 -6.838 347 HG SER 46 HG SER 46 3.089 15.588 -5.801 348 H THR 47 H THR 47 2.331 20.022 -4.175 349 HA THR 47 HA THR 47 5.195 19.640 -4.764 350 HB THR 47 HB THR 47 5.612 21.954 -4.416 351 HG1 THR 47 HG1 THR 47 4.234 22.430 -2.719 352 HG21 THR 47 3HG2 THR 47 4.817 22.639 -6.399 353 HG22 THR 47 1HG2 THR 47 3.139 22.446 -5.894 354 HG23 THR 47 2HG2 THR 47 4.047 21.055 -6.487 355 H VAL 48 H VAL 48 6.411 19.005 -3.110 356 HA VAL 48 HA VAL 48 5.262 19.052 -0.418 357 HB VAL 48 HB VAL 48 7.721 17.610 -1.420 358 HG11 VAL 48 1HG1 VAL 48 7.961 17.952 0.908 359 HG12 VAL 48 2HG1 VAL 48 6.265 17.571 1.213 360 HG13 VAL 48 3HG1 VAL 48 7.379 16.298 0.714 361 HG21 VAL 48 3HG2 VAL 48 6.203 16.290 -2.418 362 HG22 VAL 48 1HG2 VAL 48 5.895 15.691 -0.787 363 HG23 VAL 48 2HG2 VAL 48 4.866 16.948 -1.474 364 H THR 49 H THR 49 5.742 20.770 0.775 365 HA THR 49 HA THR 49 8.166 22.289 0.307 366 HB THR 49 HB THR 49 6.123 22.792 2.470 367 HG1 THR 49 HG1 THR 49 4.982 22.791 0.546 368 HG21 THR 49 3HG2 THR 49 8.312 24.370 1.176 369 HG22 THR 49 1HG2 THR 49 7.926 24.187 2.886 370 HG23 THR 49 2HG2 THR 49 6.913 25.200 1.858 371 H VAL 50 H VAL 50 10.014 21.924 1.329 372 HA VAL 50 HA VAL 50 9.934 20.559 3.942 373 HB VAL 50 HB VAL 50 11.984 19.470 3.463 374 HG11 VAL 50 1HG1 VAL 50 10.500 19.318 0.854 375 HG12 VAL 50 2HG1 VAL 50 11.399 18.044 1.680 376 HG13 VAL 50 3HG1 VAL 50 9.870 18.619 2.345 377 HG21 VAL 50 3HG2 VAL 50 12.221 21.544 1.373 378 HG22 VAL 50 1HG2 VAL 50 13.456 20.823 2.405 379 HG23 VAL 50 2HG2 VAL 50 12.882 19.957 0.980 380 H LEU 51 H LEU 51 11.406 21.219 5.538 381 HA LEU 51 HA LEU 51 12.889 23.696 5.016 382 HB2 LEU 51 2HB LEU 51 10.705 24.253 6.030 383 HB3 LEU 51 3HB LEU 51 11.116 23.239 7.411 384 HG LEU 51 HG LEU 51 13.129 24.810 7.708 385 HD11 LEU 51 1HD1 LEU 51 11.788 26.029 5.449 386 HD12 LEU 51 2HD1 LEU 51 13.391 26.338 6.114 387 HD13 LEU 51 3HD1 LEU 51 11.983 27.154 6.792 388 HD21 LEU 51 3HD2 LEU 51 10.433 26.059 8.161 389 HD22 LEU 51 1HD2 LEU 51 11.889 26.202 9.146 390 HD23 LEU 51 2HD2 LEU 51 11.007 24.676 9.093 391 H THR 52 H THR 52 14.939 23.169 5.378 392 HA THR 52 HA THR 52 15.798 21.025 6.992 393 HB THR 52 HB THR 52 18.010 21.694 6.538 394 HG1 THR 52 HG1 THR 52 16.891 24.280 6.354 395 HG21 THR 52 3HG2 THR 52 16.279 21.358 4.519 396 HG22 THR 52 1HG2 THR 52 17.998 21.659 4.265 397 HG23 THR 52 2HG2 THR 52 16.842 22.986 4.143 398 H TYR 53 H TYR 53 17.837 21.851 8.560 399 HA TYR 53 HA TYR 53 16.420 23.209 10.735 400 HB2 TYR 53 2HB TYR 53 18.462 21.098 10.579 401 HB3 TYR 53 3HB TYR 53 18.744 22.288 11.844 402 HD1 TYR 53 HD1 TYR 53 16.215 19.907 10.530 403 HD2 TYR 53 HD2 TYR 53 17.537 22.206 13.857 404 HE1 TYR 53 HE1 TYR 53 14.581 18.758 11.965 405 HE2 TYR 53 HE2 TYR 53 15.907 21.063 15.302 406 HH TYR 53 HH TYR 53 14.636 19.005 15.375 407 HA PRO 54 HA PRO 54 18.864 26.849 10.439 408 HB2 PRO 54 2HB PRO 54 18.831 27.657 13.030 409 HB3 PRO 54 3HB PRO 54 17.422 27.775 11.969 410 HG2 PRO 54 2HG PRO 54 18.072 25.704 14.031 411 HG3 PRO 54 3HG PRO 54 16.524 26.501 13.695 412 HD2 PRO 54 2HD PRO 54 17.102 24.008 12.809 413 HD3 PRO 54 3HD PRO 54 16.062 25.125 11.904 414 H GLY 55 H GLY 55 20.991 27.278 10.399 415 HA2 GLY 55 2HA GLY 55 22.789 25.488 11.833 416 HA3 GLY 55 3HA GLY 55 23.236 26.616 10.562 417 H THR 56 H THR 56 24.870 27.694 11.544 418 HA THR 56 HA THR 56 24.394 28.849 14.195 419 HB THR 56 HB THR 56 26.514 27.593 13.795 420 HG1 THR 56 HG1 THR 56 27.292 28.888 15.269 421 HG21 THR 56 3HG2 THR 56 27.484 29.939 12.207 422 HG22 THR 56 1HG2 THR 56 26.684 28.592 11.399 423 HG23 THR 56 2HG2 THR 56 28.159 28.315 12.325 424 H GLN 57 H GLN 57 24.923 29.720 10.851 425 HA GLN 57 HA GLN 57 24.483 32.541 11.576 426 HB2 GLN 57 2HB GLN 57 26.638 31.334 10.042 427 HB3 GLN 57 3HB GLN 57 25.797 32.576 9.125 428 HG2 GLN 57 2HG GLN 57 27.001 32.935 11.860 429 HG3 GLN 57 3HG GLN 57 27.718 33.467 10.340 430 HE21 GLN 57 1HE2 GLN 57 25.918 34.407 12.937 431 HE22 GLN 57 2HE2 GLN 57 25.178 35.820 12.274 432 H ASN 58 H ASN 58 23.950 29.951 9.265 433 HA ASN 58 HA ASN 58 22.078 31.607 7.751 434 HB2 ASN 58 2HB ASN 58 23.877 29.702 6.941 435 HB3 ASN 58 3HB ASN 58 22.370 28.791 6.963 436 HD21 ASN 58 1HD2 ASN 58 23.889 31.716 5.723 437 HD22 ASN 58 2HD2 ASN 58 22.917 31.833 4.299 438 H LYS 59 H LYS 59 19.901 31.163 7.569 439 HA LYS 59 HA LYS 59 18.814 29.415 9.659 440 HB2 LYS 59 2HB LYS 59 18.220 31.978 9.216 441 HB3 LYS 59 3HB LYS 59 17.068 31.256 8.101 442 HG2 LYS 59 2HG LYS 59 15.740 31.263 9.914 443 HG3 LYS 59 3HG LYS 59 16.590 29.759 10.277 444 HD2 LYS 59 2HD LYS 59 18.005 30.808 11.832 445 HD3 LYS 59 3HD LYS 59 17.600 32.420 11.240 446 HE2 LYS 59 2HE LYS 59 15.179 31.231 12.035 447 HE3 LYS 59 3HE LYS 59 16.347 30.872 13.306 448 HZ1 LYS 59 3HZ LYS 59 14.989 33.247 12.894 449 HZ2 LYS 59 1HZ LYS 59 16.600 33.565 12.487 450 HZ3 LYS 59 2HZ LYS 59 16.220 32.951 14.016 451 H ALA 60 H ALA 60 16.903 28.133 9.173 452 HA ALA 60 HA ALA 60 17.235 26.540 6.872 453 HB1 ALA 60 1HB ALA 60 15.125 25.464 7.563 454 HB2 ALA 60 2HB ALA 60 16.273 25.630 8.893 455 HB3 ALA 60 3HB ALA 60 14.900 26.730 8.770 456 H THR 61 H THR 61 16.205 26.486 4.930 457 HA THR 61 HA THR 61 14.484 28.789 4.308 458 HB THR 61 HB THR 61 15.802 27.076 2.222 459 HG1 THR 61 HG1 THR 61 17.554 27.718 3.395 460 HG21 THR 61 3HG2 THR 61 14.898 29.955 2.329 461 HG22 THR 61 1HG2 THR 61 14.146 28.640 1.426 462 HG23 THR 61 2HG2 THR 61 15.746 29.224 0.966 463 H TYR 62 H TYR 62 12.540 28.520 3.245 464 HA TYR 62 HA TYR 62 11.511 25.763 3.205 465 HB2 TYR 62 2HB TYR 62 9.245 26.956 3.246 466 HB3 TYR 62 3HB TYR 62 10.205 27.008 4.720 467 HD1 TYR 62 HD1 TYR 62 11.301 29.091 5.417 468 HD2 TYR 62 HD2 TYR 62 8.803 28.952 1.975 469 HE1 TYR 62 HE1 TYR 62 11.163 31.547 5.425 470 HE2 TYR 62 HE2 TYR 62 8.660 31.408 1.973 471 HH TYR 62 HH TYR 62 9.149 33.281 3.080 472 H LYS 63 H LYS 63 11.283 24.882 1.271 473 HA LYS 63 HA LYS 63 10.408 26.563 -0.970 474 HB2 LYS 63 2HB LYS 63 12.948 26.069 -0.928 475 HB3 LYS 63 3HB LYS 63 12.489 24.428 -1.366 476 HG2 LYS 63 2HG LYS 63 11.919 25.003 -3.474 477 HG3 LYS 63 3HG LYS 63 11.324 26.595 -2.998 478 HD2 LYS 63 2HD LYS 63 13.217 27.185 -4.152 479 HD3 LYS 63 3HD LYS 63 13.870 27.044 -2.518 480 HE2 LYS 63 2HE LYS 63 15.411 25.809 -3.670 481 HE3 LYS 63 3HE LYS 63 14.256 24.543 -3.257 482 HZ1 LYS 63 3HZ LYS 63 14.208 26.025 -5.826 483 HZ2 LYS 63 1HZ LYS 63 13.325 24.639 -5.422 484 HZ3 LYS 63 2HZ LYS 63 15.003 24.547 -5.616 485 H ASN 64 H ASN 64 8.974 25.615 -2.344 486 HA ASN 64 HA ASN 64 8.013 22.957 -1.569 487 HB2 ASN 64 2HB ASN 64 6.028 23.629 -3.041 488 HB3 ASN 64 3HB ASN 64 6.240 24.516 -1.534 489 HD21 ASN 64 1HD2 ASN 64 6.356 24.656 -4.984 490 HD22 ASN 64 2HD2 ASN 64 6.522 26.371 -5.119 491 H VAL 65 H VAL 65 8.547 21.261 -2.760 492 HA VAL 65 HA VAL 65 8.715 21.494 -5.656 493 HB VAL 65 HB VAL 65 10.892 20.344 -5.770 494 HG11 VAL 65 1HG1 VAL 65 10.539 22.915 -5.694 495 HG12 VAL 65 2HG1 VAL 65 11.328 22.800 -4.120 496 HG13 VAL 65 3HG1 VAL 65 12.172 22.261 -5.572 497 HG21 VAL 65 3HG2 VAL 65 12.146 20.770 -3.390 498 HG22 VAL 65 1HG2 VAL 65 10.532 20.293 -2.862 499 HG23 VAL 65 2HG2 VAL 65 11.468 19.226 -3.909 500 H ASP 66 H ASP 66 8.737 19.421 -6.738 501 HA ASP 66 HA ASP 66 6.909 17.597 -5.753 502 HB2 ASP 66 2HB ASP 66 7.815 17.889 -8.150 503 HB3 ASP 66 3HB ASP 66 9.092 16.780 -7.658 504 H SER 67 H SER 67 10.406 17.646 -5.414 505 HA SER 67 HA SER 67 10.443 16.149 -3.061 506 HB2 SER 67 2HB SER 67 10.388 14.553 -5.514 507 HB3 SER 67 3HB SER 67 11.773 14.190 -4.485 508 HG SER 67 HG SER 67 10.462 13.164 -3.222 509 H HIS 68 H HIS 68 12.158 16.972 -6.026 510 HA HIS 68 HA HIS 68 14.235 17.819 -6.403 511 HB2 HIS 68 2HB HIS 68 13.437 18.871 -3.895 512 HB3 HIS 68 3HB HIS 68 15.129 18.409 -3.743 513 HD1 HIS 68 HD1 HIS 68 15.943 19.144 -6.699 514 HD2 HIS 68 HD2 HIS 68 13.836 21.587 -4.081 515 HE1 HIS 68 HE1 HIS 68 16.331 21.492 -7.511 516 H SER 69 H SER 69 13.783 14.983 -5.605 517 HA SER 69 HA SER 69 16.019 14.112 -4.080 518 HB2 SER 69 2HB SER 69 13.935 12.780 -4.368 519 HB3 SER 69 3HB SER 69 14.365 12.525 -6.059 520 HG SER 69 HG SER 69 15.112 10.771 -4.947 521 H SER 70 H SER 70 15.761 15.311 -7.204 522 HA SER 70 HA SER 70 17.816 13.728 -8.435 523 HB2 SER 70 2HB SER 70 17.696 15.867 -10.046 524 HB3 SER 70 3HB SER 70 16.490 14.581 -10.094 525 HG SER 70 HG SER 70 16.312 17.089 -8.788 526 H ALA 71 H ALA 71 17.830 16.194 -6.169 527 HA ALA 71 HA ALA 71 20.600 16.929 -6.863 528 HB1 ALA 71 1HB ALA 71 18.604 18.685 -6.774 529 HB2 ALA 71 2HB ALA 71 19.032 18.685 -5.063 530 HB3 ALA 71 3HB ALA 71 20.245 19.095 -6.276 531 H ILE 72 H ILE 72 18.436 15.719 -4.447 532 HA ILE 72 HA ILE 72 20.650 15.616 -2.506 533 HB ILE 72 HB ILE 72 19.055 15.517 -0.729 534 HG12 ILE 72 2HG1 ILE 72 16.936 15.425 -2.887 535 HG13 ILE 72 3HG1 ILE 72 17.371 14.110 -1.801 536 HG21 ILE 72 1HG2 ILE 72 19.262 17.699 -2.499 537 HG22 ILE 72 2HG2 ILE 72 17.581 17.621 -1.976 538 HG23 ILE 72 3HG2 ILE 72 18.872 17.727 -0.780 539 HD11 ILE 72 3HD1 ILE 72 16.741 16.300 -0.169 540 HD12 ILE 72 1HD1 ILE 72 15.499 16.231 -1.418 541 HD13 ILE 72 2HD1 ILE 72 15.813 14.820 -0.408 542 H THR 73 H THR 73 21.282 13.690 -1.678 543 HA THR 73 HA THR 73 20.162 11.297 -2.925 544 HB THR 73 HB THR 73 22.335 10.605 -1.246 545 HG1 THR 73 HG1 THR 73 22.961 12.793 -1.261 546 HG21 THR 73 3HG2 THR 73 22.667 11.025 -4.181 547 HG22 THR 73 1HG2 THR 73 21.497 9.834 -3.616 548 HG23 THR 73 2HG2 THR 73 23.197 9.681 -3.171 549 H PHE 74 H PHE 74 20.325 9.281 -1.399 550 HA PHE 74 HA PHE 74 18.868 9.973 1.063 551 HB2 PHE 74 2HB PHE 74 17.683 8.611 -0.715 552 HB3 PHE 74 3HB PHE 74 18.821 7.314 -0.367 553 HD1 PHE 74 HD2 PHE 74 15.992 9.257 0.906 554 HD2 PHE 74 HD1 PHE 74 18.674 6.042 1.666 555 HE1 PHE 74 HE2 PHE 74 14.542 8.486 2.738 556 HE2 PHE 74 HE1 PHE 74 17.229 5.265 3.499 557 HZ PHE 74 HZ PHE 74 15.160 6.488 4.038 558 H PHE 75 H PHE 75 20.897 10.293 2.171 559 HA PHE 75 HA PHE 75 21.713 8.038 3.645 560 HB2 PHE 75 2HB PHE 75 23.104 8.418 1.167 561 HB3 PHE 75 3HB PHE 75 24.215 8.718 2.499 562 HD1 PHE 75 HD1 PHE 75 23.484 6.853 4.530 563 HD2 PHE 75 HD2 PHE 75 23.493 6.329 0.306 564 HE1 PHE 75 HE1 PHE 75 23.773 4.428 4.835 565 HE2 PHE 75 HE2 PHE 75 23.781 3.904 0.604 566 HZ PHE 75 HZ PHE 75 23.921 2.950 2.871 567 H GLU 76 H GLU 76 24.099 8.696 4.648 568 HA GLU 76 HA GLU 76 23.646 11.395 5.723 569 HB2 GLU 76 2HB GLU 76 24.678 10.706 7.736 570 HB3 GLU 76 3HB GLU 76 23.612 9.387 7.276 571 HG2 GLU 76 2HG GLU 76 25.981 8.702 6.072 572 HG3 GLU 76 3HG GLU 76 26.501 9.434 7.589 573 HA PRO 77 HA PRO 77 27.394 12.916 4.019 574 HB2 PRO 77 2HB PRO 77 28.164 14.675 5.938 575 HB3 PRO 77 3HB PRO 77 26.798 14.971 4.856 576 HG2 PRO 77 2HG PRO 77 26.797 13.969 7.676 577 HG3 PRO 77 3HG PRO 77 25.734 15.165 6.914 578 HD2 PRO 77 2HD PRO 77 24.982 12.596 7.317 579 HD3 PRO 77 3HD PRO 77 24.411 13.552 5.935 580 H SER 78 H SER 78 29.736 13.567 4.889 581 HA SER 78 HA SER 78 30.732 11.178 6.277 582 HB2 SER 78 2HB SER 78 31.586 12.554 3.936 583 HB3 SER 78 3HB SER 78 32.857 12.720 5.147 584 HG SER 78 HG SER 78 32.050 10.514 3.751 585 H SER 79 H SER 79 30.434 14.597 6.527 586 HA SER 79 HA SER 79 30.855 16.020 8.261 587 HB2 SER 79 2HB SER 79 30.356 13.878 9.633 588 HB3 SER 79 3HB SER 79 32.106 13.776 9.831 589 HG SER 79 HG SER 79 31.681 15.054 11.464 590 H GLU 80 H GLU 80 33.527 13.679 8.564 591 HA GLU 80 HA GLU 80 35.521 15.622 8.880 592 HB2 GLU 80 2HB GLU 80 35.489 12.710 8.248 593 HB3 GLU 80 3HB GLU 80 36.987 13.592 7.983 594 HG2 GLU 80 2HG GLU 80 36.655 14.439 10.392 595 HG3 GLU 80 3HG GLU 80 35.521 13.098 10.540 596 H LYS 81 H LYS 81 34.022 14.306 6.044 597 HA LYS 81 HA LYS 81 36.063 15.226 4.227 598 HB2 LYS 81 2HB LYS 81 33.281 14.138 3.774 599 HB3 LYS 81 3HB LYS 81 34.379 14.585 2.475 600 HG2 LYS 81 2HG LYS 81 36.011 12.932 3.408 601 HG3 LYS 81 3HG LYS 81 34.738 12.398 4.507 602 HD2 LYS 81 2HD LYS 81 33.308 11.948 2.508 603 HD3 LYS 81 3HD LYS 81 34.706 12.307 1.493 604 HE2 LYS 81 2HE LYS 81 35.727 10.500 3.277 605 HE3 LYS 81 3HE LYS 81 34.077 9.918 3.060 606 HZ1 LYS 81 3HZ LYS 81 35.443 10.641 0.616 607 HZ2 LYS 81 1HZ LYS 81 34.489 9.289 0.965 608 HZ3 LYS 81 2HZ LYS 81 36.114 9.319 1.431 609 H ALA 82 H ALA 82 33.432 16.625 5.842 610 HA ALA 82 HA ALA 82 33.203 18.788 3.865 611 HB1 ALA 82 1HB ALA 82 31.298 17.451 5.488 612 HB2 ALA 82 2HB ALA 82 31.364 19.139 5.997 613 HB3 ALA 82 3HB ALA 82 31.033 18.738 4.312 614 H VAL 83 H VAL 83 34.549 18.011 6.900 615 HA VAL 83 HA VAL 83 34.540 20.606 8.072 616 HB VAL 83 HB VAL 83 36.336 18.236 8.603 617 HG11 VAL 83 1HG1 VAL 83 36.274 20.965 9.709 618 HG12 VAL 83 2HG1 VAL 83 36.363 19.661 10.894 619 HG13 VAL 83 3HG1 VAL 83 37.593 19.797 9.637 620 HG21 VAL 83 3HG2 VAL 83 34.572 17.370 9.641 621 HG22 VAL 83 1HG2 VAL 83 34.581 18.747 10.743 622 HG23 VAL 83 2HG2 VAL 83 33.610 18.801 9.272 623 H THR 84 H THR 84 35.835 22.295 7.731 624 HA THR 84 HA THR 84 38.522 22.020 6.764 625 HB THR 84 HB THR 84 36.709 23.582 4.945 626 HG1 THR 84 HG1 THR 84 37.581 20.990 4.268 627 HG21 THR 84 3HG2 THR 84 39.540 22.732 4.997 628 HG22 THR 84 1HG2 THR 84 38.808 24.192 4.334 629 HG23 THR 84 2HG2 THR 84 38.737 22.681 3.428 630 H ALA 85 H ALA 85 35.903 24.448 6.705 631 HA ALA 85 HA ALA 85 36.854 25.982 8.835 632 HB1 ALA 85 1HB ALA 85 38.001 26.679 6.167 633 HB2 ALA 85 2HB ALA 85 37.665 27.955 7.339 634 HB3 ALA 85 3HB ALA 85 38.776 26.649 7.752 635 H ASN 86 H ASN 86 34.389 25.084 7.651 636 HA ASN 86 HA ASN 86 33.109 27.618 6.890 637 HB2 ASN 86 2HB ASN 86 32.510 24.749 6.329 638 HB3 ASN 86 3HB ASN 86 31.159 25.875 6.414 639 HD21 ASN 86 1HD2 ASN 86 31.084 27.618 4.938 640 HD22 ASN 86 2HD2 ASN 86 31.926 27.540 3.432 641 H GLU 87 H GLU 87 32.378 28.671 8.625 642 HA GLU 87 HA GLU 87 31.778 27.572 11.112 643 HB2 GLU 87 2HB GLU 87 30.539 29.710 11.524 644 HB3 GLU 87 3HB GLU 87 32.179 29.923 10.929 645 HG2 GLU 87 2HG GLU 87 31.232 31.366 9.512 646 HG3 GLU 87 3HG GLU 87 30.801 29.918 8.605 647 H ASP 88 H ASP 88 29.598 28.417 8.437 648 HA ASP 88 HA ASP 88 27.216 27.630 9.732 649 HB2 ASP 88 2HB ASP 88 26.338 27.484 7.328 650 HB3 ASP 88 3HB ASP 88 26.956 29.044 7.865 651 H LEU 89 H LEU 89 29.406 25.917 7.534 652 HA LEU 89 HA LEU 89 27.918 23.565 7.258 653 HB2 LEU 89 2HB LEU 89 29.967 24.284 5.961 654 HB3 LEU 89 3HB LEU 89 30.922 23.712 7.327 655 HG LEU 89 HG LEU 89 30.189 21.450 6.960 656 HD11 LEU 89 1HD1 LEU 89 28.792 20.981 4.891 657 HD12 LEU 89 2HD1 LEU 89 28.369 22.693 4.919 658 HD13 LEU 89 3HD1 LEU 89 27.949 21.658 6.285 659 HD21 LEU 89 3HD2 LEU 89 32.080 22.365 5.617 660 HD22 LEU 89 1HD2 LEU 89 30.941 22.649 4.300 661 HD23 LEU 89 2HD2 LEU 89 31.248 21.005 4.861 662 H LEU 90 H LEU 90 30.064 24.656 9.799 663 HA LEU 90 HA LEU 90 30.474 22.218 11.119 664 HB2 LEU 90 2HB LEU 90 31.767 24.200 11.632 665 HB3 LEU 90 3HB LEU 90 30.323 25.020 12.222 666 HG LEU 90 HG LEU 90 30.203 23.526 14.119 667 HD11 LEU 90 1HD1 LEU 90 32.364 22.080 12.657 668 HD12 LEU 90 2HD1 LEU 90 30.927 21.445 13.458 669 HD13 LEU 90 3HD1 LEU 90 32.297 22.003 14.418 670 HD21 LEU 90 3HD2 LEU 90 32.842 24.849 13.591 671 HD22 LEU 90 1HD2 LEU 90 32.507 24.041 15.122 672 HD23 LEU 90 2HD2 LEU 90 31.507 25.399 14.605 673 H GLN 91 H GLN 91 27.993 24.715 11.634 674 HA GLN 91 HA GLN 91 26.644 23.314 13.694 675 HB2 GLN 91 2HB GLN 91 26.526 25.841 12.839 676 HB3 GLN 91 3HB GLN 91 25.138 25.208 11.965 677 HG2 GLN 91 2HG GLN 91 24.540 26.212 14.126 678 HG3 GLN 91 3HG GLN 91 24.099 24.509 14.014 679 HE21 GLN 91 1HE2 GLN 91 27.225 26.014 14.687 680 HE22 GLN 91 2HE2 GLN 91 27.434 25.299 16.246 681 H ALA 92 H ALA 92 26.248 23.450 10.195 682 HA ALA 92 HA ALA 92 23.809 22.066 10.021 683 HB1 ALA 92 1HB ALA 92 24.305 23.046 8.029 684 HB2 ALA 92 2HB ALA 92 26.026 22.683 8.150 685 HB3 ALA 92 3HB ALA 92 24.888 21.417 7.687 686 H ILE 93 H ILE 93 27.152 20.930 10.119 687 HA ILE 93 HA ILE 93 26.681 18.233 9.531 688 HB ILE 93 HB ILE 93 28.836 19.518 11.205 689 HG12 ILE 93 2HG1 ILE 93 29.289 18.234 8.550 690 HG13 ILE 93 3HG1 ILE 93 28.488 19.801 8.583 691 HG21 ILE 93 1HG2 ILE 93 28.660 17.257 11.956 692 HG22 ILE 93 2HG2 ILE 93 28.554 16.659 10.301 693 HG23 ILE 93 3HG2 ILE 93 30.060 17.363 10.889 694 HD11 ILE 93 3HD1 ILE 93 30.381 20.753 9.773 695 HD12 ILE 93 1HD1 ILE 93 31.180 19.181 9.777 696 HD13 ILE 93 2HD1 ILE 93 30.888 20.019 8.252 697 H ARG 94 H ARG 94 26.511 20.017 12.563 698 HA ARG 94 HA ARG 94 26.241 17.781 14.269 699 HB2 ARG 94 2HB ARG 94 26.413 20.545 14.581 700 HB3 ARG 94 3HB ARG 94 24.821 20.135 15.206 701 HG2 ARG 94 2HG ARG 94 25.777 18.578 16.767 702 HG3 ARG 94 3HG ARG 94 27.382 18.811 16.072 703 HD2 ARG 94 2HD ARG 94 27.606 20.931 16.970 704 HD3 ARG 94 3HD ARG 94 25.864 21.156 17.132 705 HE ARG 94 HE ARG 94 26.841 19.057 18.802 706 HH11 ARG 94 1HH1 ARG 94 26.523 22.513 18.530 707 HH12 ARG 94 2HH1 ARG 94 26.542 22.781 20.241 708 HH21 ARG 94 1HH2 ARG 94 26.867 19.397 21.058 709 HH22 ARG 94 2HH2 ARG 94 26.739 21.008 21.678 710 H ASN 95 H ASN 95 23.825 19.943 12.804 711 HA ASN 95 HA ASN 95 21.547 18.756 13.888 712 HB2 ASN 95 2HB ASN 95 22.002 20.269 11.319 713 HB3 ASN 95 3HB ASN 95 20.406 19.699 11.798 714 HD21 ASN 95 1HD2 ASN 95 19.655 20.392 13.954 715 HD22 ASN 95 2HD2 ASN 95 20.068 21.984 14.482 716 H ALA 96 H ALA 96 22.940 18.227 10.645 717 HA ALA 96 HA ALA 96 21.300 16.243 9.728 718 HB1 ALA 96 1HB ALA 96 23.447 17.388 8.709 719 HB2 ALA 96 2HB ALA 96 24.215 15.896 9.255 720 HB3 ALA 96 3HB ALA 96 22.868 15.830 8.119 721 H GLU 97 H GLU 97 23.919 15.950 12.056 722 HA GLU 97 HA GLU 97 23.929 13.101 12.123 723 HB2 GLU 97 2HB GLU 97 25.904 14.212 12.848 724 HB3 GLU 97 3HB GLU 97 25.010 15.205 13.991 725 HG2 GLU 97 2HG GLU 97 24.540 13.251 15.353 726 HG3 GLU 97 3HG GLU 97 25.384 12.225 14.194 727 H GLU 98 H GLU 98 22.420 15.611 14.116 728 HA GLU 98 HA GLU 98 21.280 13.819 15.999 729 HB2 GLU 98 2HB GLU 98 20.528 15.680 17.038 730 HB3 GLU 98 3HB GLU 98 21.614 16.502 15.926 731 HG2 GLU 98 2HG GLU 98 19.679 16.749 14.359 732 HG3 GLU 98 3HG GLU 98 18.644 16.136 15.648 733 H ASP 99 H ASP 99 20.217 15.124 12.929 734 HA ASP 99 HA ASP 99 17.533 14.080 13.221 735 HB2 ASP 99 2HB ASP 99 18.970 15.781 11.276 736 HB3 ASP 99 3HB ASP 99 17.695 14.767 10.605 737 H LYS 100 H LYS 100 17.494 11.897 13.260 738 HA LYS 100 HA LYS 100 18.466 10.519 10.858 739 HB2 LYS 100 2HB LYS 100 19.110 9.891 13.710 740 HB3 LYS 100 3HB LYS 100 18.951 8.568 12.563 741 HG2 LYS 100 2HG LYS 100 20.826 9.164 11.398 742 HG3 LYS 100 3HG LYS 100 20.695 10.867 11.846 743 HD2 LYS 100 2HD LYS 100 22.600 9.671 12.925 744 HD3 LYS 100 3HD LYS 100 21.473 10.408 14.066 745 HE2 LYS 100 2HE LYS 100 20.439 8.280 14.498 746 HE3 LYS 100 3HE LYS 100 21.398 7.511 13.234 747 HZ1 LYS 100 3HZ LYS 100 23.370 7.824 14.500 748 HZ2 LYS 100 1HZ LYS 100 22.222 7.127 15.529 749 HZ3 LYS 100 2HZ LYS 100 22.571 8.778 15.647 750 H GLU 101 H GLU 101 15.907 11.253 11.009 751 HA GLU 101 HA GLU 101 13.765 10.497 10.889 752 HB2 GLU 101 2HB GLU 101 15.152 8.620 9.685 753 HB3 GLU 101 3HB GLU 101 14.719 7.668 11.098 754 HG2 GLU 101 2HG GLU 101 12.311 8.337 10.600 755 HG3 GLU 101 3HG GLU 101 12.913 8.868 9.031 756 H SER 102 H SER 102 15.236 10.746 13.530 757 HA SER 102 HA SER 102 13.101 9.614 15.148 758 HB2 SER 102 2HB SER 102 14.994 7.916 15.030 759 HB3 SER 102 3HB SER 102 15.973 9.084 15.917 760 HG SER 102 HG SER 102 15.087 7.910 17.497 761 H ASN 103 H ASN 103 13.550 12.260 14.487 762 HA ASN 103 HA ASN 103 15.110 13.686 16.354 763 HB2 ASN 103 2HB ASN 103 14.542 14.963 14.505 764 HB3 ASN 103 3HB ASN 103 12.876 14.393 14.493 765 HD21 ASN 103 1HD2 ASN 103 11.373 15.336 15.873 766 HD22 ASN 103 2HD2 ASN 103 11.663 16.857 16.640 767 H ALA 104 H ALA 104 14.709 14.412 18.368 768 HA ALA 104 HA ALA 104 13.761 14.493 20.440 769 HB1 ALA 104 1HB ALA 104 11.011 14.832 19.659 770 HB2 ALA 104 2HB ALA 104 12.120 15.989 20.394 771 HB3 ALA 104 3HB ALA 104 12.075 15.803 18.641 772 H LEU 105 H LEU 105 13.881 11.881 19.099 773 HA LEU 105 HA LEU 105 11.587 10.543 20.368 774 HB2 LEU 105 2HB LEU 105 12.865 10.211 17.830 775 HB3 LEU 105 3HB LEU 105 13.018 8.721 18.759 776 HG LEU 105 HG LEU 105 10.427 10.121 18.097 777 HD11 LEU 105 1HD1 LEU 105 11.759 7.681 16.943 778 HD12 LEU 105 2HD1 LEU 105 11.313 9.167 16.105 779 HD13 LEU 105 3HD1 LEU 105 10.058 8.079 16.699 780 HD21 LEU 105 3HD2 LEU 105 10.873 7.421 19.358 781 HD22 LEU 105 1HD2 LEU 105 9.332 8.228 19.069 782 HD23 LEU 105 2HD2 LEU 105 10.459 8.881 20.258 783 H ARG 106 H ARG 106 15.087 10.602 20.092 784 HA ARG 106 HA ARG 106 15.245 8.669 22.311 785 HB2 ARG 106 2HB ARG 106 17.571 8.226 21.509 786 HB3 ARG 106 3HB ARG 106 16.317 7.751 20.372 787 HG2 ARG 106 2HG ARG 106 16.743 9.641 18.991 788 HG3 ARG 106 3HG ARG 106 17.812 10.354 20.200 789 HD2 ARG 106 2HD ARG 106 18.905 7.859 19.769 790 HD3 ARG 106 3HD ARG 106 18.364 8.348 18.164 791 HE ARG 106 HE ARG 106 19.679 10.533 19.104 792 HH11 ARG 106 1HH1 ARG 106 20.503 7.170 18.738 793 HH12 ARG 106 2HH1 ARG 106 22.189 7.476 18.487 794 HH21 ARG 106 1HH2 ARG 106 21.898 10.948 18.775 795 HH22 ARG 106 2HH2 ARG 106 22.982 9.625 18.509 796 H PHE 107 H PHE 107 16.265 11.775 21.081 797 HA PHE 107 HA PHE 107 18.189 12.334 23.093 798 HB2 PHE 107 2HB PHE 107 17.200 13.611 20.766 799 HB3 PHE 107 3HB PHE 107 16.988 14.741 22.099 800 HD1 PHE 107 HD2 PHE 107 19.638 12.255 21.250 801 HD2 PHE 107 HD1 PHE 107 18.655 16.312 22.081 802 HE1 PHE 107 HE2 PHE 107 22.019 12.857 21.112 803 HE2 PHE 107 HE1 PHE 107 21.035 16.920 21.944 804 HZ PHE 107 HZ PHE 107 22.721 15.192 21.460 805 H GLU 108 H GLU 108 17.678 14.655 24.266 806 HA GLU 108 HA GLU 108 15.796 13.958 26.303 807 HB2 GLU 108 2HB GLU 108 17.820 16.049 25.866 808 HB3 GLU 108 3HB GLU 108 16.433 16.564 26.815 809 HG2 GLU 108 2HG GLU 108 17.379 13.994 27.700 810 HG3 GLU 108 3HG GLU 108 18.679 15.185 27.708 811 HA PRO 109 HA PRO 109 12.171 15.887 24.729 812 HB2 PRO 109 2HB PRO 109 10.877 16.380 27.064 813 HB3 PRO 109 3HB PRO 109 11.034 14.760 26.377 814 HG2 PRO 109 2HG PRO 109 12.631 16.058 28.550 815 HG3 PRO 109 3HG PRO 109 11.989 14.408 28.468 816 HD2 PRO 109 2HD PRO 109 14.576 14.993 27.925 817 HD3 PRO 109 3HD PRO 109 13.706 13.672 27.118 818 H THR 110 H THR 110 10.690 17.867 25.448 819 HA THR 110 HA THR 110 10.529 20.142 25.353 820 HB THR 110 HB THR 110 11.359 21.335 27.218 821 HG1 THR 110 HG1 THR 110 13.197 19.276 27.852 822 HG21 THR 110 3HG2 THR 110 9.999 18.995 27.545 823 HG22 THR 110 1HG2 THR 110 10.312 20.161 28.830 824 HG23 THR 110 2HG2 THR 110 11.367 18.762 28.632 Start of MODEL 16 1 H1 MET 1 H MET 1 10.134 1.668 -9.959 2 HA MET 1 HA MET 1 11.793 0.082 -9.814 3 HB2 MET 1 2HB MET 1 13.394 1.834 -11.687 4 HB3 MET 1 3HB MET 1 13.762 0.175 -11.234 5 HG2 MET 1 2HG MET 1 12.639 -0.486 -13.017 6 HG3 MET 1 3HG MET 1 11.168 0.090 -12.237 7 HE1 MET 1 3HE MET 1 14.217 2.293 -13.624 8 HE2 MET 1 1HE MET 1 14.075 0.863 -14.646 9 HE3 MET 1 2HE MET 1 13.676 2.453 -15.296 10 H LEU 2 H LEU 2 11.725 1.055 -7.636 11 HA LEU 2 HA LEU 2 14.342 1.670 -6.728 12 HB2 LEU 2 2HB LEU 2 13.863 3.898 -5.795 13 HB3 LEU 2 3HB LEU 2 13.863 3.872 -7.558 14 HG LEU 2 HG LEU 2 11.253 3.592 -7.188 15 HD11 LEU 2 1HD1 LEU 2 12.247 4.889 -4.665 16 HD12 LEU 2 2HD1 LEU 2 11.176 3.498 -4.831 17 HD13 LEU 2 3HD1 LEU 2 10.606 5.107 -5.274 18 HD21 LEU 2 3HD2 LEU 2 12.395 6.326 -6.772 19 HD22 LEU 2 1HD2 LEU 2 11.033 5.821 -7.773 20 HD23 LEU 2 2HD2 LEU 2 12.683 5.456 -8.280 21 H GLN 3 H GLN 3 14.395 2.032 -4.353 22 HA GLN 3 HA GLN 3 12.652 0.206 -3.048 23 HB2 GLN 3 2HB GLN 3 14.705 2.141 -1.972 24 HB3 GLN 3 3HB GLN 3 13.837 0.984 -0.971 25 HG2 GLN 3 2HG GLN 3 14.864 -0.852 -2.016 26 HG3 GLN 3 3HG GLN 3 15.460 0.139 -3.347 27 HE21 GLN 3 1HE2 GLN 3 17.555 0.448 -3.259 28 HE22 GLN 3 2HE2 GLN 3 18.507 0.622 -1.828 29 H GLU 4 H GLU 4 10.952 0.546 -1.684 30 HA GLU 4 HA GLU 4 9.435 2.911 -2.017 31 HB2 GLU 4 2HB GLU 4 9.051 0.318 -0.898 32 HB3 GLU 4 3HB GLU 4 8.555 1.504 0.300 33 HG2 GLU 4 2HG GLU 4 6.939 2.433 -1.131 34 HG3 GLU 4 3HG GLU 4 7.601 1.608 -2.541 35 H ARG 5 H ARG 5 11.103 1.589 0.844 36 HA ARG 5 HA ARG 5 11.943 2.582 2.710 37 HB2 ARG 5 2HB ARG 5 12.504 4.361 0.550 38 HB3 ARG 5 3HB ARG 5 12.082 5.323 1.961 39 HG2 ARG 5 2HG ARG 5 14.217 3.202 1.844 40 HG3 ARG 5 3HG ARG 5 14.479 4.947 1.831 41 HD2 ARG 5 2HD ARG 5 13.129 3.428 4.058 42 HD3 ARG 5 3HD ARG 5 14.827 3.903 4.056 43 HE ARG 5 HE ARG 5 12.993 6.086 3.657 44 HH11 ARG 5 1HH1 ARG 5 14.685 4.138 5.994 45 HH12 ARG 5 2HH1 ARG 5 14.621 5.343 7.238 46 HH21 ARG 5 1HH2 ARG 5 12.903 7.680 5.286 47 HH22 ARG 5 2HH2 ARG 5 13.606 7.357 6.834 48 H VAL 6 H VAL 6 11.533 4.464 4.304 49 HA VAL 6 HA VAL 6 8.623 4.887 4.428 50 HB VAL 6 HB VAL 6 9.569 3.553 6.274 51 HG11 VAL 6 1HG1 VAL 6 11.181 6.046 6.787 52 HG12 VAL 6 2HG1 VAL 6 10.974 4.750 7.967 53 HG13 VAL 6 3HG1 VAL 6 11.784 4.426 6.434 54 HG21 VAL 6 3HG2 VAL 6 7.592 5.121 6.527 55 HG22 VAL 6 1HG2 VAL 6 8.408 4.643 8.016 56 HG23 VAL 6 2HG2 VAL 6 8.703 6.237 7.321 57 H PHE 7 H PHE 7 7.796 6.900 5.055 58 HA PHE 7 HA PHE 7 9.690 9.136 4.754 59 HB2 PHE 7 2HB PHE 7 6.830 8.809 3.883 60 HB3 PHE 7 3HB PHE 7 7.533 10.409 4.097 61 HD1 PHE 7 HD1 PHE 7 7.774 7.264 2.191 62 HD2 PHE 7 HD2 PHE 7 9.018 11.323 2.500 63 HE1 PHE 7 HE1 PHE 7 8.727 7.141 -0.075 64 HE2 PHE 7 HE2 PHE 7 9.972 11.207 0.235 65 HZ PHE 7 HZ PHE 7 9.826 9.114 -1.056 66 H HIS 8 H HIS 8 9.944 10.450 6.433 67 HA HIS 8 HA HIS 8 7.805 10.621 8.442 68 HB2 HIS 8 2HB HIS 8 10.115 9.233 8.897 69 HB3 HIS 8 3HB HIS 8 10.542 10.830 9.505 70 HD1 HIS 8 HD1 HIS 8 9.599 11.505 11.739 71 HD2 HIS 8 HD2 HIS 8 7.879 8.027 10.252 72 HE1 HIS 8 HE1 HIS 8 8.202 10.588 13.619 73 H ILE 9 H ILE 9 8.242 12.509 9.983 74 HA ILE 9 HA ILE 9 8.336 14.887 8.488 75 HB ILE 9 HB ILE 9 7.121 14.790 10.581 76 HG12 ILE 9 2HG1 ILE 9 9.166 16.710 11.439 77 HG13 ILE 9 3HG1 ILE 9 8.707 16.877 9.748 78 HG21 ILE 9 1HG2 ILE 9 9.780 14.589 11.982 79 HG22 ILE 9 2HG2 ILE 9 8.179 14.581 12.720 80 HG23 ILE 9 3HG2 ILE 9 8.693 13.227 11.713 81 HD11 ILE 9 3HD1 ILE 9 6.362 17.076 10.419 82 HD12 ILE 9 1HD1 ILE 9 6.844 16.946 12.110 83 HD13 ILE 9 2HD1 ILE 9 7.372 18.326 11.145 84 H ASN 10 H ASN 10 10.758 13.276 10.496 85 HA ASN 10 HA ASN 10 12.694 15.330 10.389 86 HB2 ASN 10 2HB ASN 10 13.382 12.412 10.637 87 HB3 ASN 10 3HB ASN 10 14.176 13.796 11.381 88 HD21 ASN 10 1HD2 ASN 10 11.491 11.608 11.526 89 HD22 ASN 10 2HD2 ASN 10 10.972 12.026 13.120 90 H ASP 11 H ASP 11 12.283 12.364 8.474 91 HA ASP 11 HA ASP 11 13.279 11.663 6.536 92 HB2 ASP 11 2HB ASP 11 11.738 13.794 6.020 93 HB3 ASP 11 3HB ASP 11 13.286 14.445 5.488 94 H ARG 12 H ARG 12 15.336 11.132 7.315 95 HA ARG 12 HA ARG 12 17.425 13.099 7.459 96 HB2 ARG 12 2HB ARG 12 18.893 11.094 7.827 97 HB3 ARG 12 3HB ARG 12 17.568 11.258 8.971 98 HG2 ARG 12 2HG ARG 12 16.718 9.287 8.404 99 HG3 ARG 12 3HG ARG 12 16.811 9.661 6.682 100 HD2 ARG 12 2HD ARG 12 18.309 7.964 6.706 101 HD3 ARG 12 3HD ARG 12 19.409 9.258 7.179 102 HE ARG 12 HE ARG 12 19.577 8.312 9.259 103 HH11 ARG 12 1HH1 ARG 12 16.863 6.923 7.579 104 HH12 ARG 12 2HH1 ARG 12 16.585 5.697 8.772 105 HH21 ARG 12 1HH2 ARG 12 19.221 6.703 10.837 106 HH22 ARG 12 2HH2 ARG 12 17.927 5.574 10.625 107 H VAL 13 H VAL 13 18.070 14.002 5.600 108 HA VAL 13 HA VAL 13 19.140 12.248 3.528 109 HB VAL 13 HB VAL 13 18.094 13.746 1.759 110 HG11 VAL 13 1HG1 VAL 13 16.086 12.125 3.303 111 HG12 VAL 13 2HG1 VAL 13 16.186 12.372 1.559 112 HG13 VAL 13 3HG1 VAL 13 17.397 11.389 2.382 113 HG21 VAL 13 3HG2 VAL 13 16.288 15.115 2.251 114 HG22 VAL 13 1HG2 VAL 13 15.990 14.333 3.804 115 HG23 VAL 13 2HG2 VAL 13 17.372 15.411 3.610 116 H TRP 14 H TRP 14 20.248 13.659 1.785 117 HA TRP 14 HA TRP 14 21.618 15.891 3.138 118 HB2 TRP 14 2HB TRP 14 22.679 13.502 1.936 119 HB3 TRP 14 3HB TRP 14 23.276 14.916 1.071 120 HD1 TRP 14 HD1 TRP 14 25.459 15.820 2.028 121 HE1 TRP 14 HE1 TRP 14 26.611 15.830 4.330 122 HE3 TRP 14 HE3 TRP 14 21.855 13.424 4.750 123 HZ2 TRP 14 HZ2 TRP 14 26.065 14.939 6.952 124 HZ3 TRP 14 HZ3 TRP 14 22.248 13.042 7.149 125 HH2 TRP 14 HH2 TRP 14 24.310 13.784 8.225 126 H LEU 15 H LEU 15 21.721 17.802 2.106 127 HA LEU 15 HA LEU 15 20.580 17.929 -0.604 128 HB2 LEU 15 2HB LEU 15 19.498 19.125 1.415 129 HB3 LEU 15 3HB LEU 15 20.827 20.271 1.248 130 HG LEU 15 HG LEU 15 19.171 19.683 -1.153 131 HD11 LEU 15 1HD1 LEU 15 18.086 20.673 1.330 132 HD12 LEU 15 2HD1 LEU 15 17.266 20.275 -0.179 133 HD13 LEU 15 3HD1 LEU 15 17.961 21.879 0.049 134 HD21 LEU 15 3HD2 LEU 15 19.699 21.948 -1.704 135 HD22 LEU 15 1HD2 LEU 15 21.184 21.159 -1.172 136 HD23 LEU 15 2HD2 LEU 15 20.328 22.252 -0.084 137 H LYS 16 H LYS 16 21.773 18.688 -2.239 138 HA LYS 16 HA LYS 16 24.528 19.445 -1.697 139 HB2 LYS 16 2HB LYS 16 24.142 17.815 -3.451 140 HB3 LYS 16 3HB LYS 16 23.055 18.919 -4.284 141 HG2 LYS 16 2HG LYS 16 25.180 18.887 -5.402 142 HG3 LYS 16 3HG LYS 16 24.944 20.462 -4.643 143 HD2 LYS 16 2HD LYS 16 27.205 19.753 -4.251 144 HD3 LYS 16 3HD LYS 16 26.321 19.677 -2.725 145 HE2 LYS 16 2HE LYS 16 26.934 17.553 -2.520 146 HE3 LYS 16 3HE LYS 16 25.998 17.172 -3.965 147 HZ1 LYS 16 3HZ LYS 16 28.080 17.954 -5.208 148 HZ2 LYS 16 1HZ LYS 16 28.115 16.431 -4.473 149 HZ3 LYS 16 2HZ LYS 16 28.882 17.744 -3.733 150 H THR 17 H THR 17 24.957 21.508 -1.294 151 HA THR 17 HA THR 17 23.229 23.627 -2.205 152 HB THR 17 HB THR 17 25.909 24.106 -0.943 153 HG1 THR 17 HG1 THR 17 23.589 23.015 0.255 154 HG21 THR 17 3HG2 THR 17 23.321 25.483 -0.321 155 HG22 THR 17 1HG2 THR 17 24.236 25.910 -1.766 156 HG23 THR 17 2HG2 THR 17 24.970 26.090 -0.172 157 H GLY 18 H GLY 18 26.279 22.225 -3.153 158 HA2 GLY 18 2HA GLY 18 26.215 23.681 -5.640 159 HA3 GLY 18 3HA GLY 18 27.539 24.159 -4.587 160 H ALA 19 H ALA 19 29.296 22.834 -4.353 161 HA ALA 19 HA ALA 19 29.267 20.341 -5.926 162 HB1 ALA 19 1HB ALA 19 31.781 21.913 -5.601 163 HB2 ALA 19 2HB ALA 19 31.302 20.806 -6.888 164 HB3 ALA 19 3HB ALA 19 30.593 22.418 -6.802 165 H ASN 20 H ASN 20 31.117 22.053 -3.399 166 HA ASN 20 HA ASN 20 31.537 19.450 -2.084 167 HB2 ASN 20 2HB ASN 20 33.353 21.656 -2.679 168 HB3 ASN 20 3HB ASN 20 33.391 21.193 -0.981 169 HD21 ASN 20 1HD2 ASN 20 33.715 18.894 -0.518 170 HD22 ASN 20 2HD2 ASN 20 34.734 17.978 -1.571 171 H THR 21 H THR 21 29.340 21.539 -1.860 172 HA THR 21 HA THR 21 29.461 21.798 1.070 173 HB THR 21 HB THR 21 27.790 23.853 -0.030 174 HG1 THR 21 HG1 THR 21 29.571 25.046 -1.024 175 HG21 THR 21 3HG2 THR 21 30.227 23.693 1.701 176 HG22 THR 21 1HG2 THR 21 28.593 24.204 2.119 177 HG23 THR 21 2HG2 THR 21 29.629 25.260 1.158 178 H TRP 22 H TRP 22 27.860 20.742 2.025 179 HA TRP 22 HA TRP 22 25.259 20.572 0.669 180 HB2 TRP 22 2HB TRP 22 25.099 18.204 1.624 181 HB3 TRP 22 3HB TRP 22 26.159 18.433 0.236 182 HD1 TRP 22 HD1 TRP 22 26.720 18.682 4.083 183 HE1 TRP 22 HE1 TRP 22 28.878 17.397 4.642 184 HE3 TRP 22 HE3 TRP 22 27.965 17.103 -0.617 185 HZ2 TRP 22 HZ2 TRP 22 30.849 15.911 3.272 186 HZ3 TRP 22 HZ3 TRP 22 30.003 15.754 -0.907 187 HH2 TRP 22 HH2 TRP 22 31.414 15.172 0.999 188 H TRP 23 H TRP 23 23.456 20.163 2.102 189 HA TRP 23 HA TRP 23 23.979 20.632 4.945 190 HB2 TRP 23 2HB TRP 23 22.234 22.330 3.167 191 HB3 TRP 23 3HB TRP 23 22.012 22.272 4.914 192 HD1 TRP 23 HD1 TRP 23 25.095 22.304 5.761 193 HE1 TRP 23 HE1 TRP 23 26.447 24.477 5.482 194 HE3 TRP 23 HE3 TRP 23 22.180 24.632 2.264 195 HZ2 TRP 23 HZ2 TRP 23 26.298 26.862 3.980 196 HZ3 TRP 23 HZ3 TRP 23 22.855 26.858 1.459 197 HH2 TRP 23 HH2 TRP 23 24.871 27.948 2.301 198 HA PRO 24 HA PRO 24 20.824 17.661 5.630 199 HB2 PRO 24 2HB PRO 24 19.736 18.546 7.954 200 HB3 PRO 24 3HB PRO 24 21.335 17.798 7.866 201 HG2 PRO 24 2HG PRO 24 20.605 20.698 7.989 202 HG3 PRO 24 3HG PRO 24 21.892 19.831 8.846 203 HD2 PRO 24 2HD PRO 24 22.362 21.324 6.636 204 HD3 PRO 24 3HD PRO 24 23.304 19.869 7.024 205 H ALA 25 H ALA 25 18.740 17.293 5.075 206 HA ALA 25 HA ALA 25 16.921 19.602 4.904 207 HB1 ALA 25 1HB ALA 25 17.172 19.446 2.679 208 HB2 ALA 25 2HB ALA 25 17.820 17.807 2.763 209 HB3 ALA 25 3HB ALA 25 16.078 18.070 2.830 210 H LYS 26 H LYS 26 14.927 19.277 5.694 211 HA LYS 26 HA LYS 26 14.086 16.512 6.257 212 HB2 LYS 26 2HB LYS 26 13.167 17.207 8.387 213 HB3 LYS 26 3HB LYS 26 14.874 17.628 8.322 214 HG2 LYS 26 2HG LYS 26 14.183 19.615 9.077 215 HG3 LYS 26 3HG LYS 26 13.738 19.910 7.395 216 HD2 LYS 26 2HD LYS 26 11.620 20.151 8.023 217 HD3 LYS 26 3HD LYS 26 11.611 18.476 8.578 218 HE2 LYS 26 2HE LYS 26 12.060 19.064 10.769 219 HE3 LYS 26 3HE LYS 26 12.772 20.611 10.316 220 HZ1 LYS 26 3HZ LYS 26 10.101 20.599 9.486 221 HZ2 LYS 26 1HZ LYS 26 10.824 21.567 10.670 222 HZ3 LYS 26 2HZ LYS 26 10.138 20.081 11.096 223 H VAL 27 H VAL 27 12.126 16.005 5.518 224 HA VAL 27 HA VAL 27 10.502 18.098 4.311 225 HB VAL 27 HB VAL 27 9.984 15.125 4.287 226 HG11 VAL 27 1HG1 VAL 27 9.102 16.432 1.945 227 HG12 VAL 27 2HG1 VAL 27 8.125 15.683 3.209 228 HG13 VAL 27 3HG1 VAL 27 8.548 17.392 3.316 229 HG21 VAL 27 3HG2 VAL 27 11.956 16.737 2.832 230 HG22 VAL 27 1HG2 VAL 27 11.899 14.998 3.122 231 HG23 VAL 27 2HG2 VAL 27 10.953 15.705 1.812 232 H THR 28 H THR 28 8.864 19.008 5.345 233 HA THR 28 HA THR 28 7.923 17.956 7.855 234 HB THR 28 HB THR 28 8.145 20.351 7.659 235 HG1 THR 28 HG1 THR 28 6.064 20.912 8.375 236 HG21 THR 28 3HG2 THR 28 6.273 21.430 6.112 237 HG22 THR 28 1HG2 THR 28 6.518 19.938 5.206 238 HG23 THR 28 2HG2 THR 28 7.875 21.028 5.493 239 H SER 29 H SER 29 7.178 17.291 4.698 240 HA SER 29 HA SER 29 5.502 16.127 3.691 241 HB2 SER 29 2HB SER 29 5.667 14.969 6.085 242 HB3 SER 29 3HB SER 29 4.055 15.663 6.257 243 HG SER 29 HG SER 29 4.908 13.993 4.124 244 H VAL 30 H VAL 30 5.179 18.722 3.437 245 HA VAL 30 HA VAL 30 2.303 19.160 3.906 246 HB VAL 30 HB VAL 30 4.419 21.316 3.910 247 HG11 VAL 30 1HG1 VAL 30 2.402 22.580 4.942 248 HG12 VAL 30 2HG1 VAL 30 2.479 22.357 3.193 249 HG13 VAL 30 3HG1 VAL 30 1.439 21.320 4.171 250 HG21 VAL 30 3HG2 VAL 30 4.129 21.472 6.281 251 HG22 VAL 30 1HG2 VAL 30 2.844 20.264 6.254 252 HG23 VAL 30 2HG2 VAL 30 4.504 19.794 5.889 253 H THR 31 H THR 31 1.299 19.042 2.015 254 HA THR 31 HA THR 31 2.550 19.294 -0.495 255 HB THR 31 HB THR 31 0.396 18.065 -0.031 256 HG1 THR 31 HG1 THR 31 -0.562 19.024 -2.105 257 HG21 THR 31 3HG2 THR 31 -1.479 19.124 0.582 258 HG22 THR 31 1HG2 THR 31 -1.259 20.385 -0.630 259 HG23 THR 31 2HG2 THR 31 -0.451 20.513 0.932 260 H GLY 32 H GLY 32 1.018 20.862 -2.092 261 HA2 GLY 32 2HA GLY 32 0.761 23.528 -1.031 262 HA3 GLY 32 3HA GLY 32 2.170 23.327 -2.062 263 H VAL 33 H VAL 33 -1.081 21.928 -2.341 264 HA VAL 33 HA VAL 33 -1.660 23.599 -4.648 265 HB VAL 33 HB VAL 33 -0.508 21.860 -5.786 266 HG11 VAL 33 1HG1 VAL 33 -2.237 19.792 -4.452 267 HG12 VAL 33 2HG1 VAL 33 -0.789 19.542 -5.430 268 HG13 VAL 33 3HG1 VAL 33 -0.657 20.262 -3.825 269 HG21 VAL 33 3HG2 VAL 33 -2.072 21.617 -7.363 270 HG22 VAL 33 1HG2 VAL 33 -3.107 20.665 -6.299 271 HG23 VAL 33 2HG2 VAL 33 -3.171 22.426 -6.247 272 H GLU 34 H GLU 34 -2.721 20.720 -2.836 273 HA GLU 34 HA GLU 34 -5.033 21.752 -1.780 274 HB2 GLU 34 2HB GLU 34 -6.726 20.653 -3.388 275 HB3 GLU 34 3HB GLU 34 -6.039 22.209 -3.834 276 HG2 GLU 34 2HG GLU 34 -5.118 21.387 -5.678 277 HG3 GLU 34 3HG GLU 34 -4.454 19.996 -4.823 278 H GLY 35 H GLY 35 -3.014 19.844 -1.194 279 HA2 GLY 35 2HA GLY 35 -2.916 17.897 0.043 280 HA3 GLY 35 3HA GLY 35 -4.656 17.742 -0.147 281 H VAL 36 H VAL 36 -2.391 18.023 -2.815 282 HA VAL 36 HA VAL 36 -3.340 15.477 -3.853 283 HB VAL 36 HB VAL 36 -1.467 17.490 -5.106 284 HG11 VAL 36 1HG1 VAL 36 -2.077 16.279 -7.212 285 HG12 VAL 36 2HG1 VAL 36 -1.089 15.348 -6.085 286 HG13 VAL 36 3HG1 VAL 36 -2.821 15.035 -6.208 287 HG21 VAL 36 3HG2 VAL 36 -4.199 17.715 -4.638 288 HG22 VAL 36 1HG2 VAL 36 -3.236 18.667 -5.768 289 HG23 VAL 36 2HG2 VAL 36 -4.074 17.219 -6.326 290 H ASP 37 H ASP 37 -0.646 16.720 -2.161 291 HA ASP 37 HA ASP 37 1.461 15.153 -3.046 292 HB2 ASP 37 2HB ASP 37 1.840 16.917 -1.451 293 HB3 ASP 37 3HB ASP 37 0.814 16.125 -0.259 294 H GLY 38 H GLY 38 -1.328 14.267 -1.179 295 HA2 GLY 38 2HA GLY 38 -0.167 11.681 -0.456 296 HA3 GLY 38 3HA GLY 38 -1.716 12.311 0.085 297 H ARG 39 H ARG 39 -2.047 13.035 -2.943 298 HA ARG 39 HA ARG 39 -3.347 10.504 -3.596 299 HB2 ARG 39 2HB ARG 39 -3.543 13.248 -4.848 300 HB3 ARG 39 3HB ARG 39 -4.416 11.834 -5.424 301 HG2 ARG 39 2HG ARG 39 -5.596 11.672 -3.311 302 HG3 ARG 39 3HG ARG 39 -4.683 13.043 -2.679 303 HD2 ARG 39 2HD ARG 39 -6.089 14.487 -3.620 304 HD3 ARG 39 3HD ARG 39 -5.894 13.721 -5.196 305 HE ARG 39 HE ARG 39 -8.059 13.346 -3.339 306 HH11 ARG 39 1HH1 ARG 39 -6.301 11.983 -6.017 307 HH12 ARG 39 2HH1 ARG 39 -7.614 10.978 -6.536 308 HH21 ARG 39 1HH2 ARG 39 -9.795 12.028 -4.013 309 HH22 ARG 39 2HH2 ARG 39 -9.601 11.005 -5.396 310 H SER 40 H SER 40 -1.891 12.893 -5.775 311 HA SER 40 HA SER 40 0.339 11.466 -6.593 312 HB2 SER 40 2HB SER 40 -2.192 10.512 -7.775 313 HB3 SER 40 3HB SER 40 -0.902 10.832 -8.933 314 HG SER 40 HG SER 40 -0.746 8.711 -8.200 315 H SER 41 H SER 41 1.541 12.667 -7.978 316 HA SER 41 HA SER 41 0.856 15.327 -8.469 317 HB2 SER 41 2HB SER 41 3.171 14.726 -8.420 318 HB3 SER 41 3HB SER 41 2.960 13.554 -9.720 319 HG SER 41 HG SER 41 3.774 15.924 -10.068 320 H GLU 42 H GLU 42 0.051 12.477 -10.193 321 HA GLU 42 HA GLU 42 -0.256 13.439 -12.795 322 HB2 GLU 42 2HB GLU 42 -1.768 11.576 -13.151 323 HB3 GLU 42 3HB GLU 42 -0.404 11.056 -12.172 324 HG2 GLU 42 2HG GLU 42 -1.831 10.251 -10.693 325 HG3 GLU 42 3HG GLU 42 -2.365 11.898 -10.361 326 H THR 43 H THR 43 -2.087 14.061 -9.951 327 HA THR 43 HA THR 43 -4.543 14.793 -11.174 328 HB THR 43 HB THR 43 -3.584 15.968 -8.579 329 HG1 THR 43 HG1 THR 43 -4.763 13.393 -8.818 330 HG21 THR 43 3HG2 THR 43 -6.185 15.059 -8.334 331 HG22 THR 43 1HG2 THR 43 -6.112 15.668 -9.987 332 HG23 THR 43 2HG2 THR 43 -5.690 16.724 -8.639 333 H GLY 44 H GLY 44 -2.037 16.865 -9.686 334 HA2 GLY 44 2HA GLY 44 -2.419 18.806 -11.839 335 HA3 GLY 44 3HA GLY 44 -2.769 19.345 -10.203 336 H THR 45 H THR 45 -1.117 19.875 -8.846 337 HA THR 45 HA THR 45 1.628 19.385 -9.762 338 HB THR 45 HB THR 45 2.032 21.824 -8.801 339 HG1 THR 45 HG1 THR 45 -0.525 22.140 -9.993 340 HG21 THR 45 3HG2 THR 45 2.249 20.753 -11.214 341 HG22 THR 45 1HG2 THR 45 2.385 22.493 -10.964 342 HG23 THR 45 2HG2 THR 45 0.869 21.801 -11.541 343 H SER 46 H SER 46 1.182 17.751 -7.983 344 HA SER 46 HA SER 46 0.946 18.598 -5.293 345 HB2 SER 46 2HB SER 46 0.457 16.392 -5.273 346 HB3 SER 46 3HB SER 46 1.416 16.075 -6.718 347 HG SER 46 HG SER 46 2.397 15.034 -5.019 348 H THR 47 H THR 47 2.395 19.925 -4.406 349 HA THR 47 HA THR 47 5.253 19.285 -4.748 350 HB THR 47 HB THR 47 5.811 21.602 -4.531 351 HG1 THR 47 HG1 THR 47 3.027 22.068 -4.115 352 HG21 THR 47 3HG2 THR 47 3.467 21.885 -6.330 353 HG22 THR 47 1HG2 THR 47 4.633 20.620 -6.713 354 HG23 THR 47 2HG2 THR 47 5.159 22.300 -6.603 355 H VAL 48 H VAL 48 6.300 18.707 -2.964 356 HA VAL 48 HA VAL 48 4.991 19.082 -0.375 357 HB VAL 48 HB VAL 48 7.403 17.399 -1.070 358 HG11 VAL 48 1HG1 VAL 48 5.778 17.704 1.443 359 HG12 VAL 48 2HG1 VAL 48 6.812 16.307 1.139 360 HG13 VAL 48 3HG1 VAL 48 7.515 17.923 1.230 361 HG21 VAL 48 3HG2 VAL 48 5.796 16.188 -2.117 362 HG22 VAL 48 1HG2 VAL 48 5.503 15.611 -0.476 363 HG23 VAL 48 2HG2 VAL 48 4.490 16.884 -1.157 364 H THR 49 H THR 49 5.509 20.877 0.684 365 HA THR 49 HA THR 49 7.991 22.260 0.230 366 HB THR 49 HB THR 49 5.875 22.833 2.313 367 HG1 THR 49 HG1 THR 49 5.417 24.527 0.585 368 HG21 THR 49 3HG2 THR 49 8.114 24.502 1.167 369 HG22 THR 49 1HG2 THR 49 7.943 23.951 2.833 370 HG23 THR 49 2HG2 THR 49 6.816 25.139 2.177 371 H VAL 50 H VAL 50 9.820 22.097 1.359 372 HA VAL 50 HA VAL 50 9.736 20.703 3.957 373 HB VAL 50 HB VAL 50 11.756 19.581 3.508 374 HG11 VAL 50 1HG1 VAL 50 9.680 18.779 2.285 375 HG12 VAL 50 2HG1 VAL 50 10.386 19.493 0.834 376 HG13 VAL 50 3HG1 VAL 50 11.228 18.194 1.679 377 HG21 VAL 50 3HG2 VAL 50 12.040 21.475 1.192 378 HG22 VAL 50 1HG2 VAL 50 13.123 21.248 2.565 379 HG23 VAL 50 2HG2 VAL 50 12.997 20.000 1.326 380 H LEU 51 H LEU 51 11.120 21.434 5.574 381 HA LEU 51 HA LEU 51 12.649 23.877 5.018 382 HB2 LEU 51 2HB LEU 51 10.252 24.120 6.111 383 HB3 LEU 51 3HB LEU 51 11.139 23.700 7.574 384 HG LEU 51 HG LEU 51 12.150 25.927 5.867 385 HD11 LEU 51 1HD1 LEU 51 9.647 26.194 6.224 386 HD12 LEU 51 2HD1 LEU 51 10.678 27.515 6.772 387 HD13 LEU 51 3HD1 LEU 51 10.021 26.368 7.939 388 HD21 LEU 51 3HD2 LEU 51 12.156 25.266 8.805 389 HD22 LEU 51 1HD2 LEU 51 12.720 26.805 8.151 390 HD23 LEU 51 2HD2 LEU 51 13.530 25.305 7.698 391 H THR 52 H THR 52 14.680 23.364 5.483 392 HA THR 52 HA THR 52 15.435 21.274 7.240 393 HB THR 52 HB THR 52 17.662 21.796 6.746 394 HG1 THR 52 HG1 THR 52 18.254 23.919 5.979 395 HG21 THR 52 3HG2 THR 52 16.039 21.382 4.731 396 HG22 THR 52 1HG2 THR 52 17.717 21.836 4.438 397 HG23 THR 52 2HG2 THR 52 16.443 23.050 4.323 398 H TYR 53 H TYR 53 17.496 22.178 8.761 399 HA TYR 53 HA TYR 53 16.100 23.800 10.776 400 HB2 TYR 53 2HB TYR 53 17.907 21.484 10.902 401 HB3 TYR 53 3HB TYR 53 18.274 22.750 12.069 402 HD1 TYR 53 HD2 TYR 53 15.427 20.700 10.802 403 HD2 TYR 53 HD1 TYR 53 17.117 22.818 14.082 404 HE1 TYR 53 HE2 TYR 53 13.627 19.870 12.258 405 HE2 TYR 53 HE1 TYR 53 15.323 21.993 15.548 406 HH TYR 53 HH TYR 53 12.546 20.350 14.306 407 HA PRO 54 HA PRO 54 18.931 27.131 10.359 408 HB2 PRO 54 2HB PRO 54 18.987 28.069 12.907 409 HB3 PRO 54 3HB PRO 54 17.597 28.280 11.835 410 HG2 PRO 54 2HG PRO 54 18.028 26.260 14.002 411 HG3 PRO 54 3HG PRO 54 16.572 27.197 13.620 412 HD2 PRO 54 2HD PRO 54 16.883 24.615 12.864 413 HD3 PRO 54 3HD PRO 54 15.965 25.789 11.899 414 H GLY 55 H GLY 55 21.092 27.515 10.465 415 HA2 GLY 55 2HA GLY 55 22.690 25.581 11.991 416 HA3 GLY 55 3HA GLY 55 23.250 26.515 10.612 417 H THR 56 H THR 56 25.008 27.481 11.503 418 HA THR 56 HA THR 56 24.677 28.955 14.012 419 HB THR 56 HB THR 56 26.632 27.489 13.874 420 HG1 THR 56 HG1 THR 56 27.666 30.110 13.698 421 HG21 THR 56 3HG2 THR 56 27.478 29.250 11.570 422 HG22 THR 56 1HG2 THR 56 26.991 27.559 11.457 423 HG23 THR 56 2HG2 THR 56 28.464 27.997 12.323 424 H GLN 57 H GLN 57 25.322 29.415 10.601 425 HA GLN 57 HA GLN 57 25.181 32.326 11.029 426 HB2 GLN 57 2HB GLN 57 27.183 30.733 9.628 427 HB3 GLN 57 3HB GLN 57 26.501 31.999 8.616 428 HG2 GLN 57 2HG GLN 57 27.035 33.174 11.112 429 HG3 GLN 57 3HG GLN 57 28.443 32.198 10.698 430 HE21 GLN 57 1HE2 GLN 57 28.197 35.083 10.847 431 HE22 GLN 57 2HE2 GLN 57 28.615 35.690 9.285 432 H ASN 58 H ASN 58 24.328 29.575 9.038 433 HA ASN 58 HA ASN 58 22.648 31.270 7.339 434 HB2 ASN 58 2HB ASN 58 24.267 29.135 6.715 435 HB3 ASN 58 3HB ASN 58 22.671 28.392 6.774 436 HD21 ASN 58 1HD2 ASN 58 22.347 28.063 4.647 437 HD22 ASN 58 2HD2 ASN 58 22.250 29.325 3.470 438 H LYS 59 H LYS 59 20.439 30.989 7.161 439 HA LYS 59 HA LYS 59 19.204 29.480 9.360 440 HB2 LYS 59 2HB LYS 59 17.866 31.605 7.693 441 HB3 LYS 59 3HB LYS 59 17.369 30.984 9.262 442 HG2 LYS 59 2HG LYS 59 19.836 32.628 8.732 443 HG3 LYS 59 3HG LYS 59 18.326 33.224 9.426 444 HD2 LYS 59 2HD LYS 59 19.958 31.003 10.646 445 HD3 LYS 59 3HD LYS 59 20.140 32.702 11.088 446 HE2 LYS 59 2HE LYS 59 17.369 31.984 11.151 447 HE3 LYS 59 3HE LYS 59 18.297 30.828 12.105 448 HZ1 LYS 59 3HZ LYS 59 19.373 32.934 13.089 449 HZ2 LYS 59 1HZ LYS 59 17.829 32.485 13.616 450 HZ3 LYS 59 2HZ LYS 59 18.008 33.733 12.489 451 H ALA 60 H ALA 60 17.319 28.234 8.975 452 HA ALA 60 HA ALA 60 17.403 26.678 6.622 453 HB1 ALA 60 1HB ALA 60 15.114 26.856 8.573 454 HB2 ALA 60 2HB ALA 60 15.508 25.514 7.499 455 HB3 ALA 60 3HB ALA 60 16.575 25.907 8.847 456 H THR 61 H THR 61 16.196 26.693 4.784 457 HA THR 61 HA THR 61 14.467 29.041 4.381 458 HB THR 61 HB THR 61 15.113 27.735 1.910 459 HG1 THR 61 HG1 THR 61 17.444 28.671 3.195 460 HG21 THR 61 3HG2 THR 61 15.890 30.408 3.080 461 HG22 THR 61 1HG2 THR 61 14.468 30.067 2.097 462 HG23 THR 61 2HG2 THR 61 16.078 29.951 1.388 463 H TYR 62 H TYR 62 12.647 28.737 2.853 464 HA TYR 62 HA TYR 62 11.487 26.039 3.103 465 HB2 TYR 62 2HB TYR 62 9.271 27.120 3.237 466 HB3 TYR 62 3HB TYR 62 10.322 27.603 4.564 467 HD1 TYR 62 HD1 TYR 62 11.436 29.861 4.471 468 HD2 TYR 62 HD2 TYR 62 8.358 28.722 1.763 469 HE1 TYR 62 HE1 TYR 62 11.054 32.228 3.919 470 HE2 TYR 62 HE2 TYR 62 7.968 31.085 1.203 471 HH TYR 62 HH TYR 62 9.529 33.672 2.960 472 H LYS 63 H LYS 63 11.098 25.061 1.240 473 HA LYS 63 HA LYS 63 10.312 26.639 -1.093 474 HB2 LYS 63 2HB LYS 63 12.787 26.290 -1.183 475 HB3 LYS 63 3HB LYS 63 12.499 24.555 -1.207 476 HG2 LYS 63 2HG LYS 63 11.656 24.587 -3.349 477 HG3 LYS 63 3HG LYS 63 11.204 26.291 -3.259 478 HD2 LYS 63 2HD LYS 63 13.683 26.802 -3.159 479 HD3 LYS 63 3HD LYS 63 13.955 25.112 -3.587 480 HE2 LYS 63 2HE LYS 63 12.439 25.531 -5.581 481 HE3 LYS 63 3HE LYS 63 12.579 27.246 -5.200 482 HZ1 LYS 63 3HZ LYS 63 14.212 26.745 -6.817 483 HZ2 LYS 63 1HZ LYS 63 14.757 25.387 -5.968 484 HZ3 LYS 63 2HZ LYS 63 15.039 26.937 -5.354 485 H ASN 64 H ASN 64 9.137 25.477 -2.663 486 HA ASN 64 HA ASN 64 7.934 23.017 -1.618 487 HB2 ASN 64 2HB ASN 64 6.116 23.456 -3.221 488 HB3 ASN 64 3HB ASN 64 6.383 24.832 -2.155 489 HD21 ASN 64 1HD2 ASN 64 7.650 26.615 -3.003 490 HD22 ASN 64 2HD2 ASN 64 7.577 26.967 -4.693 491 H VAL 65 H VAL 65 8.489 21.121 -2.445 492 HA VAL 65 HA VAL 65 9.117 20.876 -5.276 493 HB VAL 65 HB VAL 65 11.210 19.709 -4.934 494 HG11 VAL 65 1HG1 VAL 65 11.411 22.258 -3.355 495 HG12 VAL 65 2HG1 VAL 65 12.591 21.553 -4.462 496 HG13 VAL 65 3HG1 VAL 65 11.097 22.248 -5.090 497 HG21 VAL 65 3HG2 VAL 65 11.213 18.620 -2.930 498 HG22 VAL 65 1HG2 VAL 65 12.171 20.033 -2.484 499 HG23 VAL 65 2HG2 VAL 65 10.457 19.963 -2.072 500 H ASP 66 H ASP 66 8.845 18.793 -6.093 501 HA ASP 66 HA ASP 66 6.913 17.194 -4.876 502 HB2 ASP 66 2HB ASP 66 7.852 17.313 -7.360 503 HB3 ASP 66 3HB ASP 66 8.807 15.940 -6.808 504 H SER 67 H SER 67 10.420 17.014 -4.791 505 HA SER 67 HA SER 67 10.527 15.635 -2.365 506 HB2 SER 67 2HB SER 67 9.857 13.593 -3.175 507 HB3 SER 67 3HB SER 67 10.444 13.925 -4.804 508 HG SER 67 HG SER 67 11.666 12.336 -3.549 509 H HIS 68 H HIS 68 12.078 16.222 -5.471 510 HA HIS 68 HA HIS 68 14.171 16.923 -6.024 511 HB2 HIS 68 2HB HIS 68 13.599 18.158 -3.564 512 HB3 HIS 68 3HB HIS 68 15.239 17.534 -3.413 513 HD1 HIS 68 HD1 HIS 68 15.967 18.029 -6.478 514 HD2 HIS 68 HD2 HIS 68 14.362 20.806 -3.838 515 HE1 HIS 68 HE1 HIS 68 16.599 20.280 -7.404 516 H SER 69 H SER 69 13.629 14.154 -5.169 517 HA SER 69 HA SER 69 15.804 13.138 -3.682 518 HB2 SER 69 2HB SER 69 13.948 11.703 -3.837 519 HB3 SER 69 3HB SER 69 13.829 11.899 -5.586 520 HG SER 69 HG SER 69 14.780 9.869 -4.763 521 H SER 70 H SER 70 15.620 14.368 -6.830 522 HA SER 70 HA SER 70 17.836 12.806 -7.868 523 HB2 SER 70 2HB SER 70 15.789 14.560 -8.977 524 HB3 SER 70 3HB SER 70 17.388 14.899 -9.641 525 HG SER 70 HG SER 70 17.441 12.968 -10.551 526 H ALA 71 H ALA 71 17.441 15.545 -5.969 527 HA ALA 71 HA ALA 71 20.117 16.542 -6.702 528 HB1 ALA 71 1HB ALA 71 18.094 18.203 -5.246 529 HB2 ALA 71 2HB ALA 71 19.486 18.721 -6.198 530 HB3 ALA 71 3HB ALA 71 18.061 18.066 -7.004 531 H ILE 72 H ILE 72 18.090 15.298 -4.207 532 HA ILE 72 HA ILE 72 20.183 15.825 -2.203 533 HB ILE 72 HB ILE 72 18.528 15.541 -0.480 534 HG12 ILE 72 2HG1 ILE 72 16.061 15.463 -1.788 535 HG13 ILE 72 3HG1 ILE 72 17.044 14.268 -2.627 536 HG21 ILE 72 1HG2 ILE 72 18.615 17.648 -2.224 537 HG22 ILE 72 2HG2 ILE 72 16.896 17.259 -2.185 538 HG23 ILE 72 3HG2 ILE 72 17.749 17.629 -0.687 539 HD11 ILE 72 3HD1 ILE 72 15.952 13.100 -0.922 540 HD12 ILE 72 1HD1 ILE 72 17.597 13.340 -0.333 541 HD13 ILE 72 2HD1 ILE 72 16.287 14.355 0.270 542 H THR 73 H THR 73 21.015 14.158 -0.989 543 HA THR 73 HA THR 73 20.627 11.491 -2.105 544 HB THR 73 HB THR 73 22.544 11.380 -0.042 545 HG1 THR 73 HG1 THR 73 23.894 13.101 -0.509 546 HG21 THR 73 3HG2 THR 73 22.522 10.159 -2.210 547 HG22 THR 73 1HG2 THR 73 24.080 10.897 -1.838 548 HG23 THR 73 2HG2 THR 73 23.004 11.653 -3.013 549 H PHE 74 H PHE 74 20.909 9.681 -0.351 550 HA PHE 74 HA PHE 74 18.885 10.209 1.716 551 HB2 PHE 74 2HB PHE 74 18.285 8.479 0.066 552 HB3 PHE 74 3HB PHE 74 19.731 7.572 0.496 553 HD1 PHE 74 HD1 PHE 74 16.748 9.083 2.152 554 HD2 PHE 74 HD2 PHE 74 19.495 5.837 1.974 555 HE1 PHE 74 HE1 PHE 74 15.489 7.925 3.920 556 HE2 PHE 74 HE2 PHE 74 18.240 4.673 3.741 557 HZ PHE 74 HZ PHE 74 16.233 5.716 4.716 558 H PHE 75 H PHE 75 20.830 11.181 2.857 559 HA PHE 75 HA PHE 75 22.261 11.101 4.623 560 HB2 PHE 75 2HB PHE 75 20.452 9.488 5.458 561 HB3 PHE 75 3HB PHE 75 21.544 8.195 4.975 562 HD1 PHE 75 HD1 PHE 75 21.231 11.155 7.173 563 HD2 PHE 75 HD2 PHE 75 23.326 7.543 6.348 564 HE1 PHE 75 HE1 PHE 75 22.398 11.343 9.330 565 HE2 PHE 75 HE2 PHE 75 24.496 7.725 8.505 566 HZ PHE 75 HZ PHE 75 24.032 9.626 10.000 567 H GLU 76 H GLU 76 24.349 11.230 4.169 568 HA GLU 76 HA GLU 76 26.010 8.980 3.864 569 HB2 GLU 76 2HB GLU 76 24.780 9.227 1.566 570 HB3 GLU 76 3HB GLU 76 25.917 10.544 1.311 571 HG2 GLU 76 2HG GLU 76 27.783 9.042 1.571 572 HG3 GLU 76 3HG GLU 76 26.696 7.713 1.969 573 HA PRO 77 HA PRO 77 27.886 13.113 5.004 574 HB2 PRO 77 2HB PRO 77 28.736 12.345 7.465 575 HB3 PRO 77 3HB PRO 77 27.126 13.012 7.170 576 HG2 PRO 77 2HG PRO 77 27.967 10.155 7.471 577 HG3 PRO 77 3HG PRO 77 26.551 10.982 8.146 578 HD2 PRO 77 2HD PRO 77 26.408 9.408 5.947 579 HD3 PRO 77 3HD PRO 77 25.364 10.826 6.177 580 H SER 78 H SER 78 30.049 13.591 4.876 581 HA SER 78 HA SER 78 31.835 11.313 4.382 582 HB2 SER 78 2HB SER 78 31.358 13.581 2.868 583 HB3 SER 78 3HB SER 78 32.877 13.953 3.682 584 HG SER 78 HG SER 78 32.347 11.588 2.203 585 H SER 79 H SER 79 31.287 14.015 6.458 586 HA SER 79 HA SER 79 32.297 14.713 8.374 587 HB2 SER 79 2HB SER 79 33.153 11.908 8.106 588 HB3 SER 79 3HB SER 79 34.215 12.903 9.103 589 HG SER 79 HG SER 79 31.409 12.610 9.426 590 H GLU 80 H GLU 80 35.141 12.956 7.263 591 HA GLU 80 HA GLU 80 36.872 15.137 7.579 592 HB2 GLU 80 2HB GLU 80 37.050 12.395 6.649 593 HB3 GLU 80 3HB GLU 80 38.084 13.459 5.705 594 HG2 GLU 80 2HG GLU 80 39.163 14.242 7.736 595 HG3 GLU 80 3HG GLU 80 38.105 13.219 8.705 596 H LYS 81 H LYS 81 35.214 13.872 4.728 597 HA LYS 81 HA LYS 81 36.453 15.716 2.918 598 HB2 LYS 81 2HB LYS 81 34.927 13.386 2.681 599 HB3 LYS 81 3HB LYS 81 33.920 14.651 1.990 600 HG2 LYS 81 2HG LYS 81 35.059 14.361 0.109 601 HG3 LYS 81 3HG LYS 81 36.419 15.144 0.918 602 HD2 LYS 81 2HD LYS 81 36.867 12.734 1.840 603 HD3 LYS 81 3HD LYS 81 35.900 12.240 0.448 604 HE2 LYS 81 2HE LYS 81 37.418 13.232 -1.073 605 HE3 LYS 81 3HE LYS 81 38.255 14.097 0.215 606 HZ1 LYS 81 3HZ LYS 81 39.362 12.226 0.878 607 HZ2 LYS 81 1HZ LYS 81 39.246 11.920 -0.782 608 HZ3 LYS 81 2HZ LYS 81 38.183 11.164 0.294 609 H ALA 82 H ALA 82 33.959 15.959 5.186 610 HA ALA 82 HA ALA 82 32.664 18.183 3.783 611 HB1 ALA 82 1HB ALA 82 31.530 16.171 5.152 612 HB2 ALA 82 2HB ALA 82 31.680 17.365 6.441 613 HB3 ALA 82 3HB ALA 82 30.791 17.762 4.971 614 H VAL 83 H VAL 83 34.974 17.544 6.202 615 HA VAL 83 HA VAL 83 34.606 20.093 7.559 616 HB VAL 83 HB VAL 83 36.612 17.877 7.987 617 HG11 VAL 83 1HG1 VAL 83 37.847 19.587 8.820 618 HG12 VAL 83 2HG1 VAL 83 36.442 20.621 9.085 619 HG13 VAL 83 3HG1 VAL 83 36.811 19.324 10.223 620 HG21 VAL 83 3HG2 VAL 83 33.941 18.119 8.763 621 HG22 VAL 83 1HG2 VAL 83 35.131 16.972 9.379 622 HG23 VAL 83 2HG2 VAL 83 34.879 18.510 10.204 623 H THR 84 H THR 84 35.717 21.890 7.128 624 HA THR 84 HA THR 84 38.347 21.853 5.984 625 HB THR 84 HB THR 84 36.287 23.223 4.278 626 HG1 THR 84 HG1 THR 84 35.633 21.278 3.739 627 HG21 THR 84 3HG2 THR 84 38.438 23.983 3.764 628 HG22 THR 84 1HG2 THR 84 38.146 22.723 2.566 629 HG23 THR 84 2HG2 THR 84 39.154 22.385 3.974 630 H ALA 85 H ALA 85 35.527 24.044 6.046 631 HA ALA 85 HA ALA 85 36.414 25.676 8.119 632 HB1 ALA 85 1HB ALA 85 38.264 26.456 6.979 633 HB2 ALA 85 2HB ALA 85 37.443 26.437 5.418 634 HB3 ALA 85 3HB ALA 85 37.057 27.686 6.602 635 H ASN 86 H ASN 86 33.988 24.607 7.103 636 HA ASN 86 HA ASN 86 32.513 27.002 6.251 637 HB2 ASN 86 2HB ASN 86 31.997 24.059 5.981 638 HB3 ASN 86 3HB ASN 86 30.653 25.194 5.913 639 HD21 ASN 86 1HD2 ASN 86 33.460 23.978 4.319 640 HD22 ASN 86 2HD2 ASN 86 33.219 24.793 2.815 641 H GLU 87 H GLU 87 32.086 28.091 8.113 642 HA GLU 87 HA GLU 87 31.527 27.044 10.613 643 HB2 GLU 87 2HB GLU 87 30.358 29.225 11.047 644 HB3 GLU 87 3HB GLU 87 31.985 29.377 10.400 645 HG2 GLU 87 2HG GLU 87 30.953 29.666 8.134 646 HG3 GLU 87 3HG GLU 87 29.387 29.757 8.939 647 H ASP 88 H ASP 88 29.244 27.938 8.042 648 HA ASP 88 HA ASP 88 26.899 27.261 9.438 649 HB2 ASP 88 2HB ASP 88 25.934 27.036 7.068 650 HB3 ASP 88 3HB ASP 88 26.603 28.599 7.526 651 H LEU 89 H LEU 89 28.992 25.374 7.302 652 HA LEU 89 HA LEU 89 27.417 23.070 7.128 653 HB2 LEU 89 2HB LEU 89 29.444 23.602 5.767 654 HB3 LEU 89 3HB LEU 89 30.428 23.182 7.168 655 HG LEU 89 HG LEU 89 29.763 20.891 7.037 656 HD11 LEU 89 1HD1 LEU 89 28.270 20.236 5.033 657 HD12 LEU 89 2HD1 LEU 89 27.734 21.915 5.092 658 HD13 LEU 89 3HD1 LEU 89 27.512 20.869 6.494 659 HD21 LEU 89 3HD2 LEU 89 31.524 21.752 5.465 660 HD22 LEU 89 1HD2 LEU 89 30.286 21.782 4.209 661 HD23 LEU 89 2HD2 LEU 89 30.737 20.254 4.966 662 H LEU 90 H LEU 90 29.735 24.113 9.565 663 HA LEU 90 HA LEU 90 29.990 21.741 11.004 664 HB2 LEU 90 2HB LEU 90 31.419 23.610 11.450 665 HB3 LEU 90 3HB LEU 90 30.046 24.608 11.923 666 HG LEU 90 HG LEU 90 29.744 23.319 13.938 667 HD11 LEU 90 1HD1 LEU 90 31.677 21.493 12.620 668 HD12 LEU 90 2HD1 LEU 90 30.242 21.127 13.576 669 HD13 LEU 90 3HD1 LEU 90 31.730 21.630 14.377 670 HD21 LEU 90 3HD2 LEU 90 31.596 25.127 13.658 671 HD22 LEU 90 1HD2 LEU 90 32.697 23.761 13.839 672 HD23 LEU 90 2HD2 LEU 90 31.546 24.142 15.120 673 H GLN 91 H GLN 91 27.689 24.414 11.502 674 HA GLN 91 HA GLN 91 26.292 23.192 13.624 675 HB2 GLN 91 2HB GLN 91 26.230 25.652 12.354 676 HB3 GLN 91 3HB GLN 91 24.660 24.957 11.973 677 HG2 GLN 91 2HG GLN 91 25.652 24.914 14.785 678 HG3 GLN 91 3HG GLN 91 24.976 26.397 14.113 679 HE21 GLN 91 1HE2 GLN 91 24.285 22.960 14.560 680 HE22 GLN 91 2HE2 GLN 91 22.577 23.146 14.746 681 H ALA 92 H ALA 92 25.860 23.114 10.130 682 HA ALA 92 HA ALA 92 23.349 21.856 10.066 683 HB1 ALA 92 1HB ALA 92 23.656 22.308 7.917 684 HB2 ALA 92 2HB ALA 92 25.376 22.596 8.185 685 HB3 ALA 92 3HB ALA 92 24.800 20.968 7.829 686 H ILE 93 H ILE 93 26.624 20.555 10.258 687 HA ILE 93 HA ILE 93 26.028 17.854 9.840 688 HB ILE 93 HB ILE 93 28.225 19.195 11.400 689 HG12 ILE 93 2HG1 ILE 93 28.207 19.376 8.916 690 HG13 ILE 93 3HG1 ILE 93 29.612 18.515 9.535 691 HG21 ILE 93 1HG2 ILE 93 29.211 16.738 11.100 692 HG22 ILE 93 2HG2 ILE 93 28.315 17.234 12.535 693 HG23 ILE 93 3HG2 ILE 93 27.503 16.328 11.258 694 HD11 ILE 93 3HD1 ILE 93 27.476 16.681 8.970 695 HD12 ILE 93 1HD1 ILE 93 27.841 17.674 7.560 696 HD13 ILE 93 2HD1 ILE 93 29.118 16.731 8.328 697 H ARG 94 H ARG 94 25.884 19.836 12.748 698 HA ARG 94 HA ARG 94 25.476 17.729 14.587 699 HB2 ARG 94 2HB ARG 94 25.887 20.422 14.796 700 HB3 ARG 94 3HB ARG 94 24.185 20.296 15.221 701 HG2 ARG 94 2HG ARG 94 24.745 18.658 16.954 702 HG3 ARG 94 3HG ARG 94 26.453 18.815 16.536 703 HD2 ARG 94 2HD ARG 94 24.934 21.286 17.182 704 HD3 ARG 94 3HD ARG 94 25.358 20.204 18.508 705 HE ARG 94 HE ARG 94 27.109 21.952 17.118 706 HH11 ARG 94 1HH1 ARG 94 26.958 18.824 18.640 707 HH12 ARG 94 2HH1 ARG 94 28.647 18.784 19.023 708 HH21 ARG 94 1HH2 ARG 94 29.335 21.911 17.617 709 HH22 ARG 94 2HH2 ARG 94 29.998 20.541 18.442 710 H ASN 95 H ASN 95 23.200 19.887 12.911 711 HA ASN 95 HA ASN 95 20.843 18.890 14.023 712 HB2 ASN 95 2HB ASN 95 21.343 20.094 11.293 713 HB3 ASN 95 3HB ASN 95 19.741 19.796 11.963 714 HD21 ASN 95 1HD2 ASN 95 19.692 20.650 14.390 715 HD22 ASN 95 2HD2 ASN 95 20.175 22.302 14.541 716 H ALA 96 H ALA 96 22.262 18.073 10.851 717 HA ALA 96 HA ALA 96 20.550 16.097 10.054 718 HB1 ALA 96 1HB ALA 96 23.367 15.436 9.569 719 HB2 ALA 96 2HB ALA 96 22.045 15.692 8.429 720 HB3 ALA 96 3HB ALA 96 22.901 17.075 9.112 721 H GLU 97 H GLU 97 23.109 15.881 12.448 722 HA GLU 97 HA GLU 97 23.043 13.044 12.703 723 HB2 GLU 97 2HB GLU 97 25.023 14.156 13.414 724 HB3 GLU 97 3HB GLU 97 24.121 15.241 14.463 725 HG2 GLU 97 2HG GLU 97 25.283 13.582 15.771 726 HG3 GLU 97 3HG GLU 97 23.541 13.356 15.909 727 H GLU 98 H GLU 98 21.546 15.713 14.490 728 HA GLU 98 HA GLU 98 20.304 14.069 16.444 729 HB2 GLU 98 2HB GLU 98 19.575 16.009 17.347 730 HB3 GLU 98 3HB GLU 98 20.719 16.732 16.224 731 HG2 GLU 98 2HG GLU 98 18.867 16.985 14.590 732 HG3 GLU 98 3HG GLU 98 17.755 16.406 15.829 733 H ASP 99 H ASP 99 19.320 15.294 13.301 734 HA ASP 99 HA ASP 99 16.625 14.271 13.577 735 HB2 ASP 99 2HB ASP 99 18.116 15.708 11.396 736 HB3 ASP 99 3HB ASP 99 16.549 14.968 11.084 737 H LYS 100 H LYS 100 16.603 12.085 13.675 738 HA LYS 100 HA LYS 100 17.592 10.658 11.306 739 HB2 LYS 100 2HB LYS 100 18.194 10.089 14.178 740 HB3 LYS 100 3HB LYS 100 18.035 8.738 13.063 741 HG2 LYS 100 2HG LYS 100 19.703 10.291 11.650 742 HG3 LYS 100 3HG LYS 100 20.151 10.777 13.286 743 HD2 LYS 100 2HD LYS 100 19.877 7.872 12.703 744 HD3 LYS 100 3HD LYS 100 21.299 8.718 12.086 745 HE2 LYS 100 2HE LYS 100 20.836 9.478 14.807 746 HE3 LYS 100 3HE LYS 100 20.855 7.719 14.686 747 HZ1 LYS 100 3HZ LYS 100 22.966 9.423 13.496 748 HZ2 LYS 100 1HZ LYS 100 23.006 7.753 13.767 749 HZ3 LYS 100 2HZ LYS 100 23.062 8.823 15.075 750 H GLU 101 H GLU 101 15.126 11.230 11.098 751 HA GLU 101 HA GLU 101 12.977 10.490 10.961 752 HB2 GLU 101 2HB GLU 101 14.289 8.556 9.949 753 HB3 GLU 101 3HB GLU 101 14.098 7.742 11.496 754 HG2 GLU 101 2HG GLU 101 11.977 7.191 11.081 755 HG3 GLU 101 3HG GLU 101 11.599 8.772 10.399 756 H SER 102 H SER 102 14.151 11.140 13.624 757 HA SER 102 HA SER 102 11.909 10.541 15.214 758 HB2 SER 102 2HB SER 102 13.240 8.297 15.112 759 HB3 SER 102 3HB SER 102 14.331 9.093 16.245 760 HG SER 102 HG SER 102 12.146 7.851 16.851 761 H ASN 103 H ASN 103 13.244 12.860 14.604 762 HA ASN 103 HA ASN 103 15.117 13.629 16.604 763 HB2 ASN 103 2HB ASN 103 14.825 14.704 14.326 764 HB3 ASN 103 3HB ASN 103 13.380 15.481 14.968 765 HD21 ASN 103 1HD2 ASN 103 14.860 17.312 14.203 766 HD22 ASN 103 2HD2 ASN 103 15.871 18.012 15.417 767 H ALA 104 H ALA 104 14.815 14.480 18.578 768 HA ALA 104 HA ALA 104 13.789 15.176 20.487 769 HB1 ALA 104 1HB ALA 104 11.547 16.130 18.718 770 HB2 ALA 104 2HB ALA 104 11.974 16.713 20.327 771 HB3 ALA 104 3HB ALA 104 13.050 17.018 18.964 772 H LEU 105 H LEU 105 13.265 12.500 19.344 773 HA LEU 105 HA LEU 105 10.619 11.956 20.509 774 HB2 LEU 105 2HB LEU 105 11.427 11.281 18.066 775 HB3 LEU 105 3HB LEU 105 12.070 9.894 18.943 776 HG LEU 105 HG LEU 105 9.198 10.662 19.270 777 HD11 LEU 105 1HD1 LEU 105 8.556 9.966 17.250 778 HD12 LEU 105 2HD1 LEU 105 9.696 8.620 17.252 779 HD13 LEU 105 3HD1 LEU 105 10.233 10.229 16.768 780 HD21 LEU 105 3HD2 LEU 105 9.275 8.856 20.560 781 HD22 LEU 105 1HD2 LEU 105 10.934 8.515 20.068 782 HD23 LEU 105 2HD2 LEU 105 9.586 7.895 19.114 783 H ARG 106 H ARG 106 13.981 10.854 20.440 784 HA ARG 106 HA ARG 106 13.627 9.777 23.133 785 HB2 ARG 106 2HB ARG 106 13.306 7.870 21.617 786 HB3 ARG 106 3HB ARG 106 14.857 8.208 20.860 787 HG2 ARG 106 2HG ARG 106 15.725 7.957 23.341 788 HG3 ARG 106 3HG ARG 106 14.255 6.994 23.499 789 HD2 ARG 106 2HD ARG 106 15.097 5.867 21.303 790 HD3 ARG 106 3HD ARG 106 16.660 6.524 21.789 791 HE ARG 106 HE ARG 106 16.790 4.870 23.347 792 HH11 ARG 106 1HH1 ARG 106 13.441 5.345 22.526 793 HH12 ARG 106 2HH1 ARG 106 12.879 4.030 23.504 794 HH21 ARG 106 1HH2 ARG 106 16.064 3.136 24.638 795 HH22 ARG 106 2HH2 ARG 106 14.372 2.774 24.706 796 H PHE 107 H PHE 107 14.926 11.289 24.065 797 HA PHE 107 HA PHE 107 17.769 11.007 23.621 798 HB2 PHE 107 2HB PHE 107 16.348 13.145 22.392 799 HB3 PHE 107 3HB PHE 107 17.320 13.825 23.692 800 HD1 PHE 107 HD2 PHE 107 17.405 11.991 20.518 801 HD2 PHE 107 HD1 PHE 107 19.710 13.844 23.578 802 HE1 PHE 107 HE2 PHE 107 19.395 11.891 19.074 803 HE2 PHE 107 HE1 PHE 107 21.704 13.748 22.139 804 HZ PHE 107 HZ PHE 107 21.548 12.769 19.885 805 H GLU 108 H GLU 108 18.896 12.788 25.128 806 HA GLU 108 HA GLU 108 17.995 12.165 27.774 807 HB2 GLU 108 2HB GLU 108 20.388 13.232 26.535 808 HB3 GLU 108 3HB GLU 108 19.963 14.139 27.980 809 HG2 GLU 108 2HG GLU 108 19.733 11.807 29.078 810 HG3 GLU 108 3HG GLU 108 20.695 11.258 27.707 811 HA PRO 109 HA PRO 109 15.460 15.669 28.567 812 HB2 PRO 109 2HB PRO 109 15.701 15.796 31.268 813 HB3 PRO 109 3HB PRO 109 14.754 14.550 30.446 814 HG2 PRO 109 2HG PRO 109 17.530 14.395 31.556 815 HG3 PRO 109 3HG PRO 109 16.214 13.211 31.663 816 HD2 PRO 109 2HD PRO 109 18.247 12.972 29.891 817 HD3 PRO 109 3HD PRO 109 16.604 12.397 29.543 818 H THR 110 H THR 110 15.579 17.688 30.171 819 HA THR 110 HA THR 110 17.987 19.111 29.393 820 HB THR 110 HB THR 110 15.827 20.220 29.083 821 HG1 THR 110 HG1 THR 110 16.394 22.153 30.408 822 HG21 THR 110 3HG2 THR 110 15.614 20.087 32.093 823 HG22 THR 110 1HG2 THR 110 14.604 19.214 30.942 824 HG23 THR 110 2HG2 THR 110 14.526 20.974 31.026 Start of MODEL 17 1 H1 MET 1 H MET 1 16.957 -0.136 -8.183 2 HA MET 1 HA MET 1 15.871 -2.613 -7.022 3 HB2 MET 1 2HB MET 1 18.474 -1.252 -6.309 4 HB3 MET 1 3HB MET 1 17.760 -2.577 -5.400 5 HG2 MET 1 2HG MET 1 17.806 -3.762 -7.751 6 HG3 MET 1 3HG MET 1 19.088 -2.591 -8.053 7 HE1 MET 1 3HE MET 1 20.114 -5.405 -8.403 8 HE2 MET 1 1HE MET 1 21.122 -3.960 -8.310 9 HE3 MET 1 2HE MET 1 21.535 -5.386 -7.358 10 H LEU 2 H LEU 2 14.130 -1.962 -5.922 11 HA LEU 2 HA LEU 2 14.428 -0.221 -3.675 12 HB2 LEU 2 2HB LEU 2 13.012 1.550 -4.304 13 HB3 LEU 2 3HB LEU 2 14.168 1.354 -5.621 14 HG LEU 2 HG LEU 2 12.133 1.748 -6.690 15 HD11 LEU 2 1HD1 LEU 2 12.191 -1.256 -6.579 16 HD12 LEU 2 2HD1 LEU 2 13.394 -0.305 -7.449 17 HD13 LEU 2 3HD1 LEU 2 11.696 -0.220 -7.918 18 HD21 LEU 2 3HD2 LEU 2 10.936 1.062 -4.381 19 HD22 LEU 2 1HD2 LEU 2 10.563 -0.361 -5.354 20 HD23 LEU 2 2HD2 LEU 2 10.076 1.240 -5.911 21 H GLN 3 H GLN 3 12.248 0.114 -2.571 22 HA GLN 3 HA GLN 3 10.431 -2.130 -3.122 23 HB2 GLN 3 2HB GLN 3 11.509 -1.326 -0.415 24 HB3 GLN 3 3HB GLN 3 10.223 -2.497 -0.673 25 HG2 GLN 3 2HG GLN 3 11.656 -4.068 -1.586 26 HG3 GLN 3 3HG GLN 3 12.882 -2.865 -1.982 27 HE21 GLN 3 1HE2 GLN 3 14.118 -1.959 -0.250 28 HE22 GLN 3 2HE2 GLN 3 14.372 -2.863 1.200 29 H GLU 4 H GLU 4 10.649 0.502 -0.725 30 HA GLU 4 HA GLU 4 8.445 1.930 -1.854 31 HB2 GLU 4 2HB GLU 4 7.771 -0.191 -0.155 32 HB3 GLU 4 3HB GLU 4 7.612 1.254 0.834 33 HG2 GLU 4 2HG GLU 4 6.432 1.464 -1.839 34 HG3 GLU 4 3HG GLU 4 5.683 0.264 -0.787 35 H ARG 5 H ARG 5 10.300 1.318 1.111 36 HA ARG 5 HA ARG 5 11.380 2.713 2.546 37 HB2 ARG 5 2HB ARG 5 12.361 3.583 0.418 38 HB3 ARG 5 3HB ARG 5 11.085 4.792 0.374 39 HG2 ARG 5 2HG ARG 5 13.198 5.676 1.253 40 HG3 ARG 5 3HG ARG 5 11.884 5.772 2.428 41 HD2 ARG 5 2HD ARG 5 12.984 4.489 3.877 42 HD3 ARG 5 3HD ARG 5 13.304 3.268 2.647 43 HE ARG 5 HE ARG 5 15.412 4.120 2.406 44 HH11 ARG 5 1HH1 ARG 5 13.431 6.448 4.071 45 HH12 ARG 5 2HH1 ARG 5 14.751 7.511 4.428 46 HH21 ARG 5 1HH2 ARG 5 17.159 5.512 2.869 47 HH22 ARG 5 2HH2 ARG 5 16.872 6.978 3.743 48 H VAL 6 H VAL 6 11.050 4.528 3.995 49 HA VAL 6 HA VAL 6 8.258 5.479 3.997 50 HB VAL 6 HB VAL 6 9.949 4.895 6.431 51 HG11 VAL 6 1HG1 VAL 6 7.269 6.084 5.997 52 HG12 VAL 6 2HG1 VAL 6 7.459 4.986 7.365 53 HG13 VAL 6 3HG1 VAL 6 8.473 6.424 7.239 54 HG21 VAL 6 3HG2 VAL 6 7.716 3.215 6.386 55 HG22 VAL 6 1HG2 VAL 6 8.389 3.148 4.757 56 HG23 VAL 6 2HG2 VAL 6 9.402 2.757 6.147 57 H PHE 7 H PHE 7 7.864 7.593 4.611 58 HA PHE 7 HA PHE 7 10.249 9.313 4.778 59 HB2 PHE 7 2HB PHE 7 7.600 9.672 3.430 60 HB3 PHE 7 3HB PHE 7 8.484 11.091 3.982 61 HD1 PHE 7 HD1 PHE 7 9.038 7.964 2.028 62 HD2 PHE 7 HD2 PHE 7 9.959 12.088 2.534 63 HE1 PHE 7 HE1 PHE 7 10.396 7.908 -0.023 64 HE2 PHE 7 HE2 PHE 7 11.318 12.040 0.483 65 HZ PHE 7 HZ PHE 7 11.537 9.948 -0.799 66 H HIS 8 H HIS 8 10.534 10.465 6.571 67 HA HIS 8 HA HIS 8 8.235 10.815 8.383 68 HB2 HIS 8 2HB HIS 8 10.144 9.233 9.099 69 HB3 HIS 8 3HB HIS 8 11.093 10.700 9.318 70 HD1 HIS 8 HD1 HIS 8 11.208 11.060 11.764 71 HD2 HIS 8 HD2 HIS 8 7.387 9.990 10.532 72 HE1 HIS 8 HE1 HIS 8 9.773 11.205 13.824 73 H ILE 9 H ILE 9 8.518 12.684 9.911 74 HA ILE 9 HA ILE 9 8.702 15.079 8.548 75 HB ILE 9 HB ILE 9 7.576 14.993 10.666 76 HG12 ILE 9 2HG1 ILE 9 9.911 16.723 11.353 77 HG13 ILE 9 3HG1 ILE 9 9.019 17.073 9.876 78 HG21 ILE 9 1HG2 ILE 9 9.052 13.275 11.681 79 HG22 ILE 9 2HG2 ILE 9 10.254 14.533 11.968 80 HG23 ILE 9 3HG2 ILE 9 8.683 14.616 12.765 81 HD11 ILE 9 3HD1 ILE 9 7.987 18.421 11.431 82 HD12 ILE 9 1HD1 ILE 9 6.939 17.003 11.407 83 HD13 ILE 9 2HD1 ILE 9 8.107 17.215 12.712 84 H ASN 10 H ASN 10 11.191 13.391 10.406 85 HA ASN 10 HA ASN 10 13.148 15.421 10.264 86 HB2 ASN 10 2HB ASN 10 13.722 12.463 10.429 87 HB3 ASN 10 3HB ASN 10 14.690 13.791 11.062 88 HD21 ASN 10 1HD2 ASN 10 12.752 15.303 12.296 89 HD22 ASN 10 2HD2 ASN 10 12.102 14.420 13.631 90 H ASP 11 H ASP 11 12.593 12.530 8.274 91 HA ASP 11 HA ASP 11 13.447 11.888 6.254 92 HB2 ASP 11 2HB ASP 11 12.329 14.510 6.035 93 HB3 ASP 11 3HB ASP 11 13.720 14.404 4.960 94 H ARG 12 H ARG 12 15.495 11.200 6.928 95 HA ARG 12 HA ARG 12 17.700 13.060 7.020 96 HB2 ARG 12 2HB ARG 12 19.061 10.981 7.383 97 HB3 ARG 12 3HB ARG 12 17.781 11.236 8.562 98 HG2 ARG 12 2HG ARG 12 16.828 9.297 8.063 99 HG3 ARG 12 3HG ARG 12 16.850 9.654 6.335 100 HD2 ARG 12 2HD ARG 12 18.675 8.404 5.988 101 HD3 ARG 12 3HD ARG 12 19.481 9.025 7.428 102 HE ARG 12 HE ARG 12 18.853 7.124 8.509 103 HH11 ARG 12 1HH1 ARG 12 16.700 7.620 5.818 104 HH12 ARG 12 2HH1 ARG 12 15.842 6.135 6.063 105 HH21 ARG 12 1HH2 ARG 12 17.731 5.166 8.841 106 HH22 ARG 12 2HH2 ARG 12 16.428 4.741 7.783 107 H VAL 13 H VAL 13 18.353 13.887 5.132 108 HA VAL 13 HA VAL 13 19.215 12.031 3.048 109 HB VAL 13 HB VAL 13 18.248 13.656 1.315 110 HG11 VAL 13 1HG1 VAL 13 16.644 12.131 0.950 111 HG12 VAL 13 2HG1 VAL 13 17.332 11.308 2.352 112 HG13 VAL 13 3HG1 VAL 13 15.928 12.359 2.546 113 HG21 VAL 13 3HG2 VAL 13 16.439 14.347 3.628 114 HG22 VAL 13 1HG2 VAL 13 17.664 15.418 2.947 115 HG23 VAL 13 2HG2 VAL 13 16.289 14.913 1.964 116 H TRP 14 H TRP 14 20.377 13.337 1.254 117 HA TRP 14 HA TRP 14 21.988 15.440 2.549 118 HB2 TRP 14 2HB TRP 14 23.434 13.592 2.284 119 HB3 TRP 14 3HB TRP 14 22.795 13.214 0.687 120 HD1 TRP 14 HD1 TRP 14 24.053 16.690 1.806 121 HE1 TRP 14 HE1 TRP 14 26.024 17.354 0.289 122 HE3 TRP 14 HE3 TRP 14 24.516 12.357 -0.868 123 HZ2 TRP 14 HZ2 TRP 14 27.569 16.195 -1.769 124 HZ3 TRP 14 HZ3 TRP 14 26.265 12.216 -2.592 125 HH2 TRP 14 HH2 TRP 14 27.759 14.097 -3.033 126 H LEU 15 H LEU 15 22.119 17.354 1.552 127 HA LEU 15 HA LEU 15 21.065 17.546 -1.193 128 HB2 LEU 15 2HB LEU 15 19.736 18.622 0.672 129 HB3 LEU 15 3HB LEU 15 21.078 19.749 0.856 130 HG LEU 15 HG LEU 15 19.884 19.494 -1.848 131 HD11 LEU 15 1HD1 LEU 15 18.505 21.381 -0.053 132 HD12 LEU 15 2HD1 LEU 15 18.105 19.678 0.160 133 HD13 LEU 15 3HD1 LEU 15 17.888 20.444 -1.414 134 HD21 LEU 15 3HD2 LEU 15 21.254 21.537 -0.178 135 HD22 LEU 15 1HD2 LEU 15 20.150 22.090 -1.437 136 HD23 LEU 15 2HD2 LEU 15 21.530 21.076 -1.858 137 H LYS 16 H LYS 16 22.341 18.392 -2.718 138 HA LYS 16 HA LYS 16 24.969 19.398 -1.898 139 HB2 LYS 16 2HB LYS 16 25.136 17.586 -3.438 140 HB3 LYS 16 3HB LYS 16 23.927 18.291 -4.503 141 HG2 LYS 16 2HG LYS 16 26.221 18.494 -5.373 142 HG3 LYS 16 3HG LYS 16 25.435 20.057 -5.131 143 HD2 LYS 16 2HD LYS 16 27.749 20.106 -4.352 144 HD3 LYS 16 3HD LYS 16 26.624 20.328 -3.010 145 HE2 LYS 16 2HE LYS 16 28.530 18.777 -2.537 146 HE3 LYS 16 3HE LYS 16 26.930 18.079 -2.284 147 HZ1 LYS 16 3HZ LYS 16 27.107 16.785 -4.183 148 HZ2 LYS 16 1HZ LYS 16 28.669 16.708 -3.535 149 HZ3 LYS 16 2HZ LYS 16 28.347 17.725 -4.848 150 H THR 17 H THR 17 25.087 21.532 -1.697 151 HA THR 17 HA THR 17 23.283 23.343 -2.933 152 HB THR 17 HB THR 17 25.937 24.256 -1.897 153 HG1 THR 17 HG1 THR 17 23.806 23.158 -0.366 154 HG21 THR 17 3HG2 THR 17 24.609 26.099 -1.027 155 HG22 THR 17 1HG2 THR 17 23.126 25.306 -1.553 156 HG23 THR 17 2HG2 THR 17 24.290 25.881 -2.747 157 H GLY 18 H GLY 18 26.558 22.270 -3.679 158 HA2 GLY 18 2HA GLY 18 26.267 23.089 -6.415 159 HA3 GLY 18 3HA GLY 18 27.393 24.105 -5.527 160 H ALA 19 H ALA 19 29.020 22.744 -4.175 161 HA ALA 19 HA ALA 19 29.744 20.176 -5.162 162 HB1 ALA 19 1HB ALA 19 30.493 21.237 -7.124 163 HB2 ALA 19 2HB ALA 19 31.228 22.563 -6.223 164 HB3 ALA 19 3HB ALA 19 31.944 20.953 -6.162 165 H ASN 20 H ASN 20 30.761 23.148 -3.559 166 HA ASN 20 HA ASN 20 32.423 21.541 -1.735 167 HB2 ASN 20 2HB ASN 20 32.849 24.091 -3.037 168 HB3 ASN 20 3HB ASN 20 32.978 24.254 -1.288 169 HD21 ASN 20 1HD2 ASN 20 34.716 23.441 -0.253 170 HD22 ASN 20 2HD2 ASN 20 36.035 22.654 -1.043 171 H THR 21 H THR 21 29.474 23.028 -1.968 172 HA THR 21 HA THR 21 29.328 23.428 0.950 173 HB THR 21 HB THR 21 27.169 24.792 -0.286 174 HG1 THR 21 HG1 THR 21 28.685 26.365 -1.416 175 HG21 THR 21 3HG2 THR 21 29.680 25.831 1.034 176 HG22 THR 21 1HG2 THR 21 28.188 25.376 1.855 177 HG23 THR 21 2HG2 THR 21 28.206 26.759 0.761 178 H TRP 22 H TRP 22 28.078 22.005 1.949 179 HA TRP 22 HA TRP 22 25.706 20.969 0.563 180 HB2 TRP 22 2HB TRP 22 26.226 18.720 1.653 181 HB3 TRP 22 3HB TRP 22 27.228 19.182 0.280 182 HD1 TRP 22 HD1 TRP 22 27.386 18.696 4.073 183 HE1 TRP 22 HE1 TRP 22 29.857 18.572 4.783 184 HE3 TRP 22 HE3 TRP 22 29.573 19.926 -0.382 185 HZ2 TRP 22 HZ2 TRP 22 32.397 18.947 3.610 186 HZ3 TRP 22 HZ3 TRP 22 32.029 20.021 -0.503 187 HH2 TRP 22 HH2 TRP 22 33.410 19.542 1.453 188 H TRP 23 H TRP 23 23.933 20.607 1.845 189 HA TRP 23 HA TRP 23 24.216 20.918 4.739 190 HB2 TRP 23 2HB TRP 23 22.449 22.624 2.980 191 HB3 TRP 23 3HB TRP 23 22.236 22.490 4.724 192 HD1 TRP 23 HD1 TRP 23 25.130 22.772 5.786 193 HE1 TRP 23 HE1 TRP 23 26.446 24.966 5.502 194 HE3 TRP 23 HE3 TRP 23 22.539 24.770 1.858 195 HZ2 TRP 23 HZ2 TRP 23 26.393 27.242 3.833 196 HZ3 TRP 23 HZ3 TRP 23 23.235 26.960 0.978 197 HH2 TRP 23 HH2 TRP 23 25.122 28.168 1.946 198 HA PRO 24 HA PRO 24 21.233 17.697 4.896 199 HB2 PRO 24 2HB PRO 24 20.103 18.193 7.314 200 HB3 PRO 24 3HB PRO 24 21.730 17.526 7.132 201 HG2 PRO 24 2HG PRO 24 20.888 20.349 7.669 202 HG3 PRO 24 3HG PRO 24 22.205 19.415 8.403 203 HD2 PRO 24 2HD PRO 24 22.625 21.230 6.438 204 HD3 PRO 24 3HD PRO 24 23.620 19.771 6.619 205 H ALA 25 H ALA 25 19.163 17.333 4.283 206 HA ALA 25 HA ALA 25 17.349 19.656 4.213 207 HB1 ALA 25 1HB ALA 25 16.558 17.652 2.341 208 HB2 ALA 25 2HB ALA 25 17.065 19.314 2.040 209 HB3 ALA 25 3HB ALA 25 18.265 18.024 2.104 210 H LYS 26 H LYS 26 15.380 19.466 5.108 211 HA LYS 26 HA LYS 26 14.485 16.787 5.941 212 HB2 LYS 26 2HB LYS 26 15.222 17.718 7.965 213 HB3 LYS 26 3HB LYS 26 14.629 19.321 7.549 214 HG2 LYS 26 2HG LYS 26 12.513 17.328 7.676 215 HG3 LYS 26 3HG LYS 26 13.386 17.515 9.198 216 HD2 LYS 26 2HD LYS 26 12.297 19.842 7.627 217 HD3 LYS 26 3HD LYS 26 11.380 19.017 8.889 218 HE2 LYS 26 2HE LYS 26 13.218 19.514 10.478 219 HE3 LYS 26 3HE LYS 26 14.023 20.435 9.208 220 HZ1 LYS 26 3HZ LYS 26 11.259 21.151 9.758 221 HZ2 LYS 26 1HZ LYS 26 12.586 22.140 9.409 222 HZ3 LYS 26 2HZ LYS 26 12.376 21.528 10.971 223 H VAL 27 H VAL 27 12.410 16.305 5.510 224 HA VAL 27 HA VAL 27 10.785 18.388 4.234 225 HB VAL 27 HB VAL 27 10.278 15.414 4.219 226 HG11 VAL 27 1HG1 VAL 27 8.797 17.680 3.317 227 HG12 VAL 27 2HG1 VAL 27 9.294 16.723 1.920 228 HG13 VAL 27 3HG1 VAL 27 8.375 15.971 3.224 229 HG21 VAL 27 3HG2 VAL 27 12.197 15.354 3.021 230 HG22 VAL 27 1HG2 VAL 27 11.142 15.923 1.727 231 HG23 VAL 27 2HG2 VAL 27 12.132 17.072 2.627 232 H THR 28 H THR 28 9.174 19.278 5.328 233 HA THR 28 HA THR 28 8.372 18.268 7.892 234 HB THR 28 HB THR 28 8.490 20.676 7.530 235 HG1 THR 28 HG1 THR 28 6.829 20.942 8.827 236 HG21 THR 28 3HG2 THR 28 6.560 20.056 5.338 237 HG22 THR 28 1HG2 THR 28 7.950 21.140 5.338 238 HG23 THR 28 2HG2 THR 28 6.461 21.616 6.154 239 H SER 29 H SER 29 7.490 17.495 4.778 240 HA SER 29 HA SER 29 5.813 16.246 3.882 241 HB2 SER 29 2HB SER 29 6.221 15.104 6.259 242 HB3 SER 29 3HB SER 29 4.581 15.687 6.538 243 HG SER 29 HG SER 29 3.896 14.515 4.749 244 H VAL 30 H VAL 30 5.320 18.830 3.690 245 HA VAL 30 HA VAL 30 2.456 19.072 4.337 246 HB VAL 30 HB VAL 30 4.471 21.325 4.325 247 HG11 VAL 30 1HG1 VAL 30 2.575 22.414 3.674 248 HG12 VAL 30 2HG1 VAL 30 1.503 21.234 4.431 249 HG13 VAL 30 3HG1 VAL 30 2.333 22.435 5.421 250 HG21 VAL 30 3HG2 VAL 30 4.228 21.428 6.681 251 HG22 VAL 30 1HG2 VAL 30 2.895 20.274 6.664 252 HG23 VAL 30 2HG2 VAL 30 4.532 19.736 6.288 253 H THR 31 H THR 31 1.337 18.965 2.513 254 HA THR 31 HA THR 31 2.432 19.344 -0.060 255 HB THR 31 HB THR 31 0.414 17.947 0.451 256 HG1 THR 31 HG1 THR 31 0.057 18.154 -1.619 257 HG21 THR 31 3HG2 THR 31 -1.483 20.113 0.113 258 HG22 THR 31 1HG2 THR 31 -0.545 20.293 1.595 259 HG23 THR 31 2HG2 THR 31 -1.461 18.814 1.305 260 H GLY 32 H GLY 32 1.000 20.856 -1.623 261 HA2 GLY 32 2HA GLY 32 0.895 23.537 -0.395 262 HA3 GLY 32 3HA GLY 32 1.764 23.272 -1.899 263 H VAL 33 H VAL 33 -1.293 21.763 -1.026 264 HA VAL 33 HA VAL 33 -2.792 23.573 -2.734 265 HB VAL 33 HB VAL 33 -2.586 20.626 -3.367 266 HG11 VAL 33 1HG1 VAL 33 -4.598 20.784 -4.290 267 HG12 VAL 33 2HG1 VAL 33 -4.711 22.477 -3.806 268 HG13 VAL 33 3HG1 VAL 33 -3.995 22.048 -5.361 269 HG21 VAL 33 3HG2 VAL 33 -0.685 21.731 -4.255 270 HG22 VAL 33 1HG2 VAL 33 -1.813 21.523 -5.595 271 HG23 VAL 33 2HG2 VAL 33 -1.652 23.096 -4.813 272 H GLU 34 H GLU 34 -3.392 20.236 -1.666 273 HA GLU 34 HA GLU 34 -4.911 20.843 0.602 274 HB2 GLU 34 2HB GLU 34 -7.197 20.385 -0.302 275 HB3 GLU 34 3HB GLU 34 -6.505 21.910 -0.835 276 HG2 GLU 34 2HG GLU 34 -5.729 20.113 -2.786 277 HG3 GLU 34 3HG GLU 34 -7.374 19.626 -2.382 278 H GLY 35 H GLY 35 -3.013 18.906 -0.366 279 HA2 GLY 35 2HA GLY 35 -2.690 16.688 0.323 280 HA3 GLY 35 3HA GLY 35 -4.432 16.504 0.472 281 H VAL 36 H VAL 36 -2.375 17.503 -2.255 282 HA VAL 36 HA VAL 36 -3.833 15.678 -3.989 283 HB VAL 36 HB VAL 36 -1.643 17.645 -4.671 284 HG11 VAL 36 1HG1 VAL 36 -2.495 17.363 -6.989 285 HG12 VAL 36 2HG1 VAL 36 -1.755 15.905 -6.325 286 HG13 VAL 36 3HG1 VAL 36 -3.512 16.043 -6.412 287 HG21 VAL 36 3HG2 VAL 36 -3.169 19.267 -4.714 288 HG22 VAL 36 1HG2 VAL 36 -4.284 18.276 -5.655 289 HG23 VAL 36 2HG2 VAL 36 -4.268 18.158 -3.895 290 H ASP 37 H ASP 37 -0.866 15.810 -2.279 291 HA ASP 37 HA ASP 37 0.816 14.255 -3.858 292 HB2 ASP 37 2HB ASP 37 1.382 15.471 -1.697 293 HB3 ASP 37 3HB ASP 37 0.695 14.090 -0.847 294 H GLY 38 H GLY 38 -1.986 13.366 -2.041 295 HA2 GLY 38 2HA GLY 38 -1.335 10.539 -1.997 296 HA3 GLY 38 3HA GLY 38 -2.822 11.279 -1.424 297 H ARG 39 H ARG 39 -2.838 12.717 -4.166 298 HA ARG 39 HA ARG 39 -3.987 10.452 -5.661 299 HB2 ARG 39 2HB ARG 39 -5.466 12.223 -6.723 300 HB3 ARG 39 3HB ARG 39 -5.797 11.843 -5.038 301 HG2 ARG 39 2HG ARG 39 -4.520 13.840 -4.366 302 HG3 ARG 39 3HG ARG 39 -4.287 14.233 -6.071 303 HD2 ARG 39 2HD ARG 39 -6.173 15.443 -4.924 304 HD3 ARG 39 3HD ARG 39 -6.608 14.580 -6.399 305 HE ARG 39 HE ARG 39 -7.005 13.021 -4.028 306 HH11 ARG 39 1HH1 ARG 39 -8.401 15.446 -6.100 307 HH12 ARG 39 2HH1 ARG 39 -10.033 15.075 -5.652 308 HH21 ARG 39 1HH2 ARG 39 -9.150 12.523 -3.431 309 HH22 ARG 39 2HH2 ARG 39 -10.458 13.413 -4.134 310 H SER 40 H SER 40 -1.241 11.449 -5.755 311 HA SER 40 HA SER 40 0.373 11.814 -7.318 312 HB2 SER 40 2HB SER 40 -1.833 10.687 -8.792 313 HB3 SER 40 3HB SER 40 -0.988 11.873 -9.787 314 HG SER 40 HG SER 40 0.972 10.741 -9.222 315 H SER 41 H SER 41 1.277 13.503 -8.549 316 HA SER 41 HA SER 41 0.078 16.057 -8.074 317 HB2 SER 41 2HB SER 41 2.553 15.595 -8.006 318 HB3 SER 41 3HB SER 41 2.514 15.456 -9.764 319 HG SER 41 HG SER 41 3.082 17.575 -8.960 320 H GLU 42 H GLU 42 0.025 13.804 -10.653 321 HA GLU 42 HA GLU 42 -0.314 15.459 -12.872 322 HB2 GLU 42 2HB GLU 42 -1.211 13.571 -13.994 323 HB3 GLU 42 3HB GLU 42 -0.022 12.947 -12.859 324 HG2 GLU 42 2HG GLU 42 -2.224 12.807 -11.333 325 HG3 GLU 42 3HG GLU 42 -2.945 12.599 -12.928 326 H THR 43 H THR 43 -2.418 14.805 -10.230 327 HA THR 43 HA THR 43 -4.903 15.365 -11.445 328 HB THR 43 HB THR 43 -4.063 15.714 -8.561 329 HG1 THR 43 HG1 THR 43 -3.984 13.545 -9.518 330 HG21 THR 43 3HG2 THR 43 -6.723 15.229 -8.487 331 HG22 THR 43 1HG2 THR 43 -6.612 16.176 -9.971 332 HG23 THR 43 2HG2 THR 43 -6.018 16.845 -8.451 333 H GLY 44 H GLY 44 -2.699 17.439 -9.559 334 HA2 GLY 44 2HA GLY 44 -3.695 19.751 -11.047 335 HA3 GLY 44 3HA GLY 44 -3.877 19.783 -9.300 336 H THR 45 H THR 45 -1.991 19.829 -7.982 337 HA THR 45 HA THR 45 0.603 20.123 -9.199 338 HB THR 45 HB THR 45 0.809 22.454 -7.974 339 HG1 THR 45 HG1 THR 45 -1.906 22.517 -8.825 340 HG21 THR 45 3HG2 THR 45 -0.645 22.614 -10.568 341 HG22 THR 45 1HG2 THR 45 0.882 21.734 -10.519 342 HG23 THR 45 2HG2 THR 45 0.828 23.433 -10.048 343 H SER 46 H SER 46 0.427 18.228 -7.603 344 HA SER 46 HA SER 46 0.399 18.768 -4.816 345 HB2 SER 46 2HB SER 46 -0.125 16.551 -5.367 346 HB3 SER 46 3HB SER 46 1.230 16.410 -6.487 347 HG SER 46 HG SER 46 2.628 16.303 -4.760 348 H THR 47 H THR 47 1.865 20.108 -3.966 349 HA THR 47 HA THR 47 4.703 19.635 -4.613 350 HB THR 47 HB THR 47 5.180 21.962 -4.235 351 HG1 THR 47 HG1 THR 47 2.453 22.581 -3.891 352 HG21 THR 47 3HG2 THR 47 2.718 22.221 -5.879 353 HG22 THR 47 1HG2 THR 47 3.947 21.077 -6.418 354 HG23 THR 47 2HG2 THR 47 4.358 22.779 -6.205 355 H VAL 48 H VAL 48 5.920 18.963 -2.977 356 HA VAL 48 HA VAL 48 4.843 19.104 -0.260 357 HB VAL 48 HB VAL 48 7.229 17.561 -1.287 358 HG11 VAL 48 1HG1 VAL 48 5.780 17.506 1.356 359 HG12 VAL 48 2HG1 VAL 48 6.982 16.317 0.851 360 HG13 VAL 48 3HG1 VAL 48 7.446 18.005 1.064 361 HG21 VAL 48 3HG2 VAL 48 4.386 17.038 -1.425 362 HG22 VAL 48 1HG2 VAL 48 5.729 16.175 -2.175 363 HG23 VAL 48 2HG2 VAL 48 5.237 15.780 -0.528 364 H THR 49 H THR 49 5.411 20.826 0.888 365 HA THR 49 HA THR 49 7.792 22.334 0.313 366 HB THR 49 HB THR 49 5.891 22.661 2.641 367 HG1 THR 49 HG1 THR 49 4.631 23.794 1.322 368 HG21 THR 49 3HG2 THR 49 7.252 24.297 3.293 369 HG22 THR 49 1HG2 THR 49 7.023 25.102 1.741 370 HG23 THR 49 2HG2 THR 49 8.339 23.946 1.950 371 H VAL 50 H VAL 50 9.707 22.282 1.335 372 HA VAL 50 HA VAL 50 9.933 20.663 3.786 373 HB VAL 50 HB VAL 50 11.890 19.600 3.065 374 HG11 VAL 50 1HG1 VAL 50 10.443 19.677 0.449 375 HG12 VAL 50 2HG1 VAL 50 11.178 18.306 1.283 376 HG13 VAL 50 3HG1 VAL 50 9.664 18.992 1.876 377 HG21 VAL 50 3HG2 VAL 50 12.699 20.345 0.612 378 HG22 VAL 50 1HG2 VAL 50 12.075 21.884 1.205 379 HG23 VAL 50 2HG2 VAL 50 13.341 21.042 2.099 380 H LEU 51 H LEU 51 11.434 21.346 5.307 381 HA LEU 51 HA LEU 51 12.891 23.828 4.748 382 HB2 LEU 51 2HB LEU 51 10.581 24.041 5.996 383 HB3 LEU 51 3HB LEU 51 11.539 23.532 7.385 384 HG LEU 51 HG LEU 51 12.032 25.985 5.698 385 HD11 LEU 51 1HD1 LEU 51 11.169 27.259 7.463 386 HD12 LEU 51 2HD1 LEU 51 11.188 25.892 8.576 387 HD13 LEU 51 3HD1 LEU 51 10.016 25.939 7.259 388 HD21 LEU 51 3HD2 LEU 51 13.707 26.544 7.389 389 HD22 LEU 51 1HD2 LEU 51 14.104 25.036 6.563 390 HD23 LEU 51 2HD2 LEU 51 13.419 24.998 8.188 391 H THR 52 H THR 52 14.954 23.360 5.088 392 HA THR 52 HA THR 52 15.877 21.181 6.618 393 HB THR 52 HB THR 52 18.085 21.949 6.192 394 HG1 THR 52 HG1 THR 52 18.506 24.009 6.346 395 HG21 THR 52 3HG2 THR 52 16.307 21.543 4.184 396 HG22 THR 52 1HG2 THR 52 18.037 21.781 3.941 397 HG23 THR 52 2HG2 THR 52 16.926 23.139 3.762 398 H TYR 53 H TYR 53 17.919 21.974 8.184 399 HA TYR 53 HA TYR 53 16.533 23.329 10.391 400 HB2 TYR 53 2HB TYR 53 18.212 20.998 10.233 401 HB3 TYR 53 3HB TYR 53 18.931 22.174 11.327 402 HD1 TYR 53 HD2 TYR 53 15.551 20.741 10.596 403 HD2 TYR 53 HD1 TYR 53 18.343 22.006 13.546 404 HE1 TYR 53 HE2 TYR 53 13.992 20.039 12.364 405 HE2 TYR 53 HE1 TYR 53 16.793 21.307 15.322 406 HH TYR 53 HH TYR 53 13.733 19.696 14.560 407 HA PRO 54 HA PRO 54 19.203 26.814 10.165 408 HB2 PRO 54 2HB PRO 54 19.142 27.614 12.759 409 HB3 PRO 54 3HB PRO 54 17.776 27.824 11.656 410 HG2 PRO 54 2HG PRO 54 18.231 25.710 13.726 411 HG3 PRO 54 3HG PRO 54 16.747 26.604 13.347 412 HD2 PRO 54 2HD PRO 54 17.193 24.082 12.467 413 HD3 PRO 54 3HD PRO 54 16.254 25.266 11.536 414 H GLY 55 H GLY 55 21.335 27.333 10.417 415 HA2 GLY 55 2HA GLY 55 22.973 25.370 11.870 416 HA3 GLY 55 3HA GLY 55 23.534 26.404 10.564 417 H THR 56 H THR 56 25.227 27.368 11.588 418 HA THR 56 HA THR 56 24.732 28.707 14.146 419 HB THR 56 HB THR 56 26.746 27.298 13.990 420 HG1 THR 56 HG1 THR 56 26.633 29.386 15.216 421 HG21 THR 56 3HG2 THR 56 27.690 29.302 11.937 422 HG22 THR 56 1HG2 THR 56 27.198 27.645 11.587 423 HG23 THR 56 2HG2 THR 56 28.619 27.951 12.586 424 H GLN 57 H GLN 57 25.517 29.354 10.794 425 HA GLN 57 HA GLN 57 25.269 32.235 11.355 426 HB2 GLN 57 2HB GLN 57 27.358 30.766 9.951 427 HB3 GLN 57 3HB GLN 57 26.671 32.054 8.970 428 HG2 GLN 57 2HG GLN 57 27.092 33.131 11.533 429 HG3 GLN 57 3HG GLN 57 28.542 32.219 11.118 430 HE21 GLN 57 1HE2 GLN 57 26.506 34.906 10.292 431 HE22 GLN 57 2HE2 GLN 57 27.604 35.666 9.197 432 H ASN 58 H ASN 58 24.551 29.564 9.209 433 HA ASN 58 HA ASN 58 22.867 31.300 7.552 434 HB2 ASN 58 2HB ASN 58 24.585 29.266 6.853 435 HB3 ASN 58 3HB ASN 58 23.017 28.464 6.816 436 HD21 ASN 58 1HD2 ASN 58 25.161 29.921 4.926 437 HD22 ASN 58 2HD2 ASN 58 24.124 30.603 3.724 438 H LYS 59 H LYS 59 20.677 30.950 7.289 439 HA LYS 59 HA LYS 59 19.438 29.257 9.348 440 HB2 LYS 59 2HB LYS 59 18.062 31.439 7.792 441 HB3 LYS 59 3HB LYS 59 17.559 30.702 9.308 442 HG2 LYS 59 2HG LYS 59 20.008 32.421 8.966 443 HG3 LYS 59 3HG LYS 59 18.451 32.984 9.579 444 HD2 LYS 59 2HD LYS 59 19.798 30.641 10.859 445 HD3 LYS 59 3HD LYS 59 20.331 32.279 11.244 446 HE2 LYS 59 2HE LYS 59 17.455 31.411 11.419 447 HE3 LYS 59 3HE LYS 59 18.577 31.273 12.772 448 HZ1 LYS 59 3HZ LYS 59 18.158 33.378 13.255 449 HZ2 LYS 59 1HZ LYS 59 17.140 33.530 11.912 450 HZ3 LYS 59 2HZ LYS 59 18.792 33.860 11.763 451 H ALA 60 H ALA 60 17.503 28.077 8.806 452 HA ALA 60 HA ALA 60 17.691 26.863 6.185 453 HB1 ALA 60 1HB ALA 60 15.871 26.239 8.508 454 HB2 ALA 60 2HB ALA 60 16.031 25.276 7.038 455 HB3 ALA 60 3HB ALA 60 17.400 25.441 8.138 456 H THR 61 H THR 61 16.226 26.998 4.552 457 HA THR 61 HA THR 61 14.085 28.990 4.884 458 HB THR 61 HB THR 61 14.553 28.324 2.128 459 HG1 THR 61 HG1 THR 61 16.674 27.809 2.792 460 HG21 THR 61 3HG2 THR 61 13.637 30.397 2.408 461 HG22 THR 61 1HG2 THR 61 15.335 30.860 2.304 462 HG23 THR 61 2HG2 THR 61 14.552 30.725 3.879 463 H TYR 62 H TYR 62 12.154 28.630 3.457 464 HA TYR 62 HA TYR 62 11.499 25.759 3.313 465 HB2 TYR 62 2HB TYR 62 9.103 26.549 3.749 466 HB3 TYR 62 3HB TYR 62 10.215 26.579 5.112 467 HD1 TYR 62 HD2 TYR 62 11.051 28.711 5.987 468 HD2 TYR 62 HD1 TYR 62 8.226 28.588 2.808 469 HE1 TYR 62 HE2 TYR 62 10.547 31.091 6.351 470 HE2 TYR 62 HE1 TYR 62 7.715 30.967 3.162 471 HH TYR 62 HH TYR 62 8.691 32.667 5.916 472 H LYS 63 H LYS 63 10.972 25.051 1.361 473 HA LYS 63 HA LYS 63 9.730 26.893 -0.554 474 HB2 LYS 63 2HB LYS 63 11.274 26.554 -2.225 475 HB3 LYS 63 3HB LYS 63 12.323 26.513 -0.813 476 HG2 LYS 63 2HG LYS 63 11.216 24.114 -2.260 477 HG3 LYS 63 3HG LYS 63 12.866 24.730 -2.374 478 HD2 LYS 63 2HD LYS 63 12.535 24.454 0.329 479 HD3 LYS 63 3HD LYS 63 11.606 23.092 -0.302 480 HE2 LYS 63 2HE LYS 63 13.495 21.976 -0.638 481 HE3 LYS 63 3HE LYS 63 14.022 23.222 -1.768 482 HZ1 LYS 63 3HZ LYS 63 14.723 22.849 1.048 483 HZ2 LYS 63 1HZ LYS 63 14.638 24.434 0.463 484 HZ3 LYS 63 2HZ LYS 63 15.694 23.325 -0.253 485 H ASN 64 H ASN 64 8.624 25.812 -2.316 486 HA ASN 64 HA ASN 64 7.567 23.215 -1.462 487 HB2 ASN 64 2HB ASN 64 5.654 23.688 -2.862 488 HB3 ASN 64 3HB ASN 64 5.977 25.097 -1.855 489 HD21 ASN 64 1HD2 ASN 64 6.909 26.942 -2.806 490 HD22 ASN 64 2HD2 ASN 64 6.804 27.220 -4.508 491 H VAL 65 H VAL 65 8.087 21.411 -2.503 492 HA VAL 65 HA VAL 65 8.740 21.472 -5.337 493 HB VAL 65 HB VAL 65 10.797 20.045 -4.904 494 HG11 VAL 65 1HG1 VAL 65 12.088 21.873 -5.197 495 HG12 VAL 65 2HG1 VAL 65 10.531 22.694 -5.315 496 HG13 VAL 65 3HG1 VAL 65 11.420 22.703 -3.792 497 HG21 VAL 65 3HG2 VAL 65 10.495 21.230 -2.146 498 HG22 VAL 65 1HG2 VAL 65 10.374 19.522 -2.568 499 HG23 VAL 65 2HG2 VAL 65 11.913 20.366 -2.739 500 H ASP 66 H ASP 66 8.446 19.506 -6.377 501 HA ASP 66 HA ASP 66 6.547 17.759 -5.319 502 HB2 ASP 66 2HB ASP 66 7.420 18.181 -7.790 503 HB3 ASP 66 3HB ASP 66 8.408 16.768 -7.430 504 H SER 67 H SER 67 10.025 17.715 -5.154 505 HA SER 67 HA SER 67 10.136 15.950 -2.996 506 HB2 SER 67 2HB SER 67 9.735 14.592 -5.442 507 HB3 SER 67 3HB SER 67 11.420 14.327 -4.994 508 HG SER 67 HG SER 67 10.446 12.792 -3.862 509 H HIS 68 H HIS 68 11.809 17.007 -5.928 510 HA HIS 68 HA HIS 68 13.879 17.887 -6.269 511 HB2 HIS 68 2HB HIS 68 13.041 18.927 -3.838 512 HB3 HIS 68 3HB HIS 68 14.644 18.290 -3.483 513 HD1 HIS 68 HD1 HIS 68 15.721 18.997 -6.447 514 HD2 HIS 68 HD2 HIS 68 13.919 21.575 -3.733 515 HE1 HIS 68 HE1 HIS 68 16.494 21.301 -7.094 516 H SER 69 H SER 69 13.370 15.000 -5.298 517 HA SER 69 HA SER 69 15.687 14.122 -3.953 518 HB2 SER 69 2HB SER 69 13.937 12.581 -3.899 519 HB3 SER 69 3HB SER 69 13.588 12.767 -5.618 520 HG SER 69 HG SER 69 14.973 11.247 -6.039 521 H SER 70 H SER 70 15.171 15.129 -7.170 522 HA SER 70 HA SER 70 17.213 13.596 -8.434 523 HB2 SER 70 2HB SER 70 15.281 15.582 -9.207 524 HB3 SER 70 3HB SER 70 16.861 16.008 -9.865 525 HG SER 70 HG SER 70 15.503 14.543 -11.159 526 H ALA 71 H ALA 71 17.327 16.117 -6.231 527 HA ALA 71 HA ALA 71 20.055 16.845 -7.080 528 HB1 ALA 71 1HB ALA 71 18.631 18.768 -7.252 529 HB2 ALA 71 2HB ALA 71 18.016 18.514 -5.618 530 HB3 ALA 71 3HB ALA 71 19.698 18.983 -5.864 531 H ILE 72 H ILE 72 17.996 15.768 -4.495 532 HA ILE 72 HA ILE 72 20.311 15.700 -2.675 533 HB ILE 72 HB ILE 72 18.790 15.632 -0.821 534 HG12 ILE 72 2HG1 ILE 72 16.583 15.557 -2.890 535 HG13 ILE 72 3HG1 ILE 72 17.040 14.242 -1.814 536 HG21 ILE 72 1HG2 ILE 72 19.064 17.793 -2.536 537 HG22 ILE 72 2HG2 ILE 72 17.340 17.742 -2.169 538 HG23 ILE 72 3HG2 ILE 72 18.518 17.841 -0.860 539 HD11 ILE 72 3HD1 ILE 72 15.265 15.059 -0.670 540 HD12 ILE 72 1HD1 ILE 72 16.529 16.072 0.027 541 HD13 ILE 72 2HD1 ILE 72 15.499 16.705 -1.258 542 H THR 73 H THR 73 20.971 13.803 -1.793 543 HA THR 73 HA THR 73 19.827 11.370 -2.932 544 HB THR 73 HB THR 73 21.832 10.275 -2.445 545 HG1 THR 73 HG1 THR 73 22.624 10.584 -0.513 546 HG21 THR 73 3HG2 THR 73 22.004 12.254 -4.074 547 HG22 THR 73 1HG2 THR 73 23.506 11.569 -3.456 548 HG23 THR 73 2HG2 THR 73 22.879 13.072 -2.780 549 H PHE 74 H PHE 74 20.019 9.403 -1.349 550 HA PHE 74 HA PHE 74 18.653 10.177 1.143 551 HB2 PHE 74 2HB PHE 74 17.961 8.295 -0.907 552 HB3 PHE 74 3HB PHE 74 18.217 7.429 0.604 553 HD1 PHE 74 HD2 PHE 74 17.124 8.740 2.705 554 HD2 PHE 74 HD1 PHE 74 15.817 8.949 -1.340 555 HE1 PHE 74 HE2 PHE 74 14.883 9.409 3.467 556 HE2 PHE 74 HE1 PHE 74 13.574 9.620 -0.584 557 HZ PHE 74 HZ PHE 74 13.104 9.850 1.822 558 H PHE 75 H PHE 75 20.611 10.399 2.302 559 HA PHE 75 HA PHE 75 21.463 8.060 3.631 560 HB2 PHE 75 2HB PHE 75 22.726 8.308 1.215 561 HB3 PHE 75 3HB PHE 75 23.850 9.132 2.291 562 HD1 PHE 75 HD2 PHE 75 21.745 6.050 2.449 563 HD2 PHE 75 HD1 PHE 75 25.576 7.819 3.008 564 HE1 PHE 75 HE2 PHE 75 22.641 3.875 3.171 565 HE2 PHE 75 HE1 PHE 75 26.478 5.647 3.730 566 HZ PHE 75 HZ PHE 75 25.009 3.671 3.813 567 H GLU 76 H GLU 76 23.903 8.771 4.608 568 HA GLU 76 HA GLU 76 23.373 11.393 5.844 569 HB2 GLU 76 2HB GLU 76 24.800 10.405 7.755 570 HB3 GLU 76 3HB GLU 76 23.136 9.863 7.587 571 HG2 GLU 76 2HG GLU 76 25.135 8.271 6.136 572 HG3 GLU 76 3HG GLU 76 25.246 8.218 7.894 573 HA PRO 77 HA PRO 77 27.278 12.875 4.503 574 HB2 PRO 77 2HB PRO 77 28.045 14.409 6.607 575 HB3 PRO 77 3HB PRO 77 26.744 14.872 5.504 576 HG2 PRO 77 2HG PRO 77 26.571 13.617 8.216 577 HG3 PRO 77 3HG PRO 77 25.600 14.932 7.528 578 HD2 PRO 77 2HD PRO 77 24.711 12.378 7.659 579 HD3 PRO 77 3HD PRO 77 24.247 13.484 6.350 580 H SER 78 H SER 78 29.601 13.355 5.581 581 HA SER 78 HA SER 78 30.433 10.782 6.728 582 HB2 SER 78 2HB SER 78 32.039 12.880 5.250 583 HB3 SER 78 3HB SER 78 32.695 11.376 5.896 584 HG SER 78 HG SER 78 30.551 11.459 4.046 585 H SER 79 H SER 79 30.170 14.132 7.401 586 HA SER 79 HA SER 79 30.561 15.337 9.295 587 HB2 SER 79 2HB SER 79 30.483 12.613 10.211 588 HB3 SER 79 3HB SER 79 31.714 13.499 11.110 589 HG SER 79 HG SER 79 30.055 14.176 12.216 590 H GLU 80 H GLU 80 33.104 12.893 9.707 591 HA GLU 80 HA GLU 80 35.129 14.756 10.234 592 HB2 GLU 80 2HB GLU 80 34.943 12.085 10.487 593 HB3 GLU 80 3HB GLU 80 35.912 12.165 9.022 594 HG2 GLU 80 2HG GLU 80 37.465 13.704 10.282 595 HG3 GLU 80 3HG GLU 80 36.571 13.265 11.737 596 H LYS 81 H LYS 81 34.110 13.210 7.236 597 HA LYS 81 HA LYS 81 36.263 14.249 5.671 598 HB2 LYS 81 2HB LYS 81 34.433 12.274 5.291 599 HB3 LYS 81 3HB LYS 81 33.752 13.549 4.290 600 HG2 LYS 81 2HG LYS 81 35.983 13.745 3.175 601 HG3 LYS 81 3HG LYS 81 36.481 12.305 4.065 602 HD2 LYS 81 2HD LYS 81 35.664 11.139 2.342 603 HD3 LYS 81 3HD LYS 81 34.066 11.562 2.961 604 HE2 LYS 81 2HE LYS 81 34.567 13.776 1.559 605 HE3 LYS 81 3HE LYS 81 35.564 12.647 0.644 606 HZ1 LYS 81 3HZ LYS 81 33.772 11.575 -0.155 607 HZ2 LYS 81 1HZ LYS 81 32.976 13.030 0.180 608 HZ3 LYS 81 2HZ LYS 81 32.878 11.741 1.272 609 H ALA 82 H ALA 82 33.420 15.591 6.925 610 HA ALA 82 HA ALA 82 33.288 17.669 4.862 611 HB1 ALA 82 1HB ALA 82 31.238 18.379 6.221 612 HB2 ALA 82 2HB ALA 82 31.140 16.868 5.316 613 HB3 ALA 82 3HB ALA 82 31.419 16.836 7.057 614 H VAL 83 H VAL 83 34.546 17.086 7.969 615 HA VAL 83 HA VAL 83 34.456 19.780 8.943 616 HB VAL 83 HB VAL 83 36.099 17.407 9.832 617 HG11 VAL 83 1HG1 VAL 83 36.287 18.863 11.957 618 HG12 VAL 83 2HG1 VAL 83 37.350 19.214 10.592 619 HG13 VAL 83 3HG1 VAL 83 35.921 20.208 10.877 620 HG21 VAL 83 3HG2 VAL 83 33.385 17.984 10.146 621 HG22 VAL 83 1HG2 VAL 83 34.326 16.772 11.014 622 HG23 VAL 83 2HG2 VAL 83 34.129 18.387 11.693 623 H THR 84 H THR 84 35.837 21.399 8.584 624 HA THR 84 HA THR 84 38.579 20.960 7.850 625 HB THR 84 HB THR 84 36.716 22.175 5.800 626 HG1 THR 84 HG1 THR 84 38.385 19.870 5.623 627 HG21 THR 84 3HG2 THR 84 39.526 22.562 6.280 628 HG22 THR 84 1HG2 THR 84 38.489 23.312 5.068 629 HG23 THR 84 2HG2 THR 84 39.277 21.772 4.724 630 H ALA 85 H ALA 85 36.069 23.468 7.442 631 HA ALA 85 HA ALA 85 36.954 25.112 9.525 632 HB1 ALA 85 1HB ALA 85 38.967 25.562 8.428 633 HB2 ALA 85 2HB ALA 85 38.187 25.681 6.850 634 HB3 ALA 85 3HB ALA 85 37.949 26.952 8.049 635 H ASN 86 H ASN 86 34.534 24.192 8.213 636 HA ASN 86 HA ASN 86 33.368 26.726 7.285 637 HB2 ASN 86 2HB ASN 86 32.564 23.851 6.880 638 HB3 ASN 86 3HB ASN 86 31.451 25.178 6.560 639 HD21 ASN 86 1HD2 ASN 86 31.723 26.427 4.769 640 HD22 ASN 86 2HD2 ASN 86 32.890 26.091 3.540 641 H GLU 87 H GLU 87 32.547 27.837 8.943 642 HA GLU 87 HA GLU 87 31.725 26.793 11.396 643 HB2 GLU 87 2HB GLU 87 30.556 28.986 11.697 644 HB3 GLU 87 3HB GLU 87 32.241 29.124 11.217 645 HG2 GLU 87 2HG GLU 87 31.448 29.419 8.859 646 HG3 GLU 87 3HG GLU 87 29.808 29.518 9.498 647 H ASP 88 H ASP 88 29.795 27.694 8.554 648 HA ASP 88 HA ASP 88 27.290 27.022 9.670 649 HB2 ASP 88 2HB ASP 88 26.589 26.892 7.209 650 HB3 ASP 88 3HB ASP 88 27.234 28.429 7.779 651 H LEU 89 H LEU 89 29.578 25.196 7.675 652 HA LEU 89 HA LEU 89 28.019 22.907 7.286 653 HB2 LEU 89 2HB LEU 89 30.248 23.574 6.215 654 HB3 LEU 89 3HB LEU 89 31.000 22.848 7.634 655 HG LEU 89 HG LEU 89 30.012 20.688 7.059 656 HD11 LEU 89 1HD1 LEU 89 28.261 20.533 5.714 657 HD12 LEU 89 2HD1 LEU 89 29.217 21.170 4.376 658 HD13 LEU 89 3HD1 LEU 89 28.326 22.272 5.425 659 HD21 LEU 89 3HD2 LEU 89 32.225 21.553 6.104 660 HD22 LEU 89 1HD2 LEU 89 31.344 21.753 4.590 661 HD23 LEU 89 2HD2 LEU 89 31.485 20.155 5.324 662 H LEU 90 H LEU 90 30.068 23.885 9.967 663 HA LEU 90 HA LEU 90 30.207 21.451 11.335 664 HB2 LEU 90 2HB LEU 90 31.625 23.200 12.032 665 HB3 LEU 90 3HB LEU 90 30.273 24.307 12.261 666 HG LEU 90 HG LEU 90 29.555 23.031 14.219 667 HD11 LEU 90 1HD1 LEU 90 30.229 20.825 13.741 668 HD12 LEU 90 2HD1 LEU 90 31.195 21.330 15.126 669 HD13 LEU 90 3HD1 LEU 90 31.911 21.303 13.515 670 HD21 LEU 90 3HD2 LEU 90 30.871 24.753 14.939 671 HD22 LEU 90 1HD2 LEU 90 32.283 24.199 14.039 672 HD23 LEU 90 2HD2 LEU 90 31.817 23.387 15.533 673 H GLN 91 H GLN 91 27.878 24.120 11.695 674 HA GLN 91 HA GLN 91 26.296 22.846 13.655 675 HB2 GLN 91 2HB GLN 91 26.362 25.346 12.477 676 HB3 GLN 91 3HB GLN 91 24.834 24.679 11.915 677 HG2 GLN 91 2HG GLN 91 25.544 24.532 14.809 678 HG3 GLN 91 3HG GLN 91 24.932 26.037 14.123 679 HE21 GLN 91 1HE2 GLN 91 22.893 26.228 14.714 680 HE22 GLN 91 2HE2 GLN 91 21.686 24.997 14.611 681 H ALA 92 H ALA 92 26.131 22.925 10.132 682 HA ALA 92 HA ALA 92 23.643 21.659 9.827 683 HB1 ALA 92 1HB ALA 92 25.838 22.444 8.132 684 HB2 ALA 92 2HB ALA 92 25.194 20.875 7.646 685 HB3 ALA 92 3HB ALA 92 24.125 22.274 7.747 686 H ILE 93 H ILE 93 26.905 20.364 10.200 687 HA ILE 93 HA ILE 93 26.363 17.683 9.610 688 HB ILE 93 HB ILE 93 28.408 18.887 11.473 689 HG12 ILE 93 2HG1 ILE 93 29.103 17.568 8.901 690 HG13 ILE 93 3HG1 ILE 93 28.297 19.130 8.804 691 HG21 ILE 93 1HG2 ILE 93 27.962 16.041 10.634 692 HG22 ILE 93 2HG2 ILE 93 29.550 16.625 11.128 693 HG23 ILE 93 3HG2 ILE 93 28.197 16.692 12.256 694 HD11 ILE 93 3HD1 ILE 93 31.033 18.512 9.421 695 HD12 ILE 93 1HD1 ILE 93 30.285 20.064 9.049 696 HD13 ILE 93 2HD1 ILE 93 30.297 19.466 10.708 697 H ARG 94 H ARG 94 26.000 19.519 12.596 698 HA ARG 94 HA ARG 94 25.461 17.318 14.287 699 HB2 ARG 94 2HB ARG 94 25.908 19.953 14.708 700 HB3 ARG 94 3HB ARG 94 24.163 19.898 14.919 701 HG2 ARG 94 2HG ARG 94 24.337 18.347 16.702 702 HG3 ARG 94 3HG ARG 94 26.048 18.064 16.372 703 HD2 ARG 94 2HD ARG 94 26.526 20.404 16.967 704 HD3 ARG 94 3HD ARG 94 24.820 20.643 17.340 705 HE ARG 94 HE ARG 94 25.909 18.468 18.811 706 HH11 ARG 94 1HH1 ARG 94 25.768 21.944 18.684 707 HH12 ARG 94 2HH1 ARG 94 26.027 22.147 20.385 708 HH21 ARG 94 1HH2 ARG 94 26.251 18.722 21.052 709 HH22 ARG 94 2HH2 ARG 94 26.302 20.314 21.731 710 H ASN 95 H ASN 95 23.329 19.555 12.535 711 HA ASN 95 HA ASN 95 20.888 18.536 13.434 712 HB2 ASN 95 2HB ASN 95 21.418 19.694 10.691 713 HB3 ASN 95 3HB ASN 95 19.884 19.667 11.556 714 HD21 ASN 95 1HD2 ASN 95 21.659 21.850 10.489 715 HD22 ASN 95 2HD2 ASN 95 21.850 22.934 11.821 716 H ALA 96 H ALA 96 22.540 17.840 10.347 717 HA ALA 96 HA ALA 96 20.880 15.913 9.342 718 HB1 ALA 96 1HB ALA 96 23.719 15.249 9.033 719 HB2 ALA 96 2HB ALA 96 22.487 15.573 7.813 720 HB3 ALA 96 3HB ALA 96 23.302 16.912 8.621 721 H GLU 97 H GLU 97 23.269 15.572 11.895 722 HA GLU 97 HA GLU 97 23.154 12.728 12.026 723 HB2 GLU 97 2HB GLU 97 25.102 13.772 12.902 724 HB3 GLU 97 3HB GLU 97 24.155 14.837 13.931 725 HG2 GLU 97 2HG GLU 97 23.493 12.973 15.317 726 HG3 GLU 97 3HG GLU 97 24.337 11.851 14.252 727 H GLU 98 H GLU 98 21.571 15.347 13.806 728 HA GLU 98 HA GLU 98 20.201 13.660 15.630 729 HB2 GLU 98 2HB GLU 98 19.428 15.580 16.536 730 HB3 GLU 98 3HB GLU 98 20.630 16.330 15.495 731 HG2 GLU 98 2HG GLU 98 18.856 16.593 13.763 732 HG3 GLU 98 3HG GLU 98 17.689 16.026 14.955 733 H ASP 99 H ASP 99 19.452 14.913 12.443 734 HA ASP 99 HA ASP 99 16.725 13.950 12.520 735 HB2 ASP 99 2HB ASP 99 18.408 15.297 10.417 736 HB3 ASP 99 3HB ASP 99 16.819 14.637 10.043 737 H LYS 100 H LYS 100 16.650 11.764 12.642 738 HA LYS 100 HA LYS 100 17.639 10.294 10.317 739 HB2 LYS 100 2HB LYS 100 18.347 9.723 13.180 740 HB3 LYS 100 3HB LYS 100 18.299 8.426 11.994 741 HG2 LYS 100 2HG LYS 100 19.891 9.851 10.610 742 HG3 LYS 100 3HG LYS 100 20.106 10.819 12.071 743 HD2 LYS 100 2HD LYS 100 20.570 7.842 11.890 744 HD3 LYS 100 3HD LYS 100 21.837 9.068 11.795 745 HE2 LYS 100 2HE LYS 100 20.999 9.883 14.053 746 HE3 LYS 100 3HE LYS 100 20.066 8.390 14.130 747 HZ1 LYS 100 3HZ LYS 100 22.396 7.354 13.578 748 HZ2 LYS 100 1HZ LYS 100 21.966 7.739 15.168 749 HZ3 LYS 100 2HZ LYS 100 22.963 8.782 14.286 750 H GLU 101 H GLU 101 15.063 10.999 10.589 751 HA GLU 101 HA GLU 101 12.926 10.218 10.655 752 HB2 GLU 101 2HB GLU 101 14.111 8.478 9.201 753 HB3 GLU 101 3HB GLU 101 14.109 7.447 10.625 754 HG2 GLU 101 2HG GLU 101 11.515 8.150 10.554 755 HG3 GLU 101 3HG GLU 101 11.904 8.214 8.836 756 H SER 102 H SER 102 14.493 10.508 13.180 757 HA SER 102 HA SER 102 12.512 9.493 14.956 758 HB2 SER 102 2HB SER 102 14.039 7.475 14.443 759 HB3 SER 102 3HB SER 102 15.246 8.315 15.416 760 HG SER 102 HG SER 102 12.767 7.238 16.190 761 H ASN 103 H ASN 103 13.462 12.035 14.439 762 HA ASN 103 HA ASN 103 15.426 12.818 16.376 763 HB2 ASN 103 2HB ASN 103 14.851 13.989 14.154 764 HB3 ASN 103 3HB ASN 103 13.489 14.686 15.025 765 HD21 ASN 103 1HD2 ASN 103 14.528 16.717 14.512 766 HD22 ASN 103 2HD2 ASN 103 15.795 17.300 15.532 767 H ALA 104 H ALA 104 15.138 13.766 18.351 768 HA ALA 104 HA ALA 104 14.136 14.312 20.321 769 HB1 ALA 104 1HB ALA 104 12.150 15.550 20.284 770 HB2 ALA 104 2HB ALA 104 12.903 15.877 18.722 771 HB3 ALA 104 3HB ALA 104 11.564 14.735 18.833 772 H LEU 105 H LEU 105 14.063 11.556 19.249 773 HA LEU 105 HA LEU 105 11.666 10.538 20.618 774 HB2 LEU 105 2HB LEU 105 12.557 9.956 18.122 775 HB3 LEU 105 3HB LEU 105 13.311 8.666 19.057 776 HG LEU 105 HG LEU 105 11.207 7.925 18.100 777 HD11 LEU 105 1HD1 LEU 105 11.969 7.152 20.367 778 HD12 LEU 105 2HD1 LEU 105 10.242 6.986 20.052 779 HD13 LEU 105 3HD1 LEU 105 10.831 8.307 21.061 780 HD21 LEU 105 3HD2 LEU 105 9.299 9.099 18.117 781 HD22 LEU 105 1HD2 LEU 105 10.332 10.474 18.509 782 HD23 LEU 105 2HD2 LEU 105 9.505 9.597 19.797 783 H ARG 106 H ARG 106 15.160 10.036 20.272 784 HA ARG 106 HA ARG 106 15.319 8.077 22.337 785 HB2 ARG 106 2HB ARG 106 16.977 8.333 20.479 786 HB3 ARG 106 3HB ARG 106 17.538 9.813 21.245 787 HG2 ARG 106 2HG ARG 106 19.062 8.361 22.089 788 HG3 ARG 106 3HG ARG 106 17.813 8.204 23.325 789 HD2 ARG 106 2HD ARG 106 17.679 6.420 20.949 790 HD3 ARG 106 3HD ARG 106 18.908 6.091 22.170 791 HE ARG 106 HE ARG 106 16.092 5.651 22.400 792 HH11 ARG 106 1HH1 ARG 106 18.993 6.376 24.183 793 HH12 ARG 106 2HH1 ARG 106 18.402 5.711 25.670 794 HH21 ARG 106 1HH2 ARG 106 15.303 4.772 24.351 795 HH22 ARG 106 2HH2 ARG 106 16.303 4.798 25.764 796 H PHE 107 H PHE 107 16.587 11.414 22.223 797 HA PHE 107 HA PHE 107 15.886 11.706 25.056 798 HB2 PHE 107 2HB PHE 107 18.587 11.781 23.864 799 HB3 PHE 107 3HB PHE 107 18.217 13.100 24.970 800 HD1 PHE 107 HD2 PHE 107 17.649 12.623 27.319 801 HD2 PHE 107 HD1 PHE 107 18.914 9.562 24.645 802 HE1 PHE 107 HE2 PHE 107 18.124 11.153 29.233 803 HE2 PHE 107 HE1 PHE 107 19.391 8.086 26.556 804 HZ PHE 107 HZ PHE 107 18.997 8.881 28.853 805 H GLU 108 H GLU 108 16.395 14.121 25.703 806 HA GLU 108 HA GLU 108 14.764 15.733 23.983 807 HB2 GLU 108 2HB GLU 108 16.261 16.400 26.522 808 HB3 GLU 108 3HB GLU 108 15.171 17.504 25.695 809 HG2 GLU 108 2HG GLU 108 14.168 14.815 26.473 810 HG3 GLU 108 3HG GLU 108 14.358 16.051 27.715 811 HA PRO 109 HA PRO 109 17.895 17.635 21.549 812 HB2 PRO 109 2HB PRO 109 16.634 19.959 20.934 813 HB3 PRO 109 3HB PRO 109 16.187 18.406 20.220 814 HG2 PRO 109 2HG PRO 109 14.911 19.884 22.489 815 HG3 PRO 109 3HG PRO 109 14.144 19.034 21.135 816 HD2 PRO 109 2HD PRO 109 14.362 17.944 23.604 817 HD3 PRO 109 3HD PRO 109 14.402 16.967 22.122 818 H THR 110 H THR 110 18.703 20.115 21.277 819 HA THR 110 HA THR 110 19.063 21.339 23.906 820 HB THR 110 HB THR 110 21.552 21.122 22.318 821 HG1 THR 110 HG1 THR 110 21.947 19.011 23.174 822 HG21 THR 110 3HG2 THR 110 22.569 21.009 24.494 823 HG22 THR 110 1HG2 THR 110 21.007 20.726 25.260 824 HG23 THR 110 2HG2 THR 110 21.354 22.287 24.517 Start of MODEL 18 1 H1 MET 1 H MET 1 10.946 3.341 -8.890 2 HA MET 1 HA MET 1 8.528 4.057 -9.162 3 HB2 MET 1 2HB MET 1 8.610 1.956 -10.940 4 HB3 MET 1 3HB MET 1 7.754 1.263 -9.569 5 HG2 MET 1 2HG MET 1 6.445 3.584 -9.763 6 HG3 MET 1 3HG MET 1 6.935 3.387 -11.444 7 HE1 MET 1 3HE MET 1 4.273 3.812 -10.803 8 HE2 MET 1 1HE MET 1 3.959 2.886 -12.271 9 HE3 MET 1 2HE MET 1 3.130 2.468 -10.771 10 H LEU 2 H LEU 2 8.021 4.321 -7.097 11 HA LEU 2 HA LEU 2 7.613 3.921 -4.897 12 HB2 LEU 2 2HB LEU 2 6.200 2.109 -5.949 13 HB3 LEU 2 3HB LEU 2 7.529 1.001 -5.617 14 HG LEU 2 HG LEU 2 6.613 2.511 -3.277 15 HD11 LEU 2 1HD1 LEU 2 4.692 0.605 -3.265 16 HD12 LEU 2 2HD1 LEU 2 4.700 1.059 -4.969 17 HD13 LEU 2 3HD1 LEU 2 4.425 2.285 -3.731 18 HD21 LEU 2 3HD2 LEU 2 8.084 0.252 -3.776 19 HD22 LEU 2 1HD2 LEU 2 6.530 -0.406 -3.263 20 HD23 LEU 2 2HD2 LEU 2 7.403 0.710 -2.214 21 H GLN 3 H GLN 3 8.508 2.853 -2.923 22 HA GLN 3 HA GLN 3 11.090 1.570 -3.226 23 HB2 GLN 3 2HB GLN 3 12.275 3.240 -1.861 24 HB3 GLN 3 3HB GLN 3 11.699 3.923 -3.376 25 HG2 GLN 3 2HG GLN 3 9.730 4.819 -2.115 26 HG3 GLN 3 3HG GLN 3 10.533 4.304 -0.632 27 HE21 GLN 3 1HE2 GLN 3 11.038 6.252 -3.541 28 HE22 GLN 3 2HE2 GLN 3 12.016 7.455 -2.779 29 H GLU 4 H GLU 4 11.947 0.767 -1.199 30 HA GLU 4 HA GLU 4 9.817 -0.055 0.579 31 HB2 GLU 4 2HB GLU 4 12.101 -1.279 -0.333 32 HB3 GLU 4 3HB GLU 4 12.554 -0.822 1.303 33 HG2 GLU 4 2HG GLU 4 11.338 -2.448 2.185 34 HG3 GLU 4 3HG GLU 4 9.921 -1.998 1.238 35 H ARG 5 H ARG 5 12.446 2.202 0.565 36 HA ARG 5 HA ARG 5 12.951 2.572 3.254 37 HB2 ARG 5 2HB ARG 5 13.372 4.048 0.817 38 HB3 ARG 5 3HB ARG 5 12.919 5.147 2.113 39 HG2 ARG 5 2HG ARG 5 15.195 3.176 2.165 40 HG3 ARG 5 3HG ARG 5 15.325 4.926 1.978 41 HD2 ARG 5 2HD ARG 5 14.161 5.122 4.212 42 HD3 ARG 5 3HD ARG 5 14.393 3.384 4.388 43 HE ARG 5 HE ARG 5 16.809 4.831 3.798 44 HH11 ARG 5 1HH1 ARG 5 14.666 3.719 6.307 45 HH12 ARG 5 2HH1 ARG 5 15.882 3.750 7.540 46 HH21 ARG 5 1HH2 ARG 5 18.419 4.876 5.413 47 HH22 ARG 5 2HH2 ARG 5 18.017 4.409 7.031 48 H VAL 6 H VAL 6 12.278 4.487 4.597 49 HA VAL 6 HA VAL 6 9.372 4.925 4.344 50 HB VAL 6 HB VAL 6 10.929 4.842 6.929 51 HG11 VAL 6 1HG1 VAL 6 8.585 4.576 7.858 52 HG12 VAL 6 2HG1 VAL 6 8.995 6.166 7.211 53 HG13 VAL 6 3HG1 VAL 6 8.004 5.055 6.264 54 HG21 VAL 6 3HG2 VAL 6 9.238 2.711 5.626 55 HG22 VAL 6 1HG2 VAL 6 10.968 2.636 5.965 56 HG23 VAL 6 2HG2 VAL 6 9.809 2.658 7.294 57 H PHE 7 H PHE 7 8.555 6.959 4.838 58 HA PHE 7 HA PHE 7 10.568 9.103 4.892 59 HB2 PHE 7 2HB PHE 7 7.753 9.009 3.815 60 HB3 PHE 7 3HB PHE 7 8.615 10.525 4.058 61 HD1 PHE 7 HD1 PHE 7 8.576 7.368 2.167 62 HD2 PHE 7 HD2 PHE 7 10.317 11.231 2.564 63 HE1 PHE 7 HE1 PHE 7 9.634 7.113 -0.040 64 HE2 PHE 7 HE2 PHE 7 11.377 10.984 0.357 65 HZ PHE 7 HZ PHE 7 11.036 8.923 -0.948 66 H HIS 8 H HIS 8 10.678 10.443 6.579 67 HA HIS 8 HA HIS 8 8.410 10.547 8.449 68 HB2 HIS 8 2HB HIS 8 10.418 9.066 9.171 69 HB3 HIS 8 3HB HIS 8 11.247 10.596 9.441 70 HD1 HIS 8 HD1 HIS 8 7.697 9.536 10.324 71 HD2 HIS 8 HD2 HIS 8 11.160 10.973 12.115 72 HE1 HIS 8 HE1 HIS 8 7.108 9.886 12.744 73 H ILE 9 H ILE 9 8.560 12.438 9.950 74 HA ILE 9 HA ILE 9 8.672 14.830 8.574 75 HB ILE 9 HB ILE 9 7.496 14.706 10.663 76 HG12 ILE 9 2HG1 ILE 9 9.540 16.551 11.643 77 HG13 ILE 9 3HG1 ILE 9 9.169 16.791 9.939 78 HG21 ILE 9 1HG2 ILE 9 9.033 13.065 11.725 79 HG22 ILE 9 2HG2 ILE 9 10.155 14.386 12.044 80 HG23 ILE 9 3HG2 ILE 9 8.558 14.387 12.792 81 HD11 ILE 9 3HD1 ILE 9 6.726 16.485 11.351 82 HD12 ILE 9 1HD1 ILE 9 7.723 17.669 12.196 83 HD13 ILE 9 2HD1 ILE 9 7.340 17.896 10.489 84 H ASN 10 H ASN 10 11.185 13.278 10.521 85 HA ASN 10 HA ASN 10 13.049 15.400 10.385 86 HB2 ASN 10 2HB ASN 10 13.032 12.611 11.289 87 HB3 ASN 10 3HB ASN 10 14.590 13.135 10.656 88 HD21 ASN 10 1HD2 ASN 10 12.143 15.016 12.364 89 HD22 ASN 10 2HD2 ASN 10 13.141 15.420 13.715 90 H ASP 11 H ASP 11 12.701 12.422 8.477 91 HA ASP 11 HA ASP 11 13.655 11.759 6.509 92 HB2 ASP 11 2HB ASP 11 12.409 14.316 6.165 93 HB3 ASP 11 3HB ASP 11 13.822 14.223 5.117 94 H ARG 12 H ARG 12 15.720 11.209 7.235 95 HA ARG 12 HA ARG 12 17.811 13.184 7.374 96 HB2 ARG 12 2HB ARG 12 19.280 11.174 7.738 97 HB3 ARG 12 3HB ARG 12 17.972 11.357 8.899 98 HG2 ARG 12 2HG ARG 12 17.160 9.360 8.396 99 HG3 ARG 12 3HG ARG 12 17.118 9.751 6.675 100 HD2 ARG 12 2HD ARG 12 18.644 8.099 6.533 101 HD3 ARG 12 3HD ARG 12 19.763 9.373 7.014 102 HE ARG 12 HE ARG 12 20.054 8.306 9.015 103 HH11 ARG 12 1HH1 ARG 12 17.176 7.081 7.486 104 HH12 ARG 12 2HH1 ARG 12 16.935 5.822 8.652 105 HH21 ARG 12 1HH2 ARG 12 19.748 6.653 10.556 106 HH22 ARG 12 2HH2 ARG 12 18.398 5.580 10.398 107 H VAL 13 H VAL 13 18.394 14.079 5.485 108 HA VAL 13 HA VAL 13 19.493 12.320 3.435 109 HB VAL 13 HB VAL 13 18.372 13.853 1.678 110 HG11 VAL 13 1HG1 VAL 13 17.185 12.029 1.216 111 HG12 VAL 13 2HG1 VAL 13 17.723 11.373 2.763 112 HG13 VAL 13 3HG1 VAL 13 16.189 12.237 2.655 113 HG21 VAL 13 3HG2 VAL 13 16.193 14.732 2.311 114 HG22 VAL 13 1HG2 VAL 13 16.445 14.200 3.973 115 HG23 VAL 13 2HG2 VAL 13 17.463 15.467 3.289 116 H TRP 14 H TRP 14 20.547 13.720 1.658 117 HA TRP 14 HA TRP 14 21.823 16.052 2.932 118 HB2 TRP 14 2HB TRP 14 23.019 13.875 1.225 119 HB3 TRP 14 3HB TRP 14 23.818 15.430 1.442 120 HD1 TRP 14 HD1 TRP 14 23.682 12.081 2.921 121 HE1 TRP 14 HE1 TRP 14 24.761 12.059 5.258 122 HE3 TRP 14 HE3 TRP 14 23.927 17.120 3.749 123 HZ2 TRP 14 HZ2 TRP 14 25.604 13.930 7.196 124 HZ3 TRP 14 HZ3 TRP 14 24.883 17.921 5.870 125 HH2 TRP 14 HH2 TRP 14 25.703 16.358 7.557 126 H LEU 15 H LEU 15 21.853 17.914 1.814 127 HA LEU 15 HA LEU 15 20.802 17.853 -0.936 128 HB2 LEU 15 2HB LEU 15 19.532 19.042 0.957 129 HB3 LEU 15 3HB LEU 15 20.800 20.262 0.852 130 HG LEU 15 HG LEU 15 19.490 19.595 -1.699 131 HD11 LEU 15 1HD1 LEU 15 17.698 21.398 -0.737 132 HD12 LEU 15 2HD1 LEU 15 17.941 20.358 0.667 133 HD13 LEU 15 3HD1 LEU 15 17.412 19.662 -0.865 134 HD21 LEU 15 3HD2 LEU 15 19.711 21.926 -2.076 135 HD22 LEU 15 1HD2 LEU 15 21.196 21.399 -1.284 136 HD23 LEU 15 2HD2 LEU 15 19.958 22.250 -0.360 137 H LYS 16 H LYS 16 21.998 18.653 -2.553 138 HA LYS 16 HA LYS 16 24.694 19.532 -1.969 139 HB2 LYS 16 2HB LYS 16 24.420 17.966 -3.776 140 HB3 LYS 16 3HB LYS 16 23.236 19.003 -4.562 141 HG2 LYS 16 2HG LYS 16 25.336 19.158 -5.717 142 HG3 LYS 16 3HG LYS 16 24.994 20.694 -4.916 143 HD2 LYS 16 2HD LYS 16 27.305 20.168 -4.569 144 HD3 LYS 16 3HD LYS 16 26.459 19.953 -3.035 145 HE2 LYS 16 2HE LYS 16 28.064 18.138 -3.511 146 HE3 LYS 16 3HE LYS 16 26.406 17.562 -3.351 147 HZ1 LYS 16 3HZ LYS 16 26.221 17.281 -5.662 148 HZ2 LYS 16 1HZ LYS 16 27.732 16.634 -5.260 149 HZ3 LYS 16 2HZ LYS 16 27.631 18.161 -5.979 150 H THR 17 H THR 17 25.051 21.592 -1.486 151 HA THR 17 HA THR 17 23.286 23.713 -2.035 152 HB THR 17 HB THR 17 26.219 24.166 -1.578 153 HG1 THR 17 HG1 THR 17 24.292 23.277 0.325 154 HG21 THR 17 3HG2 THR 17 24.758 26.110 -1.884 155 HG22 THR 17 1HG2 THR 17 25.394 26.043 -0.241 156 HG23 THR 17 2HG2 THR 17 23.732 25.549 -0.564 157 H GLY 18 H GLY 18 26.157 22.532 -3.718 158 HA2 GLY 18 2HA GLY 18 25.413 23.326 -6.248 159 HA3 GLY 18 3HA GLY 18 26.280 24.699 -5.576 160 H ALA 19 H ALA 19 28.386 23.852 -4.345 161 HA ALA 19 HA ALA 19 29.708 21.661 -5.667 162 HB1 ALA 19 1HB ALA 19 30.344 24.499 -6.376 163 HB2 ALA 19 2HB ALA 19 31.592 23.254 -6.438 164 HB3 ALA 19 3HB ALA 19 30.144 23.100 -7.432 165 H ASN 20 H ASN 20 30.817 20.723 -4.093 166 HA ASN 20 HA ASN 20 32.157 20.392 -2.285 167 HB2 ASN 20 2HB ASN 20 33.085 22.911 -3.423 168 HB3 ASN 20 3HB ASN 20 33.362 22.819 -1.686 169 HD21 ASN 20 1HD2 ASN 20 34.638 21.107 -0.865 170 HD22 ASN 20 2HD2 ASN 20 35.789 20.301 -1.871 171 H THR 21 H THR 21 29.425 21.912 -2.226 172 HA THR 21 HA THR 21 29.535 22.441 0.662 173 HB THR 21 HB THR 21 27.592 24.179 -0.090 174 HG1 THR 21 HG1 THR 21 28.196 23.817 -2.336 175 HG21 THR 21 3HG2 THR 21 30.536 24.557 0.354 176 HG22 THR 21 1HG2 THR 21 29.197 24.890 1.452 177 HG23 THR 21 2HG2 THR 21 29.476 25.936 0.059 178 H TRP 22 H TRP 22 28.164 21.154 1.687 179 HA TRP 22 HA TRP 22 25.591 20.518 0.422 180 HB2 TRP 22 2HB TRP 22 26.026 18.197 1.695 181 HB3 TRP 22 3HB TRP 22 26.502 18.467 0.021 182 HD1 TRP 22 HD1 TRP 22 27.980 18.147 3.539 183 HE1 TRP 22 HE1 TRP 22 30.512 17.731 3.330 184 HE3 TRP 22 HE3 TRP 22 28.507 18.852 -1.497 185 HZ2 TRP 22 HZ2 TRP 22 32.473 17.707 1.300 186 HZ3 TRP 22 HZ3 TRP 22 30.744 18.614 -2.494 187 HH2 TRP 22 HH2 TRP 22 32.684 18.054 -1.122 188 H TRP 23 H TRP 23 23.861 20.440 1.784 189 HA TRP 23 HA TRP 23 24.386 20.725 4.664 190 HB2 TRP 23 2HB TRP 23 23.168 22.656 2.880 191 HB3 TRP 23 3HB TRP 23 22.053 22.187 4.160 192 HD1 TRP 23 HD1 TRP 23 25.883 22.715 4.446 193 HE1 TRP 23 HE1 TRP 23 26.304 24.499 6.253 194 HE3 TRP 23 HE3 TRP 23 21.038 23.940 5.520 195 HZ2 TRP 23 HZ2 TRP 23 24.783 26.200 7.914 196 HZ3 TRP 23 HZ3 TRP 23 20.606 25.655 7.231 197 HH2 TRP 23 HH2 TRP 23 22.441 26.760 8.403 198 HA PRO 24 HA PRO 24 21.301 17.670 5.298 199 HB2 PRO 24 2HB PRO 24 20.174 18.496 7.626 200 HB3 PRO 24 3HB PRO 24 21.794 17.793 7.539 201 HG2 PRO 24 2HG PRO 24 20.984 20.670 7.694 202 HG3 PRO 24 3HG PRO 24 22.289 19.828 8.549 203 HD2 PRO 24 2HD PRO 24 22.732 21.361 6.361 204 HD3 PRO 24 3HD PRO 24 23.710 19.928 6.737 205 H ALA 25 H ALA 25 19.236 17.256 4.712 206 HA ALA 25 HA ALA 25 17.400 19.548 4.456 207 HB1 ALA 25 1HB ALA 25 17.734 19.150 2.247 208 HB2 ALA 25 2HB ALA 25 18.150 17.454 2.500 209 HB3 ALA 25 3HB ALA 25 16.462 17.962 2.534 210 H LYS 26 H LYS 26 15.411 19.320 5.297 211 HA LYS 26 HA LYS 26 14.551 16.631 6.130 212 HB2 LYS 26 2HB LYS 26 15.209 17.564 8.172 213 HB3 LYS 26 3HB LYS 26 14.635 19.168 7.732 214 HG2 LYS 26 2HG LYS 26 12.530 17.143 7.829 215 HG3 LYS 26 3HG LYS 26 13.339 17.422 9.373 216 HD2 LYS 26 2HD LYS 26 12.317 19.677 7.667 217 HD3 LYS 26 3HD LYS 26 11.298 18.860 8.854 218 HE2 LYS 26 2HE LYS 26 12.947 19.415 10.603 219 HE3 LYS 26 3HE LYS 26 13.899 20.288 9.403 220 HZ1 LYS 26 3HZ LYS 26 11.471 21.075 10.761 221 HZ2 LYS 26 1HZ LYS 26 11.484 21.407 9.102 222 HZ3 LYS 26 2HZ LYS 26 12.700 22.030 10.098 223 H VAL 27 H VAL 27 12.524 16.102 5.585 224 HA VAL 27 HA VAL 27 10.884 18.154 4.285 225 HB VAL 27 HB VAL 27 10.423 15.172 4.272 226 HG11 VAL 27 1HG1 VAL 27 9.496 16.441 1.933 227 HG12 VAL 27 2HG1 VAL 27 8.541 15.707 3.223 228 HG13 VAL 27 3HG1 VAL 27 8.953 17.421 3.295 229 HG21 VAL 27 3HG2 VAL 27 12.339 16.823 2.772 230 HG22 VAL 27 1HG2 VAL 27 12.348 15.092 3.107 231 HG23 VAL 27 2HG2 VAL 27 11.361 15.731 1.792 232 H THR 28 H THR 28 9.255 19.035 5.356 233 HA THR 28 HA THR 28 8.368 17.947 7.873 234 HB THR 28 HB THR 28 8.565 20.350 7.686 235 HG1 THR 28 HG1 THR 28 6.919 20.352 9.005 236 HG21 THR 28 3HG2 THR 28 8.219 21.056 5.545 237 HG22 THR 28 1HG2 THR 28 6.620 21.404 6.200 238 HG23 THR 28 2HG2 THR 28 6.891 19.930 5.270 239 H SER 29 H SER 29 7.579 17.317 4.715 240 HA SER 29 HA SER 29 5.893 16.166 3.711 241 HB2 SER 29 2HB SER 29 6.143 14.951 6.079 242 HB3 SER 29 3HB SER 29 4.511 15.587 6.286 243 HG SER 29 HG SER 29 3.812 14.128 4.954 244 H VAL 30 H VAL 30 5.528 18.788 3.603 245 HA VAL 30 HA VAL 30 2.670 19.175 4.217 246 HB VAL 30 HB VAL 30 4.820 21.292 4.065 247 HG11 VAL 30 1HG1 VAL 30 1.887 21.411 4.004 248 HG12 VAL 30 2HG1 VAL 30 2.653 22.497 5.164 249 HG13 VAL 30 3HG1 VAL 30 3.084 22.584 3.455 250 HG21 VAL 30 3HG2 VAL 30 3.183 20.483 6.457 251 HG22 VAL 30 1HG2 VAL 30 4.776 19.812 6.110 252 HG23 VAL 30 2HG2 VAL 30 4.594 21.540 6.411 253 H THR 31 H THR 31 1.499 19.043 2.427 254 HA THR 31 HA THR 31 2.596 19.335 -0.185 255 HB THR 31 HB THR 31 0.709 17.829 0.239 256 HG1 THR 31 HG1 THR 31 -0.146 18.241 -1.695 257 HG21 THR 31 3HG2 THR 31 -1.234 18.442 1.195 258 HG22 THR 31 1HG2 THR 31 -1.309 19.959 0.300 259 HG23 THR 31 2HG2 THR 31 -0.326 19.844 1.760 260 H GLY 32 H GLY 32 1.526 20.802 -1.834 261 HA2 GLY 32 2HA GLY 32 1.073 23.470 -0.643 262 HA3 GLY 32 3HA GLY 32 2.058 23.233 -2.079 263 H VAL 33 H VAL 33 -1.045 21.732 -1.267 264 HA VAL 33 HA VAL 33 -2.427 23.364 -3.235 265 HB VAL 33 HB VAL 33 -2.217 20.365 -3.546 266 HG11 VAL 33 1HG1 VAL 33 -4.275 20.537 -4.403 267 HG12 VAL 33 2HG1 VAL 33 -4.201 22.299 -4.459 268 HG13 VAL 33 3HG1 VAL 33 -3.500 21.343 -5.766 269 HG21 VAL 33 3HG2 VAL 33 -0.265 21.320 -4.457 270 HG22 VAL 33 1HG2 VAL 33 -1.342 21.060 -5.830 271 HG23 VAL 33 2HG2 VAL 33 -1.154 22.676 -5.150 272 H GLU 34 H GLU 34 -3.114 20.163 -1.847 273 HA GLU 34 HA GLU 34 -4.744 21.001 0.257 274 HB2 GLU 34 2HB GLU 34 -6.987 20.415 -0.770 275 HB3 GLU 34 3HB GLU 34 -6.284 21.946 -1.272 276 HG2 GLU 34 2HG GLU 34 -5.976 21.269 -3.405 277 HG3 GLU 34 3HG GLU 34 -5.664 19.595 -2.947 278 H GLY 35 H GLY 35 -2.836 18.957 -0.409 279 HA2 GLY 35 2HA GLY 35 -2.665 16.824 0.610 280 HA3 GLY 35 3HA GLY 35 -4.406 16.638 0.454 281 H VAL 36 H VAL 36 -2.290 17.677 -2.148 282 HA VAL 36 HA VAL 36 -3.223 15.469 -3.778 283 HB VAL 36 HB VAL 36 -1.270 17.634 -4.558 284 HG11 VAL 36 1HG1 VAL 36 -2.311 15.338 -5.893 285 HG12 VAL 36 2HG1 VAL 36 -2.916 16.790 -6.693 286 HG13 VAL 36 3HG1 VAL 36 -1.180 16.551 -6.493 287 HG21 VAL 36 3HG2 VAL 36 -4.277 17.629 -4.812 288 HG22 VAL 36 1HG2 VAL 36 -3.329 18.649 -3.730 289 HG23 VAL 36 2HG2 VAL 36 -3.188 18.846 -5.476 290 H ASP 37 H ASP 37 -0.629 16.051 -1.719 291 HA ASP 37 HA ASP 37 1.570 14.925 -2.950 292 HB2 ASP 37 2HB ASP 37 1.503 15.977 -0.667 293 HB3 ASP 37 3HB ASP 37 0.805 14.478 -0.060 294 H GLY 38 H GLY 38 -1.294 13.370 -1.712 295 HA2 GLY 38 2HA GLY 38 -0.102 10.717 -2.060 296 HA3 GLY 38 3HA GLY 38 -1.654 11.063 -1.312 297 H ARG 39 H ARG 39 -2.082 12.934 -3.747 298 HA ARG 39 HA ARG 39 -3.281 10.848 -5.404 299 HB2 ARG 39 2HB ARG 39 -3.660 13.848 -5.448 300 HB3 ARG 39 3HB ARG 39 -4.550 12.693 -6.432 301 HG2 ARG 39 2HG ARG 39 -5.447 11.676 -4.371 302 HG3 ARG 39 3HG ARG 39 -4.614 12.915 -3.430 303 HD2 ARG 39 2HD ARG 39 -6.232 14.395 -3.814 304 HD3 ARG 39 3HD ARG 39 -6.169 14.099 -5.551 305 HE ARG 39 HE ARG 39 -8.006 12.753 -5.350 306 HH11 ARG 39 1HH1 ARG 39 -6.609 13.244 -2.199 307 HH12 ARG 39 2HH1 ARG 39 -7.909 12.468 -1.358 308 HH21 ARG 39 1HH2 ARG 39 -9.724 11.729 -4.253 309 HH22 ARG 39 2HH2 ARG 39 -9.680 11.606 -2.527 310 H SER 40 H SER 40 -0.358 11.878 -5.342 311 HA SER 40 HA SER 40 1.342 12.080 -6.840 312 HB2 SER 40 2HB SER 40 -0.488 10.370 -8.050 313 HB3 SER 40 3HB SER 40 -0.147 11.573 -9.293 314 HG SER 40 HG SER 40 2.064 11.118 -9.038 315 H SER 41 H SER 41 2.161 13.434 -8.591 316 HA SER 41 HA SER 41 0.934 16.026 -8.536 317 HB2 SER 41 2HB SER 41 3.057 15.784 -10.490 318 HB3 SER 41 3HB SER 41 3.013 16.730 -9.003 319 HG SER 41 HG SER 41 4.107 14.240 -9.491 320 H GLU 42 H GLU 42 0.811 13.310 -10.620 321 HA GLU 42 HA GLU 42 0.308 14.499 -13.095 322 HB2 GLU 42 2HB GLU 42 -0.766 12.399 -13.713 323 HB3 GLU 42 3HB GLU 42 0.709 12.094 -12.807 324 HG2 GLU 42 2HG GLU 42 -0.463 10.770 -11.483 325 HG3 GLU 42 3HG GLU 42 -1.306 12.200 -10.889 326 H THR 43 H THR 43 -1.640 14.307 -10.263 327 HA THR 43 HA THR 43 -4.171 14.694 -11.541 328 HB THR 43 HB THR 43 -3.352 15.148 -8.665 329 HG1 THR 43 HG1 THR 43 -4.920 13.013 -9.661 330 HG21 THR 43 3HG2 THR 43 -5.316 16.230 -8.532 331 HG22 THR 43 1HG2 THR 43 -6.042 14.629 -8.675 332 HG23 THR 43 2HG2 THR 43 -5.852 15.643 -10.106 333 H GLY 44 H GLY 44 -1.978 16.836 -9.719 334 HA2 GLY 44 2HA GLY 44 -2.932 19.090 -11.310 335 HA3 GLY 44 3HA GLY 44 -3.188 19.188 -9.574 336 H THR 45 H THR 45 -1.529 19.764 -8.261 337 HA THR 45 HA THR 45 1.175 19.892 -9.370 338 HB THR 45 HB THR 45 1.315 22.240 -8.224 339 HG1 THR 45 HG1 THR 45 -1.374 22.403 -9.067 340 HG21 THR 45 3HG2 THR 45 1.204 21.427 -10.795 341 HG22 THR 45 1HG2 THR 45 1.366 23.115 -10.312 342 HG23 THR 45 2HG2 THR 45 -0.219 22.468 -10.736 343 H SER 46 H SER 46 0.805 18.003 -7.690 344 HA SER 46 HA SER 46 0.773 18.633 -4.936 345 HB2 SER 46 2HB SER 46 0.303 16.417 -5.137 346 HB3 SER 46 3HB SER 46 1.295 16.234 -6.584 347 HG SER 46 HG SER 46 2.341 16.524 -3.963 348 H THR 47 H THR 47 2.249 19.966 -4.092 349 HA THR 47 HA THR 47 5.089 19.418 -4.666 350 HB THR 47 HB THR 47 5.620 21.723 -4.426 351 HG1 THR 47 HG1 THR 47 3.823 23.227 -3.943 352 HG21 THR 47 3HG2 THR 47 4.778 22.462 -6.395 353 HG22 THR 47 1HG2 THR 47 3.109 22.146 -5.923 354 HG23 THR 47 2HG2 THR 47 4.132 20.824 -6.488 355 H VAL 48 H VAL 48 6.288 18.818 -2.985 356 HA VAL 48 HA VAL 48 5.147 19.031 -0.298 357 HB VAL 48 HB VAL 48 7.542 17.446 -1.236 358 HG11 VAL 48 1HG1 VAL 48 7.202 16.256 0.946 359 HG12 VAL 48 2HG1 VAL 48 7.772 17.921 1.087 360 HG13 VAL 48 3HG1 VAL 48 6.077 17.538 1.393 361 HG21 VAL 48 3HG2 VAL 48 5.541 16.582 -2.260 362 HG22 VAL 48 1HG2 VAL 48 6.037 15.491 -0.967 363 HG23 VAL 48 2HG2 VAL 48 4.693 16.604 -0.713 364 H THR 49 H THR 49 5.695 20.788 0.807 365 HA THR 49 HA THR 49 8.123 22.240 0.253 366 HB THR 49 HB THR 49 6.157 22.732 2.494 367 HG1 THR 49 HG1 THR 49 6.078 23.356 -0.249 368 HG21 THR 49 3HG2 THR 49 8.379 23.861 2.626 369 HG22 THR 49 1HG2 THR 49 7.020 24.977 2.490 370 HG23 THR 49 2HG2 THR 49 8.026 24.636 1.082 371 H VAL 50 H VAL 50 10.021 21.960 1.218 372 HA VAL 50 HA VAL 50 10.088 20.502 3.780 373 HB VAL 50 HB VAL 50 12.123 19.474 3.187 374 HG11 VAL 50 1HG1 VAL 50 11.513 18.113 1.405 375 HG12 VAL 50 2HG1 VAL 50 9.965 18.740 1.975 376 HG13 VAL 50 3HG1 VAL 50 10.722 19.431 0.540 377 HG21 VAL 50 3HG2 VAL 50 13.505 21.042 2.244 378 HG22 VAL 50 1HG2 VAL 50 13.089 20.091 0.818 379 HG23 VAL 50 2HG2 VAL 50 12.268 21.622 1.127 380 H LEU 51 H LEU 51 11.515 21.197 5.374 381 HA LEU 51 HA LEU 51 12.947 23.710 4.880 382 HB2 LEU 51 2HB LEU 51 10.578 23.761 6.123 383 HB3 LEU 51 3HB LEU 51 11.612 23.407 7.505 384 HG LEU 51 HG LEU 51 12.461 25.664 5.801 385 HD11 LEU 51 1HD1 LEU 51 9.931 25.805 5.953 386 HD12 LEU 51 2HD1 LEU 51 10.840 27.196 6.543 387 HD13 LEU 51 3HD1 LEU 51 10.153 26.042 7.687 388 HD21 LEU 51 3HD2 LEU 51 13.354 26.461 7.751 389 HD22 LEU 51 1HD2 LEU 51 13.368 24.730 8.088 390 HD23 LEU 51 2HD2 LEU 51 12.090 25.747 8.753 391 H THR 52 H THR 52 15.010 23.331 5.304 392 HA THR 52 HA THR 52 15.902 21.151 6.902 393 HB THR 52 HB THR 52 18.107 21.813 6.389 394 HG1 THR 52 HG1 THR 52 18.515 23.869 6.688 395 HG21 THR 52 3HG2 THR 52 16.773 22.985 3.993 396 HG22 THR 52 1HG2 THR 52 16.419 21.313 4.425 397 HG23 THR 52 2HG2 THR 52 18.080 21.804 4.090 398 H TYR 53 H TYR 53 17.971 22.017 8.404 399 HA TYR 53 HA TYR 53 16.606 23.478 10.551 400 HB2 TYR 53 2HB TYR 53 18.434 21.221 10.467 401 HB3 TYR 53 3HB TYR 53 18.995 22.469 11.574 402 HD1 TYR 53 HD2 TYR 53 15.812 20.707 10.700 403 HD2 TYR 53 HD1 TYR 53 18.283 22.328 13.761 404 HE1 TYR 53 HE2 TYR 53 14.225 19.903 12.399 405 HE2 TYR 53 HE1 TYR 53 16.704 21.528 15.468 406 HH TYR 53 HH TYR 53 14.961 20.004 15.794 407 HA PRO 54 HA PRO 54 19.193 27.006 10.159 408 HB2 PRO 54 2HB PRO 54 19.291 27.840 12.741 409 HB3 PRO 54 3HB PRO 54 17.848 28.003 11.732 410 HG2 PRO 54 2HG PRO 54 18.494 25.929 13.791 411 HG3 PRO 54 3HG PRO 54 16.967 26.783 13.504 412 HD2 PRO 54 2HD PRO 54 17.412 24.261 12.626 413 HD3 PRO 54 3HD PRO 54 16.383 25.410 11.748 414 H GLY 55 H GLY 55 21.331 27.221 9.935 415 HA2 GLY 55 2HA GLY 55 23.107 25.417 11.351 416 HA3 GLY 55 3HA GLY 55 23.550 26.518 10.055 417 H THR 56 H THR 56 25.264 27.539 10.954 418 HA THR 56 HA THR 56 24.943 28.732 13.614 419 HB THR 56 HB THR 56 26.983 27.366 13.150 420 HG1 THR 56 HG1 THR 56 28.031 28.649 14.489 421 HG21 THR 56 3HG2 THR 56 27.319 27.999 10.811 422 HG22 THR 56 1HG2 THR 56 28.758 28.346 11.770 423 HG23 THR 56 2HG2 THR 56 27.672 29.655 11.303 424 H GLN 57 H GLN 57 25.398 29.542 10.244 425 HA GLN 57 HA GLN 57 25.133 32.389 10.951 426 HB2 GLN 57 2HB GLN 57 27.101 31.036 9.244 427 HB3 GLN 57 3HB GLN 57 26.342 32.432 8.491 428 HG2 GLN 57 2HG GLN 57 27.671 32.475 11.189 429 HG3 GLN 57 3HG GLN 57 28.456 32.938 9.681 430 HE21 GLN 57 1HE2 GLN 57 27.240 34.226 12.313 431 HE22 GLN 57 2HE2 GLN 57 26.561 35.690 11.698 432 H ASN 58 H ASN 58 24.355 29.803 8.710 433 HA ASN 58 HA ASN 58 22.507 31.545 7.258 434 HB2 ASN 58 2HB ASN 58 24.177 29.550 6.384 435 HB3 ASN 58 3HB ASN 58 22.628 28.717 6.472 436 HD21 ASN 58 1HD2 ASN 58 24.398 29.726 4.232 437 HD22 ASN 58 2HD2 ASN 58 23.315 30.599 3.207 438 H LYS 59 H LYS 59 20.305 31.190 7.161 439 HA LYS 59 HA LYS 59 19.228 29.525 9.321 440 HB2 LYS 59 2HB LYS 59 18.715 32.108 8.797 441 HB3 LYS 59 3HB LYS 59 17.469 31.371 7.799 442 HG2 LYS 59 2HG LYS 59 16.408 31.751 9.828 443 HG3 LYS 59 3HG LYS 59 16.844 30.042 9.899 444 HD2 LYS 59 2HD LYS 59 18.927 30.746 11.134 445 HD3 LYS 59 3HD LYS 59 18.222 32.361 11.242 446 HE2 LYS 59 2HE LYS 59 16.345 31.511 12.485 447 HE3 LYS 59 3HE LYS 59 16.891 29.851 12.254 448 HZ1 LYS 59 3HZ LYS 59 17.537 30.474 14.414 449 HZ2 LYS 59 1HZ LYS 59 18.153 31.964 13.902 450 HZ3 LYS 59 2HZ LYS 59 18.953 30.532 13.490 451 H ALA 60 H ALA 60 17.285 28.278 8.941 452 HA ALA 60 HA ALA 60 17.462 26.654 6.641 453 HB1 ALA 60 1HB ALA 60 15.393 25.610 7.462 454 HB2 ALA 60 2HB ALA 60 16.598 25.795 8.737 455 HB3 ALA 60 3HB ALA 60 15.228 26.902 8.652 456 H THR 61 H THR 61 16.326 26.607 4.760 457 HA THR 61 HA THR 61 14.599 28.928 4.223 458 HB THR 61 HB THR 61 15.603 27.291 1.963 459 HG1 THR 61 HG1 THR 61 17.648 27.684 2.334 460 HG21 THR 61 3HG2 THR 61 15.008 30.162 2.549 461 HG22 THR 61 1HG2 THR 61 14.405 29.136 1.247 462 HG23 THR 61 2HG2 THR 61 16.059 29.747 1.195 463 H TYR 62 H TYR 62 12.761 28.607 2.794 464 HA TYR 62 HA TYR 62 11.634 25.893 3.023 465 HB2 TYR 62 2HB TYR 62 9.413 26.944 3.171 466 HB3 TYR 62 3HB TYR 62 10.466 27.470 4.480 467 HD1 TYR 62 HD2 TYR 62 11.531 29.747 4.343 468 HD2 TYR 62 HD1 TYR 62 8.466 28.501 1.668 469 HE1 TYR 62 HE2 TYR 62 11.102 32.095 3.751 470 HE2 TYR 62 HE1 TYR 62 8.029 30.846 1.068 471 HH TYR 62 HH TYR 62 10.126 33.357 1.820 472 H LYS 63 H LYS 63 11.268 24.909 1.159 473 HA LYS 63 HA LYS 63 10.502 26.492 -1.184 474 HB2 LYS 63 2HB LYS 63 12.962 26.072 -1.266 475 HB3 LYS 63 3HB LYS 63 12.629 24.345 -1.263 476 HG2 LYS 63 2HG LYS 63 12.128 24.321 -3.438 477 HG3 LYS 63 3HG LYS 63 11.185 25.810 -3.334 478 HD2 LYS 63 2HD LYS 63 12.904 27.075 -4.020 479 HD3 LYS 63 3HD LYS 63 14.059 26.218 -2.996 480 HE2 LYS 63 2HE LYS 63 14.555 24.673 -4.620 481 HE3 LYS 63 3HE LYS 63 12.988 24.839 -5.409 482 HZ1 LYS 63 3HZ LYS 63 14.003 26.137 -6.873 483 HZ2 LYS 63 1HZ LYS 63 15.428 26.188 -5.962 484 HZ3 LYS 63 2HZ LYS 63 14.189 27.297 -5.655 485 H ASN 64 H ASN 64 9.127 25.465 -2.600 486 HA ASN 64 HA ASN 64 7.996 22.943 -1.627 487 HB2 ASN 64 2HB ASN 64 6.057 23.506 -3.063 488 HB3 ASN 64 3HB ASN 64 6.405 24.766 -1.882 489 HD21 ASN 64 1HD2 ASN 64 5.950 24.038 -5.139 490 HD22 ASN 64 2HD2 ASN 64 6.398 25.570 -5.801 491 H VAL 65 H VAL 65 8.502 21.114 -2.617 492 HA VAL 65 HA VAL 65 8.830 21.049 -5.507 493 HB VAL 65 HB VAL 65 10.955 19.830 -5.411 494 HG11 VAL 65 1HG1 VAL 65 10.982 22.242 -5.781 495 HG12 VAL 65 2HG1 VAL 65 11.069 22.515 -4.039 496 HG13 VAL 65 3HG1 VAL 65 12.405 21.724 -4.877 497 HG21 VAL 65 3HG2 VAL 65 11.468 18.842 -3.473 498 HG22 VAL 65 1HG2 VAL 65 12.047 20.424 -2.950 499 HG23 VAL 65 2HG2 VAL 65 10.407 19.910 -2.554 500 H ASP 66 H ASP 66 8.642 18.950 -6.406 501 HA ASP 66 HA ASP 66 6.785 17.277 -5.182 502 HB2 ASP 66 2HB ASP 66 8.763 16.544 -7.352 503 HB3 ASP 66 3HB ASP 66 7.277 15.678 -6.970 504 H SER 67 H SER 67 10.286 17.223 -5.114 505 HA SER 67 HA SER 67 10.450 15.754 -2.745 506 HB2 SER 67 2HB SER 67 10.092 14.125 -5.102 507 HB3 SER 67 3HB SER 67 11.664 13.804 -4.370 508 HG SER 67 HG SER 67 10.674 12.786 -2.834 509 H HIS 68 H HIS 68 12.036 16.364 -5.850 510 HA HIS 68 HA HIS 68 14.107 17.146 -6.376 511 HB2 HIS 68 2HB HIS 68 13.512 18.295 -3.772 512 HB3 HIS 68 3HB HIS 68 15.242 18.060 -4.002 513 HD1 HIS 68 HD1 HIS 68 15.675 20.592 -4.184 514 HD2 HIS 68 HD2 HIS 68 13.065 19.116 -7.060 515 HE1 HIS 68 HE1 HIS 68 15.439 22.430 -5.884 516 H SER 69 H SER 69 13.586 14.437 -4.988 517 HA SER 69 HA SER 69 15.841 13.659 -3.543 518 HB2 SER 69 2HB SER 69 14.136 12.090 -3.468 519 HB3 SER 69 3HB SER 69 13.818 12.198 -5.199 520 HG SER 69 HG SER 69 15.054 10.288 -4.184 521 H SER 70 H SER 70 15.439 14.264 -6.915 522 HA SER 70 HA SER 70 17.667 12.736 -7.833 523 HB2 SER 70 2HB SER 70 15.576 13.926 -9.085 524 HB3 SER 70 3HB SER 70 16.849 15.103 -9.409 525 HG SER 70 HG SER 70 16.558 13.255 -10.932 526 H ALA 71 H ALA 71 17.454 15.538 -6.025 527 HA ALA 71 HA ALA 71 20.132 16.417 -6.889 528 HB1 ALA 71 1HB ALA 71 19.493 18.622 -5.842 529 HB2 ALA 71 2HB ALA 71 18.624 18.190 -7.315 530 HB3 ALA 71 3HB ALA 71 17.846 18.001 -5.743 531 H ILE 72 H ILE 72 18.156 15.341 -4.264 532 HA ILE 72 HA ILE 72 20.385 15.774 -2.388 533 HB ILE 72 HB ILE 72 18.787 15.622 -0.571 534 HG12 ILE 72 2HG1 ILE 72 16.705 15.268 -2.738 535 HG13 ILE 72 3HG1 ILE 72 17.221 14.035 -1.593 536 HG21 ILE 72 1HG2 ILE 72 18.966 17.699 -2.412 537 HG22 ILE 72 2HG2 ILE 72 17.241 17.527 -2.092 538 HG23 ILE 72 3HG2 ILE 72 18.362 17.798 -0.758 539 HD11 ILE 72 3HD1 ILE 72 15.234 14.800 -0.699 540 HD12 ILE 72 1HD1 ILE 72 16.447 15.703 0.207 541 HD13 ILE 72 2HD1 ILE 72 15.575 16.479 -1.115 542 H THR 73 H THR 73 21.249 14.077 -1.295 543 HA THR 73 HA THR 73 20.493 11.415 -2.219 544 HB THR 73 HB THR 73 22.612 10.934 -0.624 545 HG1 THR 73 HG1 THR 73 23.973 12.649 -0.568 546 HG21 THR 73 3HG2 THR 73 23.817 11.792 -2.982 547 HG22 THR 73 1HG2 THR 73 22.171 11.373 -3.453 548 HG23 THR 73 2HG2 THR 73 23.187 10.179 -2.646 549 H PHE 74 H PHE 74 20.829 9.648 -0.449 550 HA PHE 74 HA PHE 74 19.367 10.493 1.966 551 HB2 PHE 74 2HB PHE 74 18.207 8.976 0.167 552 HB3 PHE 74 3HB PHE 74 19.173 7.700 0.901 553 HD1 PHE 74 HD2 PHE 74 18.998 7.486 3.484 554 HD2 PHE 74 HD1 PHE 74 16.143 9.496 1.050 555 HE1 PHE 74 HE2 PHE 74 17.312 7.229 5.257 556 HE2 PHE 74 HE1 PHE 74 14.452 9.243 2.820 557 HZ PHE 74 HZ PHE 74 15.035 8.108 4.926 558 H PHE 75 H PHE 75 21.525 10.814 2.880 559 HA PHE 75 HA PHE 75 23.175 10.187 4.315 560 HB2 PHE 75 2HB PHE 75 21.237 8.706 5.171 561 HB3 PHE 75 3HB PHE 75 22.065 7.391 4.344 562 HD1 PHE 75 HD1 PHE 75 22.617 10.063 6.869 563 HD2 PHE 75 HD2 PHE 75 23.752 6.225 5.418 564 HE1 PHE 75 HE1 PHE 75 24.077 9.758 8.825 565 HE2 PHE 75 HE2 PHE 75 25.213 5.915 7.373 566 HZ PHE 75 HZ PHE 75 25.377 7.682 9.080 567 H GLU 76 H GLU 76 25.239 9.793 3.841 568 HA GLU 76 HA GLU 76 26.257 7.482 2.656 569 HB2 GLU 76 2HB GLU 76 25.165 9.382 0.773 570 HB3 GLU 76 3HB GLU 76 26.894 9.187 0.520 571 HG2 GLU 76 2HG GLU 76 25.424 6.680 0.891 572 HG3 GLU 76 3HG GLU 76 24.979 7.595 -0.548 573 HA PRO 77 HA PRO 77 29.697 10.865 2.607 574 HB2 PRO 77 2HB PRO 77 28.943 13.432 3.064 575 HB3 PRO 77 3HB PRO 77 28.994 12.720 1.448 576 HG2 PRO 77 2HG PRO 77 26.651 13.129 3.265 577 HG3 PRO 77 3HG PRO 77 26.774 13.408 1.518 578 HD2 PRO 77 2HD PRO 77 25.612 11.196 2.562 579 HD3 PRO 77 3HD PRO 77 26.482 11.178 1.014 580 H SER 78 H SER 78 30.926 11.789 4.326 581 HA SER 78 HA SER 78 29.783 11.224 6.949 582 HB2 SER 78 2HB SER 78 31.844 10.250 7.001 583 HB3 SER 78 3HB SER 78 32.516 11.363 5.810 584 HG SER 78 HG SER 78 32.823 11.426 8.426 585 H SER 79 H SER 79 30.691 13.892 4.968 586 HA SER 79 HA SER 79 30.404 16.138 5.241 587 HB2 SER 79 2HB SER 79 29.335 15.656 8.016 588 HB3 SER 79 3HB SER 79 28.952 16.970 6.903 589 HG SER 79 HG SER 79 28.390 14.450 5.946 590 H GLU 80 H GLU 80 31.077 15.061 8.572 591 HA GLU 80 HA GLU 80 32.895 17.096 9.159 592 HB2 GLU 80 2HB GLU 80 31.766 14.966 10.532 593 HB3 GLU 80 3HB GLU 80 33.486 14.600 10.543 594 HG2 GLU 80 2HG GLU 80 33.185 17.344 11.169 595 HG3 GLU 80 3HG GLU 80 32.045 16.432 12.158 596 H LYS 81 H LYS 81 33.300 14.143 7.407 597 HA LYS 81 HA LYS 81 36.177 14.108 7.613 598 HB2 LYS 81 2HB LYS 81 34.132 12.489 6.136 599 HB3 LYS 81 3HB LYS 81 35.827 12.378 5.679 600 HG2 LYS 81 2HG LYS 81 34.978 12.003 8.524 601 HG3 LYS 81 3HG LYS 81 34.880 10.680 7.359 602 HD2 LYS 81 2HD LYS 81 37.048 10.275 7.633 603 HD3 LYS 81 3HD LYS 81 37.428 11.911 7.088 604 HE2 LYS 81 2HE LYS 81 37.690 12.699 9.203 605 HE3 LYS 81 3HE LYS 81 36.471 11.616 9.873 606 HZ1 LYS 81 3HZ LYS 81 38.651 11.019 10.670 607 HZ2 LYS 81 1HZ LYS 81 39.235 10.867 9.089 608 HZ3 LYS 81 2HZ LYS 81 38.065 9.790 9.665 609 H ALA 82 H ALA 82 33.884 15.749 5.730 610 HA ALA 82 HA ALA 82 35.866 16.300 3.624 611 HB1 ALA 82 1HB ALA 82 33.215 15.575 3.391 612 HB2 ALA 82 2HB ALA 82 33.191 17.318 3.126 613 HB3 ALA 82 3HB ALA 82 34.215 16.288 2.126 614 H VAL 83 H VAL 83 34.279 17.633 6.324 615 HA VAL 83 HA VAL 83 34.110 20.341 5.654 616 HB VAL 83 HB VAL 83 33.170 19.282 7.724 617 HG11 VAL 83 1HG1 VAL 83 35.699 18.394 8.160 618 HG12 VAL 83 2HG1 VAL 83 35.629 19.784 9.245 619 HG13 VAL 83 3HG1 VAL 83 34.444 18.487 9.395 620 HG21 VAL 83 3HG2 VAL 83 32.892 21.371 8.431 621 HG22 VAL 83 1HG2 VAL 83 34.570 21.458 8.967 622 HG23 VAL 83 2HG2 VAL 83 34.152 21.877 7.306 623 H THR 84 H THR 84 35.521 22.034 5.728 624 HA THR 84 HA THR 84 38.336 21.403 6.332 625 HB THR 84 HB THR 84 37.496 23.363 4.200 626 HG1 THR 84 HG1 THR 84 36.799 21.418 3.410 627 HG21 THR 84 3HG2 THR 84 40.066 21.923 4.090 628 HG22 THR 84 1HG2 THR 84 39.889 23.062 5.424 629 HG23 THR 84 2HG2 THR 84 39.700 23.616 3.760 630 H ALA 85 H ALA 85 35.895 23.962 6.078 631 HA ALA 85 HA ALA 85 36.548 25.163 8.516 632 HB1 ALA 85 1HB ALA 85 37.939 26.313 6.124 633 HB2 ALA 85 2HB ALA 85 37.524 27.320 7.512 634 HB3 ALA 85 3HB ALA 85 38.595 25.934 7.716 635 H ASN 86 H ASN 86 34.227 24.449 7.081 636 HA ASN 86 HA ASN 86 33.023 26.992 6.281 637 HB2 ASN 86 2HB ASN 86 32.292 24.112 5.897 638 HB3 ASN 86 3HB ASN 86 31.037 25.343 5.789 639 HD21 ASN 86 1HD2 ASN 86 31.099 26.844 4.118 640 HD22 ASN 86 2HD2 ASN 86 32.068 26.604 2.707 641 H GLU 87 H GLU 87 32.335 28.145 7.977 642 HA GLU 87 HA GLU 87 31.661 27.252 10.495 643 HB2 GLU 87 2HB GLU 87 30.337 29.382 10.692 644 HB3 GLU 87 3HB GLU 87 31.995 29.586 10.142 645 HG2 GLU 87 2HG GLU 87 31.119 29.665 7.803 646 HG3 GLU 87 3HG GLU 87 29.492 29.688 8.480 647 H ASP 88 H ASP 88 29.498 27.792 7.731 648 HA ASP 88 HA ASP 88 27.119 27.060 9.061 649 HB2 ASP 88 2HB ASP 88 26.283 26.668 6.669 650 HB3 ASP 88 3HB ASP 88 26.849 28.288 7.068 651 H LEU 89 H LEU 89 29.473 25.214 7.189 652 HA LEU 89 HA LEU 89 28.043 22.803 7.037 653 HB2 LEU 89 2HB LEU 89 30.116 23.428 5.763 654 HB3 LEU 89 3HB LEU 89 31.035 23.085 7.227 655 HG LEU 89 HG LEU 89 30.392 20.754 7.128 656 HD11 LEU 89 1HD1 LEU 89 28.297 20.527 6.265 657 HD12 LEU 89 2HD1 LEU 89 29.240 20.131 4.829 658 HD13 LEU 89 3HD1 LEU 89 28.556 21.746 5.017 659 HD21 LEU 89 3HD2 LEU 89 32.163 21.983 5.475 660 HD22 LEU 89 1HD2 LEU 89 31.162 21.105 4.319 661 HD23 LEU 89 2HD2 LEU 89 31.973 20.235 5.621 662 H LEU 90 H LEU 90 30.034 24.189 9.563 663 HA LEU 90 HA LEU 90 30.440 21.908 11.131 664 HB2 LEU 90 2HB LEU 90 31.666 23.906 11.581 665 HB3 LEU 90 3HB LEU 90 30.184 24.813 11.875 666 HG LEU 90 HG LEU 90 29.819 23.657 13.948 667 HD11 LEU 90 1HD1 LEU 90 31.839 21.816 12.852 668 HD12 LEU 90 2HD1 LEU 90 30.459 21.499 13.904 669 HD13 LEU 90 3HD1 LEU 90 31.955 22.144 14.581 670 HD21 LEU 90 3HD2 LEU 90 31.366 24.795 15.147 671 HD22 LEU 90 1HD2 LEU 90 31.726 25.495 13.568 672 HD23 LEU 90 2HD2 LEU 90 32.719 24.180 14.197 673 H GLN 91 H GLN 91 27.878 24.373 11.344 674 HA GLN 91 HA GLN 91 26.456 23.068 13.418 675 HB2 GLN 91 2HB GLN 91 26.337 25.538 12.419 676 HB3 GLN 91 3HB GLN 91 25.009 24.832 11.509 677 HG2 GLN 91 2HG GLN 91 23.706 25.243 13.247 678 HG3 GLN 91 3HG GLN 91 24.593 23.998 14.126 679 HE21 GLN 91 1HE2 GLN 91 26.959 25.086 14.657 680 HE22 GLN 91 2HE2 GLN 91 26.796 26.512 15.618 681 H ALA 92 H ALA 92 26.265 22.958 9.907 682 HA ALA 92 HA ALA 92 23.846 21.549 9.675 683 HB1 ALA 92 1HB ALA 92 24.303 22.087 7.568 684 HB2 ALA 92 2HB ALA 92 26.010 22.340 7.936 685 HB3 ALA 92 3HB ALA 92 25.424 20.725 7.537 686 H ILE 93 H ILE 93 27.171 20.449 10.110 687 HA ILE 93 HA ILE 93 26.736 17.708 9.690 688 HB ILE 93 HB ILE 93 28.786 19.121 11.393 689 HG12 ILE 93 2HG1 ILE 93 29.419 17.662 8.874 690 HG13 ILE 93 3HG1 ILE 93 28.590 19.208 8.734 691 HG21 ILE 93 1HG2 ILE 93 29.995 16.842 11.062 692 HG22 ILE 93 2HG2 ILE 93 28.803 17.021 12.348 693 HG23 ILE 93 3HG2 ILE 93 28.361 16.217 10.842 694 HD11 ILE 93 3HD1 ILE 93 30.992 19.472 8.538 695 HD12 ILE 93 1HD1 ILE 93 30.386 20.284 9.981 696 HD13 ILE 93 2HD1 ILE 93 31.215 18.734 10.125 697 H ARG 94 H ARG 94 26.419 19.717 12.571 698 HA ARG 94 HA ARG 94 25.998 17.588 14.396 699 HB2 ARG 94 2HB ARG 94 25.371 20.532 14.480 700 HB3 ARG 94 3HB ARG 94 24.938 19.454 15.800 701 HG2 ARG 94 2HG ARG 94 27.470 18.781 15.658 702 HG3 ARG 94 3HG ARG 94 27.619 20.365 14.893 703 HD2 ARG 94 2HD ARG 94 26.260 21.213 16.918 704 HD3 ARG 94 3HD ARG 94 26.712 19.682 17.667 705 HE ARG 94 HE ARG 94 28.390 21.957 17.260 706 HH11 ARG 94 1HH1 ARG 94 28.363 18.484 17.496 707 HH12 ARG 94 2HH1 ARG 94 30.011 18.376 18.018 708 HH21 ARG 94 1HH2 ARG 94 30.561 21.829 17.947 709 HH22 ARG 94 2HH2 ARG 94 31.260 20.279 18.276 710 H ASN 95 H ASN 95 23.759 19.757 12.685 711 HA ASN 95 HA ASN 95 21.379 18.739 13.736 712 HB2 ASN 95 2HB ASN 95 21.923 19.979 11.030 713 HB3 ASN 95 3HB ASN 95 20.314 19.686 11.684 714 HD21 ASN 95 1HD2 ASN 95 20.480 20.443 14.237 715 HD22 ASN 95 2HD2 ASN 95 20.886 22.118 14.363 716 H ALA 96 H ALA 96 22.786 18.020 10.533 717 HA ALA 96 HA ALA 96 21.107 16.021 9.724 718 HB1 ALA 96 1HB ALA 96 23.430 17.077 8.773 719 HB2 ALA 96 2HB ALA 96 23.917 15.425 9.156 720 HB3 ALA 96 3HB ALA 96 22.570 15.714 8.055 721 H GLU 97 H GLU 97 23.683 15.825 12.091 722 HA GLU 97 HA GLU 97 23.729 12.982 12.266 723 HB2 GLU 97 2HB GLU 97 25.662 14.166 13.006 724 HB3 GLU 97 3HB GLU 97 24.714 15.162 14.101 725 HG2 GLU 97 2HG GLU 97 24.225 13.184 15.462 726 HG3 GLU 97 3HG GLU 97 25.212 12.207 14.377 727 H GLU 98 H GLU 98 22.155 15.536 14.157 728 HA GLU 98 HA GLU 98 20.958 13.764 16.031 729 HB2 GLU 98 2HB GLU 98 20.170 15.636 17.037 730 HB3 GLU 98 3HB GLU 98 21.338 16.428 15.989 731 HG2 GLU 98 2HG GLU 98 19.521 16.770 14.327 732 HG3 GLU 98 3HG GLU 98 18.384 16.129 15.512 733 H ASP 99 H ASP 99 19.933 15.157 12.970 734 HA ASP 99 HA ASP 99 17.262 14.058 13.199 735 HB2 ASP 99 2HB ASP 99 18.698 15.788 11.238 736 HB3 ASP 99 3HB ASP 99 17.290 14.890 10.678 737 H LYS 100 H LYS 100 17.278 11.873 13.137 738 HA LYS 100 HA LYS 100 18.390 10.628 10.713 739 HB2 LYS 100 2HB LYS 100 18.657 9.765 13.573 740 HB3 LYS 100 3HB LYS 100 18.689 8.568 12.285 741 HG2 LYS 100 2HG LYS 100 20.477 10.355 11.338 742 HG3 LYS 100 3HG LYS 100 20.705 10.551 13.078 743 HD2 LYS 100 2HD LYS 100 20.811 7.935 11.576 744 HD3 LYS 100 3HD LYS 100 22.210 8.852 12.139 745 HE2 LYS 100 2HE LYS 100 20.458 8.516 14.339 746 HE3 LYS 100 3HE LYS 100 20.631 6.948 13.553 747 HZ1 LYS 100 3HZ LYS 100 22.697 6.750 14.305 748 HZ2 LYS 100 1HZ LYS 100 22.390 8.076 15.309 749 HZ3 LYS 100 2HZ LYS 100 23.130 8.307 13.806 750 H GLU 101 H GLU 101 15.751 11.533 10.990 751 HA GLU 101 HA GLU 101 13.618 10.850 10.590 752 HB2 GLU 101 2HB GLU 101 15.264 8.840 9.501 753 HB3 GLU 101 3HB GLU 101 13.988 8.001 10.373 754 HG2 GLU 101 2HG GLU 101 12.407 8.605 8.906 755 HG3 GLU 101 3HG GLU 101 13.072 10.223 8.694 756 H SER 102 H SER 102 14.948 10.647 13.301 757 HA SER 102 HA SER 102 12.690 9.512 14.667 758 HB2 SER 102 2HB SER 102 14.422 7.607 14.110 759 HB3 SER 102 3HB SER 102 15.302 8.292 15.476 760 HG SER 102 HG SER 102 13.968 6.777 16.335 761 H ASN 103 H ASN 103 13.499 12.084 14.652 762 HA ASN 103 HA ASN 103 15.342 12.816 16.653 763 HB2 ASN 103 2HB ASN 103 14.843 14.538 15.166 764 HB3 ASN 103 3HB ASN 103 13.110 14.232 15.237 765 HD21 ASN 103 1HD2 ASN 103 15.823 15.300 17.241 766 HD22 ASN 103 2HD2 ASN 103 14.915 16.441 18.167 767 H ALA 104 H ALA 104 15.032 13.524 18.776 768 HA ALA 104 HA ALA 104 14.217 13.347 20.897 769 HB1 ALA 104 1HB ALA 104 12.545 14.923 19.602 770 HB2 ALA 104 2HB ALA 104 11.422 13.600 19.916 771 HB3 ALA 104 3HB ALA 104 12.228 14.410 21.259 772 H LEU 105 H LEU 105 14.401 10.899 19.246 773 HA LEU 105 HA LEU 105 12.329 9.264 20.549 774 HB2 LEU 105 2HB LEU 105 12.872 9.374 17.925 775 HB3 LEU 105 3HB LEU 105 14.002 8.109 18.402 776 HG LEU 105 HG LEU 105 11.917 7.166 17.571 777 HD11 LEU 105 1HD1 LEU 105 13.250 6.139 19.484 778 HD12 LEU 105 2HD1 LEU 105 11.592 5.581 19.265 779 HD13 LEU 105 3HD1 LEU 105 11.971 6.737 20.541 780 HD21 LEU 105 3HD2 LEU 105 9.942 8.065 18.028 781 HD22 LEU 105 1HD2 LEU 105 10.746 9.283 19.019 782 HD23 LEU 105 2HD2 LEU 105 10.179 7.783 19.754 783 H ARG 106 H ARG 106 15.743 9.782 20.176 784 HA ARG 106 HA ARG 106 16.374 7.361 21.691 785 HB2 ARG 106 2HB ARG 106 17.719 7.847 19.692 786 HB3 ARG 106 3HB ARG 106 18.201 9.388 20.388 787 HG2 ARG 106 2HG ARG 106 19.511 8.359 22.040 788 HG3 ARG 106 3HG ARG 106 18.773 6.781 21.756 789 HD2 ARG 106 2HD ARG 106 19.789 6.745 19.508 790 HD3 ARG 106 3HD ARG 106 20.572 8.285 19.859 791 HE ARG 106 HE ARG 106 22.147 7.156 21.066 792 HH11 ARG 106 1HH1 ARG 106 19.365 5.105 20.652 793 HH12 ARG 106 2HH1 ARG 106 20.125 3.713 21.348 794 HH21 ARG 106 1HH2 ARG 106 23.159 5.330 21.985 795 HH22 ARG 106 2HH2 ARG 106 22.283 3.842 22.107 796 H PHE 107 H PHE 107 16.555 10.872 21.911 797 HA PHE 107 HA PHE 107 17.439 10.612 24.706 798 HB2 PHE 107 2HB PHE 107 18.152 12.449 22.562 799 HB3 PHE 107 3HB PHE 107 17.656 13.297 24.022 800 HD1 PHE 107 HD2 PHE 107 18.891 12.971 26.123 801 HD2 PHE 107 HD1 PHE 107 20.194 11.233 22.463 802 HE1 PHE 107 HE2 PHE 107 21.116 12.586 27.102 803 HE2 PHE 107 HE1 PHE 107 22.420 10.845 23.436 804 HZ PHE 107 HZ PHE 107 22.884 11.523 25.757 805 H GLU 108 H GLU 108 16.695 12.805 25.910 806 HA GLU 108 HA GLU 108 13.846 12.553 26.114 807 HB2 GLU 108 2HB GLU 108 15.950 14.118 27.559 808 HB3 GLU 108 3HB GLU 108 14.258 14.545 27.772 809 HG2 GLU 108 2HG GLU 108 13.807 12.209 28.462 810 HG3 GLU 108 3HG GLU 108 15.537 11.889 28.368 811 HA PRO 109 HA PRO 109 12.613 15.776 23.388 812 HB2 PRO 109 2HB PRO 109 10.227 16.422 24.510 813 HB3 PRO 109 3HB PRO 109 10.485 14.934 23.592 814 HG2 PRO 109 2HG PRO 109 10.462 15.352 26.556 815 HG3 PRO 109 3HG PRO 109 9.735 14.044 25.605 816 HD2 PRO 109 2HD PRO 109 12.086 13.757 26.916 817 HD3 PRO 109 3HD PRO 109 11.734 12.916 25.393 818 H THR 110 H THR 110 11.371 18.043 23.709 819 HA THR 110 HA THR 110 12.945 19.520 25.714 820 HB THR 110 HB THR 110 11.892 21.288 23.739 821 HG1 THR 110 HG1 THR 110 11.814 19.634 22.256 822 HG21 THR 110 3HG2 THR 110 14.426 21.479 23.249 823 HG22 THR 110 1HG2 THR 110 14.612 20.368 24.605 824 HG23 THR 110 2HG2 THR 110 13.838 21.934 24.847 Start of MODEL 19 1 H1 MET 1 H MET 1 5.929 0.415 -9.867 2 HA MET 1 HA MET 1 8.854 0.642 -9.581 3 HB2 MET 1 2HB MET 1 8.390 3.131 -9.355 4 HB3 MET 1 3HB MET 1 8.174 2.440 -10.958 5 HG2 MET 1 2HG MET 1 5.735 2.378 -9.390 6 HG3 MET 1 3HG MET 1 6.373 4.009 -9.589 7 HE1 MET 1 3HE MET 1 4.408 1.082 -11.931 8 HE2 MET 1 1HE MET 1 4.018 1.923 -10.430 9 HE3 MET 1 2HE MET 1 3.401 2.530 -11.967 10 H LEU 2 H LEU 2 9.430 0.129 -7.577 11 HA LEU 2 HA LEU 2 7.933 1.304 -5.346 12 HB2 LEU 2 2HB LEU 2 8.211 -1.519 -5.972 13 HB3 LEU 2 3HB LEU 2 8.807 -1.129 -4.359 14 HG LEU 2 HG LEU 2 6.165 -0.012 -5.000 15 HD11 LEU 2 1HD1 LEU 2 5.954 -2.130 -6.161 16 HD12 LEU 2 2HD1 LEU 2 5.007 -2.149 -4.674 17 HD13 LEU 2 3HD1 LEU 2 6.555 -2.990 -4.744 18 HD21 LEU 2 3HD2 LEU 2 7.337 0.045 -2.781 19 HD22 LEU 2 1HD2 LEU 2 7.095 -1.700 -2.686 20 HD23 LEU 2 2HD2 LEU 2 5.702 -0.619 -2.746 21 H GLN 3 H GLN 3 9.157 1.643 -3.442 22 HA GLN 3 HA GLN 3 12.070 1.550 -3.877 23 HB2 GLN 3 2HB GLN 3 10.299 3.697 -3.038 24 HB3 GLN 3 3HB GLN 3 11.597 3.432 -1.881 25 HG2 GLN 3 2HG GLN 3 12.338 5.075 -3.414 26 HG3 GLN 3 3HG GLN 3 13.212 3.588 -3.776 27 HE21 GLN 3 1HE2 GLN 3 13.646 4.364 -5.867 28 HE22 GLN 3 2HE2 GLN 3 12.435 4.355 -7.099 29 H GLU 4 H GLU 4 9.440 0.938 -1.663 30 HA GLU 4 HA GLU 4 9.307 -0.340 0.217 31 HB2 GLU 4 2HB GLU 4 12.173 -1.156 -0.233 32 HB3 GLU 4 3HB GLU 4 10.911 -2.045 0.609 33 HG2 GLU 4 2HG GLU 4 9.834 -1.777 -1.877 34 HG3 GLU 4 3HG GLU 4 11.553 -1.927 -2.238 35 H ARG 5 H ARG 5 10.907 2.371 -0.056 36 HA ARG 5 HA ARG 5 12.348 2.326 2.475 37 HB2 ARG 5 2HB ARG 5 12.411 3.936 0.071 38 HB3 ARG 5 3HB ARG 5 12.284 4.952 1.501 39 HG2 ARG 5 2HG ARG 5 14.360 2.806 1.129 40 HG3 ARG 5 3HG ARG 5 14.611 4.515 0.768 41 HD2 ARG 5 2HD ARG 5 13.761 4.826 3.234 42 HD3 ARG 5 3HD ARG 5 14.287 3.151 3.398 43 HE ARG 5 HE ARG 5 15.959 5.479 3.106 44 HH11 ARG 5 1HH1 ARG 5 15.746 2.021 2.768 45 HH12 ARG 5 2HH1 ARG 5 17.457 1.773 2.891 46 HH21 ARG 5 1HH2 ARG 5 18.212 5.166 3.270 47 HH22 ARG 5 2HH2 ARG 5 18.858 3.563 3.178 48 H VAL 6 H VAL 6 11.987 4.232 3.967 49 HA VAL 6 HA VAL 6 9.099 4.782 4.206 50 HB VAL 6 HB VAL 6 11.065 4.434 6.474 51 HG11 VAL 6 1HG1 VAL 6 8.230 5.295 6.311 52 HG12 VAL 6 2HG1 VAL 6 8.698 4.258 7.660 53 HG13 VAL 6 3HG1 VAL 6 9.508 5.806 7.414 54 HG21 VAL 6 3HG2 VAL 6 9.351 2.543 5.024 55 HG22 VAL 6 1HG2 VAL 6 10.776 2.252 6.022 56 HG23 VAL 6 2HG2 VAL 6 9.200 2.480 6.780 57 H PHE 7 H PHE 7 8.466 6.840 4.648 58 HA PHE 7 HA PHE 7 10.591 8.873 4.695 59 HB2 PHE 7 2HB PHE 7 7.757 8.937 3.671 60 HB3 PHE 7 3HB PHE 7 8.678 10.411 3.951 61 HD1 PHE 7 HD1 PHE 7 10.706 10.872 2.625 62 HD2 PHE 7 HD2 PHE 7 8.173 7.555 1.788 63 HE1 PHE 7 HE1 PHE 7 11.726 10.660 0.395 64 HE2 PHE 7 HE2 PHE 7 9.190 7.337 -0.442 65 HZ PHE 7 HZ PHE 7 10.969 8.890 -1.141 66 H HIS 8 H HIS 8 10.839 10.110 6.438 67 HA HIS 8 HA HIS 8 8.635 10.239 8.389 68 HB2 HIS 8 2HB HIS 8 10.672 8.778 9.008 69 HB3 HIS 8 3HB HIS 8 11.533 10.303 9.198 70 HD1 HIS 8 HD1 HIS 8 11.655 10.871 11.591 71 HD2 HIS 8 HD2 HIS 8 8.010 9.133 10.613 72 HE1 HIS 8 HE1 HIS 8 10.323 10.859 13.723 73 H ILE 9 H ILE 9 8.871 12.118 9.914 74 HA ILE 9 HA ILE 9 8.909 14.523 8.512 75 HB ILE 9 HB ILE 9 7.730 14.347 10.610 76 HG12 ILE 9 2HG1 ILE 9 9.623 16.288 11.622 77 HG13 ILE 9 3HG1 ILE 9 9.408 16.475 9.885 78 HG21 ILE 9 1HG2 ILE 9 8.805 14.081 12.731 79 HG22 ILE 9 2HG2 ILE 9 9.355 12.784 11.672 80 HG23 ILE 9 3HG2 ILE 9 10.402 14.167 11.988 81 HD11 ILE 9 3HD1 ILE 9 7.045 16.758 10.153 82 HD12 ILE 9 1HD1 ILE 9 7.156 16.394 11.875 83 HD13 ILE 9 2HD1 ILE 9 7.884 17.868 11.237 84 H ASN 10 H ASN 10 11.428 12.983 10.458 85 HA ASN 10 HA ASN 10 13.272 15.122 10.349 86 HB2 ASN 10 2HB ASN 10 13.953 12.191 10.620 87 HB3 ASN 10 3HB ASN 10 14.892 13.566 11.194 88 HD21 ASN 10 1HD2 ASN 10 12.920 15.092 12.355 89 HD22 ASN 10 2HD2 ASN 10 12.285 14.256 13.727 90 H ASP 11 H ASP 11 12.960 12.159 8.411 91 HA ASP 11 HA ASP 11 13.937 11.523 6.444 92 HB2 ASP 11 2HB ASP 11 12.345 13.615 5.970 93 HB3 ASP 11 3HB ASP 11 13.873 14.333 5.465 94 H ARG 12 H ARG 12 16.011 11.000 7.144 95 HA ARG 12 HA ARG 12 18.068 12.994 7.354 96 HB2 ARG 12 2HB ARG 12 19.575 10.998 7.605 97 HB3 ARG 12 3HB ARG 12 18.265 11.087 8.775 98 HG2 ARG 12 2HG ARG 12 17.561 9.076 8.185 99 HG3 ARG 12 3HG ARG 12 17.380 9.600 6.509 100 HD2 ARG 12 2HD ARG 12 19.360 8.703 5.874 101 HD3 ARG 12 3HD ARG 12 20.136 9.057 7.418 102 HE ARG 12 HE ARG 12 18.224 7.035 7.793 103 HH11 ARG 12 1HH1 ARG 12 21.312 7.559 6.274 104 HH12 ARG 12 2HH1 ARG 12 21.817 5.909 6.433 105 HH21 ARG 12 1HH2 ARG 12 18.877 4.860 8.009 106 HH22 ARG 12 2HH2 ARG 12 20.431 4.375 7.420 107 H VAL 13 H VAL 13 18.610 14.005 5.509 108 HA VAL 13 HA VAL 13 19.762 12.392 3.374 109 HB VAL 13 HB VAL 13 18.576 13.848 1.655 110 HG11 VAL 13 1HG1 VAL 13 16.442 12.246 2.869 111 HG12 VAL 13 2HG1 VAL 13 17.190 12.122 1.276 112 HG13 VAL 13 3HG1 VAL 13 17.976 11.398 2.679 113 HG21 VAL 13 3HG2 VAL 13 16.362 14.714 2.355 114 HG22 VAL 13 1HG2 VAL 13 16.789 14.362 4.030 115 HG23 VAL 13 2HG2 VAL 13 17.709 15.559 3.118 116 H TRP 14 H TRP 14 20.930 13.765 1.772 117 HA TRP 14 HA TRP 14 21.970 16.203 3.063 118 HB2 TRP 14 2HB TRP 14 23.345 13.899 1.809 119 HB3 TRP 14 3HB TRP 14 24.008 15.488 1.439 120 HD1 TRP 14 HD1 TRP 14 24.641 12.837 3.729 121 HE1 TRP 14 HE1 TRP 14 25.707 13.657 5.924 122 HE3 TRP 14 HE3 TRP 14 23.579 17.823 3.334 123 HZ2 TRP 14 HZ2 TRP 14 26.052 16.095 7.305 124 HZ3 TRP 14 HZ3 TRP 14 24.311 19.331 5.136 125 HH2 TRP 14 HH2 TRP 14 25.522 18.483 7.079 126 H LEU 15 H LEU 15 21.971 18.040 1.908 127 HA LEU 15 HA LEU 15 21.146 17.865 -0.914 128 HB2 LEU 15 2HB LEU 15 19.547 18.956 0.630 129 HB3 LEU 15 3HB LEU 15 20.777 20.160 1.005 130 HG LEU 15 HG LEU 15 20.033 19.833 -1.847 131 HD11 LEU 15 1HD1 LEU 15 17.869 20.233 -1.595 132 HD12 LEU 15 2HD1 LEU 15 18.253 21.731 -0.748 133 HD13 LEU 15 3HD1 LEU 15 18.050 20.232 0.159 134 HD21 LEU 15 3HD2 LEU 15 20.849 22.048 0.001 135 HD22 LEU 15 1HD2 LEU 15 20.140 22.389 -1.577 136 HD23 LEU 15 2HD2 LEU 15 21.642 21.472 -1.466 137 H LYS 16 H LYS 16 22.424 18.702 -2.445 138 HA LYS 16 HA LYS 16 24.937 19.931 -1.605 139 HB2 LYS 16 2HB LYS 16 25.190 18.099 -3.129 140 HB3 LYS 16 3HB LYS 16 24.005 18.780 -4.235 141 HG2 LYS 16 2HG LYS 16 26.247 19.086 -5.091 142 HG3 LYS 16 3HG LYS 16 25.516 20.646 -4.704 143 HD2 LYS 16 2HD LYS 16 27.776 20.675 -3.919 144 HD3 LYS 16 3HD LYS 16 26.715 20.575 -2.512 145 HE2 LYS 16 2HE LYS 16 28.636 19.067 -2.312 146 HE3 LYS 16 3HE LYS 16 27.112 18.182 -2.359 147 HZ1 LYS 16 3HZ LYS 16 27.526 17.417 -4.487 148 HZ2 LYS 16 1HZ LYS 16 29.063 17.356 -3.781 149 HZ3 LYS 16 2HZ LYS 16 28.662 18.623 -4.827 150 H THR 17 H THR 17 24.942 22.071 -1.430 151 HA THR 17 HA THR 17 23.058 23.821 -2.507 152 HB THR 17 HB THR 17 25.868 24.725 -1.958 153 HG1 THR 17 HG1 THR 17 23.911 24.053 0.007 154 HG21 THR 17 3HG2 THR 17 24.946 26.761 -1.662 155 HG22 THR 17 1HG2 THR 17 23.544 26.113 -0.811 156 HG23 THR 17 2HG2 THR 17 23.595 26.088 -2.574 157 H GLY 18 H GLY 18 26.225 22.828 -3.740 158 HA2 GLY 18 2HA GLY 18 26.404 22.602 -6.180 159 HA3 GLY 18 3HA GLY 18 25.508 24.108 -6.305 160 H ALA 19 H ALA 19 28.225 23.288 -4.180 161 HA ALA 19 HA ALA 19 30.255 24.518 -5.649 162 HB1 ALA 19 1HB ALA 19 29.357 26.634 -5.498 163 HB2 ALA 19 2HB ALA 19 28.684 26.350 -3.892 164 HB3 ALA 19 3HB ALA 19 30.418 26.601 -4.089 165 H ASN 20 H ASN 20 30.240 22.244 -4.228 166 HA ASN 20 HA ASN 20 31.461 21.058 -2.719 167 HB2 ASN 20 2HB ASN 20 32.948 23.528 -3.086 168 HB3 ASN 20 3HB ASN 20 33.169 22.873 -1.467 169 HD21 ASN 20 1HD2 ASN 20 34.287 20.992 -1.187 170 HD22 ASN 20 2HD2 ASN 20 35.141 20.197 -2.461 171 H THR 21 H THR 21 29.116 22.951 -1.986 172 HA THR 21 HA THR 21 29.450 22.682 0.931 173 HB THR 21 HB THR 21 27.533 24.718 -0.034 174 HG1 THR 21 HG1 THR 21 30.357 25.027 -0.259 175 HG21 THR 21 3HG2 THR 21 29.541 24.480 2.195 176 HG22 THR 21 1HG2 THR 21 27.782 24.515 2.308 177 HG23 THR 21 2HG2 THR 21 28.667 25.975 1.866 178 H TRP 22 H TRP 22 28.012 21.399 1.879 179 HA TRP 22 HA TRP 22 25.435 20.938 0.527 180 HB2 TRP 22 2HB TRP 22 25.578 18.601 1.571 181 HB3 TRP 22 3HB TRP 22 26.615 18.927 0.184 182 HD1 TRP 22 HD1 TRP 22 26.736 18.033 3.857 183 HE1 TRP 22 HE1 TRP 22 29.177 17.599 4.546 184 HE3 TRP 22 HE3 TRP 22 29.079 19.694 -0.372 185 HZ2 TRP 22 HZ2 TRP 22 31.756 17.919 3.443 186 HZ3 TRP 22 HZ3 TRP 22 31.536 19.597 -0.475 187 HH2 TRP 22 HH2 TRP 22 32.844 18.728 1.394 188 H TRP 23 H TRP 23 23.627 20.938 1.780 189 HA TRP 23 HA TRP 23 24.007 21.318 4.677 190 HB2 TRP 23 2HB TRP 23 22.894 23.140 2.785 191 HB3 TRP 23 3HB TRP 23 21.598 22.592 3.845 192 HD1 TRP 23 HD1 TRP 23 25.282 23.395 4.765 193 HE1 TRP 23 HE1 TRP 23 25.261 25.161 6.637 194 HE3 TRP 23 HE3 TRP 23 20.242 24.197 5.066 195 HZ2 TRP 23 HZ2 TRP 23 23.359 26.692 8.053 196 HZ3 TRP 23 HZ3 TRP 23 19.404 25.829 6.706 197 HH2 TRP 23 HH2 TRP 23 20.932 27.049 8.168 198 HA PRO 24 HA PRO 24 21.147 18.034 5.263 199 HB2 PRO 24 2HB PRO 24 20.114 18.722 7.677 200 HB3 PRO 24 3HB PRO 24 21.751 18.086 7.480 201 HG2 PRO 24 2HG PRO 24 20.846 20.922 7.795 202 HG3 PRO 24 3HG PRO 24 22.224 20.097 8.547 203 HD2 PRO 24 2HD PRO 24 22.497 21.732 6.406 204 HD3 PRO 24 3HD PRO 24 23.544 20.323 6.672 205 H ALA 25 H ALA 25 19.079 17.569 4.743 206 HA ALA 25 HA ALA 25 17.112 19.761 4.781 207 HB1 ALA 25 1HB ALA 25 16.877 19.675 2.579 208 HB2 ALA 25 2HB ALA 25 18.175 18.484 2.497 209 HB3 ALA 25 3HB ALA 25 16.501 17.954 2.664 210 H LYS 26 H LYS 26 15.167 19.277 5.620 211 HA LYS 26 HA LYS 26 14.533 16.444 6.108 212 HB2 LYS 26 2HB LYS 26 13.670 16.984 8.294 213 HB3 LYS 26 3HB LYS 26 15.324 17.569 8.180 214 HG2 LYS 26 2HG LYS 26 14.513 19.476 8.995 215 HG3 LYS 26 3HG LYS 26 13.889 19.748 7.366 216 HD2 LYS 26 2HD LYS 26 12.089 20.092 8.896 217 HD3 LYS 26 3HD LYS 26 11.796 18.562 8.066 218 HE2 LYS 26 2HE LYS 26 11.873 17.412 9.975 219 HE3 LYS 26 3HE LYS 26 13.365 18.206 10.477 220 HZ1 LYS 26 3HZ LYS 26 11.859 18.856 12.081 221 HZ2 LYS 26 1HZ LYS 26 10.578 19.014 10.988 222 HZ3 LYS 26 2HZ LYS 26 11.813 20.168 11.014 223 H VAL 27 H VAL 27 12.579 15.826 5.438 224 HA VAL 27 HA VAL 27 10.785 17.832 4.333 225 HB VAL 27 HB VAL 27 10.484 14.828 4.284 226 HG11 VAL 27 1HG1 VAL 27 8.854 17.033 3.366 227 HG12 VAL 27 2HG1 VAL 27 9.303 15.960 2.039 228 HG13 VAL 27 3HG1 VAL 27 8.475 15.313 3.456 229 HG21 VAL 27 3HG2 VAL 27 12.166 16.652 2.698 230 HG22 VAL 27 1HG2 VAL 27 12.346 14.927 3.017 231 HG23 VAL 27 2HG2 VAL 27 11.227 15.482 1.772 232 H THR 28 H THR 28 9.146 18.637 5.449 233 HA THR 28 HA THR 28 8.340 17.443 7.956 234 HB THR 28 HB THR 28 8.523 19.847 7.903 235 HG1 THR 28 HG1 THR 28 6.725 20.126 9.030 236 HG21 THR 28 3HG2 THR 28 6.648 19.625 5.568 237 HG22 THR 28 1HG2 THR 28 8.192 20.469 5.670 238 HG23 THR 28 2HG2 THR 28 6.778 21.115 6.502 239 H SER 29 H SER 29 7.500 16.940 4.797 240 HA SER 29 HA SER 29 5.801 15.823 3.777 241 HB2 SER 29 2HB SER 29 6.072 14.522 6.088 242 HB3 SER 29 3HB SER 29 4.457 15.176 6.359 243 HG SER 29 HG SER 29 5.263 13.642 4.109 244 H VAL 30 H VAL 30 5.445 18.444 3.742 245 HA VAL 30 HA VAL 30 2.601 18.835 4.419 246 HB VAL 30 HB VAL 30 4.770 20.933 4.258 247 HG11 VAL 30 1HG1 VAL 30 1.910 21.124 4.014 248 HG12 VAL 30 2HG1 VAL 30 2.469 21.989 5.447 249 HG13 VAL 30 3HG1 VAL 30 3.134 22.384 3.862 250 HG21 VAL 30 3HG2 VAL 30 4.687 21.096 6.582 251 HG22 VAL 30 1HG2 VAL 30 3.148 20.241 6.682 252 HG23 VAL 30 2HG2 VAL 30 4.624 19.357 6.292 253 H THR 31 H THR 31 1.386 18.743 2.657 254 HA THR 31 HA THR 31 2.441 19.106 0.025 255 HB THR 31 HB THR 31 0.651 17.528 0.307 256 HG1 THR 31 HG1 THR 31 -0.523 18.171 -1.421 257 HG21 THR 31 3HG2 THR 31 -0.678 18.090 2.076 258 HG22 THR 31 1HG2 THR 31 -1.697 18.692 0.770 259 HG23 THR 31 2HG2 THR 31 -0.674 19.807 1.677 260 H GLY 32 H GLY 32 1.520 20.626 -1.562 261 HA2 GLY 32 2HA GLY 32 1.023 23.248 -0.297 262 HA3 GLY 32 3HA GLY 32 1.856 23.027 -1.829 263 H VAL 33 H VAL 33 -1.051 21.282 -0.947 264 HA VAL 33 HA VAL 33 -2.662 23.010 -2.679 265 HB VAL 33 HB VAL 33 -2.484 20.012 -3.011 266 HG11 VAL 33 1HG1 VAL 33 -3.921 21.190 -5.117 267 HG12 VAL 33 2HG1 VAL 33 -4.535 20.120 -3.855 268 HG13 VAL 33 3HG1 VAL 33 -4.579 21.869 -3.629 269 HG21 VAL 33 3HG2 VAL 33 -1.904 20.939 -5.427 270 HG22 VAL 33 1HG2 VAL 33 -1.330 22.316 -4.486 271 HG23 VAL 33 2HG2 VAL 33 -0.663 20.709 -4.196 272 H GLU 34 H GLU 34 -3.064 19.846 -1.081 273 HA GLU 34 HA GLU 34 -4.597 20.729 1.073 274 HB2 GLU 34 2HB GLU 34 -6.861 19.897 0.247 275 HB3 GLU 34 3HB GLU 34 -6.319 21.455 -0.362 276 HG2 GLU 34 2HG GLU 34 -6.283 20.746 -2.472 277 HG3 GLU 34 3HG GLU 34 -5.506 19.223 -2.044 278 H GLY 35 H GLY 35 -3.956 18.210 -1.278 279 HA2 GLY 35 2HA GLY 35 -3.162 16.283 0.528 280 HA3 GLY 35 3HA GLY 35 -4.892 16.044 0.328 281 H VAL 36 H VAL 36 -2.615 17.115 -2.147 282 HA VAL 36 HA VAL 36 -3.467 14.893 -3.830 283 HB VAL 36 HB VAL 36 -1.637 17.177 -4.568 284 HG11 VAL 36 1HG1 VAL 36 -2.488 16.601 -6.873 285 HG12 VAL 36 2HG1 VAL 36 -1.419 15.410 -6.130 286 HG13 VAL 36 3HG1 VAL 36 -3.161 15.132 -6.166 287 HG21 VAL 36 3HG2 VAL 36 -3.586 18.283 -5.510 288 HG22 VAL 36 1HG2 VAL 36 -4.623 16.971 -4.948 289 HG23 VAL 36 2HG2 VAL 36 -3.811 18.015 -3.781 290 H ASP 37 H ASP 37 -0.768 15.886 -1.939 291 HA ASP 37 HA ASP 37 1.342 14.587 -3.210 292 HB2 ASP 37 2HB ASP 37 1.650 16.124 -1.319 293 HB3 ASP 37 3HB ASP 37 0.895 14.955 -0.240 294 H GLY 38 H GLY 38 -1.332 13.302 -1.439 295 HA2 GLY 38 2HA GLY 38 -0.052 10.693 -1.124 296 HA3 GLY 38 3HA GLY 38 -1.624 11.162 -0.494 297 H ARG 39 H ARG 39 -1.921 12.308 -3.426 298 HA ARG 39 HA ARG 39 -3.060 9.811 -4.465 299 HB2 ARG 39 2HB ARG 39 -3.620 12.695 -5.179 300 HB3 ARG 39 3HB ARG 39 -4.368 11.311 -5.966 301 HG2 ARG 39 2HG ARG 39 -5.297 10.632 -3.766 302 HG3 ARG 39 3HG ARG 39 -4.651 12.126 -3.083 303 HD2 ARG 39 2HD ARG 39 -6.270 13.387 -3.998 304 HD3 ARG 39 3HD ARG 39 -6.242 12.492 -5.517 305 HE ARG 39 HE ARG 39 -7.420 10.953 -3.442 306 HH11 ARG 39 1HH1 ARG 39 -8.040 13.594 -5.624 307 HH12 ARG 39 2HH1 ARG 39 -9.754 13.341 -5.651 308 HH21 ARG 39 1HH2 ARG 39 -9.675 10.610 -3.469 309 HH22 ARG 39 2HH2 ARG 39 -10.683 11.644 -4.424 310 H SER 40 H SER 40 -1.954 12.732 -6.151 311 HA SER 40 HA SER 40 0.363 11.717 -7.300 312 HB2 SER 40 2HB SER 40 -2.133 10.837 -8.613 313 HB3 SER 40 3HB SER 40 -0.905 11.495 -9.694 314 HG SER 40 HG SER 40 -0.760 9.185 -9.271 315 H SER 41 H SER 41 1.392 13.253 -8.509 316 HA SER 41 HA SER 41 0.516 15.903 -8.349 317 HB2 SER 41 2HB SER 41 2.528 14.862 -10.350 318 HB3 SER 41 3HB SER 41 2.442 16.479 -9.651 319 HG SER 41 HG SER 41 2.819 15.395 -7.581 320 H GLU 42 H GLU 42 -0.225 13.442 -10.617 321 HA GLU 42 HA GLU 42 -0.771 14.926 -12.919 322 HB2 GLU 42 2HB GLU 42 -2.210 13.070 -13.585 323 HB3 GLU 42 3HB GLU 42 -0.713 12.474 -12.881 324 HG2 GLU 42 2HG GLU 42 -1.934 11.202 -11.549 325 HG3 GLU 42 3HG GLU 42 -2.484 12.669 -10.742 326 H THR 43 H THR 43 -2.600 14.501 -9.977 327 HA THR 43 HA THR 43 -5.129 15.310 -10.816 328 HB THR 43 HB THR 43 -3.958 16.050 -8.137 329 HG1 THR 43 HG1 THR 43 -4.872 13.868 -7.594 330 HG21 THR 43 3HG2 THR 43 -6.103 16.927 -8.240 331 HG22 THR 43 1HG2 THR 43 -6.387 15.343 -7.520 332 HG23 THR 43 2HG2 THR 43 -6.708 15.603 -9.235 333 H GLY 44 H GLY 44 -2.859 17.398 -9.017 334 HA2 GLY 44 2HA GLY 44 -3.622 19.622 -10.788 335 HA3 GLY 44 3HA GLY 44 -3.770 19.812 -9.048 336 H THR 45 H THR 45 -1.820 19.690 -7.758 337 HA THR 45 HA THR 45 0.738 19.797 -9.074 338 HB THR 45 HB THR 45 1.131 22.131 -7.886 339 HG1 THR 45 HG1 THR 45 -0.653 23.335 -7.676 340 HG21 THR 45 3HG2 THR 45 0.964 21.309 -10.457 341 HG22 THR 45 1HG2 THR 45 1.296 22.973 -9.978 342 HG23 THR 45 2HG2 THR 45 -0.344 22.491 -10.413 343 H SER 46 H SER 46 0.550 17.946 -7.455 344 HA SER 46 HA SER 46 0.593 18.467 -4.678 345 HB2 SER 46 2HB SER 46 0.230 16.246 -4.854 346 HB3 SER 46 3HB SER 46 1.008 16.158 -6.435 347 HG SER 46 HG SER 46 2.920 15.796 -5.497 348 H THR 47 H THR 47 2.060 19.805 -3.829 349 HA THR 47 HA THR 47 4.894 19.355 -4.511 350 HB THR 47 HB THR 47 5.375 21.660 -4.211 351 HG1 THR 47 HG1 THR 47 2.712 22.332 -3.607 352 HG21 THR 47 3HG2 THR 47 2.795 22.064 -5.594 353 HG22 THR 47 1HG2 THR 47 3.840 20.805 -6.251 354 HG23 THR 47 2HG2 THR 47 4.433 22.460 -6.112 355 H VAL 48 H VAL 48 6.202 18.801 -2.889 356 HA VAL 48 HA VAL 48 5.121 18.811 -0.170 357 HB VAL 48 HB VAL 48 7.581 17.441 -1.268 358 HG11 VAL 48 1HG1 VAL 48 8.146 17.499 0.921 359 HG12 VAL 48 2HG1 VAL 48 6.484 17.756 1.455 360 HG13 VAL 48 3HG1 VAL 48 7.029 16.138 1.013 361 HG21 VAL 48 3HG2 VAL 48 4.750 16.583 -0.890 362 HG22 VAL 48 1HG2 VAL 48 5.865 16.241 -2.213 363 HG23 VAL 48 2HG2 VAL 48 6.042 15.403 -0.671 364 H THR 49 H THR 49 5.569 20.546 1.011 365 HA THR 49 HA THR 49 7.931 22.145 0.488 366 HB THR 49 HB THR 49 5.914 22.582 2.689 367 HG1 THR 49 HG1 THR 49 4.589 23.467 1.250 368 HG21 THR 49 3HG2 THR 49 6.593 24.968 2.314 369 HG22 THR 49 1HG2 THR 49 7.862 24.375 1.242 370 HG23 THR 49 2HG2 THR 49 7.872 23.934 2.950 371 H VAL 50 H VAL 50 9.803 21.924 1.514 372 HA VAL 50 HA VAL 50 9.830 20.495 4.094 373 HB VAL 50 HB VAL 50 11.953 19.567 3.581 374 HG11 VAL 50 1HG1 VAL 50 10.311 19.390 1.058 375 HG12 VAL 50 2HG1 VAL 50 11.494 18.215 1.637 376 HG13 VAL 50 3HG1 VAL 50 9.995 18.475 2.532 377 HG21 VAL 50 3HG2 VAL 50 11.984 21.616 1.420 378 HG22 VAL 50 1HG2 VAL 50 13.248 21.160 2.561 379 HG23 VAL 50 2HG2 VAL 50 12.887 20.119 1.184 380 H LEU 51 H LEU 51 11.247 21.222 5.705 381 HA LEU 51 HA LEU 51 12.564 23.802 5.236 382 HB2 LEU 51 2HB LEU 51 10.295 24.085 6.289 383 HB3 LEU 51 3HB LEU 51 10.920 23.215 7.689 384 HG LEU 51 HG LEU 51 12.681 25.032 7.857 385 HD11 LEU 51 1HD1 LEU 51 12.811 26.515 6.215 386 HD12 LEU 51 2HD1 LEU 51 11.229 27.129 6.694 387 HD13 LEU 51 3HD1 LEU 51 11.351 25.874 5.461 388 HD21 LEU 51 3HD2 LEU 51 10.375 24.782 9.097 389 HD22 LEU 51 1HD2 LEU 51 9.984 26.246 8.194 390 HD23 LEU 51 2HD2 LEU 51 11.362 26.231 9.294 391 H THR 52 H THR 52 14.644 23.424 5.604 392 HA THR 52 HA THR 52 15.595 21.315 7.261 393 HB THR 52 HB THR 52 17.764 21.952 6.655 394 HG1 THR 52 HG1 THR 52 18.329 23.982 6.757 395 HG21 THR 52 3HG2 THR 52 17.690 22.021 4.351 396 HG22 THR 52 1HG2 THR 52 16.362 23.180 4.320 397 HG23 THR 52 2HG2 THR 52 16.050 21.491 4.724 398 H TYR 53 H TYR 53 17.678 22.280 8.695 399 HA TYR 53 HA TYR 53 16.324 23.836 10.790 400 HB2 TYR 53 2HB TYR 53 18.232 21.586 10.814 401 HB3 TYR 53 3HB TYR 53 18.544 22.841 12.009 402 HD1 TYR 53 HD1 TYR 53 15.469 21.179 10.665 403 HD2 TYR 53 HD2 TYR 53 17.735 22.291 14.090 404 HE1 TYR 53 HE1 TYR 53 13.733 20.218 12.118 405 HE2 TYR 53 HE2 TYR 53 16.007 21.332 15.552 406 HH TYR 53 HH TYR 53 12.980 20.081 14.244 407 HA PRO 54 HA PRO 54 19.051 27.242 10.293 408 HB2 PRO 54 2HB PRO 54 19.194 28.152 12.847 409 HB3 PRO 54 3HB PRO 54 17.754 28.341 11.839 410 HG2 PRO 54 2HG PRO 54 18.329 26.308 13.961 411 HG3 PRO 54 3HG PRO 54 16.835 27.212 13.653 412 HD2 PRO 54 2HD PRO 54 17.177 24.648 12.854 413 HD3 PRO 54 3HD PRO 54 16.188 25.808 11.943 414 H GLY 55 H GLY 55 21.194 27.380 10.063 415 HA2 GLY 55 2HA GLY 55 22.902 25.567 11.567 416 HA3 GLY 55 3HA GLY 55 23.378 26.546 10.187 417 H THR 56 H THR 56 25.118 27.611 10.944 418 HA THR 56 HA THR 56 24.936 28.951 13.544 419 HB THR 56 HB THR 56 26.937 27.521 13.009 420 HG1 THR 56 HG1 THR 56 27.506 28.858 14.573 421 HG21 THR 56 3HG2 THR 56 28.528 28.157 11.431 422 HG22 THR 56 1HG2 THR 56 27.898 29.799 11.312 423 HG23 THR 56 2HG2 THR 56 27.005 28.458 10.595 424 H GLN 57 H GLN 57 25.201 29.579 10.121 425 HA GLN 57 HA GLN 57 24.995 32.460 10.689 426 HB2 GLN 57 2HB GLN 57 26.946 31.030 9.062 427 HB3 GLN 57 3HB GLN 57 26.120 32.295 8.161 428 HG2 GLN 57 2HG GLN 57 27.324 32.831 10.849 429 HG3 GLN 57 3HG GLN 57 28.291 32.885 9.376 430 HE21 GLN 57 1HE2 GLN 57 27.751 34.430 7.767 431 HE22 GLN 57 2HE2 GLN 57 26.906 35.878 8.184 432 H ASN 58 H ASN 58 24.147 29.771 8.598 433 HA ASN 58 HA ASN 58 22.270 31.438 7.104 434 HB2 ASN 58 2HB ASN 58 23.874 29.355 6.321 435 HB3 ASN 58 3HB ASN 58 22.317 28.557 6.522 436 HD21 ASN 58 1HD2 ASN 58 23.769 31.444 5.073 437 HD22 ASN 58 2HD2 ASN 58 22.762 31.456 3.669 438 H LYS 59 H LYS 59 20.060 31.125 7.098 439 HA LYS 59 HA LYS 59 19.022 29.601 9.384 440 HB2 LYS 59 2HB LYS 59 17.511 31.656 7.779 441 HB3 LYS 59 3HB LYS 59 17.141 31.050 9.388 442 HG2 LYS 59 2HG LYS 59 19.512 32.759 8.659 443 HG3 LYS 59 3HG LYS 59 18.039 33.315 9.458 444 HD2 LYS 59 2HD LYS 59 19.888 31.202 10.561 445 HD3 LYS 59 3HD LYS 59 19.935 32.907 11.017 446 HE2 LYS 59 2HE LYS 59 17.380 32.502 11.499 447 HE3 LYS 59 3HE LYS 59 17.897 30.822 11.637 448 HZ1 LYS 59 3HZ LYS 59 18.978 31.223 13.549 449 HZ2 LYS 59 1HZ LYS 59 17.943 32.557 13.656 450 HZ3 LYS 59 2HZ LYS 59 19.518 32.753 13.071 451 H ALA 60 H ALA 60 16.991 28.447 9.123 452 HA ALA 60 HA ALA 60 17.012 26.719 6.895 453 HB1 ALA 60 1HB ALA 60 14.926 25.817 7.817 454 HB2 ALA 60 2HB ALA 60 16.162 26.015 9.060 455 HB3 ALA 60 3HB ALA 60 14.840 27.177 8.937 456 H THR 61 H THR 61 15.812 26.641 5.053 457 HA THR 61 HA THR 61 14.112 28.984 4.497 458 HB THR 61 HB THR 61 15.035 27.512 2.147 459 HG1 THR 61 HG1 THR 61 17.190 28.045 2.331 460 HG21 THR 61 3HG2 THR 61 15.817 29.942 1.642 461 HG22 THR 61 1HG2 THR 61 14.884 30.354 3.080 462 HG23 THR 61 2HG2 THR 61 14.091 29.586 1.705 463 H TYR 62 H TYR 62 12.176 28.689 3.371 464 HA TYR 62 HA TYR 62 11.167 25.924 3.408 465 HB2 TYR 62 2HB TYR 62 8.890 27.095 3.436 466 HB3 TYR 62 3HB TYR 62 9.857 27.192 4.903 467 HD1 TYR 62 HD2 TYR 62 10.948 29.304 5.534 468 HD2 TYR 62 HD1 TYR 62 8.410 29.055 2.128 469 HE1 TYR 62 HE2 TYR 62 10.784 31.757 5.484 470 HE2 TYR 62 HE1 TYR 62 8.239 31.508 2.068 471 HH TYR 62 HH TYR 62 9.386 33.493 4.640 472 H LYS 63 H LYS 63 10.936 25.000 1.495 473 HA LYS 63 HA LYS 63 9.996 26.606 -0.770 474 HB2 LYS 63 2HB LYS 63 12.523 26.330 -0.814 475 HB3 LYS 63 3HB LYS 63 12.242 24.611 -1.056 476 HG2 LYS 63 2HG LYS 63 12.290 25.094 -3.229 477 HG3 LYS 63 3HG LYS 63 10.662 25.730 -2.986 478 HD2 LYS 63 2HD LYS 63 11.635 27.548 -3.968 479 HD3 LYS 63 3HD LYS 63 12.009 27.898 -2.279 480 HE2 LYS 63 2HE LYS 63 14.172 26.527 -2.769 481 HE3 LYS 63 3HE LYS 63 13.797 26.889 -4.453 482 HZ1 LYS 63 3HZ LYS 63 13.916 29.207 -4.012 483 HZ2 LYS 63 1HZ LYS 63 15.310 28.507 -3.357 484 HZ3 LYS 63 2HZ LYS 63 14.035 28.960 -2.343 485 H ASN 64 H ASN 64 8.775 25.484 -2.288 486 HA ASN 64 HA ASN 64 7.807 22.876 -1.366 487 HB2 ASN 64 2HB ASN 64 5.923 23.335 -2.995 488 HB3 ASN 64 3HB ASN 64 6.032 24.446 -1.633 489 HD21 ASN 64 1HD2 ASN 64 5.798 24.173 -4.950 490 HD22 ASN 64 2HD2 ASN 64 6.175 25.804 -5.377 491 H VAL 65 H VAL 65 8.304 21.068 -2.414 492 HA VAL 65 HA VAL 65 8.865 21.118 -5.269 493 HB VAL 65 HB VAL 65 10.966 19.827 -5.001 494 HG11 VAL 65 1HG1 VAL 65 10.744 22.413 -5.207 495 HG12 VAL 65 2HG1 VAL 65 11.348 22.411 -3.549 496 HG13 VAL 65 3HG1 VAL 65 12.312 21.696 -4.842 497 HG21 VAL 65 3HG2 VAL 65 12.092 20.117 -2.715 498 HG22 VAL 65 1HG2 VAL 65 10.467 20.424 -2.103 499 HG23 VAL 65 2HG2 VAL 65 10.845 18.879 -2.866 500 H ASP 66 H ASP 66 8.664 19.097 -6.278 501 HA ASP 66 HA ASP 66 6.742 17.373 -5.270 502 HB2 ASP 66 2HB ASP 66 7.705 17.652 -7.684 503 HB3 ASP 66 3HB ASP 66 8.813 16.374 -7.195 504 H SER 67 H SER 67 10.212 17.331 -4.875 505 HA SER 67 HA SER 67 10.165 15.721 -2.594 506 HB2 SER 67 2HB SER 67 9.719 13.738 -3.667 507 HB3 SER 67 3HB SER 67 10.454 14.267 -5.181 508 HG SER 67 HG SER 67 11.915 13.654 -2.827 509 H HIS 68 H HIS 68 12.000 16.654 -5.459 510 HA HIS 68 HA HIS 68 14.090 17.515 -5.718 511 HB2 HIS 68 2HB HIS 68 13.178 18.492 -3.218 512 HB3 HIS 68 3HB HIS 68 14.865 18.032 -3.007 513 HD1 HIS 68 HD1 HIS 68 15.791 20.390 -2.890 514 HD2 HIS 68 HD2 HIS 68 13.583 19.670 -6.335 515 HE1 HIS 68 HE1 HIS 68 16.207 22.372 -4.382 516 H SER 69 H SER 69 13.591 14.654 -4.968 517 HA SER 69 HA SER 69 15.836 13.791 -3.426 518 HB2 SER 69 2HB SER 69 13.768 12.457 -3.581 519 HB3 SER 69 3HB SER 69 14.060 12.209 -5.302 520 HG SER 69 HG SER 69 14.811 10.441 -4.093 521 H SER 70 H SER 70 15.554 14.960 -6.541 522 HA SER 70 HA SER 70 17.654 13.321 -7.696 523 HB2 SER 70 2HB SER 70 15.740 15.354 -8.691 524 HB3 SER 70 3HB SER 70 17.293 15.281 -9.522 525 HG SER 70 HG SER 70 16.898 13.002 -9.779 526 H ALA 71 H ALA 71 17.478 16.024 -5.731 527 HA ALA 71 HA ALA 71 20.135 16.954 -6.607 528 HB1 ALA 71 1HB ALA 71 18.072 18.535 -6.676 529 HB2 ALA 71 2HB ALA 71 18.325 18.642 -4.934 530 HB3 ALA 71 3HB ALA 71 19.608 19.129 -6.042 531 H ILE 72 H ILE 72 18.269 15.630 -4.044 532 HA ILE 72 HA ILE 72 20.536 15.981 -2.193 533 HB ILE 72 HB ILE 72 18.997 15.770 -0.336 534 HG12 ILE 72 2HG1 ILE 72 16.446 16.017 -1.253 535 HG13 ILE 72 3HG1 ILE 72 17.138 14.968 -2.486 536 HG21 ILE 72 1HG2 ILE 72 18.197 17.912 -0.400 537 HG22 ILE 72 2HG2 ILE 72 19.337 17.968 -1.744 538 HG23 ILE 72 3HG2 ILE 72 17.613 17.763 -2.058 539 HD11 ILE 72 3HD1 ILE 72 16.173 13.575 -0.842 540 HD12 ILE 72 1HD1 ILE 72 17.921 13.478 -0.627 541 HD13 ILE 72 2HD1 ILE 72 16.951 14.465 0.467 542 H THR 73 H THR 73 21.418 14.214 -1.248 543 HA THR 73 HA THR 73 20.541 11.616 -2.255 544 HB THR 73 HB THR 73 22.764 11.031 -0.827 545 HG1 THR 73 HG1 THR 73 23.770 12.822 -0.346 546 HG21 THR 73 3HG2 THR 73 22.118 10.803 -3.355 547 HG22 THR 73 1HG2 THR 73 23.810 10.738 -2.864 548 HG23 THR 73 2HG2 THR 73 23.144 12.226 -3.539 549 H PHE 74 H PHE 74 20.743 9.743 -0.693 550 HA PHE 74 HA PHE 74 19.575 10.512 1.900 551 HB2 PHE 74 2HB PHE 74 18.205 9.168 0.123 552 HB3 PHE 74 3HB PHE 74 19.172 7.804 0.676 553 HD1 PHE 74 HD1 PHE 74 19.213 7.416 3.249 554 HD2 PHE 74 HD2 PHE 74 16.243 9.685 1.212 555 HE1 PHE 74 HE1 PHE 74 17.673 7.091 5.140 556 HE2 PHE 74 HE2 PHE 74 14.699 9.365 3.101 557 HZ PHE 74 HZ PHE 74 15.413 8.067 5.068 558 H PHE 75 H PHE 75 21.744 10.672 2.753 559 HA PHE 75 HA PHE 75 22.560 8.371 4.137 560 HB2 PHE 75 2HB PHE 75 23.566 8.486 1.497 561 HB3 PHE 75 3HB PHE 75 24.908 8.886 2.564 562 HD1 PHE 75 HD2 PHE 75 24.342 7.236 4.911 563 HD2 PHE 75 HD1 PHE 75 23.973 6.331 0.768 564 HE1 PHE 75 HE2 PHE 75 24.657 4.848 5.408 565 HE2 PHE 75 HE1 PHE 75 24.287 3.940 1.259 566 HZ PHE 75 HZ PHE 75 24.631 3.196 3.582 567 H GLU 76 H GLU 76 25.249 8.901 4.560 568 HA GLU 76 HA GLU 76 25.751 11.664 5.026 569 HB2 GLU 76 2HB GLU 76 25.770 11.507 7.528 570 HB3 GLU 76 3HB GLU 76 24.168 11.467 6.806 571 HG2 GLU 76 2HG GLU 76 25.177 8.801 7.071 572 HG3 GLU 76 3HG GLU 76 25.290 9.646 8.614 573 HA PRO 77 HA PRO 77 29.714 9.630 4.848 574 HB2 PRO 77 2HB PRO 77 31.186 11.911 4.815 575 HB3 PRO 77 3HB PRO 77 30.333 11.298 3.394 576 HG2 PRO 77 2HG PRO 77 29.519 13.449 5.309 577 HG3 PRO 77 3HG PRO 77 29.401 13.423 3.540 578 HD2 PRO 77 2HD PRO 77 27.283 12.916 5.149 579 HD3 PRO 77 3HD PRO 77 27.482 12.146 3.562 580 H SER 78 H SER 78 31.959 10.633 6.007 581 HA SER 78 HA SER 78 31.534 10.005 8.768 582 HB2 SER 78 2HB SER 78 33.817 10.318 6.967 583 HB3 SER 78 3HB SER 78 34.130 10.946 8.585 584 HG SER 78 HG SER 78 33.174 8.819 9.268 585 H SER 79 H SER 79 31.462 12.867 6.954 586 HA SER 79 HA SER 79 31.061 15.031 7.554 587 HB2 SER 79 2HB SER 79 30.285 13.546 9.851 588 HB3 SER 79 3HB SER 79 31.190 14.953 10.411 589 HG SER 79 HG SER 79 28.999 15.016 8.605 590 H GLU 80 H GLU 80 33.033 13.917 10.303 591 HA GLU 80 HA GLU 80 34.725 16.133 10.344 592 HB2 GLU 80 2HB GLU 80 34.775 13.407 11.503 593 HB3 GLU 80 3HB GLU 80 36.319 14.244 11.420 594 HG2 GLU 80 2HG GLU 80 35.715 15.812 12.951 595 HG3 GLU 80 3HG GLU 80 34.006 15.731 12.525 596 H LYS 81 H LYS 81 34.755 13.314 8.341 597 HA LYS 81 HA LYS 81 37.488 13.631 7.480 598 HB2 LYS 81 2HB LYS 81 36.166 11.440 7.570 599 HB3 LYS 81 3HB LYS 81 35.367 11.992 6.104 600 HG2 LYS 81 2HG LYS 81 37.044 11.234 4.881 601 HG3 LYS 81 3HG LYS 81 38.177 12.266 5.757 602 HD2 LYS 81 2HD LYS 81 38.328 10.519 7.514 603 HD3 LYS 81 3HD LYS 81 37.300 9.482 6.522 604 HE2 LYS 81 2HE LYS 81 39.449 10.483 4.926 605 HE3 LYS 81 3HE LYS 81 40.106 9.790 6.409 606 HZ1 LYS 81 3HZ LYS 81 39.582 8.333 4.284 607 HZ2 LYS 81 1HZ LYS 81 38.057 8.251 5.014 608 HZ3 LYS 81 2HZ LYS 81 39.426 7.719 5.853 609 H ALA 82 H ALA 82 34.510 15.049 6.700 610 HA ALA 82 HA ALA 82 35.494 15.908 4.063 611 HB1 ALA 82 1HB ALA 82 33.385 15.896 3.289 612 HB2 ALA 82 2HB ALA 82 33.080 14.836 4.665 613 HB3 ALA 82 3HB ALA 82 32.722 16.558 4.783 614 H VAL 83 H VAL 83 34.929 16.947 7.255 615 HA VAL 83 HA VAL 83 34.413 19.703 6.733 616 HB VAL 83 HB VAL 83 35.468 18.362 9.226 617 HG11 VAL 83 1HG1 VAL 83 36.077 20.596 9.482 618 HG12 VAL 83 2HG1 VAL 83 34.632 21.184 8.657 619 HG13 VAL 83 3HG1 VAL 83 34.507 20.504 10.280 620 HG21 VAL 83 3HG2 VAL 83 32.863 19.285 9.620 621 HG22 VAL 83 1HG2 VAL 83 32.850 18.522 8.030 622 HG23 VAL 83 2HG2 VAL 83 33.384 17.609 9.441 623 H THR 84 H THR 84 35.797 21.445 6.746 624 HA THR 84 HA THR 84 38.675 20.903 6.940 625 HB THR 84 HB THR 84 37.919 22.832 4.838 626 HG1 THR 84 HG1 THR 84 37.477 20.030 4.546 627 HG21 THR 84 3HG2 THR 84 39.835 20.507 4.759 628 HG22 THR 84 1HG2 THR 84 40.252 22.078 5.441 629 HG23 THR 84 2HG2 THR 84 39.831 21.942 3.734 630 H ALA 85 H ALA 85 36.186 23.421 6.600 631 HA ALA 85 HA ALA 85 36.886 24.833 8.889 632 HB1 ALA 85 1HB ALA 85 38.352 25.688 6.424 633 HB2 ALA 85 2HB ALA 85 37.926 26.864 7.669 634 HB3 ALA 85 3HB ALA 85 38.953 25.488 8.070 635 H ASN 86 H ASN 86 34.527 24.095 7.630 636 HA ASN 86 HA ASN 86 33.417 26.624 6.628 637 HB2 ASN 86 2HB ASN 86 32.592 23.752 6.302 638 HB3 ASN 86 3HB ASN 86 31.436 25.053 6.033 639 HD21 ASN 86 1HD2 ASN 86 32.037 26.698 4.452 640 HD22 ASN 86 2HD2 ASN 86 32.974 26.226 3.079 641 H GLU 87 H GLU 87 32.793 27.790 8.360 642 HA GLU 87 HA GLU 87 31.942 26.887 10.823 643 HB2 GLU 87 2HB GLU 87 30.771 29.107 11.019 644 HB3 GLU 87 3HB GLU 87 32.465 29.195 10.557 645 HG2 GLU 87 2HG GLU 87 31.707 29.387 8.176 646 HG3 GLU 87 3HG GLU 87 30.062 29.549 8.789 647 H ASP 88 H ASP 88 29.939 27.703 8.002 648 HA ASP 88 HA ASP 88 27.458 27.120 9.192 649 HB2 ASP 88 2HB ASP 88 26.718 26.821 6.751 650 HB3 ASP 88 3HB ASP 88 27.374 28.389 7.212 651 H LEU 89 H LEU 89 29.737 25.116 7.389 652 HA LEU 89 HA LEU 89 28.128 22.831 7.137 653 HB2 LEU 89 2HB LEU 89 30.323 23.331 5.984 654 HB3 LEU 89 3HB LEU 89 31.118 22.828 7.475 655 HG LEU 89 HG LEU 89 30.166 20.585 7.221 656 HD11 LEU 89 1HD1 LEU 89 28.234 20.548 6.068 657 HD12 LEU 89 2HD1 LEU 89 29.300 20.310 4.684 658 HD13 LEU 89 3HD1 LEU 89 28.685 21.920 5.056 659 HD21 LEU 89 3HD2 LEU 89 32.278 21.646 5.879 660 HD22 LEU 89 1HD2 LEU 89 31.339 20.951 4.558 661 HD23 LEU 89 2HD2 LEU 89 31.860 19.932 5.900 662 H LEU 90 H LEU 90 30.106 24.020 9.770 663 HA LEU 90 HA LEU 90 30.239 21.681 11.312 664 HB2 LEU 90 2HB LEU 90 31.631 23.586 11.795 665 HB3 LEU 90 3HB LEU 90 30.216 24.578 12.140 666 HG LEU 90 HG LEU 90 29.779 23.360 14.160 667 HD11 LEU 90 1HD1 LEU 90 30.263 21.174 14.071 668 HD12 LEU 90 2HD1 LEU 90 31.845 21.673 14.671 669 HD13 LEU 90 3HD1 LEU 90 31.600 21.410 12.944 670 HD21 LEU 90 3HD2 LEU 90 31.400 25.155 14.333 671 HD22 LEU 90 1HD2 LEU 90 32.705 24.048 13.906 672 HD23 LEU 90 2HD2 LEU 90 31.834 23.839 15.425 673 H GLN 91 H GLN 91 27.928 24.386 11.455 674 HA GLN 91 HA GLN 91 26.313 23.249 13.476 675 HB2 GLN 91 2HB GLN 91 26.389 25.658 12.023 676 HB3 GLN 91 3HB GLN 91 24.801 24.965 11.723 677 HG2 GLN 91 2HG GLN 91 25.892 25.197 14.500 678 HG3 GLN 91 3HG GLN 91 25.090 26.553 13.710 679 HE21 GLN 91 1HE2 GLN 91 24.638 23.124 14.463 680 HE22 GLN 91 2HE2 GLN 91 22.937 23.230 14.743 681 H ALA 92 H ALA 92 26.166 23.152 9.950 682 HA ALA 92 HA ALA 92 23.670 21.888 9.703 683 HB1 ALA 92 1HB ALA 92 24.156 22.406 7.598 684 HB2 ALA 92 2HB ALA 92 25.872 22.577 7.973 685 HB3 ALA 92 3HB ALA 92 25.213 20.994 7.561 686 H ILE 93 H ILE 93 26.924 20.593 10.136 687 HA ILE 93 HA ILE 93 26.368 17.891 9.673 688 HB ILE 93 HB ILE 93 28.433 19.222 11.415 689 HG12 ILE 93 2HG1 ILE 93 29.026 17.577 8.995 690 HG13 ILE 93 3HG1 ILE 93 28.341 19.182 8.761 691 HG21 ILE 93 1HG2 ILE 93 28.283 17.185 12.493 692 HG22 ILE 93 2HG2 ILE 93 27.851 16.319 11.020 693 HG23 ILE 93 3HG2 ILE 93 29.510 16.861 11.269 694 HD11 ILE 93 3HD1 ILE 93 30.894 18.514 10.205 695 HD12 ILE 93 1HD1 ILE 93 30.739 19.280 8.624 696 HD13 ILE 93 2HD1 ILE 93 30.196 20.128 10.072 697 H ARG 94 H ARG 94 25.995 19.871 12.560 698 HA ARG 94 HA ARG 94 25.448 17.753 14.355 699 HB2 ARG 94 2HB ARG 94 26.054 20.216 14.856 700 HB3 ARG 94 3HB ARG 94 24.335 20.528 14.659 701 HG2 ARG 94 2HG ARG 94 23.772 19.196 16.510 702 HG3 ARG 94 3HG ARG 94 25.373 18.456 16.564 703 HD2 ARG 94 2HD ARG 94 26.108 20.985 16.891 704 HD3 ARG 94 3HD ARG 94 24.467 21.118 17.521 705 HE ARG 94 HE ARG 94 25.756 18.900 18.688 706 HH11 ARG 94 1HH1 ARG 94 25.783 22.381 18.730 707 HH12 ARG 94 2HH1 ARG 94 26.355 22.487 20.362 708 HH21 ARG 94 1HH2 ARG 94 26.509 19.026 20.837 709 HH22 ARG 94 2HH2 ARG 94 26.769 20.578 21.559 710 H ASN 95 H ASN 95 23.336 19.910 12.483 711 HA ASN 95 HA ASN 95 20.886 18.952 13.428 712 HB2 ASN 95 2HB ASN 95 21.556 20.080 10.700 713 HB3 ASN 95 3HB ASN 95 19.930 19.896 11.350 714 HD21 ASN 95 1HD2 ASN 95 20.090 20.763 13.858 715 HD22 ASN 95 2HD2 ASN 95 20.586 22.418 13.919 716 H ALA 96 H ALA 96 22.488 18.124 10.347 717 HA ALA 96 HA ALA 96 20.815 16.127 9.493 718 HB1 ALA 96 1HB ALA 96 22.318 15.936 7.868 719 HB2 ALA 96 2HB ALA 96 23.312 17.103 8.740 720 HB3 ALA 96 3HB ALA 96 23.554 15.374 8.994 721 H GLU 97 H GLU 97 23.247 15.981 12.004 722 HA GLU 97 HA GLU 97 23.280 13.140 12.241 723 HB2 GLU 97 2HB GLU 97 25.178 14.303 13.066 724 HB3 GLU 97 3HB GLU 97 24.188 15.374 14.048 725 HG2 GLU 97 2HG GLU 97 23.618 13.557 15.529 726 HG3 GLU 97 3HG GLU 97 24.494 12.416 14.510 727 H GLU 98 H GLU 98 21.559 15.742 13.910 728 HA GLU 98 HA GLU 98 20.298 14.074 15.826 729 HB2 GLU 98 2HB GLU 98 19.397 15.987 16.628 730 HB3 GLU 98 3HB GLU 98 20.563 16.750 15.557 731 HG2 GLU 98 2HG GLU 98 18.791 16.822 13.803 732 HG3 GLU 98 3HG GLU 98 17.648 16.252 15.018 733 H ASP 99 H ASP 99 19.457 15.118 12.584 734 HA ASP 99 HA ASP 99 16.801 13.975 12.730 735 HB2 ASP 99 2HB ASP 99 18.293 15.076 10.339 736 HB3 ASP 99 3HB ASP 99 16.572 14.710 10.415 737 H LYS 100 H LYS 100 16.878 11.797 12.943 738 HA LYS 100 HA LYS 100 18.003 10.304 10.689 739 HB2 LYS 100 2HB LYS 100 18.621 9.872 13.597 740 HB3 LYS 100 3HB LYS 100 18.692 8.535 12.456 741 HG2 LYS 100 2HG LYS 100 20.254 10.024 11.086 742 HG3 LYS 100 3HG LYS 100 20.374 11.014 12.543 743 HD2 LYS 100 2HD LYS 100 20.853 8.054 12.637 744 HD3 LYS 100 3HD LYS 100 22.134 9.170 12.157 745 HE2 LYS 100 2HE LYS 100 20.885 10.174 14.512 746 HE3 LYS 100 3HE LYS 100 21.284 8.476 14.770 747 HZ1 LYS 100 3HZ LYS 100 23.460 9.686 13.508 748 HZ2 LYS 100 1HZ LYS 100 23.378 9.066 15.080 749 HZ3 LYS 100 2HZ LYS 100 23.004 10.690 14.792 750 H GLU 101 H GLU 101 15.381 10.886 10.848 751 HA GLU 101 HA GLU 101 13.281 10.006 10.892 752 HB2 GLU 101 2HB GLU 101 14.567 8.334 9.461 753 HB3 GLU 101 3HB GLU 101 14.625 7.307 10.887 754 HG2 GLU 101 2HG GLU 101 11.966 7.957 10.718 755 HG3 GLU 101 3HG GLU 101 12.446 7.808 9.028 756 H SER 102 H SER 102 14.732 10.415 13.448 757 HA SER 102 HA SER 102 12.785 9.256 15.175 758 HB2 SER 102 2HB SER 102 14.470 7.362 14.742 759 HB3 SER 102 3HB SER 102 15.599 8.313 15.707 760 HG SER 102 HG SER 102 14.230 6.669 16.816 761 H ASN 103 H ASN 103 13.596 11.866 14.624 762 HA ASN 103 HA ASN 103 15.341 12.772 16.741 763 HB2 ASN 103 2HB ASN 103 14.972 13.795 14.349 764 HB3 ASN 103 3HB ASN 103 13.625 14.622 15.126 765 HD21 ASN 103 1HD2 ASN 103 14.461 16.651 15.023 766 HD22 ASN 103 2HD2 ASN 103 15.861 17.154 15.901 767 H ALA 104 H ALA 104 14.767 13.803 18.605 768 HA ALA 104 HA ALA 104 13.489 14.440 20.377 769 HB1 ALA 104 1HB ALA 104 12.061 16.030 19.784 770 HB2 ALA 104 2HB ALA 104 12.200 15.492 18.110 771 HB3 ALA 104 3HB ALA 104 10.936 14.831 19.146 772 H LEU 105 H LEU 105 13.538 11.630 19.375 773 HA LEU 105 HA LEU 105 10.989 10.674 20.492 774 HB2 LEU 105 2HB LEU 105 12.266 9.988 18.145 775 HB3 LEU 105 3HB LEU 105 12.689 8.671 19.238 776 HG LEU 105 HG LEU 105 10.139 8.554 19.692 777 HD11 LEU 105 1HD1 LEU 105 10.312 10.450 17.444 778 HD12 LEU 105 2HD1 LEU 105 9.061 10.247 18.670 779 HD13 LEU 105 3HD1 LEU 105 9.117 9.163 17.280 780 HD21 LEU 105 3HD2 LEU 105 9.890 6.933 17.973 781 HD22 LEU 105 1HD2 LEU 105 11.583 6.897 18.470 782 HD23 LEU 105 2HD2 LEU 105 11.120 7.708 16.973 783 H ARG 106 H ARG 106 14.493 10.121 20.546 784 HA ARG 106 HA ARG 106 14.195 8.525 22.983 785 HB2 ARG 106 2HB ARG 106 16.749 9.024 21.462 786 HB3 ARG 106 3HB ARG 106 16.407 7.739 22.613 787 HG2 ARG 106 2HG ARG 106 14.656 6.932 20.958 788 HG3 ARG 106 3HG ARG 106 15.402 8.039 19.803 789 HD2 ARG 106 2HD ARG 106 16.948 5.941 21.310 790 HD3 ARG 106 3HD ARG 106 16.215 5.648 19.733 791 HE ARG 106 HE ARG 106 17.777 7.946 19.529 792 HH11 ARG 106 1HH1 ARG 106 18.189 4.539 20.112 793 HH12 ARG 106 2HH1 ARG 106 19.776 4.479 19.420 794 HH21 ARG 106 1HH2 ARG 106 19.866 7.881 18.615 795 HH22 ARG 106 2HH2 ARG 106 20.730 6.381 18.570 796 H PHE 107 H PHE 107 16.244 11.182 21.770 797 HA PHE 107 HA PHE 107 16.324 12.239 24.518 798 HB2 PHE 107 2HB PHE 107 18.573 12.207 22.494 799 HB3 PHE 107 3HB PHE 107 18.626 13.047 24.041 800 HD1 PHE 107 HD2 PHE 107 18.490 9.739 22.430 801 HD2 PHE 107 HD1 PHE 107 19.061 11.886 26.060 802 HE1 PHE 107 HE2 PHE 107 19.319 7.689 23.508 803 HE2 PHE 107 HE1 PHE 107 19.892 9.839 27.144 804 HZ PHE 107 HZ PHE 107 20.020 7.737 25.869 805 H GLU 108 H GLU 108 17.119 14.616 24.465 806 HA GLU 108 HA GLU 108 15.267 16.060 22.810 807 HB2 GLU 108 2HB GLU 108 17.252 16.869 24.922 808 HB3 GLU 108 3HB GLU 108 16.380 18.067 23.976 809 HG2 GLU 108 2HG GLU 108 14.255 17.089 24.754 810 HG3 GLU 108 3HG GLU 108 15.169 15.970 25.763 811 HA PRO 109 HA PRO 109 17.934 17.062 19.459 812 HB2 PRO 109 2HB PRO 109 16.762 19.365 18.628 813 HB3 PRO 109 3HB PRO 109 16.045 17.772 18.361 814 HG2 PRO 109 2HG PRO 109 15.420 19.801 20.472 815 HG3 PRO 109 3HG PRO 109 14.309 18.811 19.508 816 HD2 PRO 109 2HD PRO 109 14.973 18.191 22.059 817 HD3 PRO 109 3HD PRO 109 14.609 16.953 20.840 818 H THR 110 H THR 110 18.860 19.326 18.514 819 HA THR 110 HA THR 110 20.549 20.836 18.780 820 HB THR 110 HB THR 110 19.061 21.601 21.298 821 HG1 THR 110 HG1 THR 110 17.872 22.974 19.933 822 HG21 THR 110 3HG2 THR 110 20.769 23.047 21.470 823 HG22 THR 110 1HG2 THR 110 20.024 23.884 20.109 824 HG23 THR 110 2HG2 THR 110 21.323 22.725 19.828 Start of MODEL 20 1 H1 MET 1 H MET 1 10.905 6.001 -8.441 2 HA MET 1 HA MET 1 9.516 4.240 -9.358 3 HB2 MET 1 2HB MET 1 11.795 4.116 -11.121 4 HB3 MET 1 3HB MET 1 11.420 2.514 -10.499 5 HG2 MET 1 2HG MET 1 9.350 4.307 -11.729 6 HG3 MET 1 3HG MET 1 10.314 3.168 -12.666 7 HE1 MET 1 3HE MET 1 6.410 2.224 -11.761 8 HE2 MET 1 1HE MET 1 6.890 3.317 -10.462 9 HE3 MET 1 2HE MET 1 7.269 3.719 -12.137 10 H LEU 2 H LEU 2 9.101 2.521 -8.069 11 HA LEU 2 HA LEU 2 9.316 1.021 -6.375 12 HB2 LEU 2 2HB LEU 2 11.028 0.095 -7.945 13 HB3 LEU 2 3HB LEU 2 12.249 1.009 -7.062 14 HG LEU 2 HG LEU 2 10.599 -0.768 -5.401 15 HD11 LEU 2 1HD1 LEU 2 11.996 -2.751 -6.119 16 HD12 LEU 2 2HD1 LEU 2 12.371 -1.838 -7.580 17 HD13 LEU 2 3HD1 LEU 2 10.700 -2.269 -7.215 18 HD21 LEU 2 3HD2 LEU 2 12.707 0.602 -4.819 19 HD22 LEU 2 1HD2 LEU 2 13.585 -0.696 -5.628 20 HD23 LEU 2 2HD2 LEU 2 12.581 -1.054 -4.222 21 H GLN 3 H GLN 3 10.227 0.713 -4.191 22 HA GLN 3 HA GLN 3 11.744 2.963 -3.132 23 HB2 GLN 3 2HB GLN 3 9.065 2.192 -1.967 24 HB3 GLN 3 3HB GLN 3 10.126 3.478 -1.407 25 HG2 GLN 3 2HG GLN 3 8.550 4.643 -2.601 26 HG3 GLN 3 3HG GLN 3 9.826 4.427 -3.797 27 HE21 GLN 3 1HE2 GLN 3 7.219 2.345 -2.588 28 HE22 GLN 3 2HE2 GLN 3 6.544 1.998 -4.140 29 H GLU 4 H GLU 4 11.503 2.495 -0.459 30 HA GLU 4 HA GLU 4 11.582 -0.160 0.393 31 HB2 GLU 4 2HB GLU 4 13.864 0.531 -1.118 32 HB3 GLU 4 3HB GLU 4 14.379 0.484 0.562 33 HG2 GLU 4 2HG GLU 4 12.721 -1.763 -0.426 34 HG3 GLU 4 3HG GLU 4 14.388 -1.660 -0.990 35 H ARG 5 H ARG 5 12.791 3.107 0.744 36 HA ARG 5 HA ARG 5 13.058 2.772 3.636 37 HB2 ARG 5 2HB ARG 5 14.847 3.945 2.385 38 HB3 ARG 5 3HB ARG 5 13.682 5.173 1.909 39 HG2 ARG 5 2HG ARG 5 15.082 5.902 3.775 40 HG3 ARG 5 3HG ARG 5 13.376 5.823 4.221 41 HD2 ARG 5 2HD ARG 5 13.817 4.379 5.852 42 HD3 ARG 5 3HD ARG 5 14.644 3.300 4.729 43 HE ARG 5 HE ARG 5 16.416 5.342 5.283 44 HH11 ARG 5 1HH1 ARG 5 14.733 2.872 7.068 45 HH12 ARG 5 2HH1 ARG 5 15.966 2.722 8.276 46 HH21 ARG 5 1HH2 ARG 5 18.046 5.154 6.867 47 HH22 ARG 5 2HH2 ARG 5 17.849 4.021 8.162 48 H VAL 6 H VAL 6 12.027 4.250 5.103 49 HA VAL 6 HA VAL 6 9.355 5.008 4.177 50 HB VAL 6 HB VAL 6 10.382 4.894 7.015 51 HG11 VAL 6 1HG1 VAL 6 7.609 5.106 5.853 52 HG12 VAL 6 2HG1 VAL 6 7.955 4.791 7.554 53 HG13 VAL 6 3HG1 VAL 6 8.457 6.314 6.818 54 HG21 VAL 6 3HG2 VAL 6 10.520 2.687 6.033 55 HG22 VAL 6 1HG2 VAL 6 9.165 2.750 7.161 56 HG23 VAL 6 2HG2 VAL 6 8.870 2.823 5.424 57 H PHE 7 H PHE 7 8.470 7.054 4.566 58 HA PHE 7 HA PHE 7 10.474 9.177 4.842 59 HB2 PHE 7 2HB PHE 7 7.661 9.261 3.732 60 HB3 PHE 7 3HB PHE 7 8.752 10.641 3.820 61 HD1 PHE 7 HD1 PHE 7 11.059 10.328 2.644 62 HD2 PHE 7 HD2 PHE 7 7.597 7.995 1.811 63 HE1 PHE 7 HE1 PHE 7 11.994 9.732 0.447 64 HE2 PHE 7 HE2 PHE 7 8.527 7.394 -0.387 65 HZ PHE 7 HZ PHE 7 10.728 8.262 -1.070 66 H HIS 8 H HIS 8 10.543 10.413 6.599 67 HA HIS 8 HA HIS 8 8.154 10.588 8.305 68 HB2 HIS 8 2HB HIS 8 10.103 9.007 9.087 69 HB3 HIS 8 3HB HIS 8 10.877 10.520 9.549 70 HD1 HIS 8 HD1 HIS 8 7.184 10.237 9.917 71 HD2 HIS 8 HD2 HIS 8 10.585 9.848 12.272 72 HE1 HIS 8 HE1 HIS 8 6.357 10.196 12.291 73 H ILE 9 H ILE 9 8.448 12.396 9.981 74 HA ILE 9 HA ILE 9 8.634 14.838 8.709 75 HB ILE 9 HB ILE 9 7.526 14.654 10.839 76 HG12 ILE 9 2HG1 ILE 9 9.902 16.414 11.390 77 HG13 ILE 9 3HG1 ILE 9 8.760 16.810 10.111 78 HG21 ILE 9 1HG2 ILE 9 10.221 14.235 12.115 79 HG22 ILE 9 2HG2 ILE 9 8.645 14.212 12.904 80 HG23 ILE 9 3HG2 ILE 9 9.081 12.936 11.767 81 HD11 ILE 9 3HD1 ILE 9 6.961 16.945 11.703 82 HD12 ILE 9 1HD1 ILE 9 8.030 16.415 13.002 83 HD13 ILE 9 2HD1 ILE 9 8.294 17.976 12.224 84 H ASN 10 H ASN 10 11.131 13.096 10.513 85 HA ASN 10 HA ASN 10 13.088 15.133 10.392 86 HB2 ASN 10 2HB ASN 10 13.801 12.219 10.483 87 HB3 ASN 10 3HB ASN 10 14.567 13.575 11.306 88 HD21 ASN 10 1HD2 ASN 10 11.778 11.461 11.264 89 HD22 ASN 10 2HD2 ASN 10 11.329 11.707 12.914 90 H ASP 11 H ASP 11 12.536 12.249 8.389 91 HA ASP 11 HA ASP 11 13.407 11.612 6.374 92 HB2 ASP 11 2HB ASP 11 11.943 13.842 6.032 93 HB3 ASP 11 3HB ASP 11 13.493 14.427 5.435 94 H ARG 12 H ARG 12 15.471 10.958 7.005 95 HA ARG 12 HA ARG 12 17.643 12.833 7.168 96 HB2 ARG 12 2HB ARG 12 19.042 10.752 7.352 97 HB3 ARG 12 3HB ARG 12 17.779 10.904 8.566 98 HG2 ARG 12 2HG ARG 12 16.992 8.919 8.000 99 HG3 ARG 12 3HG ARG 12 16.695 9.497 6.359 100 HD2 ARG 12 2HD ARG 12 19.381 9.087 6.304 101 HD3 ARG 12 3HD ARG 12 18.863 7.820 7.415 102 HE ARG 12 HE ARG 12 17.236 7.865 5.090 103 HH11 ARG 12 1HH1 ARG 12 20.368 6.890 6.256 104 HH12 ARG 12 2HH1 ARG 12 20.553 5.623 5.090 105 HH21 ARG 12 1HH2 ARG 12 17.467 6.199 3.549 106 HH22 ARG 12 2HH2 ARG 12 18.902 5.231 3.550 107 H VAL 13 H VAL 13 18.220 13.822 5.328 108 HA VAL 13 HA VAL 13 19.150 12.155 3.121 109 HB VAL 13 HB VAL 13 18.038 13.538 1.427 110 HG11 VAL 13 1HG1 VAL 13 15.809 12.621 1.664 111 HG12 VAL 13 2HG1 VAL 13 17.004 11.438 2.201 112 HG13 VAL 13 3HG1 VAL 13 16.074 12.354 3.387 113 HG21 VAL 13 3HG2 VAL 13 16.007 14.693 3.127 114 HG22 VAL 13 1HG2 VAL 13 17.612 15.297 3.541 115 HG23 VAL 13 2HG2 VAL 13 17.006 15.457 1.892 116 H TRP 14 H TRP 14 20.220 13.622 1.406 117 HA TRP 14 HA TRP 14 21.620 15.833 2.760 118 HB2 TRP 14 2HB TRP 14 22.699 13.445 1.408 119 HB3 TRP 14 3HB TRP 14 23.471 14.964 0.961 120 HD1 TRP 14 HD1 TRP 14 22.322 13.579 4.413 121 HE1 TRP 14 HE1 TRP 14 24.294 13.821 6.049 122 HE3 TRP 14 HE3 TRP 14 25.786 15.562 1.219 123 HZ2 TRP 14 HZ2 TRP 14 26.965 14.732 5.993 124 HZ3 TRP 14 HZ3 TRP 14 28.026 16.091 2.090 125 HH2 TRP 14 HH2 TRP 14 28.601 15.685 4.427 126 H LEU 15 H LEU 15 21.733 17.707 1.672 127 HA LEU 15 HA LEU 15 20.758 17.722 -1.106 128 HB2 LEU 15 2HB LEU 15 19.477 18.919 0.788 129 HB3 LEU 15 3HB LEU 15 20.770 20.113 0.700 130 HG LEU 15 HG LEU 15 19.560 19.517 -1.892 131 HD11 LEU 15 1HD1 LEU 15 17.691 19.388 -0.026 132 HD12 LEU 15 2HD1 LEU 15 17.414 20.206 -1.564 133 HD13 LEU 15 3HD1 LEU 15 17.815 21.145 -0.126 134 HD21 LEU 15 3HD2 LEU 15 19.402 22.057 -1.830 135 HD22 LEU 15 1HD2 LEU 15 21.018 21.354 -1.751 136 HD23 LEU 15 2HD2 LEU 15 20.248 21.961 -0.285 137 H LYS 16 H LYS 16 22.231 18.145 -2.597 138 HA LYS 16 HA LYS 16 24.796 19.268 -1.850 139 HB2 LYS 16 2HB LYS 16 24.738 17.364 -3.375 140 HB3 LYS 16 3HB LYS 16 23.750 18.277 -4.509 141 HG2 LYS 16 2HG LYS 16 26.062 18.189 -5.239 142 HG3 LYS 16 3HG LYS 16 25.585 19.845 -4.858 143 HD2 LYS 16 2HD LYS 16 27.786 19.435 -3.967 144 HD3 LYS 16 3HD LYS 16 26.644 19.586 -2.630 145 HE2 LYS 16 2HE LYS 16 28.201 17.733 -2.277 146 HE3 LYS 16 3HE LYS 16 26.540 17.162 -2.426 147 HZ1 LYS 16 3HZ LYS 16 28.096 17.258 -4.882 148 HZ2 LYS 16 1HZ LYS 16 26.979 16.104 -4.351 149 HZ3 LYS 16 2HZ LYS 16 28.561 16.088 -3.752 150 H THR 17 H THR 17 24.997 21.400 -1.706 151 HA THR 17 HA THR 17 23.248 23.294 -2.782 152 HB THR 17 HB THR 17 26.142 23.880 -2.182 153 HG1 THR 17 HG1 THR 17 23.983 23.446 -0.376 154 HG21 THR 17 3HG2 THR 17 24.176 25.526 -3.045 155 HG22 THR 17 1HG2 THR 17 25.517 26.048 -2.026 156 HG23 THR 17 2HG2 THR 17 23.959 25.655 -1.300 157 H GLY 18 H GLY 18 26.272 21.970 -4.039 158 HA2 GLY 18 2HA GLY 18 26.587 21.725 -6.408 159 HA3 GLY 18 3HA GLY 18 25.599 23.158 -6.647 160 H ALA 19 H ALA 19 28.300 22.709 -4.404 161 HA ALA 19 HA ALA 19 30.301 23.918 -5.927 162 HB1 ALA 19 1HB ALA 19 29.229 25.966 -6.020 163 HB2 ALA 19 2HB ALA 19 28.577 25.816 -4.388 164 HB3 ALA 19 3HB ALA 19 30.291 26.159 -4.625 165 H ASN 20 H ASN 20 30.401 21.807 -4.296 166 HA ASN 20 HA ASN 20 31.655 20.867 -2.645 167 HB2 ASN 20 2HB ASN 20 32.947 23.407 -3.184 168 HB3 ASN 20 3HB ASN 20 33.127 22.948 -1.493 169 HD21 ASN 20 1HD2 ASN 20 34.935 21.913 -1.126 170 HD22 ASN 20 2HD2 ASN 20 35.713 20.798 -2.193 171 H THR 21 H THR 21 29.129 22.623 -2.181 172 HA THR 21 HA THR 21 29.354 22.668 0.759 173 HB THR 21 HB THR 21 27.260 24.331 -0.530 174 HG1 THR 21 HG1 THR 21 28.971 26.034 -0.672 175 HG21 THR 21 3HG2 THR 21 28.578 25.824 1.358 176 HG22 THR 21 1HG2 THR 21 28.757 24.184 1.979 177 HG23 THR 21 2HG2 THR 21 27.149 24.835 1.656 178 H TRP 22 H TRP 22 27.991 21.396 1.839 179 HA TRP 22 HA TRP 22 25.556 20.462 0.475 180 HB2 TRP 22 2HB TRP 22 25.978 18.273 1.802 181 HB3 TRP 22 3HB TRP 22 26.898 18.558 0.327 182 HD1 TRP 22 HD1 TRP 22 27.327 18.709 4.160 183 HE1 TRP 22 HE1 TRP 22 29.827 18.413 4.700 184 HE3 TRP 22 HE3 TRP 22 29.191 18.710 -0.600 185 HZ2 TRP 22 HZ2 TRP 22 32.265 18.208 3.293 186 HZ3 TRP 22 HZ3 TRP 22 31.618 18.459 -0.917 187 HH2 TRP 22 HH2 TRP 22 33.122 18.214 0.991 188 H TRP 23 H TRP 23 23.734 20.580 1.645 189 HA TRP 23 HA TRP 23 23.962 20.959 4.552 190 HB2 TRP 23 2HB TRP 23 23.531 23.097 3.120 191 HB3 TRP 23 3HB TRP 23 21.898 22.455 2.967 192 HD1 TRP 23 HD1 TRP 23 20.375 22.429 5.167 193 HE1 TRP 23 HE1 TRP 23 20.553 23.703 7.396 194 HE3 TRP 23 HE3 TRP 23 25.218 24.026 4.804 195 HZ2 TRP 23 HZ2 TRP 23 22.490 25.190 8.812 196 HZ3 TRP 23 HZ3 TRP 23 26.157 25.370 6.639 197 HH2 TRP 23 HH2 TRP 23 24.820 25.939 8.600 198 HA PRO 24 HA PRO 24 20.953 17.726 4.653 199 HB2 PRO 24 2HB PRO 24 20.228 17.983 7.256 200 HB3 PRO 24 3HB PRO 24 21.761 17.260 6.753 201 HG2 PRO 24 2HG PRO 24 21.205 20.037 7.725 202 HG3 PRO 24 3HG PRO 24 22.548 18.954 8.138 203 HD2 PRO 24 2HD PRO 24 22.800 20.969 6.347 204 HD3 PRO 24 3HD PRO 24 23.707 19.449 6.208 205 H ALA 25 H ALA 25 18.808 17.567 4.282 206 HA ALA 25 HA ALA 25 17.113 19.882 4.953 207 HB1 ALA 25 1HB ALA 25 17.705 19.776 2.529 208 HB2 ALA 25 2HB ALA 25 16.848 18.237 2.444 209 HB3 ALA 25 3HB ALA 25 15.974 19.711 2.862 210 H LYS 26 H LYS 26 15.193 19.446 5.884 211 HA LYS 26 HA LYS 26 14.429 16.611 6.140 212 HB2 LYS 26 2HB LYS 26 13.447 17.192 8.320 213 HB3 LYS 26 3HB LYS 26 15.173 17.526 8.271 214 HG2 LYS 26 2HG LYS 26 14.550 19.473 9.196 215 HG3 LYS 26 3HG LYS 26 14.212 19.925 7.523 216 HD2 LYS 26 2HD LYS 26 12.043 20.150 7.970 217 HD3 LYS 26 3HD LYS 26 11.968 18.519 8.641 218 HE2 LYS 26 2HE LYS 26 11.482 19.585 10.559 219 HE3 LYS 26 3HE LYS 26 13.224 19.842 10.645 220 HZ1 LYS 26 3HZ LYS 26 11.103 21.736 9.908 221 HZ2 LYS 26 1HZ LYS 26 12.652 21.947 9.261 222 HZ3 LYS 26 2HZ LYS 26 12.427 21.955 10.937 223 H VAL 27 H VAL 27 12.412 16.031 5.574 224 HA VAL 27 HA VAL 27 10.691 18.080 4.420 225 HB VAL 27 HB VAL 27 10.258 15.093 4.422 226 HG11 VAL 27 1HG1 VAL 27 9.218 16.342 2.124 227 HG12 VAL 27 2HG1 VAL 27 8.325 15.604 3.456 228 HG13 VAL 27 3HG1 VAL 27 8.720 17.323 3.502 229 HG21 VAL 27 3HG2 VAL 27 12.107 16.765 2.876 230 HG22 VAL 27 1HG2 VAL 27 12.117 15.025 3.164 231 HG23 VAL 27 2HG2 VAL 27 11.088 15.704 1.903 232 H THR 28 H THR 28 9.085 18.957 5.528 233 HA THR 28 HA THR 28 8.260 17.861 8.065 234 HB THR 28 HB THR 28 8.476 20.273 7.860 235 HG1 THR 28 HG1 THR 28 6.866 20.389 9.217 236 HG21 THR 28 3HG2 THR 28 8.017 20.940 5.716 237 HG22 THR 28 1HG2 THR 28 6.486 21.354 6.487 238 HG23 THR 28 2HG2 THR 28 6.632 19.861 5.559 239 H SER 29 H SER 29 7.404 17.228 4.935 240 HA SER 29 HA SER 29 5.697 16.071 3.975 241 HB2 SER 29 2HB SER 29 5.950 14.884 6.344 242 HB3 SER 29 3HB SER 29 4.348 15.579 6.592 243 HG SER 29 HG SER 29 5.178 13.765 4.583 244 H VAL 30 H VAL 30 5.344 18.643 3.716 245 HA VAL 30 HA VAL 30 2.503 19.101 4.358 246 HB VAL 30 HB VAL 30 4.686 21.184 4.204 247 HG11 VAL 30 1HG1 VAL 30 1.797 21.363 3.964 248 HG12 VAL 30 2HG1 VAL 30 2.430 22.356 5.279 249 HG13 VAL 30 3HG1 VAL 30 3.036 22.574 3.637 250 HG21 VAL 30 3HG2 VAL 30 4.603 19.753 6.270 251 HG22 VAL 30 1HG2 VAL 30 4.398 21.483 6.545 252 HG23 VAL 30 2HG2 VAL 30 2.996 20.413 6.575 253 H THR 31 H THR 31 1.344 18.959 2.561 254 HA THR 31 HA THR 31 2.482 19.248 -0.045 255 HB THR 31 HB THR 31 0.656 17.680 0.304 256 HG1 THR 31 HG1 THR 31 -0.728 18.490 -1.426 257 HG21 THR 31 3HG2 THR 31 -0.440 19.565 1.933 258 HG22 THR 31 1HG2 THR 31 -1.307 18.166 1.301 259 HG23 THR 31 2HG2 THR 31 -1.444 19.728 0.493 260 H GLY 32 H GLY 32 1.489 20.698 -1.710 261 HA2 GLY 32 2HA GLY 32 0.906 23.346 -0.531 262 HA3 GLY 32 3HA GLY 32 1.917 23.134 -1.952 263 H VAL 33 H VAL 33 -1.158 21.554 -1.179 264 HA VAL 33 HA VAL 33 -2.554 23.144 -3.171 265 HB VAL 33 HB VAL 33 -2.259 20.152 -3.470 266 HG11 VAL 33 1HG1 VAL 33 -3.543 21.099 -5.708 267 HG12 VAL 33 2HG1 VAL 33 -4.307 20.257 -4.358 268 HG13 VAL 33 3HG1 VAL 33 -4.290 22.020 -4.404 269 HG21 VAL 33 3HG2 VAL 33 -0.321 21.332 -4.303 270 HG22 VAL 33 1HG2 VAL 33 -1.276 20.738 -5.662 271 HG23 VAL 33 2HG2 VAL 33 -1.348 22.441 -5.211 272 H GLU 34 H GLU 34 -3.179 19.930 -1.785 273 HA GLU 34 HA GLU 34 -4.857 20.729 0.296 274 HB2 GLU 34 2HB GLU 34 -7.072 20.086 -0.764 275 HB3 GLU 34 3HB GLU 34 -6.401 21.637 -1.249 276 HG2 GLU 34 2HG GLU 34 -6.044 20.978 -3.380 277 HG3 GLU 34 3HG GLU 34 -5.697 19.310 -2.925 278 H GLY 35 H GLY 35 -2.893 18.731 -0.344 279 HA2 GLY 35 2HA GLY 35 -2.677 16.601 0.666 280 HA3 GLY 35 3HA GLY 35 -4.413 16.378 0.511 281 H VAL 36 H VAL 36 -2.259 17.431 -2.066 282 HA VAL 36 HA VAL 36 -3.175 15.227 -3.715 283 HB VAL 36 HB VAL 36 -1.224 17.407 -4.460 284 HG11 VAL 36 1HG1 VAL 36 -2.808 16.550 -6.632 285 HG12 VAL 36 2HG1 VAL 36 -1.076 16.315 -6.387 286 HG13 VAL 36 3HG1 VAL 36 -2.221 15.100 -5.817 287 HG21 VAL 36 3HG2 VAL 36 -3.324 18.386 -3.671 288 HG22 VAL 36 1HG2 VAL 36 -3.128 18.603 -5.410 289 HG23 VAL 36 2HG2 VAL 36 -4.224 17.366 -4.794 290 H ASP 37 H ASP 37 -0.584 15.847 -1.645 291 HA ASP 37 HA ASP 37 1.614 14.699 -2.858 292 HB2 ASP 37 2HB ASP 37 1.799 15.763 -0.696 293 HB3 ASP 37 3HB ASP 37 0.744 14.556 0.034 294 H GLY 38 H GLY 38 -1.244 13.167 -1.577 295 HA2 GLY 38 2HA GLY 38 -0.054 10.508 -1.848 296 HA3 GLY 38 3HA GLY 38 -1.623 10.875 -1.146 297 H ARG 39 H ARG 39 -2.021 12.676 -3.625 298 HA ARG 39 HA ARG 39 -3.141 10.535 -5.271 299 HB2 ARG 39 2HB ARG 39 -3.603 13.514 -5.487 300 HB3 ARG 39 3HB ARG 39 -4.526 12.242 -6.276 301 HG2 ARG 39 2HG ARG 39 -5.423 11.503 -4.187 302 HG3 ARG 39 3HG ARG 39 -4.360 12.592 -3.293 303 HD2 ARG 39 2HD ARG 39 -5.654 14.397 -3.698 304 HD3 ARG 39 3HD ARG 39 -6.069 13.863 -5.326 305 HE ARG 39 HE ARG 39 -7.588 13.449 -2.950 306 HH11 ARG 39 1HH1 ARG 39 -6.785 12.057 -6.039 307 HH12 ARG 39 2HH1 ARG 39 -8.257 11.152 -6.160 308 HH21 ARG 39 1HH2 ARG 39 -9.531 12.262 -3.099 309 HH22 ARG 39 2HH2 ARG 39 -9.819 11.270 -4.488 310 H SER 40 H SER 40 -0.252 11.630 -5.174 311 HA SER 40 HA SER 40 1.467 11.866 -6.647 312 HB2 SER 40 2HB SER 40 -0.438 10.217 -7.969 313 HB3 SER 40 3HB SER 40 0.213 11.341 -9.162 314 HG SER 40 HG SER 40 1.725 9.659 -7.444 315 H SER 41 H SER 41 2.280 13.228 -8.399 316 HA SER 41 HA SER 41 1.001 15.795 -8.367 317 HB2 SER 41 2HB SER 41 3.329 15.960 -8.316 318 HB3 SER 41 3HB SER 41 3.543 14.709 -9.541 319 HG SER 41 HG SER 41 3.486 17.314 -9.903 320 H GLU 42 H GLU 42 0.954 13.069 -10.441 321 HA GLU 42 HA GLU 42 0.458 14.238 -12.927 322 HB2 GLU 42 2HB GLU 42 -0.400 12.129 -13.611 323 HB3 GLU 42 3HB GLU 42 0.875 11.795 -12.447 324 HG2 GLU 42 2HG GLU 42 -0.588 10.469 -11.437 325 HG3 GLU 42 3HG GLU 42 -1.376 11.942 -10.876 326 H THR 43 H THR 43 -1.516 14.032 -10.116 327 HA THR 43 HA THR 43 -4.040 14.362 -11.423 328 HB THR 43 HB THR 43 -3.261 14.850 -8.542 329 HG1 THR 43 HG1 THR 43 -3.995 12.788 -8.213 330 HG21 THR 43 3HG2 THR 43 -5.757 14.568 -8.185 331 HG22 THR 43 1HG2 THR 43 -5.938 14.809 -9.922 332 HG23 THR 43 2HG2 THR 43 -5.246 16.086 -8.922 333 H GLY 44 H GLY 44 -1.907 16.555 -9.592 334 HA2 GLY 44 2HA GLY 44 -2.888 18.782 -11.206 335 HA3 GLY 44 3HA GLY 44 -3.156 18.886 -9.473 336 H THR 45 H THR 45 -1.515 19.499 -8.153 337 HA THR 45 HA THR 45 1.193 19.665 -9.243 338 HB THR 45 HB THR 45 1.278 22.029 -8.116 339 HG1 THR 45 HG1 THR 45 -0.786 23.105 -8.470 340 HG21 THR 45 3HG2 THR 45 1.299 22.915 -10.213 341 HG22 THR 45 1HG2 THR 45 -0.214 22.137 -10.676 342 HG23 THR 45 2HG2 THR 45 1.286 21.210 -10.663 343 H SER 46 H SER 46 0.871 17.791 -7.553 344 HA SER 46 HA SER 46 0.785 18.439 -4.804 345 HB2 SER 46 2HB SER 46 0.392 16.208 -4.991 346 HB3 SER 46 3HB SER 46 1.401 16.047 -6.427 347 HG SER 46 HG SER 46 3.151 15.764 -5.192 348 H THR 47 H THR 47 2.207 19.823 -3.949 349 HA THR 47 HA THR 47 5.070 19.368 -4.488 350 HB THR 47 HB THR 47 5.522 21.687 -4.259 351 HG1 THR 47 HG1 THR 47 2.791 21.988 -3.488 352 HG21 THR 47 3HG2 THR 47 4.136 20.755 -6.341 353 HG22 THR 47 1HG2 THR 47 4.617 22.446 -6.209 354 HG23 THR 47 2HG2 THR 47 2.981 21.958 -5.768 355 H VAL 48 H VAL 48 6.280 18.831 -2.792 356 HA VAL 48 HA VAL 48 5.097 18.995 -0.120 357 HB VAL 48 HB VAL 48 7.569 17.516 -1.035 358 HG11 VAL 48 1HG1 VAL 48 7.759 18.026 1.290 359 HG12 VAL 48 2HG1 VAL 48 6.089 17.540 1.590 360 HG13 VAL 48 3HG1 VAL 48 7.296 16.331 1.150 361 HG21 VAL 48 3HG2 VAL 48 5.812 16.392 -2.063 362 HG22 VAL 48 1HG2 VAL 48 6.003 15.521 -0.541 363 HG23 VAL 48 2HG2 VAL 48 4.703 16.698 -0.726 364 H THR 49 H THR 49 5.553 20.773 0.994 365 HA THR 49 HA THR 49 7.934 22.320 0.472 366 HB THR 49 HB THR 49 5.931 22.786 2.681 367 HG1 THR 49 HG1 THR 49 4.560 23.395 1.197 368 HG21 THR 49 3HG2 THR 49 6.671 25.216 1.982 369 HG22 THR 49 1HG2 THR 49 8.101 24.372 1.387 370 HG23 THR 49 2HG2 THR 49 7.652 24.256 3.089 371 H VAL 50 H VAL 50 9.823 21.999 1.430 372 HA VAL 50 HA VAL 50 9.860 20.686 4.070 373 HB VAL 50 HB VAL 50 11.880 19.591 3.543 374 HG11 VAL 50 1HG1 VAL 50 9.773 18.725 2.443 375 HG12 VAL 50 2HG1 VAL 50 10.360 19.460 0.950 376 HG13 VAL 50 3HG1 VAL 50 11.295 18.186 1.734 377 HG21 VAL 50 3HG2 VAL 50 13.299 21.053 2.504 378 HG22 VAL 50 1HG2 VAL 50 12.835 20.057 1.124 379 HG23 VAL 50 2HG2 VAL 50 12.066 21.624 1.378 380 H LEU 51 H LEU 51 11.342 21.422 5.611 381 HA LEU 51 HA LEU 51 12.757 23.917 4.983 382 HB2 LEU 51 2HB LEU 51 10.453 24.053 6.274 383 HB3 LEU 51 3HB LEU 51 11.470 23.629 7.649 384 HG LEU 51 HG LEU 51 12.066 25.986 5.878 385 HD11 LEU 51 1HD1 LEU 51 9.749 26.043 6.946 386 HD12 LEU 51 2HD1 LEU 51 10.824 27.404 7.263 387 HD13 LEU 51 3HD1 LEU 51 10.597 26.157 8.489 388 HD21 LEU 51 3HD2 LEU 51 12.831 25.346 8.725 389 HD22 LEU 51 1HD2 LEU 51 13.359 26.737 7.777 390 HD23 LEU 51 2HD2 LEU 51 13.869 25.112 7.317 391 H THR 52 H THR 52 14.837 23.473 5.269 392 HA THR 52 HA THR 52 15.826 21.366 6.868 393 HB THR 52 HB THR 52 17.995 22.076 6.289 394 HG1 THR 52 HG1 THR 52 18.031 24.200 6.914 395 HG21 THR 52 3HG2 THR 52 16.742 23.311 3.924 396 HG22 THR 52 1HG2 THR 52 16.131 21.716 4.361 397 HG23 THR 52 2HG2 THR 52 17.849 21.944 4.037 398 H TYR 53 H TYR 53 17.917 22.268 8.318 399 HA TYR 53 HA TYR 53 16.589 23.727 10.495 400 HB2 TYR 53 2HB TYR 53 18.340 21.416 10.399 401 HB3 TYR 53 3HB TYR 53 18.965 22.649 11.488 402 HD1 TYR 53 HD1 TYR 53 15.738 20.938 10.688 403 HD2 TYR 53 HD2 TYR 53 18.256 22.608 13.684 404 HE1 TYR 53 HE1 TYR 53 14.156 20.200 12.420 405 HE2 TYR 53 HE2 TYR 53 16.681 21.874 15.424 406 HH TYR 53 HH TYR 53 14.669 20.994 15.835 407 HA PRO 54 HA PRO 54 19.257 27.187 10.024 408 HB2 PRO 54 2HB PRO 54 19.297 28.103 12.579 409 HB3 PRO 54 3HB PRO 54 17.890 28.268 11.522 410 HG2 PRO 54 2HG PRO 54 18.422 26.246 13.665 411 HG3 PRO 54 3HG PRO 54 16.926 27.127 13.304 412 HD2 PRO 54 2HD PRO 54 17.335 24.567 12.521 413 HD3 PRO 54 3HD PRO 54 16.361 25.711 11.575 414 H GLY 55 H GLY 55 21.404 27.332 9.851 415 HA2 GLY 55 2HA GLY 55 23.087 25.553 11.415 416 HA3 GLY 55 3HA GLY 55 23.595 26.547 10.059 417 H THR 56 H THR 56 25.285 27.647 10.873 418 HA THR 56 HA THR 56 24.942 29.023 13.447 419 HB THR 56 HB THR 56 26.918 27.658 13.421 420 HG1 THR 56 HG1 THR 56 27.942 30.247 12.928 421 HG21 THR 56 3HG2 THR 56 27.662 29.128 10.890 422 HG22 THR 56 1HG2 THR 56 27.238 27.422 11.028 423 HG23 THR 56 2HG2 THR 56 28.722 28.025 11.768 424 H GLN 57 H GLN 57 25.674 29.532 10.051 425 HA GLN 57 HA GLN 57 25.500 32.437 10.512 426 HB2 GLN 57 2HB GLN 57 27.508 30.881 9.149 427 HB3 GLN 57 3HB GLN 57 26.751 32.006 8.029 428 HG2 GLN 57 2HG GLN 57 28.008 32.734 10.665 429 HG3 GLN 57 3HG GLN 57 28.737 32.957 9.075 430 HE21 GLN 57 1HE2 GLN 57 27.604 34.378 7.576 431 HE22 GLN 57 2HE2 GLN 57 26.733 35.731 8.204 432 H ASN 58 H ASN 58 24.483 29.700 8.618 433 HA ASN 58 HA ASN 58 22.786 31.435 6.962 434 HB2 ASN 58 2HB ASN 58 24.394 29.332 6.226 435 HB3 ASN 58 3HB ASN 58 22.811 28.568 6.333 436 HD21 ASN 58 1HD2 ASN 58 24.475 31.364 4.957 437 HD22 ASN 58 2HD2 ASN 58 23.512 31.454 3.526 438 H LYS 59 H LYS 59 20.574 31.152 6.860 439 HA LYS 59 HA LYS 59 19.423 29.581 9.060 440 HB2 LYS 59 2HB LYS 59 19.044 32.224 8.372 441 HB3 LYS 59 3HB LYS 59 17.635 31.437 7.673 442 HG2 LYS 59 2HG LYS 59 17.006 32.126 9.834 443 HG3 LYS 59 3HG LYS 59 17.251 30.381 9.929 444 HD2 LYS 59 2HD LYS 59 19.504 30.769 10.844 445 HD3 LYS 59 3HD LYS 59 19.211 32.509 10.789 446 HE2 LYS 59 2HE LYS 59 17.039 31.257 12.143 447 HE3 LYS 59 3HE LYS 59 18.548 30.671 12.841 448 HZ1 LYS 59 3HZ LYS 59 17.346 33.281 13.001 449 HZ2 LYS 59 1HZ LYS 59 18.991 33.323 12.607 450 HZ3 LYS 59 2HZ LYS 59 18.479 32.547 14.021 451 H ALA 60 H ALA 60 17.565 28.302 8.714 452 HA ALA 60 HA ALA 60 17.543 26.925 6.217 453 HB1 ALA 60 1HB ALA 60 15.848 25.527 7.193 454 HB2 ALA 60 2HB ALA 60 17.096 25.839 8.400 455 HB3 ALA 60 3HB ALA 60 15.560 26.702 8.476 456 H THR 61 H THR 61 16.104 27.001 4.555 457 HA THR 61 HA THR 61 14.103 29.162 4.656 458 HB THR 61 HB THR 61 14.876 28.125 2.006 459 HG1 THR 61 HG1 THR 61 16.931 28.152 2.871 460 HG21 THR 61 3HG2 THR 61 14.456 30.836 3.250 461 HG22 THR 61 1HG2 THR 61 13.426 30.002 2.087 462 HG23 THR 61 2HG2 THR 61 15.001 30.620 1.587 463 H TYR 62 H TYR 62 12.211 28.813 3.176 464 HA TYR 62 HA TYR 62 11.361 25.994 3.293 465 HB2 TYR 62 2HB TYR 62 9.013 27.001 3.346 466 HB3 TYR 62 3HB TYR 62 9.986 27.184 4.801 467 HD1 TYR 62 HD2 TYR 62 10.986 29.383 5.350 468 HD2 TYR 62 HD1 TYR 62 8.318 28.900 2.072 469 HE1 TYR 62 HE2 TYR 62 10.644 31.817 5.278 470 HE2 TYR 62 HE1 TYR 62 7.969 31.334 1.990 471 HH TYR 62 HH TYR 62 9.926 33.530 3.755 472 H LYS 63 H LYS 63 11.115 25.047 1.393 473 HA LYS 63 HA LYS 63 10.175 26.641 -0.888 474 HB2 LYS 63 2HB LYS 63 12.667 26.304 -0.976 475 HB3 LYS 63 3HB LYS 63 12.370 24.574 -1.085 476 HG2 LYS 63 2HG LYS 63 11.235 24.843 -3.182 477 HG3 LYS 63 3HG LYS 63 11.330 26.601 -3.052 478 HD2 LYS 63 2HD LYS 63 13.679 26.590 -3.338 479 HD3 LYS 63 3HD LYS 63 13.772 24.844 -3.096 480 HE2 LYS 63 2HE LYS 63 12.978 24.374 -5.205 481 HE3 LYS 63 3HE LYS 63 12.127 25.912 -5.342 482 HZ1 LYS 63 3HZ LYS 63 14.100 25.778 -6.774 483 HZ2 LYS 63 1HZ LYS 63 15.080 25.606 -5.406 484 HZ3 LYS 63 2HZ LYS 63 14.213 27.037 -5.650 485 H ASN 64 H ASN 64 8.884 25.556 -2.364 486 HA ASN 64 HA ASN 64 7.829 22.996 -1.405 487 HB2 ASN 64 2HB ASN 64 5.880 23.478 -2.816 488 HB3 ASN 64 3HB ASN 64 6.205 24.813 -1.713 489 HD21 ASN 64 1HD2 ASN 64 5.989 23.800 -4.975 490 HD22 ASN 64 2HD2 ASN 64 6.300 25.334 -5.707 491 H VAL 65 H VAL 65 8.378 21.177 -2.395 492 HA VAL 65 HA VAL 65 8.799 21.138 -5.274 493 HB VAL 65 HB VAL 65 10.922 19.781 -4.953 494 HG11 VAL 65 1HG1 VAL 65 11.561 22.493 -3.993 495 HG12 VAL 65 2HG1 VAL 65 12.132 21.628 -5.422 496 HG13 VAL 65 3HG1 VAL 65 10.549 22.408 -5.435 497 HG21 VAL 65 3HG2 VAL 65 10.381 19.680 -2.386 498 HG22 VAL 65 1HG2 VAL 65 12.050 19.740 -2.953 499 HG23 VAL 65 2HG2 VAL 65 11.269 21.204 -2.356 500 H ASP 66 H ASP 66 8.567 19.087 -6.206 501 HA ASP 66 HA ASP 66 6.730 17.369 -5.047 502 HB2 ASP 66 2HB ASP 66 8.771 16.560 -7.124 503 HB3 ASP 66 3HB ASP 66 7.180 15.853 -6.860 504 H SER 67 H SER 67 10.249 17.251 -4.994 505 HA SER 67 HA SER 67 10.408 15.848 -2.587 506 HB2 SER 67 2HB SER 67 9.830 14.152 -4.801 507 HB3 SER 67 3HB SER 67 11.490 13.834 -4.299 508 HG SER 67 HG SER 67 10.516 13.757 -2.090 509 H HIS 68 H HIS 68 11.910 16.437 -5.721 510 HA HIS 68 HA HIS 68 13.990 17.149 -6.307 511 HB2 HIS 68 2HB HIS 68 13.461 18.355 -3.793 512 HB3 HIS 68 3HB HIS 68 15.138 17.819 -3.771 513 HD1 HIS 68 HD1 HIS 68 15.716 18.378 -6.816 514 HD2 HIS 68 HD2 HIS 68 13.954 21.036 -4.153 515 HE1 HIS 68 HE1 HIS 68 16.130 20.665 -7.777 516 H SER 69 H SER 69 13.454 14.385 -5.309 517 HA SER 69 HA SER 69 15.663 13.407 -3.874 518 HB2 SER 69 2HB SER 69 13.823 11.952 -3.986 519 HB3 SER 69 3HB SER 69 13.674 12.128 -5.735 520 HG SER 69 HG SER 69 14.775 10.156 -4.638 521 H SER 70 H SER 70 15.395 14.521 -7.080 522 HA SER 70 HA SER 70 17.633 12.984 -8.094 523 HB2 SER 70 2HB SER 70 15.511 14.570 -9.227 524 HB3 SER 70 3HB SER 70 17.067 15.110 -9.858 525 HG SER 70 HG SER 70 15.895 13.258 -10.924 526 H ALA 71 H ALA 71 17.331 15.608 -6.120 527 HA ALA 71 HA ALA 71 19.957 16.661 -6.947 528 HB1 ALA 71 1HB ALA 71 17.687 18.104 -7.089 529 HB2 ALA 71 2HB ALA 71 18.193 18.476 -5.440 530 HB3 ALA 71 3HB ALA 71 19.278 18.805 -6.791 531 H ILE 72 H ILE 72 18.291 15.006 -4.618 532 HA ILE 72 HA ILE 72 20.323 15.661 -2.601 533 HB ILE 72 HB ILE 72 18.646 15.432 -0.810 534 HG12 ILE 72 2HG1 ILE 72 16.229 15.936 -2.111 535 HG13 ILE 72 3HG1 ILE 72 16.977 14.654 -3.057 536 HG21 ILE 72 1HG2 ILE 72 17.388 17.567 -2.344 537 HG22 ILE 72 2HG2 ILE 72 18.305 17.640 -0.841 538 HG23 ILE 72 3HG2 ILE 72 19.150 17.619 -2.389 539 HD11 ILE 72 3HD1 ILE 72 16.418 14.599 -0.102 540 HD12 ILE 72 1HD1 ILE 72 15.545 13.721 -1.358 541 HD13 ILE 72 2HD1 ILE 72 17.228 13.323 -1.011 542 H THR 73 H THR 73 21.163 13.947 -1.525 543 HA THR 73 HA THR 73 20.348 11.299 -2.445 544 HB THR 73 HB THR 73 22.508 10.891 -0.790 545 HG1 THR 73 HG1 THR 73 23.970 12.550 -1.257 546 HG21 THR 73 3HG2 THR 73 22.245 11.336 -3.745 547 HG22 THR 73 1HG2 THR 73 22.469 9.825 -2.866 548 HG23 THR 73 2HG2 THR 73 23.808 10.961 -3.021 549 H PHE 74 H PHE 74 20.700 9.529 -0.670 550 HA PHE 74 HA PHE 74 19.249 10.397 1.744 551 HB2 PHE 74 2HB PHE 74 18.676 8.301 -0.170 552 HB3 PHE 74 3HB PHE 74 18.847 7.641 1.453 553 HD1 PHE 74 HD1 PHE 74 16.942 9.960 -0.663 554 HD2 PHE 74 HD2 PHE 74 17.237 8.099 3.153 555 HE1 PHE 74 HE1 PHE 74 14.654 10.693 -0.133 556 HE2 PHE 74 HE2 PHE 74 14.949 8.828 3.689 557 HZ PHE 74 HZ PHE 74 13.654 10.126 2.045 558 H PHE 75 H PHE 75 21.460 10.788 2.574 559 HA PHE 75 HA PHE 75 23.143 10.234 4.001 560 HB2 PHE 75 2HB PHE 75 21.131 8.699 4.843 561 HB3 PHE 75 3HB PHE 75 22.209 7.421 4.293 562 HD1 PHE 75 HD2 PHE 75 24.596 7.421 5.209 563 HD2 PHE 75 HD1 PHE 75 21.420 9.672 6.929 564 HE1 PHE 75 HE2 PHE 75 25.851 7.572 7.320 565 HE2 PHE 75 HE1 PHE 75 22.670 9.827 9.043 566 HZ PHE 75 HZ PHE 75 24.888 8.775 9.241 567 H GLU 76 H GLU 76 25.212 9.594 3.710 568 HA GLU 76 HA GLU 76 26.087 7.251 2.479 569 HB2 GLU 76 2HB GLU 76 25.205 9.266 0.620 570 HB3 GLU 76 3HB GLU 76 26.931 8.993 0.433 571 HG2 GLU 76 2HG GLU 76 26.222 6.473 0.457 572 HG3 GLU 76 3HG GLU 76 24.657 7.131 -0.018 573 HA PRO 77 HA PRO 77 29.787 10.341 2.672 574 HB2 PRO 77 2HB PRO 77 29.225 12.946 3.189 575 HB3 PRO 77 3HB PRO 77 29.281 12.283 1.552 576 HG2 PRO 77 2HG PRO 77 26.909 12.825 3.295 577 HG3 PRO 77 3HG PRO 77 27.123 13.147 1.565 578 HD2 PRO 77 2HD PRO 77 25.747 11.006 2.489 579 HD3 PRO 77 3HD PRO 77 26.673 10.965 0.974 580 H SER 78 H SER 78 30.888 11.618 4.457 581 HA SER 78 HA SER 78 29.685 10.848 7.024 582 HB2 SER 78 2HB SER 78 32.517 11.709 6.943 583 HB3 SER 78 3HB SER 78 31.771 10.359 7.798 584 HG SER 78 HG SER 78 32.744 9.270 6.262 585 H SER 79 H SER 79 30.629 13.547 5.127 586 HA SER 79 HA SER 79 30.310 15.786 5.442 587 HB2 SER 79 2HB SER 79 28.513 14.636 7.246 588 HB3 SER 79 3HB SER 79 29.418 15.806 8.206 589 HG SER 79 HG SER 79 27.527 16.654 7.104 590 H GLU 80 H GLU 80 31.054 14.673 8.745 591 HA GLU 80 HA GLU 80 32.887 16.704 9.306 592 HB2 GLU 80 2HB GLU 80 31.808 14.498 10.662 593 HB3 GLU 80 3HB GLU 80 33.550 14.266 10.710 594 HG2 GLU 80 2HG GLU 80 33.845 16.454 11.702 595 HG3 GLU 80 3HG GLU 80 32.112 16.760 11.589 596 H LYS 81 H LYS 81 33.252 13.738 7.560 597 HA LYS 81 HA LYS 81 36.134 13.712 7.705 598 HB2 LYS 81 2HB LYS 81 34.630 11.667 7.450 599 HB3 LYS 81 3HB LYS 81 34.415 12.158 5.775 600 HG2 LYS 81 2HG LYS 81 36.356 11.263 5.188 601 HG3 LYS 81 3HG LYS 81 37.209 12.105 6.483 602 HD2 LYS 81 2HD LYS 81 36.954 10.356 7.967 603 HD3 LYS 81 3HD LYS 81 35.531 9.721 7.136 604 HE2 LYS 81 2HE LYS 81 36.871 8.235 6.165 605 HE3 LYS 81 3HE LYS 81 37.585 9.569 5.261 606 HZ1 LYS 81 3HZ LYS 81 39.416 8.656 6.257 607 HZ2 LYS 81 1HZ LYS 81 38.587 8.208 7.662 608 HZ3 LYS 81 2HZ LYS 81 39.004 9.827 7.407 609 H ALA 82 H ALA 82 33.799 15.331 5.861 610 HA ALA 82 HA ALA 82 35.714 15.839 3.685 611 HB1 ALA 82 1HB ALA 82 33.691 15.036 2.777 612 HB2 ALA 82 2HB ALA 82 32.720 16.086 3.811 613 HB3 ALA 82 3HB ALA 82 33.680 16.779 2.504 614 H VAL 83 H VAL 83 34.256 17.224 6.432 615 HA VAL 83 HA VAL 83 34.130 19.933 5.725 616 HB VAL 83 HB VAL 83 33.190 18.920 7.819 617 HG11 VAL 83 1HG1 VAL 83 35.686 19.380 9.296 618 HG12 VAL 83 2HG1 VAL 83 34.466 18.120 9.488 619 HG13 VAL 83 3HG1 VAL 83 35.699 17.972 8.235 620 HG21 VAL 83 3HG2 VAL 83 33.045 21.217 7.833 621 HG22 VAL 83 1HG2 VAL 83 34.021 20.932 9.274 622 HG23 VAL 83 2HG2 VAL 83 34.793 21.437 7.771 623 H THR 84 H THR 84 35.599 21.548 5.641 624 HA THR 84 HA THR 84 38.410 20.828 6.165 625 HB THR 84 HB THR 84 37.395 22.854 4.162 626 HG1 THR 84 HG1 THR 84 37.032 20.540 3.682 627 HG21 THR 84 3HG2 THR 84 39.495 23.590 4.094 628 HG22 THR 84 1HG2 THR 84 40.037 21.977 3.633 629 HG23 THR 84 2HG2 THR 84 39.960 22.428 5.336 630 H ALA 85 H ALA 85 36.115 23.544 6.130 631 HA ALA 85 HA ALA 85 36.817 24.526 8.642 632 HB1 ALA 85 1HB ALA 85 38.933 25.192 7.992 633 HB2 ALA 85 2HB ALA 85 38.405 25.653 6.373 634 HB3 ALA 85 3HB ALA 85 37.991 26.665 7.758 635 H ASN 86 H ASN 86 34.512 24.126 6.987 636 HA ASN 86 HA ASN 86 33.556 26.801 6.344 637 HB2 ASN 86 2HB ASN 86 32.577 24.021 5.832 638 HB3 ASN 86 3HB ASN 86 31.422 25.350 5.791 639 HD21 ASN 86 1HD2 ASN 86 31.911 27.143 4.343 640 HD22 ASN 86 2HD2 ASN 86 32.738 26.814 2.861 641 H GLU 87 H GLU 87 32.892 27.976 8.025 642 HA GLU 87 HA GLU 87 32.137 27.098 10.526 643 HB2 GLU 87 2HB GLU 87 30.944 29.309 10.730 644 HB3 GLU 87 3HB GLU 87 32.622 29.407 10.217 645 HG2 GLU 87 2HG GLU 87 31.792 29.561 7.857 646 HG3 GLU 87 3HG GLU 87 30.164 29.711 8.516 647 H ASP 88 H ASP 88 30.021 27.862 7.773 648 HA ASP 88 HA ASP 88 27.597 27.243 9.072 649 HB2 ASP 88 2HB ASP 88 26.592 27.284 6.881 650 HB3 ASP 88 3HB ASP 88 27.801 28.562 6.960 651 H LEU 89 H LEU 89 29.825 25.295 7.145 652 HA LEU 89 HA LEU 89 28.253 22.990 6.915 653 HB2 LEU 89 2HB LEU 89 30.407 23.518 5.717 654 HB3 LEU 89 3HB LEU 89 31.250 23.045 7.190 655 HG LEU 89 HG LEU 89 30.326 20.777 6.971 656 HD11 LEU 89 1HD1 LEU 89 28.543 22.021 5.193 657 HD12 LEU 89 2HD1 LEU 89 28.618 20.317 5.638 658 HD13 LEU 89 3HD1 LEU 89 29.509 20.901 4.233 659 HD21 LEU 89 3HD2 LEU 89 32.458 21.772 5.732 660 HD22 LEU 89 1HD2 LEU 89 31.527 21.297 4.311 661 HD23 LEU 89 2HD2 LEU 89 31.947 20.095 5.532 662 H LEU 90 H LEU 90 30.325 24.138 9.506 663 HA LEU 90 HA LEU 90 30.508 21.800 11.022 664 HB2 LEU 90 2HB LEU 90 31.881 23.667 11.561 665 HB3 LEU 90 3HB LEU 90 30.478 24.700 11.825 666 HG LEU 90 HG LEU 90 29.949 23.570 13.869 667 HD11 LEU 90 1HD1 LEU 90 32.012 21.611 12.946 668 HD12 LEU 90 2HD1 LEU 90 30.375 21.319 13.533 669 HD13 LEU 90 3HD1 LEU 90 31.646 21.789 14.662 670 HD21 LEU 90 3HD2 LEU 90 31.893 25.272 13.704 671 HD22 LEU 90 1HD2 LEU 90 32.922 23.874 14.014 672 HD23 LEU 90 2HD2 LEU 90 31.691 24.340 15.188 673 H GLN 91 H GLN 91 28.139 24.449 11.255 674 HA GLN 91 HA GLN 91 26.585 23.236 13.281 675 HB2 GLN 91 2HB GLN 91 26.568 25.668 11.838 676 HB3 GLN 91 3HB GLN 91 24.981 24.943 11.623 677 HG2 GLN 91 2HG GLN 91 25.166 26.496 13.558 678 HG3 GLN 91 3HG GLN 91 24.602 24.876 13.965 679 HE21 GLN 91 1HE2 GLN 91 25.311 24.478 15.942 680 HE22 GLN 91 2HE2 GLN 91 26.938 24.674 16.490 681 H ALA 92 H ALA 92 26.432 23.153 9.762 682 HA ALA 92 HA ALA 92 23.941 21.883 9.500 683 HB1 ALA 92 1HB ALA 92 25.917 22.803 7.777 684 HB2 ALA 92 2HB ALA 92 25.810 21.073 7.451 685 HB3 ALA 92 3HB ALA 92 24.371 22.084 7.327 686 H ILE 93 H ILE 93 27.196 20.596 9.954 687 HA ILE 93 HA ILE 93 26.640 17.891 9.498 688 HB ILE 93 HB ILE 93 28.696 19.182 11.288 689 HG12 ILE 93 2HG1 ILE 93 29.316 17.713 8.765 690 HG13 ILE 93 3HG1 ILE 93 28.610 19.320 8.637 691 HG21 ILE 93 1HG2 ILE 93 27.964 16.367 10.943 692 HG22 ILE 93 2HG2 ILE 93 29.680 16.708 10.727 693 HG23 ILE 93 3HG2 ILE 93 28.875 17.155 12.231 694 HD11 ILE 93 3HD1 ILE 93 31.036 18.795 10.312 695 HD12 ILE 93 1HD1 ILE 93 31.144 19.132 8.585 696 HD13 ILE 93 2HD1 ILE 93 30.442 20.328 9.675 697 H ARG 94 H ARG 94 26.291 19.878 12.386 698 HA ARG 94 HA ARG 94 25.736 17.764 14.184 699 HB2 ARG 94 2HB ARG 94 26.114 20.496 14.392 700 HB3 ARG 94 3HB ARG 94 24.419 20.293 14.816 701 HG2 ARG 94 2HG ARG 94 24.990 18.751 16.571 702 HG3 ARG 94 3HG ARG 94 26.688 18.783 16.092 703 HD2 ARG 94 2HD ARG 94 27.070 20.749 17.118 704 HD3 ARG 94 3HD ARG 94 25.508 21.414 16.642 705 HE ARG 94 HE ARG 94 24.692 20.808 18.682 706 HH11 ARG 94 1HH1 ARG 94 27.561 18.945 18.034 707 HH12 ARG 94 2HH1 ARG 94 27.593 18.206 19.600 708 HH21 ARG 94 1HH2 ARG 94 24.723 19.841 20.748 709 HH22 ARG 94 2HH2 ARG 94 25.978 18.715 21.143 710 H ASN 95 H ASN 95 23.618 19.964 12.362 711 HA ASN 95 HA ASN 95 21.173 19.008 13.308 712 HB2 ASN 95 2HB ASN 95 21.987 20.337 10.733 713 HB3 ASN 95 3HB ASN 95 20.320 19.846 11.019 714 HD21 ASN 95 1HD2 ASN 95 21.981 22.469 10.892 715 HD22 ASN 95 2HD2 ASN 95 21.354 23.375 12.223 716 H ALA 96 H ALA 96 22.760 18.185 10.218 717 HA ALA 96 HA ALA 96 21.070 16.221 9.335 718 HB1 ALA 96 1HB ALA 96 23.918 15.578 8.980 719 HB2 ALA 96 2HB ALA 96 22.640 15.790 7.782 720 HB3 ALA 96 3HB ALA 96 23.440 17.200 8.477 721 H GLU 97 H GLU 97 23.503 15.994 11.852 722 HA GLU 97 HA GLU 97 23.430 13.154 12.084 723 HB2 GLU 97 2HB GLU 97 25.376 14.237 12.899 724 HB3 GLU 97 3HB GLU 97 24.437 15.349 13.884 725 HG2 GLU 97 2HG GLU 97 25.516 13.684 15.265 726 HG3 GLU 97 3HG GLU 97 23.764 13.506 15.334 727 H GLU 98 H GLU 98 21.815 15.816 13.763 728 HA GLU 98 HA GLU 98 20.508 14.198 15.690 729 HB2 GLU 98 2HB GLU 98 19.678 16.143 16.491 730 HB3 GLU 98 3HB GLU 98 20.864 16.862 15.412 731 HG2 GLU 98 2HG GLU 98 19.080 16.979 13.666 732 HG3 GLU 98 3HG GLU 98 17.928 16.471 14.900 733 H ASP 99 H ASP 99 19.698 15.236 12.443 734 HA ASP 99 HA ASP 99 16.997 14.211 12.606 735 HB2 ASP 99 2HB ASP 99 18.611 15.686 10.594 736 HB3 ASP 99 3HB ASP 99 17.304 14.677 9.982 737 H LYS 100 H LYS 100 16.980 12.036 12.860 738 HA LYS 100 HA LYS 100 18.023 10.454 10.629 739 HB2 LYS 100 2HB LYS 100 18.658 10.048 13.539 740 HB3 LYS 100 3HB LYS 100 18.672 8.694 12.416 741 HG2 LYS 100 2HG LYS 100 20.241 10.233 11.016 742 HG3 LYS 100 3HG LYS 100 20.484 11.057 12.559 743 HD2 LYS 100 2HD LYS 100 20.859 8.094 12.131 744 HD3 LYS 100 3HD LYS 100 22.165 9.281 12.081 745 HE2 LYS 100 2HE LYS 100 21.154 9.945 14.436 746 HE3 LYS 100 3HE LYS 100 20.586 8.277 14.393 747 HZ1 LYS 100 3HZ LYS 100 22.848 8.729 15.432 748 HZ2 LYS 100 1HZ LYS 100 23.411 8.954 13.852 749 HZ3 LYS 100 2HZ LYS 100 22.752 7.466 14.312 750 H GLU 101 H GLU 101 15.425 11.151 10.826 751 HA GLU 101 HA GLU 101 13.301 10.338 10.874 752 HB2 GLU 101 2HB GLU 101 14.659 8.490 9.621 753 HB3 GLU 101 3HB GLU 101 14.389 7.554 11.084 754 HG2 GLU 101 2HG GLU 101 11.927 8.039 10.782 755 HG3 GLU 101 3HG GLU 101 12.342 8.646 9.180 756 H SER 102 H SER 102 14.752 10.836 13.409 757 HA SER 102 HA SER 102 12.758 9.909 15.195 758 HB2 SER 102 2HB SER 102 14.311 7.860 14.811 759 HB3 SER 102 3HB SER 102 15.456 8.740 15.823 760 HG SER 102 HG SER 102 12.795 8.072 16.554 761 H ASN 103 H ASN 103 13.722 12.410 14.578 762 HA ASN 103 HA ASN 103 15.527 13.205 16.725 763 HB2 ASN 103 2HB ASN 103 15.848 14.138 14.455 764 HB3 ASN 103 3HB ASN 103 14.252 14.877 14.548 765 HD21 ASN 103 1HD2 ASN 103 16.840 14.612 16.947 766 HD22 ASN 103 2HD2 ASN 103 17.023 16.312 17.192 767 H ALA 104 H ALA 104 14.957 14.429 18.464 768 HA ALA 104 HA ALA 104 13.632 15.290 20.103 769 HB1 ALA 104 1HB ALA 104 13.169 16.815 18.003 770 HB2 ALA 104 2HB ALA 104 11.558 16.110 18.136 771 HB3 ALA 104 3HB ALA 104 12.246 17.001 19.494 772 H LEU 105 H LEU 105 13.171 12.523 19.072 773 HA LEU 105 HA LEU 105 10.363 12.178 19.884 774 HB2 LEU 105 2HB LEU 105 12.062 10.889 17.888 775 HB3 LEU 105 3HB LEU 105 11.176 9.750 18.899 776 HG LEU 105 HG LEU 105 9.616 11.969 17.710 777 HD11 LEU 105 1HD1 LEU 105 9.466 10.989 15.552 778 HD12 LEU 105 2HD1 LEU 105 10.452 9.611 16.038 779 HD13 LEU 105 3HD1 LEU 105 11.180 11.211 15.902 780 HD21 LEU 105 3HD2 LEU 105 7.920 10.282 17.567 781 HD22 LEU 105 1HD2 LEU 105 8.665 10.186 19.163 782 HD23 LEU 105 2HD2 LEU 105 9.089 9.008 17.920 783 H ARG 106 H ARG 106 13.627 10.855 20.302 784 HA ARG 106 HA ARG 106 12.815 9.911 22.962 785 HB2 ARG 106 2HB ARG 106 12.850 7.999 21.369 786 HB3 ARG 106 3HB ARG 106 14.546 8.336 21.049 787 HG2 ARG 106 2HG ARG 106 14.435 8.145 23.799 788 HG3 ARG 106 3HG ARG 106 13.318 6.897 23.244 789 HD2 ARG 106 2HD ARG 106 14.967 5.739 22.111 790 HD3 ARG 106 3HD ARG 106 16.005 7.157 21.967 791 HE ARG 106 HE ARG 106 15.724 6.473 24.682 792 HH11 ARG 106 1HH1 ARG 106 17.222 5.337 21.752 793 HH12 ARG 106 2HH1 ARG 106 18.519 4.532 22.573 794 HH21 ARG 106 1HH2 ARG 106 17.425 5.417 25.774 795 HH22 ARG 106 2HH2 ARG 106 18.633 4.577 24.860 796 H PHE 107 H PHE 107 13.850 11.810 23.752 797 HA PHE 107 HA PHE 107 16.733 11.467 24.033 798 HB2 PHE 107 2HB PHE 107 15.397 13.769 22.704 799 HB3 PHE 107 3HB PHE 107 16.749 14.128 23.774 800 HD1 PHE 107 HD2 PHE 107 18.975 13.077 23.314 801 HD2 PHE 107 HD1 PHE 107 15.742 12.901 20.552 802 HE1 PHE 107 HE2 PHE 107 20.552 12.517 21.510 803 HE2 PHE 107 HE1 PHE 107 17.313 12.339 18.743 804 HZ PHE 107 HZ PHE 107 19.721 12.148 19.221 805 H GLU 108 H GLU 108 17.597 13.115 25.679 806 HA GLU 108 HA GLU 108 16.098 12.812 28.072 807 HB2 GLU 108 2HB GLU 108 18.633 14.281 27.385 808 HB3 GLU 108 3HB GLU 108 17.925 14.374 28.991 809 HG2 GLU 108 2HG GLU 108 17.953 11.709 28.652 810 HG3 GLU 108 3HG GLU 108 19.345 12.161 27.670 811 HA PRO 109 HA PRO 109 13.605 16.435 28.034 812 HB2 PRO 109 2HB PRO 109 13.257 16.767 30.706 813 HB3 PRO 109 3HB PRO 109 12.458 15.486 29.785 814 HG2 PRO 109 2HG PRO 109 14.916 15.344 31.488 815 HG3 PRO 109 3HG PRO 109 13.558 14.208 31.386 816 HD2 PRO 109 2HD PRO 109 15.916 13.775 30.128 817 HD3 PRO 109 3HD PRO 109 14.365 13.219 29.467 818 H THR 110 H THR 110 13.469 18.532 29.617 819 HA THR 110 HA THR 110 14.396 20.558 30.083 820 HB THR 110 HB THR 110 17.106 19.630 30.665 821 HG1 THR 110 HG1 THR 110 16.304 18.409 32.544 822 HG21 THR 110 3HG2 THR 110 16.521 21.667 31.621 823 HG22 THR 110 1HG2 THR 110 16.323 20.543 32.965 824 HG23 THR 110 2HG2 THR 110 14.911 21.107 32.071
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