NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24176 | 2k0z | 15661 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -5.273 15.271 -8.930 2 H1 MET 1 1H MET 1 -7.147 14.749 -6.713 3 H2 MET 1 2H MET 1 -7.508 14.888 -8.356 4 H3 MET 1 3H MET 1 -6.982 16.240 -7.488 5 HB2 MET 1 1HB MET 1 -4.627 16.613 -6.948 6 HB3 MET 1 2HB MET 1 -4.689 15.179 -5.936 7 HG2 MET 1 1HG MET 1 -2.847 14.201 -7.376 8 HG3 MET 1 2HG MET 1 -2.710 15.780 -8.147 9 HE1 MET 1 3HE MET 1 -1.459 17.995 -5.098 10 HE2 MET 1 1HE MET 1 -3.124 17.792 -5.644 11 HE3 MET 1 2HE MET 1 -1.828 17.997 -6.822 12 H LEU 2 H LEU 2 -5.709 13.170 -5.988 13 HA LEU 2 HA LEU 2 -4.048 11.164 -7.285 14 HG LEU 2 HG LEU 2 -6.002 9.803 -4.389 15 HB2 LEU 2 1HB LEU 2 -3.672 10.186 -5.233 16 HB3 LEU 2 2HB LEU 2 -3.824 11.885 -4.842 17 HD11 LEU 2 1HD1 LEU 2 -5.418 9.948 -2.020 18 HD12 LEU 2 2HD1 LEU 2 -4.091 11.051 -2.395 19 HD13 LEU 2 3HD1 LEU 2 -4.051 9.383 -2.975 20 HD21 LEU 2 3HD2 LEU 2 -7.104 11.494 -3.011 21 HD22 LEU 2 1HD2 LEU 2 -6.933 12.060 -4.672 22 HD23 LEU 2 2HD2 LEU 2 -5.851 12.670 -3.416 23 H GLU 3 H GLU 3 -7.179 11.700 -7.645 24 HA GLU 3 HA GLU 3 -8.485 9.228 -7.358 25 HB2 GLU 3 1HB GLU 3 -9.380 10.591 -9.832 26 HB3 GLU 3 2HB GLU 3 -10.282 10.246 -8.371 27 HG2 GLU 3 1HG GLU 3 -8.498 12.651 -8.821 28 HG3 GLU 3 2HG GLU 3 -10.254 12.636 -8.968 29 H ASP 4 H ASP 4 -6.415 10.535 -9.877 30 HA ASP 4 HA ASP 4 -6.556 8.385 -11.760 31 HB2 ASP 4 1HB ASP 4 -4.407 10.525 -11.389 32 HB3 ASP 4 2HB ASP 4 -4.602 9.509 -12.820 33 H TYR 5 H TYR 5 -4.709 8.966 -8.876 34 HA TYR 5 HA TYR 5 -2.620 7.012 -9.351 35 HD1 TYR 5 HD1 TYR 5 -3.268 10.296 -9.156 36 HD2 TYR 5 HD2 TYR 5 0.012 8.632 -6.974 37 HE1 TYR 5 HE1 TYR 5 -1.829 12.142 -9.900 38 HE2 TYR 5 HE2 TYR 5 1.443 10.481 -7.724 39 HH TYR 5 HH TYR 5 1.548 12.145 -9.541 40 HB2 TYR 5 1HB TYR 5 -3.392 8.597 -6.859 41 HB3 TYR 5 2HB TYR 5 -2.029 7.485 -6.921 42 H ALA 6 H ALA 6 -5.842 6.702 -8.600 43 HA ALA 6 HA ALA 6 -5.830 4.615 -6.628 44 HB1 ALA 6 3HB ALA 6 -7.772 6.120 -6.955 45 HB2 ALA 6 1HB ALA 6 -8.229 4.422 -7.111 46 HB3 ALA 6 2HB ALA 6 -8.043 5.427 -8.552 47 H ILE 7 H ILE 7 -4.387 3.053 -7.428 48 HA ILE 7 HA ILE 7 -4.905 1.707 -9.956 49 HB ILE 7 HB ILE 7 -2.879 0.992 -7.781 50 HG12 ILE 7 1HG1 ILE 7 -2.629 2.700 -10.306 51 HG13 ILE 7 2HG1 ILE 7 -2.348 3.197 -8.648 52 HG21 ILE 7 1HG2 ILE 7 -3.068 0.010 -10.665 53 HG22 ILE 7 2HG2 ILE 7 -3.423 -0.942 -9.223 54 HG23 ILE 7 3HG2 ILE 7 -1.779 -0.385 -9.522 55 HD11 ILE 7 3HD1 ILE 7 -0.276 3.008 -9.840 56 HD12 ILE 7 1HD1 ILE 7 -0.627 1.335 -10.269 57 HD13 ILE 7 2HD1 ILE 7 -0.344 1.774 -8.585 58 H SER 8 H SER 8 -6.181 -0.004 -10.181 59 HA SER 8 HA SER 8 -7.489 -1.243 -7.865 60 HG SER 8 HG SER 8 -8.594 0.414 -9.166 61 HB2 SER 8 1HB SER 8 -8.014 -1.572 -10.852 62 HB3 SER 8 2HB SER 8 -9.027 -2.200 -9.546 63 H LEU 9 H LEU 9 -7.755 -3.629 -7.848 64 HA LEU 9 HA LEU 9 -5.187 -4.893 -7.904 65 HG LEU 9 HG LEU 9 -6.655 -7.934 -7.641 66 HB2 LEU 9 1HB LEU 9 -6.774 -5.309 -6.113 67 HB3 LEU 9 2HB LEU 9 -7.967 -5.920 -7.246 68 HD11 LEU 9 1HD1 LEU 9 -4.534 -6.741 -5.836 69 HD12 LEU 9 2HD1 LEU 9 -4.393 -7.066 -7.565 70 HD13 LEU 9 3HD1 LEU 9 -4.548 -8.404 -6.431 71 HD21 LEU 9 3HD2 LEU 9 -8.163 -7.956 -5.708 72 HD22 LEU 9 1HD2 LEU 9 -6.864 -7.361 -4.668 73 HD23 LEU 9 2HD2 LEU 9 -6.747 -8.959 -5.411 74 H GLU 10 H GLU 10 -7.893 -4.865 -10.061 75 HA GLU 10 HA GLU 10 -7.120 -7.205 -11.589 76 HB2 GLU 10 1HB GLU 10 -9.039 -6.408 -13.132 77 HB3 GLU 10 2HB GLU 10 -9.455 -6.989 -11.533 78 HG2 GLU 10 1HG GLU 10 -9.067 -4.035 -11.883 79 HG3 GLU 10 2HG GLU 10 -10.513 -4.761 -12.572 80 H GLU 11 H GLU 11 -5.826 -4.161 -11.477 81 HA GLU 11 HA GLU 11 -4.796 -4.368 -14.257 82 HB2 GLU 11 1HB GLU 11 -4.710 -1.884 -14.372 83 HB3 GLU 11 2HB GLU 11 -6.362 -2.472 -14.204 84 HG2 GLU 11 1HG GLU 11 -6.412 -1.860 -11.864 85 HG3 GLU 11 2HG GLU 11 -4.695 -1.469 -11.881 86 H VAL 12 H VAL 12 -3.979 -4.576 -11.047 87 HA VAL 12 HA VAL 12 -1.751 -2.753 -10.921 88 HB VAL 12 HB VAL 12 -3.181 -3.408 -8.931 89 HG11 VAL 12 1HG1 VAL 12 -3.290 -5.834 -9.292 90 HG12 VAL 12 2HG1 VAL 12 -2.682 -5.452 -7.683 91 HG13 VAL 12 3HG1 VAL 12 -1.565 -5.980 -8.944 92 HG21 VAL 12 3HG2 VAL 12 -0.175 -3.731 -8.599 93 HG22 VAL 12 1HG2 VAL 12 -1.319 -3.381 -7.297 94 HG23 VAL 12 2HG2 VAL 12 -1.081 -2.213 -8.597 95 H ASN 13 H ASN 13 0.459 -3.252 -10.772 96 HA ASN 13 HA ASN 13 1.351 -6.065 -11.060 97 HB2 ASN 13 1HB ASN 13 2.812 -3.694 -12.332 98 HB3 ASN 13 2HB ASN 13 3.196 -5.401 -12.516 99 HD21 ASN 13 2HD2 ASN 13 1.182 -2.778 -13.595 100 HD22 ASN 13 1HD2 ASN 13 0.465 -3.619 -14.925 101 H PHE 14 H PHE 14 1.627 -6.111 -8.752 102 HA PHE 14 HA PHE 14 2.707 -4.081 -7.150 103 HD1 PHE 14 HD2 PHE 14 1.433 -3.964 -5.074 104 HD2 PHE 14 HD1 PHE 14 0.535 -7.866 -6.531 105 HE1 PHE 14 HE2 PHE 14 -0.885 -3.732 -4.297 106 HE2 PHE 14 HE1 PHE 14 -1.783 -7.629 -5.758 107 HZ PHE 14 HZ PHE 14 -2.494 -5.558 -4.638 108 HB2 PHE 14 1HB PHE 14 2.747 -7.092 -6.694 109 HB3 PHE 14 2HB PHE 14 3.238 -5.923 -5.473 110 H ASN 15 H ASN 15 4.345 -6.590 -8.949 111 HA ASN 15 HA ASN 15 6.973 -6.341 -8.032 112 HB2 ASN 15 1HB ASN 15 7.588 -7.301 -10.307 113 HB3 ASN 15 2HB ASN 15 6.387 -8.219 -9.407 114 HD21 ASN 15 2HD2 ASN 15 4.254 -8.304 -10.184 115 HD22 ASN 15 1HD2 ASN 15 3.836 -7.799 -11.783 116 H ASP 16 H ASP 16 5.169 -4.323 -10.264 117 HA ASP 16 HA ASP 16 7.384 -2.959 -11.470 118 HB2 ASP 16 1HB ASP 16 5.125 -3.248 -12.564 119 HB3 ASP 16 2HB ASP 16 4.446 -2.145 -11.380 120 H PHE 17 H PHE 17 5.626 -2.528 -8.479 121 HA PHE 17 HA PHE 17 6.790 0.194 -8.113 122 HD1 PHE 17 HD2 PHE 17 4.612 1.473 -9.560 123 HD2 PHE 17 HD1 PHE 17 2.612 -1.751 -7.642 124 HE1 PHE 17 HE2 PHE 17 2.986 1.408 -11.391 125 HE2 PHE 17 HE1 PHE 17 0.976 -1.820 -9.481 126 HZ PHE 17 HZ PHE 17 1.170 -0.245 -11.359 127 HB2 PHE 17 1HB PHE 17 4.370 -0.634 -6.498 128 HB3 PHE 17 2HB PHE 17 4.866 0.957 -7.018 129 H ILE 18 H ILE 18 7.372 0.733 -5.876 130 HA ILE 18 HA ILE 18 8.233 -1.470 -4.158 131 HB ILE 18 HB ILE 18 8.398 1.551 -3.656 132 HG12 ILE 18 1HG1 ILE 18 10.641 -0.292 -4.642 133 HG13 ILE 18 2HG1 ILE 18 9.735 0.803 -5.680 134 HG21 ILE 18 1HG2 ILE 18 8.491 0.245 -1.572 135 HG22 ILE 18 2HG2 ILE 18 10.059 0.977 -1.904 136 HG23 ILE 18 3HG2 ILE 18 9.806 -0.741 -2.217 137 HD11 ILE 18 3HD1 ILE 18 11.894 1.725 -5.091 138 HD12 ILE 18 1HD1 ILE 18 11.506 1.616 -3.376 139 HD13 ILE 18 2HD1 ILE 18 10.600 2.717 -4.419 140 H VAL 19 H VAL 19 6.709 -2.349 -2.788 141 HA VAL 19 HA VAL 19 4.134 -0.940 -2.612 142 HB VAL 19 HB VAL 19 4.772 -3.809 -1.747 143 HG11 VAL 19 1HG1 VAL 19 2.350 -4.190 -2.076 144 HG12 VAL 19 2HG1 VAL 19 2.131 -2.486 -2.482 145 HG13 VAL 19 3HG1 VAL 19 2.652 -2.948 -0.861 146 HG21 VAL 19 3HG2 VAL 19 5.386 -3.561 -4.116 147 HG22 VAL 19 1HG2 VAL 19 3.798 -2.879 -4.480 148 HG23 VAL 19 2HG2 VAL 19 3.941 -4.558 -3.952 149 H VAL 20 H VAL 20 3.088 -0.520 -0.650 150 HA VAL 20 HA VAL 20 4.556 -0.901 1.888 151 HB VAL 20 HB VAL 20 3.109 1.629 0.955 152 HG11 VAL 20 1HG1 VAL 20 4.088 1.049 3.786 153 HG12 VAL 20 2HG1 VAL 20 2.408 1.211 3.275 154 HG13 VAL 20 3HG1 VAL 20 3.482 2.604 3.200 155 HG21 VAL 20 3HG2 VAL 20 5.246 2.756 1.428 156 HG22 VAL 20 1HG2 VAL 20 5.474 1.448 0.269 157 HG23 VAL 20 2HG2 VAL 20 5.964 1.229 1.951 158 H ASP 21 H ASP 21 3.393 -1.973 3.337 159 HA ASP 21 HA ASP 21 0.561 -2.551 2.948 160 HB2 ASP 21 1HB ASP 21 2.359 -4.230 3.766 161 HB3 ASP 21 2HB ASP 21 2.382 -3.348 5.287 162 H VAL 22 H VAL 22 -0.716 -0.737 3.452 163 HA VAL 22 HA VAL 22 -0.095 0.838 5.873 164 HB VAL 22 HB VAL 22 -1.882 2.466 5.027 165 HG11 VAL 22 1HG1 VAL 22 0.522 2.917 4.808 166 HG12 VAL 22 2HG1 VAL 22 -0.350 3.531 3.405 167 HG13 VAL 22 3HG1 VAL 22 0.577 2.033 3.282 168 HG21 VAL 22 3HG2 VAL 22 -1.605 0.844 2.449 169 HG22 VAL 22 1HG2 VAL 22 -2.477 2.374 2.622 170 HG23 VAL 22 2HG2 VAL 22 -3.050 0.928 3.462 171 H ARG 23 H ARG 23 -0.768 -0.659 7.401 172 HA ARG 23 HA ARG 23 -3.660 -0.725 7.882 173 HE ARG 23 HE ARG 23 -2.029 -4.737 5.366 174 HB2 ARG 23 1HB ARG 23 -2.068 -3.292 7.440 175 HB3 ARG 23 2HB ARG 23 -3.632 -3.256 8.244 176 HG2 ARG 23 1HG ARG 23 -4.644 -2.322 6.143 177 HG3 ARG 23 2HG ARG 23 -3.075 -2.485 5.349 178 HD2 ARG 23 1HD ARG 23 -4.698 -4.761 6.539 179 HD3 ARG 23 2HD ARG 23 -4.612 -4.350 4.825 180 HH11 ARG 23 1HH1 ARG 23 -4.745 -6.702 6.457 181 HH12 ARG 23 2HH1 ARG 23 -3.857 -8.184 6.314 182 HH21 ARG 23 1HH2 ARG 23 -0.917 -6.664 5.215 183 HH22 ARG 23 2HH2 ARG 23 -1.682 -8.160 5.640 184 H GLU 24 H GLU 24 -1.189 -2.895 9.236 185 HA GLU 24 HA GLU 24 -0.810 -1.631 11.735 186 HB2 GLU 24 1HB GLU 24 -3.423 -2.406 11.601 187 HB3 GLU 24 2HB GLU 24 -2.759 -3.955 12.074 188 HG2 GLU 24 1HG GLU 24 -2.438 -1.384 13.655 189 HG3 GLU 24 2HG GLU 24 -3.691 -2.579 13.953 190 H LEU 25 H LEU 25 0.403 -3.106 13.196 191 HA LEU 25 HA LEU 25 2.265 -4.762 11.995 192 HG LEU 25 HG LEU 25 2.628 -6.789 14.543 193 HB2 LEU 25 1HB LEU 25 2.619 -3.762 14.188 194 HB3 LEU 25 2HB LEU 25 1.301 -4.696 14.874 195 HD11 LEU 25 1HD1 LEU 25 4.882 -4.960 13.658 196 HD12 LEU 25 2HD1 LEU 25 4.026 -6.122 12.642 197 HD13 LEU 25 3HD1 LEU 25 5.017 -6.692 13.982 198 HD21 LEU 25 3HD2 LEU 25 2.699 -5.603 16.706 199 HD22 LEU 25 1HD2 LEU 25 4.092 -4.670 16.151 200 HD23 LEU 25 2HD2 LEU 25 4.222 -6.418 16.362 201 H ASP 26 H ASP 26 -0.559 -5.816 13.923 202 HA ASP 26 HA ASP 26 -0.312 -8.578 13.657 203 HB2 ASP 26 1HB ASP 26 -1.834 -7.667 15.277 204 HB3 ASP 26 2HB ASP 26 -2.732 -6.789 14.049 205 H GLU 27 H GLU 27 -2.060 -6.300 11.600 206 HA GLU 27 HA GLU 27 -3.240 -8.039 9.739 207 HB2 GLU 27 1HB GLU 27 -2.286 -5.159 9.519 208 HB3 GLU 27 2HB GLU 27 -3.194 -5.954 8.243 209 HG2 GLU 27 1HG GLU 27 -4.221 -5.583 11.069 210 HG3 GLU 27 2HG GLU 27 -4.549 -4.476 9.735 211 H TYR 28 H TYR 28 -0.115 -6.410 9.703 212 HA TYR 28 HA TYR 28 0.830 -7.257 7.170 213 HD1 TYR 28 HD2 TYR 28 3.265 -5.892 6.128 214 HD2 TYR 28 HD1 TYR 28 4.202 -7.122 10.118 215 HE1 TYR 28 HE2 TYR 28 5.623 -6.209 5.491 216 HE2 TYR 28 HE1 TYR 28 6.540 -7.431 9.473 217 HH TYR 28 HH TYR 28 7.919 -7.705 7.659 218 HB2 TYR 28 1HB TYR 28 1.778 -5.317 8.159 219 HB3 TYR 28 2HB TYR 28 2.087 -6.125 9.683 220 H GLU 29 H GLU 29 1.068 -8.624 10.414 221 HA GLU 29 HA GLU 29 3.069 -10.579 9.809 222 HB2 GLU 29 1HB GLU 29 1.188 -10.314 12.183 223 HB3 GLU 29 2HB GLU 29 2.485 -11.504 12.077 224 HG2 GLU 29 1HG GLU 29 4.158 -9.728 11.978 225 HG3 GLU 29 2HG GLU 29 2.898 -8.497 11.984 226 H GLU 30 H GLU 30 -0.492 -10.684 10.110 227 HA GLU 30 HA GLU 30 -0.734 -13.500 9.840 228 HB2 GLU 30 1HB GLU 30 -3.145 -13.083 9.340 229 HB3 GLU 30 2HB GLU 30 -2.586 -12.278 10.796 230 HG2 GLU 30 1HG GLU 30 -2.594 -10.147 9.746 231 HG3 GLU 30 2HG GLU 30 -2.789 -10.851 8.148 232 H LEU 31 H LEU 31 -0.733 -10.863 7.453 233 HA LEU 31 HA LEU 31 0.385 -12.557 5.455 234 HG LEU 31 HG LEU 31 -2.329 -10.413 3.856 235 HB2 LEU 31 1HB LEU 31 -1.268 -12.661 3.794 236 HB3 LEU 31 2HB LEU 31 -2.113 -13.111 5.262 237 HD11 LEU 31 1HD1 LEU 31 -4.297 -12.699 3.954 238 HD12 LEU 31 2HD1 LEU 31 -3.366 -12.168 2.552 239 HD13 LEU 31 3HD1 LEU 31 -4.591 -11.110 3.242 240 HD21 LEU 31 3HD2 LEU 31 -3.925 -11.419 6.226 241 HD22 LEU 31 1HD2 LEU 31 -4.187 -9.903 5.360 242 HD23 LEU 31 2HD2 LEU 31 -2.699 -10.150 6.271 243 H HIS 32 H HIS 32 1.312 -11.394 3.750 244 HA HIS 32 HA HIS 32 0.572 -8.715 3.065 245 HD1 HIS 32 HD1 HIS 32 3.240 -10.760 5.637 246 HD2 HIS 32 HD2 HIS 32 5.226 -7.815 3.485 247 HE1 HIS 32 HE1 HIS 32 5.648 -11.452 5.574 248 HE2 HIS 32 HE2 HIS 32 6.840 -9.577 4.429 249 HB2 HIS 32 1HB HIS 32 2.554 -7.491 3.759 250 HB3 HIS 32 2HB HIS 32 1.928 -8.309 5.190 251 H LEU 33 H LEU 33 2.103 -7.848 1.370 252 HA LEU 33 HA LEU 33 2.983 -9.913 -0.472 253 HG LEU 33 HG LEU 33 0.814 -8.171 -0.890 254 HB2 LEU 33 1HB LEU 33 3.064 -6.877 -0.527 255 HB3 LEU 33 2HB LEU 33 3.669 -7.869 -1.846 256 HD11 LEU 33 1HD1 LEU 33 1.772 -6.154 -2.933 257 HD12 LEU 33 2HD1 LEU 33 1.068 -5.797 -1.353 258 HD13 LEU 33 3HD1 LEU 33 0.087 -6.566 -2.597 259 HD21 LEU 33 3HD2 LEU 33 2.110 -8.706 -3.591 260 HD22 LEU 33 1HD2 LEU 33 0.417 -8.989 -3.175 261 HD23 LEU 33 2HD2 LEU 33 1.684 -9.928 -2.391 262 HA PRO 34 HA PRO 34 7.204 -10.058 1.006 263 HB2 PRO 34 1HB PRO 34 8.536 -11.007 -1.185 264 HB3 PRO 34 2HB PRO 34 7.387 -11.998 -0.276 265 HG2 PRO 34 1HG PRO 34 6.928 -10.439 -2.820 266 HG3 PRO 34 2HG PRO 34 6.488 -12.125 -2.451 267 HD2 PRO 34 1HD PRO 34 4.692 -10.094 -2.280 268 HD3 PRO 34 2HD PRO 34 4.631 -11.487 -1.176 269 H ASN 35 H ASN 35 6.212 -7.698 -1.153 270 HA ASN 35 HA ASN 35 8.780 -6.219 -1.007 271 HB2 ASN 35 1HB ASN 35 6.643 -6.042 -3.192 272 HB3 ASN 35 2HB ASN 35 8.102 -5.059 -3.114 273 HD21 ASN 35 2HD2 ASN 35 6.825 -8.245 -3.761 274 HD22 ASN 35 1HD2 ASN 35 8.251 -8.892 -4.496 275 H ALA 36 H ALA 36 6.151 -6.402 0.697 276 HA ALA 36 HA ALA 36 5.204 -3.614 0.581 277 HB1 ALA 36 3HB ALA 36 4.061 -5.966 2.125 278 HB2 ALA 36 1HB ALA 36 3.476 -5.369 0.571 279 HB3 ALA 36 2HB ALA 36 3.345 -4.356 2.010 280 H THR 37 H THR 37 6.031 -2.157 1.936 281 HA THR 37 HA THR 37 7.558 -2.871 4.320 282 HB THR 37 HB THR 37 6.943 -0.162 3.034 283 HG1 THR 37 HG1 THR 37 8.335 -1.802 1.921 284 HG21 THR 37 3HG2 THR 37 7.473 0.142 5.434 285 HG22 THR 37 1HG2 THR 37 8.796 0.733 4.427 286 HG23 THR 37 2HG2 THR 37 8.940 -0.823 5.246 287 H LEU 38 H LEU 38 6.628 -2.940 6.343 288 HA LEU 38 HA LEU 38 3.880 -2.323 6.770 289 HG LEU 38 HG LEU 38 4.415 -1.708 10.019 290 HB2 LEU 38 1HB LEU 38 4.868 -4.058 8.120 291 HB3 LEU 38 2HB LEU 38 6.103 -2.967 8.730 292 HD11 LEU 38 1HD1 LEU 38 2.074 -2.471 10.209 293 HD12 LEU 38 2HD1 LEU 38 2.354 -3.652 8.929 294 HD13 LEU 38 3HD1 LEU 38 2.458 -1.927 8.576 295 HD21 LEU 38 3HD2 LEU 38 5.501 -3.643 11.090 296 HD22 LEU 38 1HD2 LEU 38 4.182 -4.685 10.544 297 HD23 LEU 38 2HD2 LEU 38 3.868 -3.387 11.701 298 H ILE 39 H ILE 39 3.181 -0.335 6.733 299 HA ILE 39 HA ILE 39 4.059 1.522 8.838 300 HB ILE 39 HB ILE 39 3.397 2.341 5.953 301 HG12 ILE 39 1HG1 ILE 39 5.985 2.831 7.510 302 HG13 ILE 39 2HG1 ILE 39 5.769 1.533 6.350 303 HG21 ILE 39 1HG2 ILE 39 3.933 4.159 8.338 304 HG22 ILE 39 2HG2 ILE 39 2.379 3.930 7.536 305 HG23 ILE 39 3HG2 ILE 39 3.711 4.685 6.667 306 HD11 ILE 39 3HD1 ILE 39 7.002 3.333 5.359 307 HD12 ILE 39 1HD1 ILE 39 5.733 4.486 5.765 308 HD13 ILE 39 2HD1 ILE 39 5.426 3.220 4.576 309 H SER 40 H SER 40 2.211 2.449 9.844 310 HA SER 40 HA SER 40 -0.355 1.205 9.116 311 HG SER 40 HG SER 40 1.465 1.111 11.626 312 HB2 SER 40 1HB SER 40 0.258 3.028 11.479 313 HB3 SER 40 2HB SER 40 -1.193 2.049 11.243 314 H VAL 41 H VAL 41 -2.235 2.439 8.638 315 HA VAL 41 HA VAL 41 -2.036 4.749 7.080 316 HB VAL 41 HB VAL 41 -3.932 3.187 6.966 317 HG11 VAL 41 1HG1 VAL 41 -5.749 3.190 8.634 318 HG12 VAL 41 2HG1 VAL 41 -4.816 4.286 9.656 319 HG13 VAL 41 3HG1 VAL 41 -4.216 2.659 9.332 320 HG21 VAL 41 3HG2 VAL 41 -4.255 5.441 6.044 321 HG22 VAL 41 1HG2 VAL 41 -4.854 6.021 7.600 322 HG23 VAL 41 2HG2 VAL 41 -5.772 4.818 6.689 323 H ASN 42 H ASN 42 -2.161 4.477 10.568 324 HA ASN 42 HA ASN 42 -2.692 7.322 11.003 325 HB2 ASN 42 1HB ASN 42 -2.492 6.790 13.413 326 HB3 ASN 42 2HB ASN 42 -3.625 5.707 12.615 327 HD21 ASN 42 2HD2 ASN 42 -3.126 3.515 12.477 328 HD22 ASN 42 1HD2 ASN 42 -1.810 2.790 13.331 329 H ASP 43 H ASP 43 0.060 5.314 10.487 330 HA ASP 43 HA ASP 43 1.996 6.959 11.881 331 HB2 ASP 43 1HB ASP 43 2.374 4.667 9.908 332 HB3 ASP 43 2HB ASP 43 3.704 5.508 10.690 333 H GLN 44 H GLN 44 1.300 8.976 10.874 334 HA GLN 44 HA GLN 44 1.786 9.440 8.071 335 HB2 GLN 44 1HB GLN 44 0.790 11.073 10.379 336 HB3 GLN 44 2HB GLN 44 1.557 11.981 9.084 337 HG2 GLN 44 1HG GLN 44 -0.924 11.815 8.869 338 HG3 GLN 44 2HG GLN 44 -0.038 11.234 7.473 339 HE21 GLN 44 2HE2 GLN 44 -0.080 9.007 6.976 340 HE22 GLN 44 1HE2 GLN 44 -1.213 7.925 7.691 341 H GLU 45 H GLU 45 3.588 9.950 11.044 342 HA GLU 45 HA GLU 45 5.682 11.513 9.884 343 HB2 GLU 45 1HB GLU 45 6.927 10.737 12.106 344 HB3 GLU 45 2HB GLU 45 5.613 11.897 12.163 345 HG2 GLU 45 1HG GLU 45 5.331 10.347 13.970 346 HG3 GLU 45 2HG GLU 45 4.051 10.085 12.789 347 H LYS 46 H LYS 46 5.198 8.055 10.349 348 HA LYS 46 HA LYS 46 7.873 7.286 9.551 349 HB2 LYS 46 1HB LYS 46 6.589 5.913 11.143 350 HB3 LYS 46 2HB LYS 46 5.335 5.654 9.944 351 HG2 LYS 46 1HG LYS 46 6.629 3.646 10.136 352 HG3 LYS 46 2HG LYS 46 6.959 4.356 8.563 353 HD2 LYS 46 1HD LYS 46 8.850 4.966 10.842 354 HD3 LYS 46 2HD LYS 46 8.918 3.371 10.100 355 HE2 LYS 46 1HE LYS 46 9.327 4.428 7.895 356 HE3 LYS 46 2HE LYS 46 9.297 6.018 8.658 357 HZ1 LYS 46 3HZ LYS 46 11.185 5.274 10.042 358 HZ2 LYS 46 1HZ LYS 46 11.545 5.333 8.389 359 HZ3 LYS 46 2HZ LYS 46 11.254 3.845 9.139 360 H LEU 47 H LEU 47 4.686 7.533 8.037 361 HA LEU 47 HA LEU 47 5.370 6.214 5.591 362 HG LEU 47 HG LEU 47 3.214 7.760 3.687 363 HB2 LEU 47 1HB LEU 47 3.050 6.534 6.468 364 HB3 LEU 47 2HB LEU 47 3.167 8.233 6.083 365 HD11 LEU 47 1HD1 LEU 47 4.515 5.673 3.645 366 HD12 LEU 47 2HD1 LEU 47 3.002 5.480 2.765 367 HD13 LEU 47 3HD1 LEU 47 3.171 4.798 4.385 368 HD21 LEU 47 3HD2 LEU 47 1.031 6.156 5.060 369 HD22 LEU 47 1HD2 LEU 47 0.974 6.805 3.419 370 HD23 LEU 47 2HD2 LEU 47 1.018 7.903 4.793 371 H ALA 48 H ALA 48 5.084 9.613 6.527 372 HA ALA 48 HA ALA 48 5.937 10.785 4.106 373 HB1 ALA 48 3HB ALA 48 4.691 12.005 5.832 374 HB2 ALA 48 1HB ALA 48 6.195 12.837 5.420 375 HB3 ALA 48 2HB ALA 48 6.076 11.908 6.919 376 H ASP 49 H ASP 49 7.722 9.616 6.953 377 HA ASP 49 HA ASP 49 10.298 10.575 6.327 378 HB2 ASP 49 1HB ASP 49 9.829 9.590 8.517 379 HB3 ASP 49 2HB ASP 49 9.437 8.036 7.787 380 H PHE 50 H PHE 50 8.711 7.492 5.494 381 HA PHE 50 HA PHE 50 10.762 6.282 3.999 382 HD1 PHE 50 HD1 PHE 50 10.458 3.420 4.074 383 HD2 PHE 50 HD2 PHE 50 7.536 5.094 1.430 384 HE1 PHE 50 HE1 PHE 50 10.827 1.578 2.481 385 HE2 PHE 50 HE2 PHE 50 7.918 3.250 -0.145 386 HZ PHE 50 HZ PHE 50 9.562 1.494 0.370 387 HB2 PHE 50 1HB PHE 50 8.740 5.108 4.876 388 HB3 PHE 50 2HB PHE 50 7.742 5.949 3.701 389 H LEU 51 H LEU 51 8.234 8.546 3.068 390 HA LEU 51 HA LEU 51 8.801 8.464 0.229 391 HG LEU 51 HG LEU 51 6.145 8.134 2.034 392 HB2 LEU 51 1HB LEU 51 7.099 10.424 1.808 393 HB3 LEU 51 2HB LEU 51 7.111 10.242 0.060 394 HD11 LEU 51 1HD1 LEU 51 4.554 9.950 0.213 395 HD12 LEU 51 2HD1 LEU 51 4.643 10.042 1.973 396 HD13 LEU 51 3HD1 LEU 51 3.896 8.645 1.205 397 HD21 LEU 51 3HD2 LEU 51 7.025 7.070 0.011 398 HD22 LEU 51 1HD2 LEU 51 6.009 8.105 -0.997 399 HD23 LEU 51 2HD2 LEU 51 5.272 6.919 0.083 400 H SER 52 H SER 52 9.896 10.324 2.970 401 HA SER 52 HA SER 52 10.983 12.524 1.433 402 HG SER 52 HG SER 52 12.282 13.792 4.558 403 HB2 SER 52 1HB SER 52 10.148 12.870 3.748 404 HB3 SER 52 2HB SER 52 11.421 11.818 4.362 405 H GLN 53 H GLN 53 12.100 9.379 2.421 406 HA GLN 53 HA GLN 53 14.903 9.709 2.404 407 HB2 GLN 53 1HB GLN 53 13.297 7.280 1.482 408 HB3 GLN 53 2HB GLN 53 15.014 7.270 1.862 409 HG2 GLN 53 1HG GLN 53 12.730 7.728 3.793 410 HG3 GLN 53 2HG GLN 53 13.764 6.309 3.694 411 HE21 GLN 53 2HE2 GLN 53 13.249 8.096 5.968 412 HE22 GLN 53 1HE2 GLN 53 14.791 8.685 6.473 413 H HIS 54 H HIS 54 12.593 9.234 -0.149 414 HA HIS 54 HA HIS 54 14.068 10.621 -2.140 415 HD1 HIS 54 HD1 HIS 54 16.281 7.220 -1.661 416 HD2 HIS 54 HD2 HIS 54 15.874 10.041 -4.689 417 HE1 HIS 54 HE1 HIS 54 18.607 7.702 -2.461 418 HE2 HIS 54 HE2 HIS 54 18.336 9.371 -4.330 419 HB2 HIS 54 1HB HIS 54 13.860 7.597 -2.344 420 HB3 HIS 54 2HB HIS 54 13.577 8.519 -3.818 421 H LYS 55 H LYS 55 12.394 11.897 -2.714 422 HA LYS 55 HA LYS 55 9.632 11.043 -2.652 423 HB2 LYS 55 1HB LYS 55 10.893 13.564 -3.819 424 HB3 LYS 55 2HB LYS 55 9.157 13.283 -3.696 425 HG2 LYS 55 1HG LYS 55 9.363 13.153 -1.224 426 HG3 LYS 55 2HG LYS 55 11.092 13.472 -1.366 427 HD2 LYS 55 1HD LYS 55 9.899 15.525 -0.764 428 HD3 LYS 55 2HD LYS 55 10.613 15.679 -2.370 429 HE2 LYS 55 1HE LYS 55 8.413 15.241 -3.398 430 HE3 LYS 55 2HE LYS 55 7.697 15.041 -1.798 431 HZ1 LYS 55 3HZ LYS 55 7.272 17.232 -2.686 432 HZ2 LYS 55 1HZ LYS 55 8.930 17.531 -2.843 433 HZ3 LYS 55 2HZ LYS 55 8.246 17.336 -1.309 434 H ASP 56 H ASP 56 12.120 11.431 -5.113 435 HA ASP 56 HA ASP 56 10.427 10.707 -7.341 436 HB2 ASP 56 1HB ASP 56 13.416 11.161 -7.019 437 HB3 ASP 56 2HB ASP 56 12.770 10.461 -8.502 438 H LYS 57 H LYS 57 9.547 8.804 -6.369 439 HA LYS 57 HA LYS 57 10.763 6.502 -7.573 440 HB2 LYS 57 1HB LYS 57 11.074 5.083 -5.732 441 HB3 LYS 57 2HB LYS 57 11.706 6.607 -5.147 442 HG2 LYS 57 1HG LYS 57 9.048 5.340 -4.436 443 HG3 LYS 57 2HG LYS 57 10.467 5.489 -3.398 444 HD2 LYS 57 1HD LYS 57 10.191 8.019 -3.625 445 HD3 LYS 57 2HD LYS 57 8.626 7.695 -4.366 446 HE2 LYS 57 1HE LYS 57 8.368 8.185 -1.987 447 HE3 LYS 57 2HE LYS 57 7.909 6.516 -2.316 448 HZ1 LYS 57 3HZ LYS 57 10.106 5.816 -1.512 449 HZ2 LYS 57 1HZ LYS 57 9.254 6.666 -0.323 450 HZ3 LYS 57 2HZ LYS 57 10.499 7.422 -1.175 451 H LYS 58 H LYS 58 9.188 4.595 -7.397 452 HA LYS 58 HA LYS 58 6.398 5.597 -7.533 453 HB2 LYS 58 1HB LYS 58 7.567 4.652 -9.610 454 HB3 LYS 58 2HB LYS 58 7.459 3.068 -8.827 455 HG2 LYS 58 1HG LYS 58 5.097 3.063 -8.907 456 HG3 LYS 58 2HG LYS 58 5.006 4.798 -9.215 457 HD2 LYS 58 1HD LYS 58 4.497 3.482 -11.240 458 HD3 LYS 58 2HD LYS 58 5.922 4.500 -11.443 459 HE2 LYS 58 1HE LYS 58 7.394 2.569 -11.140 460 HE3 LYS 58 2HE LYS 58 6.008 1.528 -10.805 461 HZ1 LYS 58 3HZ LYS 58 6.854 1.330 -13.086 462 HZ2 LYS 58 1HZ LYS 58 6.459 2.950 -13.369 463 HZ3 LYS 58 2HZ LYS 58 5.240 1.824 -13.033 464 H VAL 59 H VAL 59 5.624 5.247 -5.484 465 HA VAL 59 HA VAL 59 5.869 2.526 -4.319 466 HB VAL 59 HB VAL 59 5.771 5.244 -2.959 467 HG11 VAL 59 1HG1 VAL 59 5.504 4.130 -0.755 468 HG12 VAL 59 2HG1 VAL 59 5.202 2.592 -1.573 469 HG13 VAL 59 3HG1 VAL 59 4.074 3.932 -1.766 470 HG21 VAL 59 3HG2 VAL 59 7.751 4.398 -1.777 471 HG22 VAL 59 1HG2 VAL 59 7.968 4.257 -3.519 472 HG23 VAL 59 2HG2 VAL 59 7.580 2.826 -2.566 473 H LEU 60 H LEU 60 4.119 1.458 -3.643 474 HA LEU 60 HA LEU 60 1.447 2.565 -4.306 475 HG LEU 60 HG LEU 60 -0.079 -0.036 -4.157 476 HB2 LEU 60 1HB LEU 60 2.293 0.805 -5.871 477 HB3 LEU 60 2HB LEU 60 2.442 -0.302 -4.515 478 HD11 LEU 60 1HD1 LEU 60 -0.403 2.054 -5.376 479 HD12 LEU 60 2HD1 LEU 60 -1.412 0.777 -6.050 480 HD13 LEU 60 3HD1 LEU 60 0.061 1.269 -6.888 481 HD21 LEU 60 3HD2 LEU 60 0.808 -1.251 -6.789 482 HD22 LEU 60 1HD2 LEU 60 -0.676 -1.627 -5.911 483 HD23 LEU 60 2HD2 LEU 60 0.888 -2.034 -5.211 484 H LEU 61 H LEU 61 0.488 3.007 -2.387 485 HA LEU 61 HA LEU 61 0.893 1.477 0.043 486 HG LEU 61 HG LEU 61 1.273 3.750 1.444 487 HB2 LEU 61 1HB LEU 61 -0.892 3.828 -0.704 488 HB3 LEU 61 2HB LEU 61 -1.015 3.047 0.861 489 HD11 LEU 61 1HD1 LEU 61 2.566 5.291 0.022 490 HD12 LEU 61 2HD1 LEU 61 1.390 5.076 -1.278 491 HD13 LEU 61 3HD1 LEU 61 2.365 3.711 -0.731 492 HD21 LEU 61 3HD2 LEU 61 0.891 6.182 1.583 493 HD22 LEU 61 1HD2 LEU 61 -0.569 5.276 1.972 494 HD23 LEU 61 2HD2 LEU 61 -0.409 6.054 0.396 495 H HIS 62 H HIS 62 0.044 -0.626 -0.201 496 HA HIS 62 HA HIS 62 -2.618 -0.980 -1.384 497 HD1 HIS 62 HD1 HIS 62 -2.554 -4.867 0.168 498 HD2 HIS 62 HD2 HIS 62 1.209 -3.144 0.387 499 HE1 HIS 62 HE1 HIS 62 -1.299 -6.202 1.881 500 HE2 HIS 62 HE2 HIS 62 0.845 -4.948 2.189 501 HB2 HIS 62 1HB HIS 62 -2.105 -3.233 -1.727 502 HB3 HIS 62 2HB HIS 62 -0.509 -2.511 -1.834 503 H CYS 63 H CYS 63 -4.424 -1.647 -0.290 504 HA CYS 63 HA CYS 63 -4.224 -2.025 2.663 505 HG CYS 63 HG CYS 63 -6.167 -0.801 4.537 506 HB2 CYS 63 1HB CYS 63 -5.198 0.174 2.177 507 HB3 CYS 63 2HB CYS 63 -6.411 -0.564 1.137 508 H ARG 64 H ARG 64 -5.835 -3.313 3.634 509 HA ARG 64 HA ARG 64 -6.468 -5.769 2.485 510 HE ARG 64 HE ARG 64 -9.925 -7.945 5.935 511 HB2 ARG 64 1HB ARG 64 -6.319 -5.448 4.877 512 HB3 ARG 64 2HB ARG 64 -7.666 -4.322 4.869 513 HG2 ARG 64 1HG ARG 64 -9.247 -6.091 4.445 514 HG3 ARG 64 2HG ARG 64 -7.953 -7.253 4.126 515 HD2 ARG 64 1HD ARG 64 -7.227 -7.178 6.427 516 HD3 ARG 64 2HD ARG 64 -8.334 -5.857 6.792 517 HH11 ARG 64 1HH1 ARG 64 -7.537 -7.556 8.502 518 HH12 ARG 64 2HH1 ARG 64 -8.395 -8.580 9.612 519 HH21 ARG 64 1HH2 ARG 64 -11.035 -9.292 7.435 520 HH22 ARG 64 2HH2 ARG 64 -10.364 -9.535 9.018 521 H ALA 65 H ALA 65 -8.384 -2.814 2.588 522 HA ALA 65 HA ALA 65 -10.395 -4.068 0.788 523 HB1 ALA 65 3HB ALA 65 -11.398 -3.355 2.938 524 HB2 ALA 65 1HB ALA 65 -12.014 -2.390 1.594 525 HB3 ALA 65 2HB ALA 65 -10.803 -1.716 2.683 526 H GLY 66 H GLY 66 -9.084 -0.836 1.625 527 HA2 GLY 66 1HA GLY 66 -7.629 -0.070 -0.456 528 HA3 GLY 66 2HA GLY 66 -9.229 0.027 -1.180 529 H ARG 67 H ARG 67 -10.084 0.782 1.770 530 HA ARG 67 HA ARG 67 -10.227 3.567 1.220 531 HE ARG 67 HE ARG 67 -10.933 6.556 4.084 532 HB2 ARG 67 1HB ARG 67 -12.054 2.451 2.409 533 HB3 ARG 67 2HB ARG 67 -10.978 2.038 3.739 534 HG2 ARG 67 1HG ARG 67 -12.419 3.940 4.328 535 HG3 ARG 67 2HG ARG 67 -10.719 4.402 4.318 536 HD2 ARG 67 1HD ARG 67 -11.362 5.102 1.763 537 HD3 ARG 67 2HD ARG 67 -12.941 5.304 2.527 538 HH11 ARG 67 1HH1 ARG 67 -12.781 7.059 1.129 539 HH12 ARG 67 2HH1 ARG 67 -12.475 8.767 1.101 540 HH21 ARG 67 1HH2 ARG 67 -10.513 8.765 3.995 541 HH22 ARG 67 2HH2 ARG 67 -11.189 9.733 2.721 542 H ARG 68 H ARG 68 -8.261 1.656 3.526 543 HA ARG 68 HA ARG 68 -7.036 3.940 4.785 544 HE ARG 68 HE ARG 68 -9.358 1.235 8.012 545 HB2 ARG 68 1HB ARG 68 -5.885 1.115 4.665 546 HB3 ARG 68 2HB ARG 68 -5.499 2.378 5.836 547 HG2 ARG 68 1HG ARG 68 -8.143 0.939 5.543 548 HG3 ARG 68 2HG ARG 68 -6.967 0.715 6.832 549 HD2 ARG 68 1HD ARG 68 -7.422 2.858 7.768 550 HD3 ARG 68 2HD ARG 68 -8.268 3.410 6.319 551 HH11 ARG 68 1HH1 ARG 68 -9.774 4.363 6.468 552 HH12 ARG 68 2HH1 ARG 68 -11.453 4.477 6.877 553 HH21 ARG 68 1HH2 ARG 68 -11.582 1.392 8.516 554 HH22 ARG 68 2HH2 ARG 68 -12.479 2.793 8.025 555 H ALA 69 H ALA 69 -6.339 2.059 1.953 556 HA ALA 69 HA ALA 69 -3.755 2.952 1.280 557 HB1 ALA 69 3HB ALA 69 -4.936 1.108 0.113 558 HB2 ALA 69 1HB ALA 69 -4.360 2.324 -1.024 559 HB3 ALA 69 2HB ALA 69 -6.066 2.268 -0.584 560 H LEU 70 H LEU 70 -6.964 4.209 0.420 561 HA LEU 70 HA LEU 70 -6.163 6.554 -0.918 562 HG LEU 70 HG LEU 70 -8.862 8.263 0.132 563 HB2 LEU 70 1HB LEU 70 -8.378 5.561 -1.192 564 HB3 LEU 70 2HB LEU 70 -8.758 5.835 0.500 565 HD11 LEU 70 1HD1 LEU 70 -8.133 7.698 -2.758 566 HD12 LEU 70 2HD1 LEU 70 -7.129 8.536 -1.571 567 HD13 LEU 70 3HD1 LEU 70 -8.643 9.258 -2.109 568 HD21 LEU 70 3HD2 LEU 70 -10.465 6.767 -1.976 569 HD22 LEU 70 1HD2 LEU 70 -10.830 8.373 -1.337 570 HD23 LEU 70 2HD2 LEU 70 -10.919 6.966 -0.281 571 H ASP 71 H ASP 71 -7.248 6.076 2.457 572 HA ASP 71 HA ASP 71 -7.266 8.634 3.476 573 HB2 ASP 71 1HB ASP 71 -6.689 5.931 4.734 574 HB3 ASP 71 2HB ASP 71 -6.569 7.367 5.721 575 H ALA 72 H ALA 72 -4.578 6.332 3.619 576 HA ALA 72 HA ALA 72 -2.707 8.028 4.896 577 HB1 ALA 72 3HB ALA 72 -2.600 5.563 4.961 578 HB2 ALA 72 1HB ALA 72 -1.087 6.257 4.375 579 HB3 ALA 72 2HB ALA 72 -2.217 5.526 3.239 580 H ALA 73 H ALA 73 -3.306 7.236 1.473 581 HA ALA 73 HA ALA 73 -1.021 8.561 0.411 582 HB1 ALA 73 3HB ALA 73 -2.185 6.761 -0.800 583 HB2 ALA 73 1HB ALA 73 -2.058 8.225 -1.780 584 HB3 ALA 73 2HB ALA 73 -3.592 7.804 -1.011 585 H LYS 74 H LYS 74 -4.374 9.674 1.011 586 HA LYS 74 HA LYS 74 -4.199 12.145 -0.403 587 HB2 LYS 74 1HB LYS 74 -5.942 11.573 2.041 588 HB3 LYS 74 2HB LYS 74 -6.118 12.935 0.940 589 HG2 LYS 74 1HG LYS 74 -6.461 11.073 -0.883 590 HG3 LYS 74 2HG LYS 74 -6.778 10.035 0.498 591 HD2 LYS 74 1HD LYS 74 -8.927 10.739 -0.093 592 HD3 LYS 74 2HD LYS 74 -8.514 11.870 1.195 593 HE2 LYS 74 1HE LYS 74 -7.851 13.543 -0.547 594 HE3 LYS 74 2HE LYS 74 -8.359 12.400 -1.798 595 HZ1 LYS 74 3HZ LYS 74 -10.606 12.503 -0.919 596 HZ2 LYS 74 1HZ LYS 74 -10.054 14.047 -1.344 597 HZ3 LYS 74 2HZ LYS 74 -10.120 13.590 0.283 598 H SER 75 H SER 75 -3.772 11.350 3.039 599 HA SER 75 HA SER 75 -3.007 13.789 4.067 600 HG SER 75 HG SER 75 -3.811 10.755 5.819 601 HB2 SER 75 1HB SER 75 -1.953 11.034 4.852 602 HB3 SER 75 2HB SER 75 -1.885 12.483 5.865 603 H MET 76 H MET 76 -0.974 11.410 2.380 604 HA MET 76 HA MET 76 1.512 12.788 2.774 605 HB2 MET 76 1HB MET 76 0.712 10.594 0.831 606 HB3 MET 76 2HB MET 76 2.364 11.182 1.043 607 HG2 MET 76 1HG MET 76 0.659 9.866 3.160 608 HG3 MET 76 2HG MET 76 2.022 9.147 2.302 609 HE1 MET 76 3HE MET 76 0.889 11.261 5.297 610 HE2 MET 76 1HE MET 76 2.372 11.083 6.236 611 HE3 MET 76 2HE MET 76 1.532 9.652 5.641 612 H HIS 77 H HIS 77 -0.791 12.642 0.051 613 HA HIS 77 HA HIS 77 0.582 14.329 -1.733 614 HD1 HIS 77 HD1 HIS 77 -1.381 14.118 -4.817 615 HD2 HIS 77 HD2 HIS 77 -0.868 10.998 -2.142 616 HE1 HIS 77 HE1 HIS 77 -0.934 12.102 -6.226 617 HE2 HIS 77 HE2 HIS 77 -0.493 10.257 -4.578 618 HB2 HIS 77 1HB HIS 77 -2.303 13.545 -1.405 619 HB3 HIS 77 2HB HIS 77 -1.911 14.838 -2.522 620 H GLU 78 H GLU 78 -1.383 15.042 1.082 621 HA GLU 78 HA GLU 78 -1.564 17.891 0.696 622 HB2 GLU 78 1HB GLU 78 -1.944 16.273 3.254 623 HB3 GLU 78 2HB GLU 78 -2.466 17.936 2.991 624 HG2 GLU 78 1HG GLU 78 -4.024 17.130 1.222 625 HG3 GLU 78 2HG GLU 78 -3.507 15.494 1.545 626 H LEU 79 H LEU 79 0.807 15.719 2.049 627 HA LEU 79 HA LEU 79 2.381 17.862 3.307 628 HG LEU 79 HG LEU 79 1.182 14.926 4.392 629 HB2 LEU 79 1HB LEU 79 3.138 14.932 2.983 630 HB3 LEU 79 2HB LEU 79 3.934 16.116 4.009 631 HD11 LEU 79 1HD1 LEU 79 2.089 13.998 6.479 632 HD12 LEU 79 2HD1 LEU 79 3.677 14.662 6.086 633 HD13 LEU 79 3HD1 LEU 79 2.960 13.414 5.062 634 HD21 LEU 79 3HD2 LEU 79 2.489 17.092 6.073 635 HD22 LEU 79 1HD2 LEU 79 1.009 16.224 6.496 636 HD23 LEU 79 2HD2 LEU 79 1.044 17.263 5.075 637 H GLY 80 H GLY 80 1.894 17.147 0.209 638 HA2 GLY 80 1HA GLY 80 2.974 18.182 -1.566 639 HA3 GLY 80 2HA GLY 80 4.428 18.352 -0.602 640 H TYR 81 H TYR 81 3.350 15.164 -0.354 641 HA TYR 81 HA TYR 81 5.276 14.169 -2.354 642 HD1 TYR 81 HD1 TYR 81 7.217 13.027 -0.899 643 HD2 TYR 81 HD2 TYR 81 3.897 13.336 1.773 644 HE1 TYR 81 HE1 TYR 81 8.746 13.520 0.960 645 HE2 TYR 81 HE2 TYR 81 5.435 13.823 3.622 646 HH TYR 81 HH TYR 81 8.707 14.593 3.139 647 HB2 TYR 81 1HB TYR 81 3.510 12.590 -0.428 648 HB3 TYR 81 2HB TYR 81 4.858 11.956 -1.370 649 H THR 82 H THR 82 4.478 12.163 -3.657 650 HA THR 82 HA THR 82 1.635 12.232 -4.405 651 HB THR 82 HB THR 82 2.396 12.019 -6.901 652 HG1 THR 82 HG1 THR 82 4.445 12.231 -7.297 653 HG21 THR 82 3HG2 THR 82 2.471 14.453 -7.286 654 HG22 THR 82 1HG2 THR 82 2.752 14.726 -5.566 655 HG23 THR 82 2HG2 THR 82 1.221 14.040 -6.111 656 HA PRO 83 HA PRO 83 3.274 7.791 -4.313 657 HB2 PRO 83 1HB PRO 83 2.009 6.839 -2.113 658 HB3 PRO 83 2HB PRO 83 3.555 7.692 -1.987 659 HG2 PRO 83 1HG PRO 83 0.762 8.772 -1.567 660 HG3 PRO 83 2HG PRO 83 2.198 8.957 -0.534 661 HD2 PRO 83 1HD PRO 83 1.426 10.890 -2.291 662 HD3 PRO 83 2HD PRO 83 3.131 10.597 -1.896 663 H TYR 84 H TYR 84 2.063 6.032 -5.026 664 HA TYR 84 HA TYR 84 -0.719 6.434 -5.858 665 HD1 TYR 84 HD2 TYR 84 -0.774 6.018 -8.841 666 HD2 TYR 84 HD1 TYR 84 3.118 5.395 -7.178 667 HE1 TYR 84 HE2 TYR 84 0.214 7.329 -10.665 668 HE2 TYR 84 HE1 TYR 84 4.102 6.721 -9.009 669 HH TYR 84 HH TYR 84 3.527 7.393 -11.322 670 HB2 TYR 84 1HB TYR 84 1.195 4.096 -6.356 671 HB3 TYR 84 2HB TYR 84 -0.399 4.285 -7.088 672 H TYR 85 H TYR 85 -2.141 4.341 -5.562 673 HA TYR 85 HA TYR 85 -1.659 2.894 -3.092 674 HD1 TYR 85 HD2 TYR 85 -3.075 6.652 -4.077 675 HD2 TYR 85 HD1 TYR 85 -5.960 3.783 -2.771 676 HE1 TYR 85 HE2 TYR 85 -4.865 7.991 -5.069 677 HE2 TYR 85 HE1 TYR 85 -7.752 5.132 -3.775 678 HH TYR 85 HH TYR 85 -7.171 7.630 -5.952 679 HB2 TYR 85 1HB TYR 85 -3.692 3.660 -1.941 680 HB3 TYR 85 2HB TYR 85 -2.579 4.985 -2.209 681 H LEU 86 H LEU 86 -2.860 1.060 -2.898 682 HA LEU 86 HA LEU 86 -4.244 0.146 -5.324 683 HG LEU 86 HG LEU 86 -2.660 -3.268 -4.929 684 HB2 LEU 86 1HB LEU 86 -2.133 -1.000 -4.676 685 HB3 LEU 86 2HB LEU 86 -2.837 -1.445 -3.142 686 HD11 LEU 86 1HD1 LEU 86 -4.061 -3.625 -2.969 687 HD12 LEU 86 2HD1 LEU 86 -4.754 -4.382 -4.401 688 HD13 LEU 86 3HD1 LEU 86 -5.428 -2.868 -3.792 689 HD21 LEU 86 3HD2 LEU 86 -4.346 -3.399 -6.667 690 HD22 LEU 86 1HD2 LEU 86 -3.361 -1.951 -6.857 691 HD23 LEU 86 2HD2 LEU 86 -4.993 -1.828 -6.192 692 H GLU 87 H GLU 87 -6.327 0.137 -5.166 693 HA GLU 87 HA GLU 87 -7.730 -0.604 -2.682 694 HB2 GLU 87 1HB GLU 87 -8.791 0.489 -5.330 695 HB3 GLU 87 2HB GLU 87 -9.766 0.148 -3.898 696 HG2 GLU 87 1HG GLU 87 -8.484 1.852 -2.632 697 HG3 GLU 87 2HG GLU 87 -7.537 2.201 -4.076 698 H GLY 88 H GLY 88 -7.832 -2.724 -2.453 699 HA2 GLY 88 1HA GLY 88 -9.239 -4.514 -4.066 700 HA3 GLY 88 2HA GLY 88 -7.535 -4.686 -4.479 701 H ASN 89 H ASN 89 -9.435 -6.543 -3.061 702 HA ASN 89 HA ASN 89 -8.898 -6.628 -0.292 703 HB2 ASN 89 1HB ASN 89 -9.898 -8.741 -2.229 704 HB3 ASN 89 2HB ASN 89 -9.621 -9.123 -0.534 705 HD21 ASN 89 2HD2 ASN 89 -11.794 -9.572 -0.194 706 HD22 ASN 89 1HD2 ASN 89 -12.994 -8.335 -0.099 707 H VAL 90 H VAL 90 -7.219 -7.311 0.854 708 HA VAL 90 HA VAL 90 -4.715 -7.820 -0.307 709 HB VAL 90 HB VAL 90 -5.040 -6.763 1.927 710 HG11 VAL 90 1HG1 VAL 90 -5.382 -8.148 3.948 711 HG12 VAL 90 2HG1 VAL 90 -5.652 -9.561 2.925 712 HG13 VAL 90 3HG1 VAL 90 -6.769 -8.201 2.858 713 HG21 VAL 90 3HG2 VAL 90 -3.082 -7.782 3.063 714 HG22 VAL 90 1HG2 VAL 90 -2.804 -7.552 1.334 715 HG23 VAL 90 2HG2 VAL 90 -3.170 -9.159 1.961 716 H TYR 91 H TYR 91 -7.191 -10.018 0.776 717 HA TYR 91 HA TYR 91 -5.597 -12.408 0.871 718 HD1 TYR 91 HD2 TYR 91 -6.561 -13.667 3.349 719 HD2 TYR 91 HD1 TYR 91 -8.980 -10.291 2.333 720 HE1 TYR 91 HE2 TYR 91 -6.601 -12.987 5.707 721 HE2 TYR 91 HE1 TYR 91 -9.000 -9.605 4.695 722 HH TYR 91 HH TYR 91 -6.921 -10.990 7.033 723 HB2 TYR 91 1HB TYR 91 -8.627 -12.070 0.692 724 HB3 TYR 91 2HB TYR 91 -7.785 -13.551 1.139 725 H ASP 92 H ASP 92 -7.241 -10.648 -1.620 726 HA ASP 92 HA ASP 92 -7.604 -12.859 -3.459 727 HB2 ASP 92 1HB ASP 92 -8.246 -9.915 -3.520 728 HB3 ASP 92 2HB ASP 92 -8.205 -10.781 -5.046 729 H PHE 93 H PHE 93 -4.927 -10.890 -2.724 730 HA PHE 93 HA PHE 93 -3.820 -10.327 -5.237 731 HD1 PHE 93 HD1 PHE 93 -4.591 -8.614 -4.229 732 HD2 PHE 93 HD2 PHE 93 -1.276 -8.886 -1.556 733 HE1 PHE 93 HE1 PHE 93 -5.109 -6.377 -3.366 734 HE2 PHE 93 HE2 PHE 93 -1.803 -6.653 -0.701 735 HZ PHE 93 HZ PHE 93 -3.711 -5.388 -1.595 736 HB2 PHE 93 1HB PHE 93 -2.341 -10.951 -2.658 737 HB3 PHE 93 2HB PHE 93 -1.614 -10.206 -4.075 738 H GLU 94 H GLU 94 -3.548 -13.249 -3.248 739 HA GLU 94 HA GLU 94 -1.581 -14.612 -4.728 740 HB2 GLU 94 1HB GLU 94 -3.750 -15.649 -2.876 741 HB3 GLU 94 2HB GLU 94 -2.488 -16.678 -3.552 742 HG2 GLU 94 1HG GLU 94 -0.803 -15.121 -2.460 743 HG3 GLU 94 2HG GLU 94 -2.162 -14.361 -1.632 744 H LYS 95 H LYS 95 -5.152 -14.728 -4.999 745 HA LYS 95 HA LYS 95 -5.116 -16.722 -7.090 746 HB2 LYS 95 1HB LYS 95 -7.587 -16.254 -7.279 747 HB3 LYS 95 2HB LYS 95 -7.058 -16.717 -5.667 748 HG2 LYS 95 1HG LYS 95 -7.101 -14.357 -4.976 749 HG3 LYS 95 2HG LYS 95 -7.649 -13.892 -6.582 750 HD2 LYS 95 1HD LYS 95 -9.228 -15.801 -4.817 751 HD3 LYS 95 2HD LYS 95 -9.421 -14.053 -4.720 752 HE2 LYS 95 1HE LYS 95 -11.174 -14.846 -6.119 753 HE3 LYS 95 2HE LYS 95 -10.003 -14.084 -7.192 754 HZ1 LYS 95 3HZ LYS 95 -10.849 -16.184 -8.058 755 HZ2 LYS 95 1HZ LYS 95 -10.250 -17.006 -6.708 756 HZ3 LYS 95 2HZ LYS 95 -9.183 -16.267 -7.795 757 H TYR 96 H TYR 96 -4.950 -13.224 -7.024 758 HA TYR 96 HA TYR 96 -5.340 -12.936 -9.901 759 HD1 TYR 96 HD2 TYR 96 -7.044 -12.231 -7.256 760 HD2 TYR 96 HD1 TYR 96 -6.189 -9.199 -10.145 761 HE1 TYR 96 HE2 TYR 96 -9.398 -11.534 -7.219 762 HE2 TYR 96 HE1 TYR 96 -8.552 -8.514 -10.112 763 HH TYR 96 HH TYR 96 -10.747 -9.565 -7.715 764 HB2 TYR 96 1HB TYR 96 -4.535 -11.004 -7.703 765 HB3 TYR 96 2HB TYR 96 -4.400 -10.545 -9.398 766 H GLY 97 H GLY 97 -2.770 -13.998 -7.921 767 HA2 GLY 97 1HA GLY 97 -1.221 -15.386 -9.223 768 HA3 GLY 97 2HA GLY 97 -1.045 -14.064 -10.364 769 H PHE 98 H PHE 98 -1.124 -12.539 -7.525 770 HA PHE 98 HA PHE 98 1.775 -12.185 -7.411 771 HD1 PHE 98 HD2 PHE 98 2.032 -9.403 -8.335 772 HD2 PHE 98 HD1 PHE 98 -2.082 -10.286 -7.558 773 HE1 PHE 98 HE2 PHE 98 1.378 -8.150 -10.348 774 HE2 PHE 98 HE1 PHE 98 -2.724 -9.035 -9.583 775 HZ PHE 98 HZ PHE 98 -0.996 -7.967 -10.973 776 HB2 PHE 98 1HB PHE 98 -0.411 -10.722 -5.859 777 HB3 PHE 98 2HB PHE 98 1.261 -10.208 -6.077 778 H ARG 99 H ARG 99 2.848 -13.611 -6.124 779 HA ARG 99 HA ARG 99 1.683 -15.140 -4.057 780 HE ARG 99 HE ARG 99 7.220 -12.886 -4.172 781 HB2 ARG 99 1HB ARG 99 3.801 -16.080 -3.609 782 HB3 ARG 99 2HB ARG 99 3.875 -15.687 -5.315 783 HG2 ARG 99 1HG ARG 99 5.179 -14.134 -3.048 784 HG3 ARG 99 2HG ARG 99 5.999 -15.165 -4.219 785 HD2 ARG 99 1HD ARG 99 5.087 -13.605 -6.005 786 HD3 ARG 99 2HD ARG 99 4.629 -12.520 -4.702 787 HH11 ARG 99 1HH1 ARG 99 5.701 -12.204 -7.268 788 HH12 ARG 99 2HH1 ARG 99 7.009 -11.199 -7.816 789 HH21 ARG 99 1HH2 ARG 99 8.911 -11.545 -4.905 790 HH22 ARG 99 2HH2 ARG 99 8.820 -10.831 -6.487 791 H MET 100 H MET 100 2.231 -15.135 -1.813 792 HA MET 100 HA MET 100 2.776 -12.543 -0.560 793 HB2 MET 100 1HB MET 100 0.165 -14.066 -0.140 794 HB3 MET 100 2HB MET 100 0.689 -12.690 0.821 795 HG2 MET 100 1HG MET 100 0.573 -11.253 -1.193 796 HG3 MET 100 2HG MET 100 0.017 -12.639 -2.135 797 HE1 MET 100 3HE MET 100 -0.931 -11.815 1.589 798 HE2 MET 100 1HE MET 100 -2.321 -10.762 1.341 799 HE3 MET 100 2HE MET 100 -0.720 -10.242 0.814 800 H VAL 101 H VAL 101 3.312 -12.672 1.605 801 HA VAL 101 HA VAL 101 4.168 -15.309 2.591 802 HB VAL 101 HB VAL 101 5.075 -12.540 3.507 803 HG11 VAL 101 1HG1 VAL 101 6.955 -13.745 4.597 804 HG12 VAL 101 2HG1 VAL 101 6.241 -15.285 4.113 805 HG13 VAL 101 3HG1 VAL 101 5.388 -14.235 5.245 806 HG21 VAL 101 3HG2 VAL 101 5.738 -12.887 1.164 807 HG22 VAL 101 1HG2 VAL 101 6.485 -14.432 1.582 808 HG23 VAL 101 2HG2 VAL 101 7.154 -12.925 2.215 809 H TYR 102 H TYR 102 2.569 -16.135 3.801 810 HA TYR 102 HA TYR 102 1.032 -14.519 5.715 811 HD1 TYR 102 HD2 TYR 102 0.583 -15.222 2.759 812 HD2 TYR 102 HD1 TYR 102 -2.405 -16.689 5.448 813 HE1 TYR 102 HE2 TYR 102 -1.179 -14.441 1.244 814 HE2 TYR 102 HE1 TYR 102 -4.167 -15.899 3.918 815 HH TYR 102 HH TYR 102 -3.504 -14.914 0.716 816 HB2 TYR 102 1HB TYR 102 0.773 -17.400 4.744 817 HB3 TYR 102 2HB TYR 102 -0.141 -16.800 6.120 818 H ASP 103 H ASP 103 1.433 -14.542 7.841 819 HA ASP 103 HA ASP 103 2.360 -14.815 9.853 820 HB2 ASP 103 1HB ASP 103 1.415 -17.159 9.620 821 HB3 ASP 103 2HB ASP 103 3.009 -17.690 9.105 822 H ASP 104 H ASP 104 3.957 -13.316 9.329 823 HA ASP 104 HA ASP 104 6.707 -14.461 9.284 824 HB2 ASP 104 1HB ASP 104 7.493 -12.440 8.215 825 HB3 ASP 104 2HB ASP 104 6.136 -13.045 7.275 826 H THR 105 H THR 105 4.587 -13.671 11.432 827 HA THR 105 HA THR 105 5.588 -11.630 13.065 828 HB THR 105 HB THR 105 3.382 -12.548 13.457 829 HG1 THR 105 HG1 THR 105 4.476 -11.676 15.278 830 HG21 THR 105 3HG2 THR 105 3.740 -14.906 12.860 831 HG22 THR 105 1HG2 THR 105 3.010 -14.777 14.461 832 HG23 THR 105 2HG2 THR 105 4.729 -15.138 14.304 833 H CYS 106 H CYS 106 6.572 -14.973 12.718 834 HA CYS 106 HA CYS 106 9.206 -14.335 13.751 835 HG CYS 106 HG CYS 106 9.822 -17.874 15.460 836 HB2 CYS 106 1HB CYS 106 7.981 -15.165 15.782 837 HB3 CYS 106 2HB CYS 106 7.620 -16.667 14.935 838 H ASP 107 H ASP 107 7.363 -17.315 13.071 839 HA ASP 107 HA ASP 107 8.142 -17.659 10.388 840 HB2 ASP 107 1HB ASP 107 9.614 -19.672 10.613 841 HB3 ASP 107 2HB ASP 107 10.373 -18.229 11.268 842 H LYS 108 H LYS 108 7.229 -19.613 9.494 843 HA LYS 108 HA LYS 108 4.757 -20.322 10.896 844 HB2 LYS 108 1HB LYS 108 4.077 -21.208 8.623 845 HB3 LYS 108 2HB LYS 108 4.436 -19.489 8.680 846 HG2 LYS 108 1HG LYS 108 6.748 -20.040 7.777 847 HG3 LYS 108 2HG LYS 108 6.172 -21.686 7.515 848 HD2 LYS 108 1HD LYS 108 4.969 -19.179 6.266 849 HD3 LYS 108 2HD LYS 108 6.060 -20.299 5.449 850 HE2 LYS 108 1HE LYS 108 3.299 -20.986 6.511 851 HE3 LYS 108 2HE LYS 108 3.710 -20.698 4.821 852 HZ1 LYS 108 3HZ LYS 108 4.709 -22.907 6.532 853 HZ2 LYS 108 1HZ LYS 108 5.238 -22.601 4.954 854 HZ3 LYS 108 2HZ LYS 108 3.631 -23.033 5.235 855 H LYS 109 H LYS 109 7.272 -21.538 11.781 856 HA LYS 109 HA LYS 109 6.549 -24.405 11.521 857 HB2 LYS 109 1HB LYS 109 9.215 -23.227 12.421 858 HB3 LYS 109 2HB LYS 109 8.861 -24.937 12.191 859 HG2 LYS 109 1HG LYS 109 8.681 -24.614 9.787 860 HG3 LYS 109 2HG LYS 109 8.880 -22.872 9.968 861 HD2 LYS 109 1HD LYS 109 11.000 -24.920 10.743 862 HD3 LYS 109 2HD LYS 109 10.954 -24.091 9.191 863 HE2 LYS 109 1HE LYS 109 12.555 -22.927 10.522 864 HE3 LYS 109 2HE LYS 109 11.128 -21.899 10.480 865 HZ1 LYS 109 3HZ LYS 109 11.778 -23.729 12.730 866 HZ2 LYS 109 1HZ LYS 109 10.581 -22.531 12.700 867 HZ3 LYS 109 2HZ LYS 109 12.216 -22.100 12.688 868 H ASN 110 H ASN 110 6.625 -25.633 13.532 869 HA ASN 110 HA ASN 110 6.631 -24.052 16.050 870 HB2 ASN 110 1HB ASN 110 4.940 -26.512 15.384 871 HB3 ASN 110 2HB ASN 110 5.081 -25.821 16.996 872 HD21 ASN 110 2HD2 ASN 110 5.041 -23.018 15.914 873 HD22 ASN 110 1HD2 ASN 110 3.394 -22.730 15.492 Start of MODEL 2 1 HA MET 1 HA MET 1 -6.749 14.537 -8.009 2 H1 MET 1 1H MET 1 -4.218 15.188 -6.642 3 H2 MET 1 2H MET 1 -5.699 14.836 -5.918 4 H3 MET 1 3H MET 1 -5.524 16.244 -6.832 5 HB2 MET 1 1HB MET 1 -4.010 15.230 -9.164 6 HB3 MET 1 2HB MET 1 -5.371 14.638 -10.111 7 HG2 MET 1 1HG MET 1 -6.665 16.654 -9.495 8 HG3 MET 1 2HG MET 1 -5.284 17.253 -8.578 9 HE1 MET 1 3HE MET 1 -2.658 17.898 -11.452 10 HE2 MET 1 1HE MET 1 -2.820 16.397 -10.540 11 HE3 MET 1 2HE MET 1 -2.952 17.952 -9.714 12 H LEU 2 H LEU 2 -5.758 12.939 -5.921 13 HA LEU 2 HA LEU 2 -4.036 10.883 -7.067 14 HG LEU 2 HG LEU 2 -6.012 9.594 -4.224 15 HB2 LEU 2 1HB LEU 2 -3.630 10.065 -4.969 16 HB3 LEU 2 2HB LEU 2 -3.905 11.758 -4.623 17 HD11 LEU 2 1HD1 LEU 2 -4.071 9.156 -2.794 18 HD12 LEU 2 2HD1 LEU 2 -5.472 9.649 -1.850 19 HD13 LEU 2 3HD1 LEU 2 -4.164 10.798 -2.147 20 HD21 LEU 2 3HD2 LEU 2 -5.906 12.447 -3.202 21 HD22 LEU 2 1HD2 LEU 2 -7.148 11.253 -2.815 22 HD23 LEU 2 2HD2 LEU 2 -6.970 11.832 -4.470 23 H GLU 3 H GLU 3 -7.465 11.312 -6.852 24 HA GLU 3 HA GLU 3 -8.162 8.546 -6.794 25 HB2 GLU 3 1HB GLU 3 -10.372 9.128 -7.661 26 HB3 GLU 3 2HB GLU 3 -9.913 10.180 -6.336 27 HG2 GLU 3 1HG GLU 3 -9.590 11.046 -9.211 28 HG3 GLU 3 2HG GLU 3 -11.130 11.197 -8.375 29 H ASP 4 H ASP 4 -6.759 10.532 -9.212 30 HA ASP 4 HA ASP 4 -7.044 8.818 -11.491 31 HB2 ASP 4 1HB ASP 4 -6.321 11.159 -11.698 32 HB3 ASP 4 2HB ASP 4 -4.895 10.843 -10.718 33 H TYR 5 H TYR 5 -4.773 9.002 -8.787 34 HA TYR 5 HA TYR 5 -2.975 6.898 -9.628 35 HD1 TYR 5 HD2 TYR 5 -3.130 10.045 -9.390 36 HD2 TYR 5 HD1 TYR 5 -0.051 8.199 -7.065 37 HE1 TYR 5 HE2 TYR 5 -1.540 11.781 -10.103 38 HE2 TYR 5 HE1 TYR 5 1.529 9.937 -7.774 39 HH TYR 5 HH TYR 5 1.827 11.518 -9.606 40 HB2 TYR 5 1HB TYR 5 -3.342 8.340 -6.959 41 HB3 TYR 5 2HB TYR 5 -2.121 7.103 -7.219 42 H ALA 6 H ALA 6 -6.121 6.708 -8.690 43 HA ALA 6 HA ALA 6 -6.139 4.603 -6.756 44 HB1 ALA 6 3HB ALA 6 -8.040 6.161 -7.040 45 HB2 ALA 6 1HB ALA 6 -8.553 4.481 -7.224 46 HB3 ALA 6 2HB ALA 6 -8.344 5.506 -8.648 47 H ILE 7 H ILE 7 -4.723 3.029 -7.612 48 HA ILE 7 HA ILE 7 -5.262 1.767 -10.173 49 HB ILE 7 HB ILE 7 -3.251 0.957 -8.019 50 HG12 ILE 7 1HG1 ILE 7 -2.929 2.781 -10.459 51 HG13 ILE 7 2HG1 ILE 7 -2.730 3.229 -8.774 52 HG21 ILE 7 1HG2 ILE 7 -3.773 -0.880 -9.590 53 HG22 ILE 7 2HG2 ILE 7 -2.121 -0.307 -9.822 54 HG23 ILE 7 3HG2 ILE 7 -3.387 0.164 -10.962 55 HD11 ILE 7 3HD1 ILE 7 -0.927 1.433 -10.390 56 HD12 ILE 7 1HD1 ILE 7 -0.737 1.763 -8.666 57 HD13 ILE 7 2HD1 ILE 7 -0.593 3.072 -9.835 58 H SER 8 H SER 8 -6.568 0.081 -10.454 59 HA SER 8 HA SER 8 -7.939 -1.231 -8.265 60 HG SER 8 HG SER 8 -8.743 0.301 -10.939 61 HB2 SER 8 1HB SER 8 -8.037 -1.770 -11.266 62 HB3 SER 8 2HB SER 8 -9.186 -2.353 -10.066 63 H LEU 9 H LEU 9 -7.902 -3.563 -7.902 64 HA LEU 9 HA LEU 9 -5.323 -4.749 -7.906 65 HG LEU 9 HG LEU 9 -6.571 -7.874 -7.770 66 HB2 LEU 9 1HB LEU 9 -6.966 -5.297 -6.192 67 HB3 LEU 9 2HB LEU 9 -8.060 -5.966 -7.389 68 HD11 LEU 9 1HD1 LEU 9 -4.663 -6.623 -5.770 69 HD12 LEU 9 2HD1 LEU 9 -4.387 -6.815 -7.503 70 HD13 LEU 9 3HD1 LEU 9 -4.514 -8.238 -6.472 71 HD21 LEU 9 3HD2 LEU 9 -7.004 -7.417 -4.797 72 HD22 LEU 9 1HD2 LEU 9 -6.716 -8.978 -5.575 73 HD23 LEU 9 2HD2 LEU 9 -8.186 -8.076 -5.931 74 H GLU 10 H GLU 10 -8.003 -4.962 -10.140 75 HA GLU 10 HA GLU 10 -7.148 -7.278 -11.591 76 HB2 GLU 10 1HB GLU 10 -8.948 -6.686 -13.157 77 HB3 GLU 10 2HB GLU 10 -9.502 -6.569 -11.491 78 HG2 GLU 10 1HG GLU 10 -9.138 -4.079 -11.610 79 HG3 GLU 10 2HG GLU 10 -8.766 -4.264 -13.323 80 H GLU 11 H GLU 11 -5.900 -4.099 -11.608 81 HA GLU 11 HA GLU 11 -4.743 -4.426 -14.332 82 HB2 GLU 11 1HB GLU 11 -4.733 -1.974 -14.564 83 HB3 GLU 11 2HB GLU 11 -6.368 -2.559 -14.275 84 HG2 GLU 11 1HG GLU 11 -6.317 -1.820 -11.988 85 HG3 GLU 11 2HG GLU 11 -4.608 -1.441 -12.074 86 H VAL 12 H VAL 12 -3.955 -4.432 -11.069 87 HA VAL 12 HA VAL 12 -1.696 -2.634 -11.099 88 HB VAL 12 HB VAL 12 -3.147 -3.031 -9.070 89 HG11 VAL 12 1HG1 VAL 12 -1.627 -5.646 -8.798 90 HG12 VAL 12 2HG1 VAL 12 -3.343 -5.475 -9.160 91 HG13 VAL 12 3HG1 VAL 12 -2.720 -4.946 -7.599 92 HG21 VAL 12 3HG2 VAL 12 -1.297 -2.883 -7.427 93 HG22 VAL 12 1HG2 VAL 12 -1.006 -1.879 -8.848 94 HG23 VAL 12 2HG2 VAL 12 -0.157 -3.417 -8.665 95 H ASN 13 H ASN 13 0.485 -3.139 -10.864 96 HA ASN 13 HA ASN 13 1.384 -5.956 -10.980 97 HB2 ASN 13 1HB ASN 13 2.639 -3.635 -12.534 98 HB3 ASN 13 2HB ASN 13 3.257 -5.279 -12.479 99 HD21 ASN 13 2HD2 ASN 13 0.765 -3.191 -13.771 100 HD22 ASN 13 1HD2 ASN 13 0.191 -4.293 -14.972 101 H PHE 14 H PHE 14 1.890 -5.988 -8.773 102 HA PHE 14 HA PHE 14 2.777 -3.795 -7.261 103 HD1 PHE 14 HD1 PHE 14 1.503 -3.678 -5.206 104 HD2 PHE 14 HD2 PHE 14 0.868 -7.693 -6.482 105 HE1 PHE 14 HE1 PHE 14 -0.827 -3.556 -4.441 106 HE2 PHE 14 HE2 PHE 14 -1.469 -7.568 -5.718 107 HZ PHE 14 HZ PHE 14 -2.320 -5.496 -4.700 108 HB2 PHE 14 1HB PHE 14 3.024 -6.777 -6.693 109 HB3 PHE 14 2HB PHE 14 3.440 -5.536 -5.515 110 H ASN 15 H ASN 15 4.626 -6.151 -9.081 111 HA ASN 15 HA ASN 15 7.218 -5.600 -8.059 112 HB2 ASN 15 1HB ASN 15 6.335 -6.736 -10.741 113 HB3 ASN 15 2HB ASN 15 8.017 -6.674 -10.207 114 HD21 ASN 15 2HD2 ASN 15 6.143 -8.947 -10.783 115 HD22 ASN 15 1HD2 ASN 15 6.240 -9.952 -9.382 116 H ASP 16 H ASP 16 5.245 -3.952 -10.406 117 HA ASP 16 HA ASP 16 7.263 -2.461 -11.745 118 HB2 ASP 16 1HB ASP 16 4.994 -2.814 -12.705 119 HB3 ASP 16 2HB ASP 16 4.290 -1.854 -11.417 120 H PHE 17 H PHE 17 5.693 -2.051 -8.646 121 HA PHE 17 HA PHE 17 6.882 0.669 -8.328 122 HD1 PHE 17 HD1 PHE 17 4.239 2.322 -9.293 123 HD2 PHE 17 HD2 PHE 17 3.105 -1.583 -8.033 124 HE1 PHE 17 HE1 PHE 17 2.542 2.262 -11.043 125 HE2 PHE 17 HE2 PHE 17 1.395 -1.648 -9.799 126 HZ PHE 17 HZ PHE 17 1.120 0.260 -11.316 127 HB2 PHE 17 1HB PHE 17 4.526 -0.145 -6.606 128 HB3 PHE 17 2HB PHE 17 5.017 1.446 -7.137 129 H ILE 18 H ILE 18 7.256 1.162 -5.914 130 HA ILE 18 HA ILE 18 8.089 -1.204 -4.352 131 HB ILE 18 HB ILE 18 8.617 1.753 -3.762 132 HG12 ILE 18 1HG1 ILE 18 10.538 -0.355 -4.884 133 HG13 ILE 18 2HG1 ILE 18 9.855 0.986 -5.796 134 HG21 ILE 18 1HG2 ILE 18 9.720 -0.748 -2.403 135 HG22 ILE 18 2HG2 ILE 18 8.555 0.385 -1.712 136 HG23 ILE 18 3HG2 ILE 18 10.204 0.914 -2.041 137 HD11 ILE 18 3HD1 ILE 18 11.783 1.182 -3.485 138 HD12 ILE 18 1HD1 ILE 18 11.057 2.560 -4.320 139 HD13 ILE 18 2HD1 ILE 18 12.127 1.462 -5.190 140 H VAL 19 H VAL 19 6.518 -1.988 -3.083 141 HA VAL 19 HA VAL 19 4.065 -0.418 -2.797 142 HB VAL 19 HB VAL 19 4.616 -3.378 -2.246 143 HG11 VAL 19 1HG1 VAL 19 2.604 -2.612 -1.051 144 HG12 VAL 19 2HG1 VAL 19 2.175 -3.707 -2.365 145 HG13 VAL 19 3HG1 VAL 19 1.938 -1.967 -2.553 146 HG21 VAL 19 3HG2 VAL 19 3.423 -2.065 -4.722 147 HG22 VAL 19 1HG2 VAL 19 3.550 -3.805 -4.440 148 HG23 VAL 19 2HG2 VAL 19 5.010 -2.830 -4.607 149 H VAL 20 H VAL 20 2.954 -0.259 -0.800 150 HA VAL 20 HA VAL 20 4.492 -0.649 1.682 151 HB VAL 20 HB VAL 20 2.849 1.810 0.898 152 HG11 VAL 20 1HG1 VAL 20 4.019 1.171 3.640 153 HG12 VAL 20 2HG1 VAL 20 2.306 1.245 3.226 154 HG13 VAL 20 3HG1 VAL 20 3.285 2.708 3.163 155 HG21 VAL 20 3HG2 VAL 20 5.179 1.820 0.083 156 HG22 VAL 20 1HG2 VAL 20 5.771 1.568 1.728 157 HG23 VAL 20 2HG2 VAL 20 4.928 3.061 1.308 158 H ASP 21 H ASP 21 3.435 -1.888 3.037 159 HA ASP 21 HA ASP 21 0.619 -2.512 2.876 160 HB2 ASP 21 1HB ASP 21 2.585 -4.029 3.713 161 HB3 ASP 21 2HB ASP 21 2.543 -3.087 5.197 162 H VAL 22 H VAL 22 -0.706 -0.694 3.377 163 HA VAL 22 HA VAL 22 -0.100 0.802 5.881 164 HB VAL 22 HB VAL 22 -1.928 2.448 5.041 165 HG11 VAL 22 1HG1 VAL 22 -0.324 3.694 3.620 166 HG12 VAL 22 2HG1 VAL 22 0.664 2.243 3.447 167 HG13 VAL 22 3HG1 VAL 22 0.481 2.999 5.029 168 HG21 VAL 22 3HG2 VAL 22 -2.365 2.512 2.618 169 HG22 VAL 22 1HG2 VAL 22 -2.902 0.970 3.295 170 HG23 VAL 22 2HG2 VAL 22 -1.393 1.056 2.377 171 H ARG 23 H ARG 23 -0.828 -0.905 7.204 172 HA ARG 23 HA ARG 23 -3.739 -0.915 7.609 173 HE ARG 23 HE ARG 23 -1.677 -4.732 5.081 174 HB2 ARG 23 1HB ARG 23 -2.195 -3.537 7.248 175 HB3 ARG 23 2HB ARG 23 -3.869 -3.394 7.761 176 HG2 ARG 23 1HG ARG 23 -4.510 -2.471 5.571 177 HG3 ARG 23 2HG ARG 23 -2.826 -2.502 5.043 178 HD2 ARG 23 1HD ARG 23 -4.537 -4.911 5.738 179 HD3 ARG 23 2HD ARG 23 -4.068 -4.390 4.117 180 HH11 ARG 23 1HH1 ARG 23 -4.443 -6.784 5.841 181 HH12 ARG 23 2HH1 ARG 23 -3.458 -8.197 6.049 182 HH21 ARG 23 1HH2 ARG 23 -0.447 -6.546 5.404 183 HH22 ARG 23 2HH2 ARG 23 -1.192 -8.055 5.830 184 H GLU 24 H GLU 24 -1.241 -3.118 8.892 185 HA GLU 24 HA GLU 24 -0.949 -1.879 11.430 186 HB2 GLU 24 1HB GLU 24 -3.469 -3.015 11.204 187 HB3 GLU 24 2HB GLU 24 -2.583 -4.406 11.799 188 HG2 GLU 24 1HG GLU 24 -2.701 -1.714 13.191 189 HG3 GLU 24 2HG GLU 24 -3.752 -3.072 13.563 190 H LEU 25 H LEU 25 0.476 -3.133 12.791 191 HA LEU 25 HA LEU 25 2.385 -4.811 11.701 192 HG LEU 25 HG LEU 25 2.668 -6.671 14.485 193 HB2 LEU 25 1HB LEU 25 2.753 -3.697 13.822 194 HB3 LEU 25 2HB LEU 25 1.400 -4.529 14.566 195 HD11 LEU 25 1HD1 LEU 25 4.943 -5.021 13.347 196 HD12 LEU 25 2HD1 LEU 25 4.062 -6.311 12.526 197 HD13 LEU 25 3HD1 LEU 25 5.072 -6.685 13.918 198 HD21 LEU 25 3HD2 LEU 25 4.313 -6.144 16.234 199 HD22 LEU 25 1HD2 LEU 25 2.811 -5.266 16.509 200 HD23 LEU 25 2HD2 LEU 25 4.213 -4.428 15.839 201 H ASP 26 H ASP 26 -0.492 -5.740 13.619 202 HA ASP 26 HA ASP 26 -0.147 -8.515 13.575 203 HB2 ASP 26 1HB ASP 26 -1.744 -7.319 15.057 204 HB3 ASP 26 2HB ASP 26 -2.766 -6.966 13.670 205 H GLU 27 H GLU 27 -1.921 -6.410 11.325 206 HA GLU 27 HA GLU 27 -2.928 -8.430 9.624 207 HB2 GLU 27 1HB GLU 27 -2.443 -5.469 9.191 208 HB3 GLU 27 2HB GLU 27 -3.111 -6.499 7.932 209 HG2 GLU 27 1HG GLU 27 -4.870 -7.142 9.772 210 HG3 GLU 27 2HG GLU 27 -4.356 -5.634 10.524 211 H TYR 28 H TYR 28 0.090 -6.623 9.579 212 HA TYR 28 HA TYR 28 1.176 -7.505 7.124 213 HD1 TYR 28 HD1 TYR 28 4.029 -7.814 10.467 214 HD2 TYR 28 HD2 TYR 28 4.141 -6.156 6.527 215 HE1 TYR 28 HE1 TYR 28 6.409 -8.379 10.293 216 HE2 TYR 28 HE2 TYR 28 6.529 -6.733 6.363 217 HH TYR 28 HH TYR 28 8.068 -8.840 8.466 218 HB2 TYR 28 1HB TYR 28 2.253 -5.654 8.065 219 HB3 TYR 28 2HB TYR 28 2.229 -6.314 9.685 220 H GLU 29 H GLU 29 1.175 -8.906 10.363 221 HA GLU 29 HA GLU 29 3.207 -10.861 9.946 222 HB2 GLU 29 1HB GLU 29 1.030 -10.807 12.080 223 HB3 GLU 29 2HB GLU 29 2.467 -11.813 12.104 224 HG2 GLU 29 1HG GLU 29 3.893 -9.825 12.252 225 HG3 GLU 29 2HG GLU 29 2.478 -8.789 12.168 226 H GLU 30 H GLU 30 -0.348 -11.094 10.074 227 HA GLU 30 HA GLU 30 -0.559 -13.860 9.610 228 HB2 GLU 30 1HB GLU 30 -2.961 -13.282 8.867 229 HB3 GLU 30 2HB GLU 30 -2.487 -12.817 10.492 230 HG2 GLU 30 1HG GLU 30 -2.065 -10.509 9.673 231 HG3 GLU 30 2HG GLU 30 -2.658 -10.992 8.090 232 H LEU 31 H LEU 31 -0.702 -11.151 7.255 233 HA LEU 31 HA LEU 31 0.643 -12.677 5.255 234 HG LEU 31 HG LEU 31 -2.373 -10.834 3.841 235 HB2 LEU 31 1HB LEU 31 -0.989 -12.923 3.554 236 HB3 LEU 31 2HB LEU 31 -1.722 -13.578 5.005 237 HD11 LEU 31 1HD1 LEU 31 -3.106 -12.602 2.319 238 HD12 LEU 31 2HD1 LEU 31 -4.486 -11.807 3.070 239 HD13 LEU 31 3HD1 LEU 31 -3.973 -13.400 3.635 240 HD21 LEU 31 3HD2 LEU 31 -3.777 -12.372 6.049 241 HD22 LEU 31 1HD2 LEU 31 -4.310 -10.838 5.354 242 HD23 LEU 31 2HD2 LEU 31 -2.797 -10.918 6.253 243 H HIS 32 H HIS 32 1.609 -11.344 3.754 244 HA HIS 32 HA HIS 32 0.510 -8.786 2.998 245 HD1 HIS 32 HD1 HIS 32 3.354 -10.576 5.510 246 HD2 HIS 32 HD2 HIS 32 4.942 -7.191 3.689 247 HE1 HIS 32 HE1 HIS 32 5.848 -10.882 5.535 248 HE2 HIS 32 HE2 HIS 32 6.779 -8.751 4.611 249 HB2 HIS 32 1HB HIS 32 2.237 -7.321 3.834 250 HB3 HIS 32 2HB HIS 32 1.709 -8.283 5.213 251 H LEU 33 H LEU 33 1.784 -7.813 1.262 252 HA LEU 33 HA LEU 33 2.986 -9.675 -0.536 253 HG LEU 33 HG LEU 33 0.692 -8.036 -0.879 254 HB2 LEU 33 1HB LEU 33 2.859 -6.641 -0.504 255 HB3 LEU 33 2HB LEU 33 3.510 -7.552 -1.856 256 HD11 LEU 33 1HD1 LEU 33 -0.137 -6.446 -2.560 257 HD12 LEU 33 2HD1 LEU 33 1.520 -5.950 -2.915 258 HD13 LEU 33 3HD1 LEU 33 0.824 -5.640 -1.323 259 HD21 LEU 33 3HD2 LEU 33 0.315 -8.838 -3.174 260 HD22 LEU 33 1HD2 LEU 33 1.622 -9.729 -2.398 261 HD23 LEU 33 2HD2 LEU 33 1.992 -8.480 -3.590 262 HA PRO 34 HA PRO 34 7.265 -9.356 0.920 263 HB2 PRO 34 1HB PRO 34 8.600 -10.267 -1.289 264 HB3 PRO 34 2HB PRO 34 7.638 -11.341 -0.264 265 HG2 PRO 34 1HG PRO 34 6.877 -10.047 -2.875 266 HG3 PRO 34 2HG PRO 34 6.637 -11.729 -2.351 267 HD2 PRO 34 1HD PRO 34 4.657 -9.850 -2.247 268 HD3 PRO 34 2HD PRO 34 4.746 -11.188 -1.085 269 H ASN 35 H ASN 35 5.967 -7.657 -1.779 270 HA ASN 35 HA ASN 35 8.155 -5.801 -2.227 271 HB2 ASN 35 1HB ASN 35 5.269 -5.631 -3.219 272 HB3 ASN 35 2HB ASN 35 6.678 -4.822 -3.902 273 HD21 ASN 35 2HD2 ASN 35 8.225 -6.117 -4.996 274 HD22 ASN 35 1HD2 ASN 35 7.780 -7.621 -5.714 275 H ALA 36 H ALA 36 5.705 -6.117 0.058 276 HA ALA 36 HA ALA 36 4.922 -3.309 0.262 277 HB1 ALA 36 3HB ALA 36 3.171 -5.022 0.334 278 HB2 ALA 36 1HB ALA 36 3.199 -4.085 1.830 279 HB3 ALA 36 2HB ALA 36 3.887 -5.714 1.788 280 H THR 37 H THR 37 5.713 -1.926 1.665 281 HA THR 37 HA THR 37 7.513 -2.654 3.845 282 HB THR 37 HB THR 37 6.580 0.053 2.759 283 HG1 THR 37 HG1 THR 37 7.870 -1.088 1.290 284 HG21 THR 37 3HG2 THR 37 8.465 1.045 4.016 285 HG22 THR 37 1HG2 THR 37 8.822 -0.522 4.743 286 HG23 THR 37 2HG2 THR 37 7.303 0.298 5.110 287 H LEU 38 H LEU 38 6.776 -2.879 5.956 288 HA LEU 38 HA LEU 38 4.037 -2.527 6.654 289 HG LEU 38 HG LEU 38 4.909 -2.013 9.897 290 HB2 LEU 38 1HB LEU 38 5.266 -4.220 7.817 291 HB3 LEU 38 2HB LEU 38 6.495 -3.080 8.340 292 HD11 LEU 38 1HD1 LEU 38 2.807 -2.246 8.699 293 HD12 LEU 38 2HD1 LEU 38 2.653 -2.941 10.310 294 HD13 LEU 38 3HD1 LEU 38 2.838 -3.998 8.912 295 HD21 LEU 38 3HD2 LEU 38 4.644 -3.829 11.510 296 HD22 LEU 38 1HD2 LEU 38 6.213 -3.932 10.713 297 HD23 LEU 38 2HD2 LEU 38 4.909 -5.026 10.240 298 H ILE 39 H ILE 39 3.157 -0.631 6.772 299 HA ILE 39 HA ILE 39 4.062 1.320 8.774 300 HB ILE 39 HB ILE 39 3.092 2.077 5.956 301 HG12 ILE 39 1HG1 ILE 39 5.815 2.595 7.256 302 HG13 ILE 39 2HG1 ILE 39 5.498 1.368 6.046 303 HG21 ILE 39 1HG2 ILE 39 2.187 3.650 7.627 304 HG22 ILE 39 2HG2 ILE 39 3.397 4.442 6.622 305 HG23 ILE 39 3HG2 ILE 39 3.810 3.941 8.261 306 HD11 ILE 39 3HD1 ILE 39 6.613 3.224 5.034 307 HD12 ILE 39 1HD1 ILE 39 5.414 4.349 5.661 308 HD13 ILE 39 2HD1 ILE 39 4.958 3.178 4.428 309 H SER 40 H SER 40 2.254 2.270 9.860 310 HA SER 40 HA SER 40 -0.395 1.100 9.250 311 HG SER 40 HG SER 40 1.244 0.462 11.883 312 HB2 SER 40 1HB SER 40 0.636 2.539 11.721 313 HB3 SER 40 2HB SER 40 -1.046 2.048 11.500 314 H VAL 41 H VAL 41 -2.110 2.341 8.676 315 HA VAL 41 HA VAL 41 -1.920 4.661 7.218 316 HB VAL 41 HB VAL 41 -3.856 3.096 7.200 317 HG11 VAL 41 1HG1 VAL 41 -4.120 2.730 9.608 318 HG12 VAL 41 2HG1 VAL 41 -5.646 3.252 8.899 319 HG13 VAL 41 3HG1 VAL 41 -4.674 4.392 9.828 320 HG21 VAL 41 3HG2 VAL 41 -4.664 6.001 7.656 321 HG22 VAL 41 1HG2 VAL 41 -5.663 4.777 6.867 322 HG23 VAL 41 2HG2 VAL 41 -4.147 5.286 6.130 323 H ASN 42 H ASN 42 -2.204 4.407 10.724 324 HA ASN 42 HA ASN 42 -3.011 7.160 11.153 325 HB2 ASN 42 1HB ASN 42 -2.813 6.551 13.582 326 HB3 ASN 42 2HB ASN 42 -3.882 5.493 12.671 327 HD21 ASN 42 2HD2 ASN 42 -0.778 5.712 14.297 328 HD22 ASN 42 1HD2 ASN 42 -0.474 4.013 14.351 329 H ASP 43 H ASP 43 -0.012 5.474 10.841 330 HA ASP 43 HA ASP 43 1.570 7.458 12.307 331 HB2 ASP 43 1HB ASP 43 2.353 4.871 10.895 332 HB3 ASP 43 2HB ASP 43 3.538 5.979 11.584 333 H GLN 44 H GLN 44 1.009 9.240 10.996 334 HA GLN 44 HA GLN 44 1.681 9.522 8.267 335 HB2 GLN 44 1HB GLN 44 1.237 11.513 10.510 336 HB3 GLN 44 2HB GLN 44 1.857 12.080 8.968 337 HG2 GLN 44 1HG GLN 44 -0.537 12.407 9.044 338 HG3 GLN 44 2HG GLN 44 -0.141 11.204 7.820 339 HE21 GLN 44 2HE2 GLN 44 -0.759 9.042 8.172 340 HE22 GLN 44 1HE2 GLN 44 -1.931 8.613 9.360 341 H GLU 45 H GLU 45 3.622 9.841 11.209 342 HA GLU 45 HA GLU 45 5.835 11.125 9.951 343 HB2 GLU 45 1HB GLU 45 7.101 10.466 12.097 344 HB3 GLU 45 2HB GLU 45 5.731 11.550 12.250 345 HG2 GLU 45 1HG GLU 45 5.588 10.069 14.072 346 HG3 GLU 45 2HG GLU 45 4.344 9.563 12.931 347 H LYS 46 H LYS 46 5.020 7.727 10.466 348 HA LYS 46 HA LYS 46 7.588 6.721 9.579 349 HB2 LYS 46 1HB LYS 46 6.205 5.419 11.155 350 HB3 LYS 46 2HB LYS 46 4.926 5.293 9.963 351 HG2 LYS 46 1HG LYS 46 6.041 3.179 10.065 352 HG3 LYS 46 2HG LYS 46 6.463 3.916 8.528 353 HD2 LYS 46 1HD LYS 46 8.339 4.202 10.891 354 HD3 LYS 46 2HD LYS 46 8.311 2.695 9.983 355 HE2 LYS 46 1HE LYS 46 8.891 3.914 7.925 356 HE3 LYS 46 2HE LYS 46 8.882 5.438 8.811 357 HZ1 LYS 46 3HZ LYS 46 11.119 4.630 8.515 358 HZ2 LYS 46 1HZ LYS 46 10.740 3.165 9.280 359 HZ3 LYS 46 2HZ LYS 46 10.721 4.611 10.157 360 H LEU 47 H LEU 47 4.437 7.337 8.121 361 HA LEU 47 HA LEU 47 4.938 5.991 5.656 362 HG LEU 47 HG LEU 47 3.074 7.764 3.794 363 HB2 LEU 47 1HB LEU 47 2.671 6.516 6.548 364 HB3 LEU 47 2HB LEU 47 2.961 8.212 6.228 365 HD11 LEU 47 1HD1 LEU 47 2.490 5.559 2.861 366 HD12 LEU 47 2HD1 LEU 47 2.457 4.867 4.484 367 HD13 LEU 47 3HD1 LEU 47 3.970 5.477 3.811 368 HD21 LEU 47 3HD2 LEU 47 0.581 6.616 5.091 369 HD22 LEU 47 1HD2 LEU 47 0.704 7.232 3.440 370 HD23 LEU 47 2HD2 LEU 47 0.909 8.327 4.803 371 H ALA 48 H ALA 48 4.989 9.396 6.593 372 HA ALA 48 HA ALA 48 5.986 10.452 4.151 373 HB1 ALA 48 3HB ALA 48 4.721 11.795 5.775 374 HB2 ALA 48 1HB ALA 48 6.290 12.527 5.425 375 HB3 ALA 48 2HB ALA 48 6.036 11.649 6.939 376 H ASP 49 H ASP 49 7.533 9.111 7.041 377 HA ASP 49 HA ASP 49 10.202 9.938 6.599 378 HB2 ASP 49 1HB ASP 49 9.491 8.837 8.703 379 HB3 ASP 49 2HB ASP 49 9.179 7.339 7.839 380 H PHE 50 H PHE 50 8.583 6.871 5.690 381 HA PHE 50 HA PHE 50 10.616 5.676 4.217 382 HD1 PHE 50 HD1 PHE 50 10.479 3.057 3.765 383 HD2 PHE 50 HD2 PHE 50 7.262 4.734 1.474 384 HE1 PHE 50 HE1 PHE 50 10.955 1.490 1.928 385 HE2 PHE 50 HE2 PHE 50 7.749 3.146 -0.343 386 HZ PHE 50 HZ PHE 50 9.595 1.535 -0.116 387 HB2 PHE 50 1HB PHE 50 8.560 4.456 4.838 388 HB3 PHE 50 2HB PHE 50 7.602 5.462 3.753 389 H LEU 51 H LEU 51 8.074 7.878 3.139 390 HA LEU 51 HA LEU 51 8.732 7.932 0.408 391 HG LEU 51 HG LEU 51 5.971 8.008 2.018 392 HB2 LEU 51 1HB LEU 51 7.339 10.038 2.098 393 HB3 LEU 51 2HB LEU 51 7.443 10.082 0.343 394 HD11 LEU 51 1HD1 LEU 51 4.776 10.123 1.807 395 HD12 LEU 51 2HD1 LEU 51 3.957 8.847 0.910 396 HD13 LEU 51 3HD1 LEU 51 4.920 10.050 0.047 397 HD21 LEU 51 3HD2 LEU 51 6.971 6.843 0.123 398 HD22 LEU 51 1HD2 LEU 51 6.329 8.047 -0.999 399 HD23 LEU 51 2HD2 LEU 51 5.232 6.985 -0.114 400 H SER 52 H SER 52 9.755 10.060 3.084 401 HA SER 52 HA SER 52 11.216 11.895 1.462 402 HG SER 52 HG SER 52 11.800 13.905 3.301 403 HB2 SER 52 1HB SER 52 10.243 12.487 3.665 404 HB3 SER 52 2HB SER 52 11.373 11.399 4.473 405 H GLN 53 H GLN 53 12.097 8.759 2.824 406 HA GLN 53 HA GLN 53 14.902 9.000 3.051 407 HB2 GLN 53 1HB GLN 53 13.253 6.542 2.326 408 HB3 GLN 53 2HB GLN 53 14.968 6.493 2.726 409 HG2 GLN 53 1HG GLN 53 12.697 7.288 4.569 410 HG3 GLN 53 2HG GLN 53 13.642 5.807 4.642 411 HE21 GLN 53 2HE2 GLN 53 13.215 7.943 6.652 412 HE22 GLN 53 1HE2 GLN 53 14.791 8.461 7.121 413 H HIS 54 H HIS 54 12.888 8.123 0.315 414 HA HIS 54 HA HIS 54 14.860 9.191 -1.582 415 HD1 HIS 54 HD1 HIS 54 14.881 4.588 -1.333 416 HD2 HIS 54 HD2 HIS 54 17.097 7.962 -2.318 417 HE1 HIS 54 HE1 HIS 54 17.275 3.925 -1.045 418 HE2 HIS 54 HE2 HIS 54 18.604 5.954 -1.715 419 HB2 HIS 54 1HB HIS 54 13.414 6.507 -1.885 420 HB3 HIS 54 2HB HIS 54 14.118 7.359 -3.261 421 H LYS 55 H LYS 55 13.545 11.059 -1.646 422 HA LYS 55 HA LYS 55 10.761 10.900 -1.333 423 HB2 LYS 55 1HB LYS 55 12.474 12.838 -0.809 424 HB3 LYS 55 2HB LYS 55 12.113 13.364 -2.451 425 HG2 LYS 55 1HG LYS 55 9.679 13.375 -1.819 426 HG3 LYS 55 2HG LYS 55 10.176 13.026 -0.167 427 HD2 LYS 55 1HD LYS 55 9.833 15.364 -0.188 428 HD3 LYS 55 2HD LYS 55 11.583 15.185 -0.302 429 HE2 LYS 55 1HE LYS 55 9.722 15.688 -2.638 430 HE3 LYS 55 2HE LYS 55 10.679 16.920 -1.830 431 HZ1 LYS 55 3HZ LYS 55 11.693 14.633 -3.432 432 HZ2 LYS 55 1HZ LYS 55 12.682 15.660 -2.517 433 HZ3 LYS 55 2HZ LYS 55 11.788 16.277 -3.807 434 H ASP 56 H ASP 56 12.681 10.752 -4.183 435 HA ASP 56 HA ASP 56 10.298 11.070 -5.912 436 HB2 ASP 56 1HB ASP 56 13.227 11.691 -6.509 437 HB3 ASP 56 2HB ASP 56 11.964 11.678 -7.737 438 H LYS 57 H LYS 57 10.125 8.698 -5.062 439 HA LYS 57 HA LYS 57 10.875 7.142 -7.431 440 HB2 LYS 57 1HB LYS 57 11.664 5.235 -6.395 441 HB3 LYS 57 2HB LYS 57 12.338 6.479 -5.364 442 HG2 LYS 57 1HG LYS 57 9.897 4.781 -4.737 443 HG3 LYS 57 2HG LYS 57 11.517 4.544 -4.089 444 HD2 LYS 57 1HD LYS 57 11.250 7.000 -3.253 445 HD3 LYS 57 2HD LYS 57 9.532 6.720 -3.488 446 HE2 LYS 57 1HE LYS 57 9.710 4.759 -1.937 447 HE3 LYS 57 2HE LYS 57 11.396 5.199 -1.647 448 HZ1 LYS 57 3HZ LYS 57 9.007 6.820 -1.019 449 HZ2 LYS 57 1HZ LYS 57 10.596 7.379 -0.879 450 HZ3 LYS 57 2HZ LYS 57 10.062 6.094 0.081 451 H LYS 58 H LYS 58 9.402 5.215 -7.738 452 HA LYS 58 HA LYS 58 6.666 6.137 -7.447 453 HB2 LYS 58 1HB LYS 58 7.720 5.188 -9.574 454 HB3 LYS 58 2HB LYS 58 7.590 3.592 -8.826 455 HG2 LYS 58 1HG LYS 58 5.235 3.656 -8.827 456 HG3 LYS 58 2HG LYS 58 5.184 5.397 -9.089 457 HD2 LYS 58 1HD LYS 58 4.551 4.187 -11.126 458 HD3 LYS 58 2HD LYS 58 6.029 5.113 -11.359 459 HE2 LYS 58 1HE LYS 58 7.386 3.102 -11.235 460 HE3 LYS 58 2HE LYS 58 5.986 2.126 -10.780 461 HZ1 LYS 58 3HZ LYS 58 5.025 2.517 -12.938 462 HZ2 LYS 58 1HZ LYS 58 6.583 1.886 -13.130 463 HZ3 LYS 58 2HZ LYS 58 6.303 3.536 -13.382 464 H VAL 59 H VAL 59 5.524 5.641 -5.664 465 HA VAL 59 HA VAL 59 5.963 3.062 -4.240 466 HB VAL 59 HB VAL 59 4.978 5.699 -3.037 467 HG11 VAL 59 1HG1 VAL 59 5.343 4.633 -0.850 468 HG12 VAL 59 2HG1 VAL 59 5.787 3.122 -1.648 469 HG13 VAL 59 3HG1 VAL 59 4.147 3.753 -1.802 470 HG21 VAL 59 3HG2 VAL 59 7.198 5.853 -1.964 471 HG22 VAL 59 1HG2 VAL 59 7.313 5.911 -3.722 472 HG23 VAL 59 2HG2 VAL 59 7.735 4.429 -2.862 473 H LEU 60 H LEU 60 4.140 1.912 -3.483 474 HA LEU 60 HA LEU 60 1.464 2.810 -4.420 475 HG LEU 60 HG LEU 60 0.138 0.056 -4.345 476 HB2 LEU 60 1HB LEU 60 2.425 1.173 -6.012 477 HB3 LEU 60 2HB LEU 60 2.682 0.037 -4.697 478 HD11 LEU 60 1HD1 LEU 60 0.161 1.398 -7.064 479 HD12 LEU 60 2HD1 LEU 60 -0.389 2.115 -5.547 480 HD13 LEU 60 3HD1 LEU 60 -1.258 0.747 -6.237 481 HD21 LEU 60 3HD2 LEU 60 1.156 -1.033 -6.980 482 HD22 LEU 60 1HD2 LEU 60 -0.279 -1.570 -6.106 483 HD23 LEU 60 2HD2 LEU 60 1.319 -1.817 -5.409 484 H LEU 61 H LEU 61 0.435 3.171 -2.484 485 HA LEU 61 HA LEU 61 0.844 1.534 -0.120 486 HG LEU 61 HG LEU 61 1.192 3.672 1.409 487 HB2 LEU 61 1HB LEU 61 -0.939 3.910 -0.759 488 HB3 LEU 61 2HB LEU 61 -1.104 3.036 0.751 489 HD11 LEU 61 1HD1 LEU 61 1.312 5.204 -1.205 490 HD12 LEU 61 2HD1 LEU 61 2.294 3.809 -0.758 491 HD13 LEU 61 3HD1 LEU 61 2.485 5.330 0.110 492 HD21 LEU 61 3HD2 LEU 61 -0.663 5.141 2.055 493 HD22 LEU 61 1HD2 LEU 61 -0.505 6.044 0.545 494 HD23 LEU 61 2HD2 LEU 61 0.787 6.087 1.745 495 H HIS 62 H HIS 62 0.007 -0.565 -0.382 496 HA HIS 62 HA HIS 62 -2.675 -0.932 -1.520 497 HD1 HIS 62 HD1 HIS 62 -2.654 -4.631 0.349 498 HD2 HIS 62 HD2 HIS 62 1.211 -3.140 0.174 499 HE1 HIS 62 HE1 HIS 62 -1.367 -5.892 2.094 500 HE2 HIS 62 HE2 HIS 62 0.879 -4.786 2.127 501 HB2 HIS 62 1HB HIS 62 -2.197 -3.211 -1.755 502 HB3 HIS 62 2HB HIS 62 -0.600 -2.506 -1.935 503 H CYS 63 H CYS 63 -4.454 -1.694 -0.400 504 HA CYS 63 HA CYS 63 -4.296 -1.765 2.582 505 HG CYS 63 HG CYS 63 -6.603 -1.096 4.172 506 HB2 CYS 63 1HB CYS 63 -5.387 0.285 1.942 507 HB3 CYS 63 2HB CYS 63 -6.432 -0.557 0.794 508 H ARG 64 H ARG 64 -5.900 -3.045 3.670 509 HA ARG 64 HA ARG 64 -6.429 -5.640 2.770 510 HE ARG 64 HE ARG 64 -10.164 -5.198 5.859 511 HB2 ARG 64 1HB ARG 64 -6.495 -4.636 5.170 512 HB3 ARG 64 2HB ARG 64 -8.138 -4.150 4.815 513 HG2 ARG 64 1HG ARG 64 -7.183 -7.031 4.766 514 HG3 ARG 64 2HG ARG 64 -7.868 -6.257 6.187 515 HD2 ARG 64 1HD ARG 64 -9.274 -6.785 3.556 516 HD3 ARG 64 2HD ARG 64 -9.540 -7.624 5.085 517 HH11 ARG 64 1HH1 ARG 64 -10.998 -6.668 2.773 518 HH12 ARG 64 2HH1 ARG 64 -12.510 -5.828 2.647 519 HH21 ARG 64 1HH2 ARG 64 -12.140 -4.073 5.641 520 HH22 ARG 64 2HH2 ARG 64 -13.141 -4.352 4.253 521 H ALA 65 H ALA 65 -8.468 -2.725 2.649 522 HA ALA 65 HA ALA 65 -10.304 -4.046 0.723 523 HB1 ALA 65 3HB ALA 65 -11.457 -3.330 2.779 524 HB2 ALA 65 1HB ALA 65 -12.001 -2.383 1.394 525 HB3 ALA 65 2HB ALA 65 -10.867 -1.684 2.554 526 H GLY 66 H GLY 66 -9.313 -0.681 1.529 527 HA2 GLY 66 1HA GLY 66 -7.917 0.025 -0.729 528 HA3 GLY 66 2HA GLY 66 -9.602 0.206 -1.197 529 H ARG 67 H ARG 67 -10.217 0.975 1.719 530 HA ARG 67 HA ARG 67 -10.101 3.783 1.285 531 HE ARG 67 HE ARG 67 -10.835 6.745 4.653 532 HB2 ARG 67 1HB ARG 67 -11.988 2.860 2.517 533 HB3 ARG 67 2HB ARG 67 -10.921 2.223 3.759 534 HG2 ARG 67 1HG ARG 67 -12.075 4.243 4.557 535 HG3 ARG 67 2HG ARG 67 -10.333 4.499 4.477 536 HD2 ARG 67 1HD ARG 67 -10.783 5.553 2.147 537 HD3 ARG 67 2HD ARG 67 -12.476 5.608 2.651 538 HH11 ARG 67 1HH1 ARG 67 -12.216 7.517 1.517 539 HH12 ARG 67 2HH1 ARG 67 -11.950 9.223 1.700 540 HH21 ARG 67 1HH2 ARG 67 -10.488 8.966 4.863 541 HH22 ARG 67 2HH2 ARG 67 -10.976 10.043 3.589 542 H ARG 68 H ARG 68 -8.188 1.624 3.438 543 HA ARG 68 HA ARG 68 -6.797 3.727 4.797 544 HE ARG 68 HE ARG 68 -9.325 1.855 7.985 545 HB2 ARG 68 1HB ARG 68 -5.831 0.872 4.294 546 HB3 ARG 68 2HB ARG 68 -5.160 1.991 5.477 547 HG2 ARG 68 1HG ARG 68 -7.932 0.785 5.513 548 HG3 ARG 68 2HG ARG 68 -6.586 0.357 6.564 549 HD2 ARG 68 1HD ARG 68 -6.617 2.709 7.458 550 HD3 ARG 68 2HD ARG 68 -8.051 3.016 6.484 551 HH11 ARG 68 1HH1 ARG 68 -5.953 1.177 8.745 552 HH12 ARG 68 2HH1 ARG 68 -6.320 0.446 10.273 553 HH21 ARG 68 1HH2 ARG 68 -9.781 0.935 10.008 554 HH22 ARG 68 2HH2 ARG 68 -8.493 0.321 10.994 555 H ALA 69 H ALA 69 -6.283 2.049 1.799 556 HA ALA 69 HA ALA 69 -3.687 2.885 1.077 557 HB1 ALA 69 3HB ALA 69 -6.083 2.287 -0.718 558 HB2 ALA 69 1HB ALA 69 -4.956 1.087 -0.078 559 HB3 ALA 69 2HB ALA 69 -4.394 2.301 -1.217 560 H LEU 70 H LEU 70 -6.869 4.177 0.201 561 HA LEU 70 HA LEU 70 -6.119 6.497 -1.151 562 HG LEU 70 HG LEU 70 -8.582 8.258 0.155 563 HB2 LEU 70 1HB LEU 70 -8.363 5.592 -1.305 564 HB3 LEU 70 2HB LEU 70 -8.609 5.761 0.425 565 HD11 LEU 70 1HD1 LEU 70 -7.268 8.454 -1.902 566 HD12 LEU 70 2HD1 LEU 70 -8.820 9.272 -2.055 567 HD13 LEU 70 3HD1 LEU 70 -8.576 7.703 -2.825 568 HD21 LEU 70 3HD2 LEU 70 -10.687 6.837 -1.508 569 HD22 LEU 70 1HD2 LEU 70 -10.828 8.447 -0.795 570 HD23 LEU 70 2HD2 LEU 70 -10.712 7.032 0.247 571 H ASP 71 H ASP 71 -7.182 6.144 2.215 572 HA ASP 71 HA ASP 71 -7.309 8.808 2.981 573 HB2 ASP 71 1HB ASP 71 -8.366 6.864 4.161 574 HB3 ASP 71 2HB ASP 71 -6.782 6.366 4.734 575 H ALA 72 H ALA 72 -4.712 6.460 3.566 576 HA ALA 72 HA ALA 72 -2.897 8.152 4.917 577 HB1 ALA 72 3HB ALA 72 -2.345 5.647 3.277 578 HB2 ALA 72 1HB ALA 72 -2.824 5.687 4.978 579 HB3 ALA 72 2HB ALA 72 -1.276 6.359 4.489 580 H ALA 73 H ALA 73 -3.144 7.202 1.471 581 HA ALA 73 HA ALA 73 -0.886 8.664 0.563 582 HB1 ALA 73 3HB ALA 73 -3.296 7.736 -1.034 583 HB2 ALA 73 1HB ALA 73 -1.844 6.784 -0.706 584 HB3 ALA 73 2HB ALA 73 -1.738 8.238 -1.698 585 H LYS 74 H LYS 74 -4.252 9.623 1.129 586 HA LYS 74 HA LYS 74 -4.284 12.018 -0.402 587 HB2 LYS 74 1HB LYS 74 -5.864 11.472 2.154 588 HB3 LYS 74 2HB LYS 74 -6.155 12.794 1.028 589 HG2 LYS 74 1HG LYS 74 -6.504 10.866 -0.721 590 HG3 LYS 74 2HG LYS 74 -6.724 9.863 0.707 591 HD2 LYS 74 1HD LYS 74 -8.911 10.514 0.107 592 HD3 LYS 74 2HD LYS 74 -8.497 11.586 1.446 593 HE2 LYS 74 1HE LYS 74 -7.924 13.370 -0.189 594 HE3 LYS 74 2HE LYS 74 -8.368 12.280 -1.514 595 HZ1 LYS 74 3HZ LYS 74 -10.139 13.827 -0.963 596 HZ2 LYS 74 1HZ LYS 74 -10.208 13.235 0.616 597 HZ3 LYS 74 2HZ LYS 74 -10.620 12.233 -0.676 598 H SER 75 H SER 75 -3.651 11.405 3.033 599 HA SER 75 HA SER 75 -3.031 13.918 3.972 600 HG SER 75 HG SER 75 -3.497 10.667 5.141 601 HB2 SER 75 1HB SER 75 -1.544 11.382 4.789 602 HB3 SER 75 2HB SER 75 -1.868 12.804 5.782 603 H MET 76 H MET 76 -0.864 11.598 2.367 604 HA MET 76 HA MET 76 1.491 13.241 2.562 605 HB2 MET 76 1HB MET 76 0.845 10.629 1.182 606 HB3 MET 76 2HB MET 76 2.391 11.433 0.898 607 HG2 MET 76 1HG MET 76 2.432 9.695 2.710 608 HG3 MET 76 2HG MET 76 3.001 11.294 3.199 609 HE1 MET 76 3HE MET 76 1.389 10.785 6.571 610 HE2 MET 76 1HE MET 76 2.584 11.691 5.648 611 HE3 MET 76 2HE MET 76 2.646 9.928 5.681 612 H HIS 77 H HIS 77 -0.876 12.713 -0.032 613 HA HIS 77 HA HIS 77 0.413 14.282 -2.006 614 HD1 HIS 77 HD1 HIS 77 -1.283 13.904 -5.016 615 HD2 HIS 77 HD2 HIS 77 -1.146 10.819 -2.246 616 HE1 HIS 77 HE1 HIS 77 -0.784 11.827 -6.337 617 HE2 HIS 77 HE2 HIS 77 -0.900 9.966 -4.659 618 HB2 HIS 77 1HB HIS 77 -2.422 13.371 -1.574 619 HB3 HIS 77 2HB HIS 77 -2.137 14.630 -2.765 620 H GLU 78 H GLU 78 -1.474 15.145 0.815 621 HA GLU 78 HA GLU 78 -1.725 17.957 0.190 622 HB2 GLU 78 1HB GLU 78 -2.056 16.577 2.885 623 HB3 GLU 78 2HB GLU 78 -2.680 18.160 2.431 624 HG2 GLU 78 1HG GLU 78 -3.526 15.548 1.177 625 HG3 GLU 78 2HG GLU 78 -4.396 16.327 2.473 626 H LEU 79 H LEU 79 0.604 15.910 1.886 627 HA LEU 79 HA LEU 79 2.130 18.034 3.087 628 HG LEU 79 HG LEU 79 1.268 14.952 4.027 629 HB2 LEU 79 1HB LEU 79 3.044 15.209 2.412 630 HB3 LEU 79 2HB LEU 79 3.902 16.338 3.448 631 HD11 LEU 79 1HD1 LEU 79 3.245 13.560 4.401 632 HD12 LEU 79 2HD1 LEU 79 2.444 13.947 5.920 633 HD13 LEU 79 3HD1 LEU 79 3.926 14.792 5.467 634 HD21 LEU 79 3HD2 LEU 79 1.233 16.109 6.205 635 HD22 LEU 79 1HD2 LEU 79 1.063 17.235 4.861 636 HD23 LEU 79 2HD2 LEU 79 2.607 17.094 5.703 637 H GLY 80 H GLY 80 1.958 16.688 -0.094 638 HA2 GLY 80 1HA GLY 80 2.812 18.143 -1.884 639 HA3 GLY 80 2HA GLY 80 4.308 18.296 -0.977 640 H TYR 81 H TYR 81 3.592 15.175 -0.458 641 HA TYR 81 HA TYR 81 5.309 14.095 -2.518 642 HD1 TYR 81 HD2 TYR 81 7.245 12.927 -0.921 643 HD2 TYR 81 HD1 TYR 81 3.839 13.308 1.634 644 HE1 TYR 81 HE2 TYR 81 8.722 13.324 1.004 645 HE2 TYR 81 HE1 TYR 81 5.329 13.709 3.550 646 HH TYR 81 HH TYR 81 8.651 14.362 3.205 647 HB2 TYR 81 1HB TYR 81 3.516 12.565 -0.584 648 HB3 TYR 81 2HB TYR 81 4.874 11.909 -1.488 649 H THR 82 H THR 82 4.503 12.131 -3.840 650 HA THR 82 HA THR 82 1.622 12.106 -4.426 651 HB THR 82 HB THR 82 2.189 11.835 -6.943 652 HG1 THR 82 HG1 THR 82 4.392 11.601 -6.893 653 HG21 THR 82 3HG2 THR 82 1.099 13.882 -6.101 654 HG22 THR 82 1HG2 THR 82 2.225 14.243 -7.415 655 HG23 THR 82 2HG2 THR 82 2.681 14.582 -5.744 656 HA PRO 83 HA PRO 83 3.242 7.719 -4.270 657 HB2 PRO 83 1HB PRO 83 1.931 6.842 -2.061 658 HB3 PRO 83 2HB PRO 83 3.496 7.656 -1.945 659 HG2 PRO 83 1HG PRO 83 0.736 8.787 -1.498 660 HG3 PRO 83 2HG PRO 83 2.214 9.017 -0.536 661 HD2 PRO 83 1HD PRO 83 1.325 10.849 -2.380 662 HD3 PRO 83 2HD PRO 83 3.034 10.651 -1.948 663 H TYR 84 H TYR 84 2.078 6.181 -5.345 664 HA TYR 84 HA TYR 84 -0.710 6.471 -6.046 665 HD1 TYR 84 HD2 TYR 84 2.933 5.896 -7.250 666 HD2 TYR 84 HD1 TYR 84 -0.805 5.243 -9.222 667 HE1 TYR 84 HE2 TYR 84 3.796 6.991 -9.276 668 HE2 TYR 84 HE1 TYR 84 0.070 6.334 -11.240 669 HH TYR 84 HH TYR 84 3.380 7.024 -11.676 670 HB2 TYR 84 1HB TYR 84 1.222 4.135 -6.447 671 HB3 TYR 84 2HB TYR 84 -0.409 4.195 -7.107 672 H TYR 85 H TYR 85 -2.139 4.391 -5.719 673 HA TYR 85 HA TYR 85 -1.611 2.896 -3.300 674 HD1 TYR 85 HD1 TYR 85 -3.334 6.698 -4.017 675 HD2 TYR 85 HD2 TYR 85 -5.861 3.424 -2.938 676 HE1 TYR 85 HE1 TYR 85 -5.273 7.885 -4.903 677 HE2 TYR 85 HE2 TYR 85 -7.804 4.632 -3.837 678 HH TYR 85 HH TYR 85 -7.493 7.383 -5.790 679 HB2 TYR 85 1HB TYR 85 -3.576 3.581 -2.053 680 HB3 TYR 85 2HB TYR 85 -2.581 4.983 -2.380 681 H LEU 86 H LEU 86 -3.005 1.131 -3.031 682 HA LEU 86 HA LEU 86 -4.309 0.240 -5.519 683 HG LEU 86 HG LEU 86 -2.609 -3.118 -5.374 684 HB2 LEU 86 1HB LEU 86 -2.143 -0.856 -5.028 685 HB3 LEU 86 2HB LEU 86 -2.730 -1.374 -3.464 686 HD11 LEU 86 1HD1 LEU 86 -5.253 -2.904 -3.920 687 HD12 LEU 86 2HD1 LEU 86 -3.772 -3.617 -3.281 688 HD13 LEU 86 3HD1 LEU 86 -4.577 -4.359 -4.660 689 HD21 LEU 86 3HD2 LEU 86 -4.481 -3.256 -6.915 690 HD22 LEU 86 1HD2 LEU 86 -3.603 -1.745 -7.139 691 HD23 LEU 86 2HD2 LEU 86 -5.147 -1.749 -6.282 692 H GLU 87 H GLU 87 -6.391 0.180 -5.286 693 HA GLU 87 HA GLU 87 -7.735 -0.617 -2.799 694 HB2 GLU 87 1HB GLU 87 -8.847 0.280 -5.500 695 HB3 GLU 87 2HB GLU 87 -9.818 -0.086 -4.075 696 HG2 GLU 87 1HG GLU 87 -8.729 1.781 -2.862 697 HG3 GLU 87 2HG GLU 87 -7.775 2.149 -4.297 698 H GLY 88 H GLY 88 -7.682 -2.737 -2.485 699 HA2 GLY 88 1HA GLY 88 -8.957 -4.650 -4.110 700 HA3 GLY 88 2HA GLY 88 -7.218 -4.760 -4.380 701 H ASN 89 H ASN 89 -9.052 -6.686 -3.099 702 HA ASN 89 HA ASN 89 -8.747 -6.584 -0.265 703 HB2 ASN 89 1HB ASN 89 -9.652 -8.805 -2.127 704 HB3 ASN 89 2HB ASN 89 -9.593 -9.001 -0.377 705 HD21 ASN 89 2HD2 ASN 89 -10.474 -6.331 0.304 706 HD22 ASN 89 1HD2 ASN 89 -12.140 -6.213 -0.130 707 H VAL 90 H VAL 90 -7.173 -7.336 1.032 708 HA VAL 90 HA VAL 90 -4.629 -7.922 -0.054 709 HB VAL 90 HB VAL 90 -5.025 -6.740 2.152 710 HG11 VAL 90 1HG1 VAL 90 -5.275 -8.044 4.217 711 HG12 VAL 90 2HG1 VAL 90 -5.444 -9.529 3.273 712 HG13 VAL 90 3HG1 VAL 90 -6.665 -8.262 3.150 713 HG21 VAL 90 3HG2 VAL 90 -2.995 -7.597 3.257 714 HG22 VAL 90 1HG2 VAL 90 -2.768 -7.484 1.512 715 HG23 VAL 90 2HG2 VAL 90 -3.055 -9.052 2.263 716 H TYR 91 H TYR 91 -7.172 -9.969 1.194 717 HA TYR 91 HA TYR 91 -5.654 -12.401 1.334 718 HD1 TYR 91 HD2 TYR 91 -6.640 -13.694 3.834 719 HD2 TYR 91 HD1 TYR 91 -8.808 -10.141 2.898 720 HE1 TYR 91 HE2 TYR 91 -6.563 -13.023 6.192 721 HE2 TYR 91 HE1 TYR 91 -8.714 -9.463 5.255 722 HH TYR 91 HH TYR 91 -6.690 -10.933 7.516 723 HB2 TYR 91 1HB TYR 91 -8.674 -11.968 1.255 724 HB3 TYR 91 2HB TYR 91 -7.876 -13.483 1.668 725 H ASP 92 H ASP 92 -6.906 -10.640 -1.277 726 HA ASP 92 HA ASP 92 -7.359 -12.997 -2.985 727 HB2 ASP 92 1HB ASP 92 -8.265 -10.126 -3.160 728 HB3 ASP 92 2HB ASP 92 -8.228 -11.114 -4.622 729 H PHE 93 H PHE 93 -4.873 -10.722 -2.413 730 HA PHE 93 HA PHE 93 -3.826 -10.281 -4.971 731 HD1 PHE 93 HD2 PHE 93 -4.426 -8.409 -4.252 732 HD2 PHE 93 HD1 PHE 93 -1.508 -8.716 -1.152 733 HE1 PHE 93 HE2 PHE 93 -5.053 -6.180 -3.443 734 HE2 PHE 93 HE1 PHE 93 -2.141 -6.491 -0.355 735 HZ PHE 93 HZ PHE 93 -3.904 -5.210 -1.490 736 HB2 PHE 93 1HB PHE 93 -2.243 -10.715 -2.405 737 HB3 PHE 93 2HB PHE 93 -1.613 -9.978 -3.876 738 H GLU 94 H GLU 94 -3.406 -12.969 -2.750 739 HA GLU 94 HA GLU 94 -1.278 -14.237 -4.158 740 HB2 GLU 94 1HB GLU 94 -1.757 -14.246 -1.662 741 HB3 GLU 94 2HB GLU 94 -3.030 -15.415 -1.972 742 HG2 GLU 94 1HG GLU 94 -0.307 -16.088 -3.012 743 HG3 GLU 94 2HG GLU 94 -0.493 -16.075 -1.266 744 H LYS 95 H LYS 95 -4.800 -14.819 -4.006 745 HA LYS 95 HA LYS 95 -4.699 -17.169 -5.672 746 HB2 LYS 95 1HB LYS 95 -7.193 -16.956 -5.811 747 HB3 LYS 95 2HB LYS 95 -6.571 -17.019 -4.169 748 HG2 LYS 95 1HG LYS 95 -6.882 -14.634 -3.895 749 HG3 LYS 95 2HG LYS 95 -7.373 -14.461 -5.580 750 HD2 LYS 95 1HD LYS 95 -8.892 -16.132 -3.531 751 HD3 LYS 95 2HD LYS 95 -9.277 -14.455 -3.913 752 HE2 LYS 95 1HE LYS 95 -9.731 -15.089 -6.259 753 HE3 LYS 95 2HE LYS 95 -9.343 -16.769 -5.887 754 HZ1 LYS 95 3HZ LYS 95 -11.739 -16.323 -5.913 755 HZ2 LYS 95 1HZ LYS 95 -11.554 -15.224 -4.639 756 HZ3 LYS 95 2HZ LYS 95 -11.214 -16.863 -4.396 757 H TYR 96 H TYR 96 -4.942 -13.722 -6.286 758 HA TYR 96 HA TYR 96 -5.752 -13.920 -9.034 759 HD1 TYR 96 HD1 TYR 96 -7.286 -13.180 -6.828 760 HD2 TYR 96 HD2 TYR 96 -6.477 -9.898 -9.444 761 HE1 TYR 96 HE1 TYR 96 -9.654 -12.518 -6.735 762 HE2 TYR 96 HE2 TYR 96 -8.838 -9.241 -9.345 763 HH TYR 96 HH TYR 96 -10.976 -10.369 -7.050 764 HB2 TYR 96 1HB TYR 96 -4.739 -11.685 -7.276 765 HB3 TYR 96 2HB TYR 96 -4.733 -11.440 -9.019 766 H GLY 97 H GLY 97 -2.611 -13.837 -7.367 767 HA2 GLY 97 1HA GLY 97 -1.124 -15.423 -8.856 768 HA3 GLY 97 2HA GLY 97 -1.155 -14.033 -9.936 769 H PHE 98 H PHE 98 -1.236 -12.389 -7.293 770 HA PHE 98 HA PHE 98 1.612 -11.864 -7.255 771 HD1 PHE 98 HD2 PHE 98 1.513 -9.340 -8.469 772 HD2 PHE 98 HD1 PHE 98 -2.420 -10.034 -6.931 773 HE1 PHE 98 HE2 PHE 98 0.540 -8.167 -10.407 774 HE2 PHE 98 HE1 PHE 98 -3.375 -8.866 -8.872 775 HZ PHE 98 HZ PHE 98 -1.900 -7.929 -10.607 776 HB2 PHE 98 1HB PHE 98 -0.544 -10.530 -5.567 777 HB3 PHE 98 2HB PHE 98 1.044 -9.891 -5.977 778 H ARG 99 H ARG 99 2.827 -13.268 -6.067 779 HA ARG 99 HA ARG 99 1.958 -14.875 -3.954 780 HE ARG 99 HE ARG 99 7.356 -12.358 -4.888 781 HB2 ARG 99 1HB ARG 99 4.205 -15.567 -3.609 782 HB3 ARG 99 2HB ARG 99 4.101 -15.198 -5.318 783 HG2 ARG 99 1HG ARG 99 5.476 -13.563 -3.158 784 HG3 ARG 99 2HG ARG 99 6.227 -14.418 -4.506 785 HD2 ARG 99 1HD ARG 99 4.822 -12.840 -5.996 786 HD3 ARG 99 2HD ARG 99 4.610 -11.876 -4.542 787 HH11 ARG 99 1HH1 ARG 99 4.771 -10.498 -6.378 788 HH12 ARG 99 2HH1 ARG 99 5.844 -9.304 -7.027 789 HH21 ARG 99 1HH2 ARG 99 8.755 -10.784 -5.786 790 HH22 ARG 99 2HH2 ARG 99 8.095 -9.478 -6.716 791 H MET 100 H MET 100 2.418 -14.847 -1.725 792 HA MET 100 HA MET 100 2.836 -12.242 -0.428 793 HB2 MET 100 1HB MET 100 0.359 -13.957 0.071 794 HB3 MET 100 2HB MET 100 0.800 -12.517 0.981 795 HG2 MET 100 1HG MET 100 0.564 -11.187 -1.134 796 HG3 MET 100 2HG MET 100 -0.031 -12.646 -1.927 797 HE1 MET 100 3HE MET 100 -2.174 -10.476 1.520 798 HE2 MET 100 1HE MET 100 -0.740 -9.849 0.702 799 HE3 MET 100 2HE MET 100 -0.624 -11.290 1.717 800 H VAL 101 H VAL 101 3.661 -12.374 1.589 801 HA VAL 101 HA VAL 101 4.687 -14.943 2.516 802 HB VAL 101 HB VAL 101 5.271 -12.141 3.586 803 HG11 VAL 101 1HG1 VAL 101 5.838 -13.916 5.176 804 HG12 VAL 101 2HG1 VAL 101 7.301 -13.160 4.549 805 HG13 VAL 101 3HG1 VAL 101 6.801 -14.743 3.948 806 HG21 VAL 101 3HG2 VAL 101 5.909 -12.238 1.217 807 HG22 VAL 101 1HG2 VAL 101 6.839 -13.712 1.500 808 HG23 VAL 101 2HG2 VAL 101 7.347 -12.187 2.234 809 H TYR 102 H TYR 102 3.276 -16.028 3.734 810 HA TYR 102 HA TYR 102 1.409 -14.715 5.595 811 HD1 TYR 102 HD1 TYR 102 1.534 -16.665 2.282 812 HD2 TYR 102 HD2 TYR 102 -1.596 -16.187 5.147 813 HE1 TYR 102 HE1 TYR 102 -0.065 -16.208 0.475 814 HE2 TYR 102 HE2 TYR 102 -3.181 -15.729 3.340 815 HH TYR 102 HH TYR 102 -2.502 -16.338 0.102 816 HB2 TYR 102 1HB TYR 102 1.686 -17.612 4.675 817 HB3 TYR 102 2HB TYR 102 0.503 -17.075 5.861 818 H ASP 103 H ASP 103 1.330 -15.202 7.796 819 HA ASP 103 HA ASP 103 2.059 -15.575 9.893 820 HB2 ASP 103 1HB ASP 103 3.260 -18.101 8.657 821 HB3 ASP 103 2HB ASP 103 2.983 -17.842 10.377 822 H ASP 104 H ASP 104 3.682 -13.939 8.253 823 HA ASP 104 HA ASP 104 6.440 -14.395 8.298 824 HB2 ASP 104 1HB ASP 104 5.325 -12.698 6.866 825 HB3 ASP 104 2HB ASP 104 4.908 -11.749 8.285 826 H THR 105 H THR 105 4.512 -12.283 10.390 827 HA THR 105 HA THR 105 4.658 -11.476 12.463 828 HB THR 105 HB THR 105 5.167 -13.018 14.284 829 HG1 THR 105 HG1 THR 105 6.178 -14.807 12.284 830 HG21 THR 105 3HG2 THR 105 3.769 -14.424 11.977 831 HG22 THR 105 1HG2 THR 105 3.012 -13.336 13.143 832 HG23 THR 105 2HG2 THR 105 3.657 -14.889 13.673 833 H CYS 106 H CYS 106 6.880 -10.769 10.745 834 HA CYS 106 HA CYS 106 8.865 -9.710 10.690 835 HG CYS 106 HG CYS 106 8.025 -6.856 11.372 836 HB2 CYS 106 1HB CYS 106 8.417 -9.314 13.672 837 HB3 CYS 106 2HB CYS 106 9.647 -8.484 12.724 838 H ASP 107 H ASP 107 8.641 -12.673 11.642 839 HA ASP 107 HA ASP 107 11.102 -13.199 13.063 840 HB2 ASP 107 1HB ASP 107 9.086 -14.589 13.450 841 HB3 ASP 107 2HB ASP 107 9.066 -15.064 11.757 842 H LYS 108 H LYS 108 12.844 -14.497 12.157 843 HA LYS 108 HA LYS 108 13.081 -14.346 9.214 844 HB2 LYS 108 1HB LYS 108 14.422 -12.569 10.546 845 HB3 LYS 108 2HB LYS 108 15.416 -13.898 11.117 846 HG2 LYS 108 1HG LYS 108 16.701 -13.214 9.335 847 HG3 LYS 108 2HG LYS 108 15.685 -14.385 8.499 848 HD2 LYS 108 1HD LYS 108 15.218 -11.371 8.570 849 HD3 LYS 108 2HD LYS 108 15.963 -12.243 7.236 850 HE2 LYS 108 1HE LYS 108 13.878 -13.374 6.736 851 HE3 LYS 108 2HE LYS 108 13.119 -12.731 8.192 852 HZ1 LYS 108 3HZ LYS 108 12.394 -11.486 6.304 853 HZ2 LYS 108 1HZ LYS 108 13.985 -11.166 5.816 854 HZ3 LYS 108 2HZ LYS 108 13.380 -10.491 7.245 855 H LYS 109 H LYS 109 14.911 -15.744 11.974 856 HA LYS 109 HA LYS 109 16.085 -17.645 12.260 857 HB2 LYS 109 1HB LYS 109 13.958 -18.916 10.483 858 HB3 LYS 109 2HB LYS 109 15.123 -19.810 11.449 859 HG2 LYS 109 1HG LYS 109 14.118 -18.766 13.503 860 HG3 LYS 109 2HG LYS 109 12.872 -18.056 12.477 861 HD2 LYS 109 1HD LYS 109 13.403 -21.035 12.872 862 HD3 LYS 109 2HD LYS 109 12.044 -20.127 13.534 863 HE2 LYS 109 1HE LYS 109 12.566 -20.564 10.570 864 HE3 LYS 109 2HE LYS 109 11.421 -21.486 11.543 865 HZ1 LYS 109 3HZ LYS 109 10.163 -19.482 11.930 866 HZ2 LYS 109 1HZ LYS 109 10.358 -19.726 10.268 867 HZ3 LYS 109 2HZ LYS 109 11.284 -18.559 11.063 868 H ASN 110 H ASN 110 17.071 -19.651 10.876 869 HA ASN 110 HA ASN 110 18.105 -18.729 8.274 870 HB2 ASN 110 1HB ASN 110 19.822 -19.480 10.694 871 HB3 ASN 110 2HB ASN 110 20.445 -19.531 9.048 872 HD21 ASN 110 2HD2 ASN 110 19.183 -17.408 11.550 873 HD22 ASN 110 1HD2 ASN 110 19.862 -15.948 10.922 Start of MODEL 3 1 HA MET 1 HA MET 1 -4.518 15.264 -8.768 2 H1 MET 1 1H MET 1 -7.058 14.833 -7.328 3 H2 MET 1 2H MET 1 -6.830 14.691 -8.990 4 H3 MET 1 3H MET 1 -6.644 16.198 -8.236 5 HB2 MET 1 1HB MET 1 -4.670 16.656 -6.744 6 HB3 MET 1 2HB MET 1 -5.133 15.264 -5.778 7 HG2 MET 1 1HG MET 1 -2.905 14.260 -6.180 8 HG3 MET 1 2HG MET 1 -2.447 15.681 -7.121 9 HE1 MET 1 3HE MET 1 -2.347 18.486 -4.386 10 HE2 MET 1 1HE MET 1 -3.676 18.092 -5.479 11 HE3 MET 1 2HE MET 1 -2.014 18.089 -6.069 12 H LEU 2 H LEU 2 -5.573 13.222 -5.957 13 HA LEU 2 HA LEU 2 -3.927 11.076 -7.067 14 HG LEU 2 HG LEU 2 -6.020 9.812 -4.308 15 HB2 LEU 2 1HB LEU 2 -3.615 10.243 -4.973 16 HB3 LEU 2 2HB LEU 2 -3.857 11.935 -4.598 17 HD11 LEU 2 1HD1 LEU 2 -5.542 9.816 -1.921 18 HD12 LEU 2 2HD1 LEU 2 -4.218 10.960 -2.161 19 HD13 LEU 2 3HD1 LEU 2 -4.117 9.331 -2.834 20 HD21 LEU 2 3HD2 LEU 2 -7.177 11.448 -2.904 21 HD22 LEU 2 1HD2 LEU 2 -6.933 12.085 -4.529 22 HD23 LEU 2 2HD2 LEU 2 -5.906 12.636 -3.204 23 H GLU 3 H GLU 3 -7.186 11.789 -7.367 24 HA GLU 3 HA GLU 3 -8.446 9.360 -6.734 25 HB2 GLU 3 1HB GLU 3 -10.336 10.023 -8.130 26 HB3 GLU 3 2HB GLU 3 -9.766 11.390 -7.190 27 HG2 GLU 3 1HG GLU 3 -9.126 10.945 -10.122 28 HG3 GLU 3 2HG GLU 3 -10.452 11.943 -9.533 29 H ASP 4 H ASP 4 -6.739 10.325 -9.673 30 HA ASP 4 HA ASP 4 -7.319 7.890 -11.132 31 HB2 ASP 4 1HB ASP 4 -5.365 10.164 -11.677 32 HB3 ASP 4 2HB ASP 4 -5.627 8.813 -12.779 33 H TYR 5 H TYR 5 -4.979 8.774 -8.759 34 HA TYR 5 HA TYR 5 -3.020 6.716 -9.327 35 HD1 TYR 5 HD1 TYR 5 -3.189 9.624 -9.664 36 HD2 TYR 5 HD2 TYR 5 -0.292 8.524 -6.713 37 HE1 TYR 5 HE1 TYR 5 -1.609 11.251 -10.603 38 HE2 TYR 5 HE2 TYR 5 1.284 10.151 -7.661 39 HH TYR 5 HH TYR 5 1.686 11.323 -9.797 40 HB2 TYR 5 1HB TYR 5 -3.520 8.461 -6.874 41 HB3 TYR 5 2HB TYR 5 -2.268 7.230 -6.906 42 H ALA 6 H ALA 6 -6.194 6.564 -8.232 43 HA ALA 6 HA ALA 6 -6.078 4.355 -6.412 44 HB1 ALA 6 3HB ALA 6 -8.509 4.148 -6.818 45 HB2 ALA 6 1HB ALA 6 -8.390 5.294 -8.162 46 HB3 ALA 6 2HB ALA 6 -8.058 5.824 -6.515 47 H ILE 7 H ILE 7 -4.707 2.851 -7.335 48 HA ILE 7 HA ILE 7 -5.177 1.756 -9.977 49 HB ILE 7 HB ILE 7 -3.225 0.816 -7.822 50 HG12 ILE 7 1HG1 ILE 7 -2.892 2.824 -10.108 51 HG13 ILE 7 2HG1 ILE 7 -2.656 3.113 -8.391 52 HG21 ILE 7 1HG2 ILE 7 -3.709 -0.924 -9.514 53 HG22 ILE 7 2HG2 ILE 7 -2.054 -0.340 -9.660 54 HG23 ILE 7 3HG2 ILE 7 -3.280 0.200 -10.808 55 HD11 ILE 7 3HD1 ILE 7 -0.531 3.064 -9.419 56 HD12 ILE 7 1HD1 ILE 7 -0.886 1.558 -10.264 57 HD13 ILE 7 2HD1 ILE 7 -0.679 1.561 -8.514 58 H SER 8 H SER 8 -6.422 0.057 -10.423 59 HA SER 8 HA SER 8 -7.901 -1.360 -8.368 60 HG SER 8 HG SER 8 -8.649 0.348 -11.008 61 HB2 SER 8 1HB SER 8 -7.943 -1.689 -11.397 62 HB3 SER 8 2HB SER 8 -9.128 -2.335 -10.265 63 H LEU 9 H LEU 9 -7.958 -3.717 -8.223 64 HA LEU 9 HA LEU 9 -5.362 -4.889 -8.130 65 HG LEU 9 HG LEU 9 -6.620 -8.017 -7.986 66 HB2 LEU 9 1HB LEU 9 -7.082 -5.416 -6.476 67 HB3 LEU 9 2HB LEU 9 -8.111 -6.114 -7.714 68 HD11 LEU 9 1HD1 LEU 9 -4.574 -8.318 -6.634 69 HD12 LEU 9 2HD1 LEU 9 -4.740 -6.666 -6.030 70 HD13 LEU 9 3HD1 LEU 9 -4.449 -6.957 -7.746 71 HD21 LEU 9 3HD2 LEU 9 -8.249 -8.196 -6.165 72 HD22 LEU 9 1HD2 LEU 9 -7.100 -7.471 -5.035 73 HD23 LEU 9 2HD2 LEU 9 -6.766 -9.051 -5.750 74 H GLU 10 H GLU 10 -7.802 -4.895 -10.593 75 HA GLU 10 HA GLU 10 -6.587 -7.133 -12.067 76 HB2 GLU 10 1HB GLU 10 -8.562 -6.822 -13.641 77 HB3 GLU 10 2HB GLU 10 -8.949 -7.369 -12.021 78 HG2 GLU 10 1HG GLU 10 -9.097 -4.423 -12.601 79 HG3 GLU 10 2HG GLU 10 -10.364 -5.467 -13.234 80 H GLU 11 H GLU 11 -5.616 -4.142 -11.752 81 HA GLU 11 HA GLU 11 -4.532 -4.084 -14.507 82 HB2 GLU 11 1HB GLU 11 -4.678 -1.645 -14.629 83 HB3 GLU 11 2HB GLU 11 -6.289 -2.314 -14.377 84 HG2 GLU 11 1HG GLU 11 -6.228 -1.705 -12.022 85 HG3 GLU 11 2HG GLU 11 -4.564 -1.161 -12.159 86 H VAL 12 H VAL 12 -3.878 -4.368 -11.275 87 HA VAL 12 HA VAL 12 -1.691 -2.495 -11.006 88 HB VAL 12 HB VAL 12 -3.179 -3.160 -9.090 89 HG11 VAL 12 1HG1 VAL 12 -1.659 -5.786 -9.110 90 HG12 VAL 12 2HG1 VAL 12 -3.361 -5.566 -9.519 91 HG13 VAL 12 3HG1 VAL 12 -2.804 -5.251 -7.876 92 HG21 VAL 12 3HG2 VAL 12 -1.042 -2.053 -8.649 93 HG22 VAL 12 1HG2 VAL 12 -0.207 -3.611 -8.613 94 HG23 VAL 12 2HG2 VAL 12 -1.403 -3.218 -7.375 95 H ASN 13 H ASN 13 0.486 -2.949 -10.833 96 HA ASN 13 HA ASN 13 1.466 -5.714 -11.235 97 HB2 ASN 13 1HB ASN 13 2.725 -3.190 -12.438 98 HB3 ASN 13 2HB ASN 13 3.378 -4.821 -12.559 99 HD21 ASN 13 2HD2 ASN 13 0.944 -2.611 -13.731 100 HD22 ASN 13 1HD2 ASN 13 0.431 -3.576 -15.068 101 H PHE 14 H PHE 14 1.779 -5.956 -8.986 102 HA PHE 14 HA PHE 14 2.696 -3.958 -7.239 103 HD1 PHE 14 HD2 PHE 14 1.364 -3.933 -5.236 104 HD2 PHE 14 HD1 PHE 14 0.577 -7.819 -6.802 105 HE1 PHE 14 HE2 PHE 14 -0.975 -3.759 -4.512 106 HE2 PHE 14 HE1 PHE 14 -1.764 -7.637 -6.077 107 HZ PHE 14 HZ PHE 14 -2.543 -5.604 -4.934 108 HB2 PHE 14 1HB PHE 14 2.773 -6.980 -6.910 109 HB3 PHE 14 2HB PHE 14 3.219 -5.868 -5.627 110 H ASN 15 H ASN 15 4.536 -6.296 -9.140 111 HA ASN 15 HA ASN 15 7.067 -5.949 -7.904 112 HB2 ASN 15 1HB ASN 15 6.507 -6.717 -10.797 113 HB3 ASN 15 2HB ASN 15 8.024 -6.964 -9.938 114 HD21 ASN 15 2HD2 ASN 15 6.485 -8.956 -11.243 115 HD22 ASN 15 1HD2 ASN 15 5.951 -10.091 -10.056 116 H ASP 16 H ASP 16 5.322 -4.056 -10.234 117 HA ASP 16 HA ASP 16 7.491 -2.572 -11.356 118 HB2 ASP 16 1HB ASP 16 5.225 -2.979 -12.453 119 HB3 ASP 16 2HB ASP 16 4.532 -1.845 -11.310 120 H PHE 17 H PHE 17 5.522 -2.193 -8.463 121 HA PHE 17 HA PHE 17 6.632 0.539 -7.989 122 HD1 PHE 17 HD2 PHE 17 4.549 1.699 -9.668 123 HD2 PHE 17 HD1 PHE 17 2.375 -1.375 -7.668 124 HE1 PHE 17 HE2 PHE 17 2.979 1.580 -11.549 125 HE2 PHE 17 HE1 PHE 17 0.807 -1.490 -9.558 126 HZ PHE 17 HZ PHE 17 1.113 -0.023 -11.506 127 HB2 PHE 17 1HB PHE 17 4.132 -0.318 -6.536 128 HB3 PHE 17 2HB PHE 17 4.628 1.280 -7.039 129 H ILE 18 H ILE 18 7.643 0.877 -5.948 130 HA ILE 18 HA ILE 18 8.171 -1.287 -4.147 131 HB ILE 18 HB ILE 18 8.307 1.711 -3.549 132 HG12 ILE 18 1HG1 ILE 18 10.574 -0.121 -4.477 133 HG13 ILE 18 2HG1 ILE 18 9.777 1.085 -5.483 134 HG21 ILE 18 1HG2 ILE 18 9.617 -0.621 -2.090 135 HG22 ILE 18 2HG2 ILE 18 8.266 0.345 -1.500 136 HG23 ILE 18 3HG2 ILE 18 9.849 1.089 -1.707 137 HD11 ILE 18 3HD1 ILE 18 11.911 1.891 -4.688 138 HD12 ILE 18 1HD1 ILE 18 11.426 1.633 -3.014 139 HD13 ILE 18 2HD1 ILE 18 10.610 2.856 -3.994 140 H VAL 19 H VAL 19 6.512 -2.252 -3.031 141 HA VAL 19 HA VAL 19 3.991 -0.811 -2.704 142 HB VAL 19 HB VAL 19 4.559 -3.686 -1.828 143 HG11 VAL 19 1HG1 VAL 19 2.139 -4.012 -2.237 144 HG12 VAL 19 2HG1 VAL 19 1.982 -2.305 -2.657 145 HG13 VAL 19 3HG1 VAL 19 2.443 -2.771 -1.018 146 HG21 VAL 19 3HG2 VAL 19 3.685 -2.798 -4.606 147 HG22 VAL 19 1HG2 VAL 19 3.769 -4.467 -4.032 148 HG23 VAL 19 2HG2 VAL 19 5.242 -3.510 -4.185 149 H VAL 20 H VAL 20 2.979 -0.463 -0.681 150 HA VAL 20 HA VAL 20 4.500 -0.935 1.796 151 HB VAL 20 HB VAL 20 3.149 1.693 1.001 152 HG11 VAL 20 1HG1 VAL 20 2.540 1.191 3.333 153 HG12 VAL 20 2HG1 VAL 20 3.651 2.555 3.259 154 HG13 VAL 20 3HG1 VAL 20 4.241 0.964 3.750 155 HG21 VAL 20 3HG2 VAL 20 5.473 1.449 0.196 156 HG22 VAL 20 1HG2 VAL 20 6.026 1.134 1.840 157 HG23 VAL 20 2HG2 VAL 20 5.358 2.712 1.416 158 H ASP 21 H ASP 21 3.307 -2.045 3.192 159 HA ASP 21 HA ASP 21 0.434 -2.401 2.871 160 HB2 ASP 21 1HB ASP 21 2.109 -4.236 3.612 161 HB3 ASP 21 2HB ASP 21 2.230 -3.394 5.151 162 H VAL 22 H VAL 22 -0.715 -0.556 3.464 163 HA VAL 22 HA VAL 22 0.046 0.900 5.934 164 HB VAL 22 HB VAL 22 -1.640 2.659 5.139 165 HG11 VAL 22 1HG1 VAL 22 0.794 2.977 4.937 166 HG12 VAL 22 2HG1 VAL 22 -0.038 3.687 3.556 167 HG13 VAL 22 3HG1 VAL 22 0.797 2.143 3.382 168 HG21 VAL 22 3HG2 VAL 22 -1.457 1.102 2.508 169 HG22 VAL 22 1HG2 VAL 22 -2.248 2.668 2.732 170 HG23 VAL 22 2HG2 VAL 22 -2.899 1.226 3.529 171 H ARG 23 H ARG 23 -0.748 -0.637 7.368 172 HA ARG 23 HA ARG 23 -3.640 -0.478 7.837 173 HE ARG 23 HE ARG 23 -2.214 -4.592 5.214 174 HB2 ARG 23 1HB ARG 23 -2.216 -3.142 7.402 175 HB3 ARG 23 2HB ARG 23 -3.805 -2.991 8.140 176 HG2 ARG 23 1HG ARG 23 -4.659 -1.988 6.003 177 HG3 ARG 23 2HG ARG 23 -3.077 -2.262 5.273 178 HD2 ARG 23 1HD ARG 23 -4.883 -4.439 6.394 179 HD3 ARG 23 2HD ARG 23 -4.762 -4.005 4.691 180 HH11 ARG 23 1HH1 ARG 23 -5.052 -6.390 6.305 181 HH12 ARG 23 2HH1 ARG 23 -4.261 -7.928 6.160 182 HH21 ARG 23 1HH2 ARG 23 -1.236 -6.599 5.030 183 HH22 ARG 23 2HH2 ARG 23 -2.099 -8.046 5.444 184 H GLU 24 H GLU 24 -1.188 -2.741 9.120 185 HA GLU 24 HA GLU 24 -0.752 -1.472 11.623 186 HB2 GLU 24 1HB GLU 24 -3.357 -2.396 11.498 187 HB3 GLU 24 2HB GLU 24 -2.580 -3.848 12.087 188 HG2 GLU 24 1HG GLU 24 -2.433 -1.145 13.459 189 HG3 GLU 24 2HG GLU 24 -3.611 -2.390 13.853 190 H LEU 25 H LEU 25 0.434 -2.979 13.117 191 HA LEU 25 HA LEU 25 2.270 -4.720 11.968 192 HG LEU 25 HG LEU 25 2.447 -6.738 14.526 193 HB2 LEU 25 1HB LEU 25 2.620 -3.716 14.163 194 HB3 LEU 25 2HB LEU 25 1.226 -4.553 14.821 195 HD11 LEU 25 1HD1 LEU 25 4.821 -5.007 13.782 196 HD12 LEU 25 2HD1 LEU 25 3.973 -6.130 12.717 197 HD13 LEU 25 3HD1 LEU 25 4.865 -6.742 14.106 198 HD21 LEU 25 3HD2 LEU 25 4.010 -6.429 16.424 199 HD22 LEU 25 1HD2 LEU 25 2.459 -5.644 16.717 200 HD23 LEU 25 2HD2 LEU 25 3.865 -4.679 16.257 201 H ASP 26 H ASP 26 -0.742 -5.517 13.742 202 HA ASP 26 HA ASP 26 -0.609 -8.312 13.637 203 HB2 ASP 26 1HB ASP 26 -2.157 -7.039 15.094 204 HB3 ASP 26 2HB ASP 26 -3.074 -6.520 13.686 205 H GLU 27 H GLU 27 -1.896 -6.008 11.336 206 HA GLU 27 HA GLU 27 -3.154 -7.763 9.494 207 HB2 GLU 27 1HB GLU 27 -1.991 -4.975 9.164 208 HB3 GLU 27 2HB GLU 27 -3.009 -5.767 7.971 209 HG2 GLU 27 1HG GLU 27 -3.902 -5.183 10.803 210 HG3 GLU 27 2HG GLU 27 -4.155 -4.089 9.448 211 H TYR 28 H TYR 28 0.112 -6.388 9.666 212 HA TYR 28 HA TYR 28 1.209 -7.488 7.298 213 HD1 TYR 28 HD1 TYR 28 4.261 -8.350 10.050 214 HD2 TYR 28 HD2 TYR 28 3.859 -5.849 6.607 215 HE1 TYR 28 HE1 TYR 28 6.531 -8.921 9.367 216 HE2 TYR 28 HE2 TYR 28 6.146 -6.440 5.923 217 HH TYR 28 HH TYR 28 7.816 -9.028 7.203 218 HB2 TYR 28 1HB TYR 28 2.273 -5.649 8.482 219 HB3 TYR 28 2HB TYR 28 2.465 -6.625 9.928 220 H GLU 29 H GLU 29 0.931 -8.682 10.608 221 HA GLU 29 HA GLU 29 2.671 -10.909 10.455 222 HB2 GLU 29 1HB GLU 29 0.379 -10.337 12.375 223 HB3 GLU 29 2HB GLU 29 1.581 -11.591 12.621 224 HG2 GLU 29 1HG GLU 29 2.271 -8.648 12.427 225 HG3 GLU 29 2HG GLU 29 1.888 -9.444 13.946 226 H GLU 30 H GLU 30 -0.867 -10.608 9.996 227 HA GLU 30 HA GLU 30 -1.374 -13.407 9.758 228 HB2 GLU 30 1HB GLU 30 -3.581 -12.677 8.676 229 HB3 GLU 30 2HB GLU 30 -3.299 -12.152 10.325 230 HG2 GLU 30 1HG GLU 30 -2.916 -9.912 9.666 231 HG3 GLU 30 2HG GLU 30 -2.703 -10.355 7.977 232 H LEU 31 H LEU 31 -1.031 -10.845 7.259 233 HA LEU 31 HA LEU 31 0.422 -12.428 5.459 234 HG LEU 31 HG LEU 31 -3.668 -12.909 4.155 235 HB2 LEU 31 1HB LEU 31 -1.083 -12.946 3.680 236 HB3 LEU 31 2HB LEU 31 -1.737 -13.626 5.141 237 HD11 LEU 31 1HD1 LEU 31 -4.559 -10.847 5.084 238 HD12 LEU 31 2HD1 LEU 31 -2.936 -10.357 5.577 239 HD13 LEU 31 3HD1 LEU 31 -3.681 -11.789 6.287 240 HD21 LEU 31 3HD2 LEU 31 -4.001 -11.029 2.691 241 HD22 LEU 31 1HD2 LEU 31 -2.647 -12.007 2.139 242 HD23 LEU 31 2HD2 LEU 31 -2.349 -10.474 2.966 243 H HIS 32 H HIS 32 1.067 -11.309 3.568 244 HA HIS 32 HA HIS 32 0.118 -8.741 2.773 245 HD1 HIS 32 HD1 HIS 32 2.641 -10.475 5.560 246 HD2 HIS 32 HD2 HIS 32 4.639 -7.424 3.582 247 HE1 HIS 32 HE1 HIS 32 5.079 -11.039 5.684 248 HE2 HIS 32 HE2 HIS 32 6.264 -9.090 4.675 249 HB2 HIS 32 1HB HIS 32 1.930 -7.291 3.572 250 HB3 HIS 32 2HB HIS 32 1.232 -8.100 4.976 251 H LEU 33 H LEU 33 1.976 -7.688 1.307 252 HA LEU 33 HA LEU 33 3.028 -9.752 -0.472 253 HG LEU 33 HG LEU 33 0.838 -8.101 -1.076 254 HB2 LEU 33 1HB LEU 33 3.020 -6.718 -0.572 255 HB3 LEU 33 2HB LEU 33 3.742 -7.712 -1.828 256 HD11 LEU 33 1HD1 LEU 33 0.171 -6.514 -2.830 257 HD12 LEU 33 2HD1 LEU 33 1.857 -6.042 -3.045 258 HD13 LEU 33 3HD1 LEU 33 1.035 -5.714 -1.517 259 HD21 LEU 33 3HD2 LEU 33 2.345 -8.567 -3.673 260 HD22 LEU 33 1HD2 LEU 33 0.634 -8.907 -3.392 261 HD23 LEU 33 2HD2 LEU 33 1.867 -9.811 -2.516 262 HA PRO 34 HA PRO 34 7.193 -9.605 1.283 263 HB2 PRO 34 1HB PRO 34 8.666 -10.550 -0.846 264 HB3 PRO 34 2HB PRO 34 7.644 -11.592 0.151 265 HG2 PRO 34 1HG PRO 34 7.061 -10.379 -2.539 266 HG3 PRO 34 2HG PRO 34 6.707 -12.020 -1.948 267 HD2 PRO 34 1HD PRO 34 4.828 -10.030 -2.063 268 HD3 PRO 34 2HD PRO 34 4.767 -11.337 -0.865 269 H ASN 35 H ASN 35 6.223 -7.843 -1.509 270 HA ASN 35 HA ASN 35 8.563 -6.094 -1.633 271 HB2 ASN 35 1HB ASN 35 5.974 -6.096 -3.259 272 HB3 ASN 35 2HB ASN 35 7.384 -5.094 -3.587 273 HD21 ASN 35 2HD2 ASN 35 6.058 -8.323 -3.760 274 HD22 ASN 35 1HD2 ASN 35 7.284 -8.993 -4.773 275 H ALA 36 H ALA 36 6.047 -6.284 0.449 276 HA ALA 36 HA ALA 36 5.213 -3.462 0.410 277 HB1 ALA 36 3HB ALA 36 4.024 -5.780 1.962 278 HB2 ALA 36 1HB ALA 36 3.407 -5.127 0.445 279 HB3 ALA 36 2HB ALA 36 3.381 -4.136 1.905 280 H THR 37 H THR 37 6.114 -2.060 1.750 281 HA THR 37 HA THR 37 7.761 -2.766 4.022 282 HB THR 37 HB THR 37 6.791 -0.043 3.007 283 HG1 THR 37 HG1 THR 37 8.168 -1.404 1.593 284 HG21 THR 37 3HG2 THR 37 7.559 0.111 5.354 285 HG22 THR 37 1HG2 THR 37 8.691 0.917 4.267 286 HG23 THR 37 2HG2 THR 37 9.077 -0.675 4.919 287 H LEU 38 H LEU 38 7.075 -2.853 6.148 288 HA LEU 38 HA LEU 38 4.306 -2.639 6.868 289 HG LEU 38 HG LEU 38 4.103 -4.455 8.876 290 HB2 LEU 38 1HB LEU 38 6.293 -4.055 7.946 291 HB3 LEU 38 2HB LEU 38 6.533 -2.627 8.927 292 HD11 LEU 38 1HD1 LEU 38 4.616 -4.887 11.215 293 HD12 LEU 38 2HD1 LEU 38 6.004 -3.799 11.134 294 HD13 LEU 38 3HD1 LEU 38 5.985 -5.286 10.181 295 HD21 LEU 38 3HD2 LEU 38 3.216 -2.191 9.095 296 HD22 LEU 38 1HD2 LEU 38 4.310 -1.872 10.444 297 HD23 LEU 38 2HD2 LEU 38 3.032 -3.084 10.602 298 H ILE 39 H ILE 39 3.425 -0.632 6.752 299 HA ILE 39 HA ILE 39 4.353 1.352 8.729 300 HB ILE 39 HB ILE 39 3.458 2.058 5.880 301 HG12 ILE 39 1HG1 ILE 39 6.118 2.613 7.296 302 HG13 ILE 39 2HG1 ILE 39 5.869 1.386 6.068 303 HG21 ILE 39 1HG2 ILE 39 4.054 3.958 8.188 304 HG22 ILE 39 2HG2 ILE 39 2.468 3.649 7.483 305 HG23 ILE 39 3HG2 ILE 39 3.714 4.442 6.523 306 HD11 ILE 39 3HD1 ILE 39 7.014 3.307 5.156 307 HD12 ILE 39 1HD1 ILE 39 5.707 4.372 5.664 308 HD13 ILE 39 2HD1 ILE 39 5.422 3.160 4.417 309 H SER 40 H SER 40 2.655 2.211 9.902 310 HA SER 40 HA SER 40 -0.019 1.092 9.402 311 HG SER 40 HG SER 40 -1.027 1.140 12.406 312 HB2 SER 40 1HB SER 40 0.947 0.980 11.718 313 HB3 SER 40 2HB SER 40 0.925 2.744 11.777 314 H VAL 41 H VAL 41 -1.739 2.332 8.823 315 HA VAL 41 HA VAL 41 -1.586 4.664 7.404 316 HB VAL 41 HB VAL 41 -3.509 3.137 7.335 317 HG11 VAL 41 1HG1 VAL 41 -4.294 4.218 10.069 318 HG12 VAL 41 2HG1 VAL 41 -3.729 2.585 9.712 319 HG13 VAL 41 3HG1 VAL 41 -5.272 3.144 9.067 320 HG21 VAL 41 3HG2 VAL 41 -3.846 5.399 6.439 321 HG22 VAL 41 1HG2 VAL 41 -4.363 5.980 8.025 322 HG23 VAL 41 2HG2 VAL 41 -5.342 4.800 7.151 323 H ASN 42 H ASN 42 -1.780 4.420 10.940 324 HA ASN 42 HA ASN 42 -2.595 7.164 11.375 325 HB2 ASN 42 1HB ASN 42 -2.479 6.741 13.700 326 HB3 ASN 42 2HB ASN 42 -2.985 5.208 13.013 327 HD21 ASN 42 2HD2 ASN 42 -1.502 3.467 13.028 328 HD22 ASN 42 1HD2 ASN 42 -0.118 3.456 14.058 329 H ASP 43 H ASP 43 0.451 5.564 10.896 330 HA ASP 43 HA ASP 43 2.102 7.643 12.064 331 HB2 ASP 43 1HB ASP 43 2.785 5.107 10.518 332 HB3 ASP 43 2HB ASP 43 4.014 6.261 11.021 333 H GLN 44 H GLN 44 1.344 9.447 10.842 334 HA GLN 44 HA GLN 44 1.958 9.732 8.058 335 HB2 GLN 44 1HB GLN 44 1.455 11.757 10.273 336 HB3 GLN 44 2HB GLN 44 1.953 12.273 8.668 337 HG2 GLN 44 1HG GLN 44 -0.424 12.487 8.792 338 HG3 GLN 44 2HG GLN 44 -0.055 11.151 7.711 339 HE21 GLN 44 2HE2 GLN 44 -0.508 9.009 8.417 340 HE22 GLN 44 1HE2 GLN 44 -1.608 8.706 9.714 341 H GLU 45 H GLU 45 3.745 10.074 11.058 342 HA GLU 45 HA GLU 45 6.025 11.407 10.062 343 HB2 GLU 45 1HB GLU 45 7.155 10.550 12.148 344 HB3 GLU 45 2HB GLU 45 5.655 11.431 12.417 345 HG2 GLU 45 1HG GLU 45 4.457 9.277 12.700 346 HG3 GLU 45 2HG GLU 45 5.981 8.418 12.482 347 H LYS 46 H LYS 46 5.445 7.886 10.515 348 HA LYS 46 HA LYS 46 8.018 7.086 9.536 349 HB2 LYS 46 1HB LYS 46 6.810 5.624 11.062 350 HB3 LYS 46 2HB LYS 46 5.452 5.512 9.961 351 HG2 LYS 46 1HG LYS 46 6.579 3.437 9.833 352 HG3 LYS 46 2HG LYS 46 6.974 4.277 8.344 353 HD2 LYS 46 1HD LYS 46 8.887 4.391 10.690 354 HD3 LYS 46 2HD LYS 46 8.832 2.951 9.682 355 HE2 LYS 46 1HE LYS 46 9.369 4.340 7.697 356 HE3 LYS 46 2HE LYS 46 9.474 5.763 8.734 357 HZ1 LYS 46 3HZ LYS 46 11.193 3.348 8.947 358 HZ2 LYS 46 1HZ LYS 46 11.312 4.735 9.908 359 HZ3 LYS 46 2HZ LYS 46 11.650 4.825 8.252 360 H LEU 47 H LEU 47 4.797 7.369 8.071 361 HA LEU 47 HA LEU 47 5.411 6.134 5.597 362 HG LEU 47 HG LEU 47 3.341 7.770 3.751 363 HB2 LEU 47 1HB LEU 47 3.123 6.543 6.531 364 HB3 LEU 47 2HB LEU 47 3.304 8.244 6.167 365 HD11 LEU 47 1HD1 LEU 47 4.456 5.579 3.732 366 HD12 LEU 47 2HD1 LEU 47 2.935 5.513 2.848 367 HD13 LEU 47 3HD1 LEU 47 3.037 4.832 4.473 368 HD21 LEU 47 3HD2 LEU 47 1.027 6.387 5.152 369 HD22 LEU 47 1HD2 LEU 47 1.023 6.999 3.494 370 HD23 LEU 47 2HD2 LEU 47 1.168 8.120 4.842 371 H ALA 48 H ALA 48 5.269 9.560 6.553 372 HA ALA 48 HA ALA 48 6.185 10.644 4.085 373 HB1 ALA 48 3HB ALA 48 6.200 11.905 6.840 374 HB2 ALA 48 1HB ALA 48 4.856 11.943 5.694 375 HB3 ALA 48 2HB ALA 48 6.374 12.757 5.302 376 H ASP 49 H ASP 49 7.829 9.433 6.969 377 HA ASP 49 HA ASP 49 10.431 10.438 6.521 378 HB2 ASP 49 1HB ASP 49 9.900 9.341 8.642 379 HB3 ASP 49 2HB ASP 49 9.524 7.833 7.818 380 H PHE 50 H PHE 50 8.926 7.370 5.572 381 HA PHE 50 HA PHE 50 11.006 6.247 4.068 382 HD1 PHE 50 HD1 PHE 50 10.856 3.492 3.909 383 HD2 PHE 50 HD2 PHE 50 7.658 5.055 1.530 384 HE1 PHE 50 HE1 PHE 50 11.257 1.754 2.213 385 HE2 PHE 50 HE2 PHE 50 8.069 3.309 -0.155 386 HZ PHE 50 HZ PHE 50 9.870 1.664 0.183 387 HB2 PHE 50 1HB PHE 50 9.009 5.006 4.877 388 HB3 PHE 50 2HB PHE 50 7.991 5.893 3.753 389 H LEU 51 H LEU 51 8.399 8.440 3.146 390 HA LEU 51 HA LEU 51 9.034 8.518 0.341 391 HG LEU 51 HG LEU 51 6.341 8.094 2.076 392 HB2 LEU 51 1HB LEU 51 7.292 10.398 1.967 393 HB3 LEU 51 2HB LEU 51 7.337 10.293 0.215 394 HD11 LEU 51 1HD1 LEU 51 4.103 8.634 1.226 395 HD12 LEU 51 2HD1 LEU 51 4.773 9.985 0.310 396 HD13 LEU 51 3HD1 LEU 51 4.830 9.996 2.074 397 HD21 LEU 51 3HD2 LEU 51 6.284 8.201 -0.958 398 HD22 LEU 51 1HD2 LEU 51 5.492 6.980 0.045 399 HD23 LEU 51 2HD2 LEU 51 7.247 7.105 0.037 400 H SER 52 H SER 52 10.168 10.246 3.149 401 HA SER 52 HA SER 52 11.212 12.551 1.733 402 HG SER 52 HG SER 52 12.553 13.847 3.132 403 HB2 SER 52 1HB SER 52 10.457 12.735 4.091 404 HB3 SER 52 2HB SER 52 11.734 11.627 4.591 405 H GLN 53 H GLN 53 12.388 9.381 2.614 406 HA GLN 53 HA GLN 53 15.188 9.777 2.553 407 HB2 GLN 53 1HB GLN 53 13.674 7.266 1.709 408 HB3 GLN 53 2HB GLN 53 15.367 7.344 2.191 409 HG2 GLN 53 1HG GLN 53 12.969 7.862 3.966 410 HG3 GLN 53 2HG GLN 53 13.970 6.418 3.971 411 HE21 GLN 53 2HE2 GLN 53 13.360 8.372 6.117 412 HE22 GLN 53 1HE2 GLN 53 14.894 8.906 6.702 413 H HIS 54 H HIS 54 12.846 9.200 0.056 414 HA HIS 54 HA HIS 54 14.373 10.420 -2.040 415 HD1 HIS 54 HD1 HIS 54 15.576 6.162 -1.479 416 HD2 HIS 54 HD2 HIS 54 16.651 9.550 -3.629 417 HE1 HIS 54 HE1 HIS 54 18.072 6.095 -1.642 418 HE2 HIS 54 HE2 HIS 54 18.707 8.255 -2.761 419 HB2 HIS 54 1HB HIS 54 13.582 7.457 -2.225 420 HB3 HIS 54 2HB HIS 54 13.841 8.438 -3.669 421 H LYS 55 H LYS 55 12.754 11.816 -2.634 422 HA LYS 55 HA LYS 55 9.951 11.125 -2.372 423 HB2 LYS 55 1HB LYS 55 11.192 13.608 -3.633 424 HB3 LYS 55 2HB LYS 55 9.483 13.381 -3.263 425 HG2 LYS 55 1HG LYS 55 10.152 13.084 -0.821 426 HG3 LYS 55 2HG LYS 55 11.773 13.606 -1.286 427 HD2 LYS 55 1HD LYS 55 9.215 15.228 -1.569 428 HD3 LYS 55 2HD LYS 55 10.469 15.476 -0.354 429 HE2 LYS 55 1HE LYS 55 12.082 16.048 -2.145 430 HE3 LYS 55 2HE LYS 55 10.817 15.813 -3.354 431 HZ1 LYS 55 3HZ LYS 55 10.873 17.860 -1.213 432 HZ2 LYS 55 1HZ LYS 55 9.547 17.580 -2.224 433 HZ3 LYS 55 2HZ LYS 55 11.008 18.120 -2.878 434 H ASP 56 H ASP 56 12.242 11.553 -5.042 435 HA ASP 56 HA ASP 56 10.379 10.719 -7.082 436 HB2 ASP 56 1HB ASP 56 13.377 11.229 -7.066 437 HB3 ASP 56 2HB ASP 56 12.600 10.482 -8.460 438 H LYS 57 H LYS 57 9.616 8.793 -6.031 439 HA LYS 57 HA LYS 57 10.774 6.567 -7.416 440 HB2 LYS 57 1HB LYS 57 11.199 5.040 -5.679 441 HB3 LYS 57 2HB LYS 57 11.925 6.530 -5.114 442 HG2 LYS 57 1HG LYS 57 9.347 5.270 -4.156 443 HG3 LYS 57 2HG LYS 57 10.866 5.403 -3.269 444 HD2 LYS 57 1HD LYS 57 10.597 7.904 -3.351 445 HD3 LYS 57 2HD LYS 57 9.001 7.661 -4.057 446 HE2 LYS 57 1HE LYS 57 8.806 8.067 -1.669 447 HE3 LYS 57 2HE LYS 57 8.313 6.417 -2.033 448 HZ1 LYS 57 3HZ LYS 57 10.505 5.660 -1.289 449 HZ2 LYS 57 1HZ LYS 57 9.696 6.506 -0.066 450 HZ3 LYS 57 2HZ LYS 57 10.937 7.252 -0.930 451 H LYS 58 H LYS 58 9.226 4.715 -7.463 452 HA LYS 58 HA LYS 58 6.461 5.759 -7.463 453 HB2 LYS 58 1HB LYS 58 7.631 4.811 -9.539 454 HB3 LYS 58 2HB LYS 58 7.444 3.220 -8.794 455 HG2 LYS 58 1HG LYS 58 5.100 3.264 -8.987 456 HG3 LYS 58 2HG LYS 58 5.041 5.020 -9.156 457 HD2 LYS 58 1HD LYS 58 4.566 3.833 -11.293 458 HD3 LYS 58 2HD LYS 58 5.968 4.900 -11.385 459 HE2 LYS 58 1HE LYS 58 7.482 2.987 -11.191 460 HE3 LYS 58 2HE LYS 58 6.114 1.892 -10.975 461 HZ1 LYS 58 3HZ LYS 58 5.382 2.387 -13.196 462 HZ2 LYS 58 1HZ LYS 58 6.990 1.858 -13.233 463 HZ3 LYS 58 2HZ LYS 58 6.638 3.502 -13.413 464 H VAL 59 H VAL 59 5.470 5.330 -5.532 465 HA VAL 59 HA VAL 59 5.785 2.642 -4.309 466 HB VAL 59 HB VAL 59 5.572 5.363 -2.963 467 HG11 VAL 59 1HG1 VAL 59 5.425 4.226 -0.764 468 HG12 VAL 59 2HG1 VAL 59 5.229 2.674 -1.587 469 HG13 VAL 59 3HG1 VAL 59 4.000 3.924 -1.757 470 HG21 VAL 59 3HG2 VAL 59 7.630 4.656 -1.820 471 HG22 VAL 59 1HG2 VAL 59 7.823 4.557 -3.569 472 HG23 VAL 59 2HG2 VAL 59 7.562 3.088 -2.630 473 H LEU 60 H LEU 60 4.027 1.554 -3.622 474 HA LEU 60 HA LEU 60 1.345 2.638 -4.294 475 HG LEU 60 HG LEU 60 -0.119 -0.037 -4.085 476 HB2 LEU 60 1HB LEU 60 2.158 0.902 -5.873 477 HB3 LEU 60 2HB LEU 60 2.395 -0.206 -4.531 478 HD11 LEU 60 1HD1 LEU 60 -1.546 0.716 -5.943 479 HD12 LEU 60 2HD1 LEU 60 -0.120 1.305 -6.798 480 HD13 LEU 60 3HD1 LEU 60 -0.593 2.033 -5.262 481 HD21 LEU 60 3HD2 LEU 60 0.741 -1.208 -6.743 482 HD22 LEU 60 1HD2 LEU 60 -0.712 -1.637 -5.838 483 HD23 LEU 60 2HD2 LEU 60 0.877 -1.991 -5.168 484 H LEU 61 H LEU 61 0.383 3.061 -2.365 485 HA LEU 61 HA LEU 61 0.810 1.490 0.039 486 HG LEU 61 HG LEU 61 1.226 3.668 1.531 487 HB2 LEU 61 1HB LEU 61 -0.901 3.909 -0.643 488 HB3 LEU 61 2HB LEU 61 -1.074 3.088 0.896 489 HD11 LEU 61 1HD1 LEU 61 1.476 5.046 -1.153 490 HD12 LEU 61 2HD1 LEU 61 2.345 3.601 -0.632 491 HD13 LEU 61 3HD1 LEU 61 2.643 5.138 0.172 492 HD21 LEU 61 3HD2 LEU 61 -0.552 5.293 2.028 493 HD22 LEU 61 1HD2 LEU 61 -0.252 6.106 0.490 494 HD23 LEU 61 2HD2 LEU 61 0.989 6.092 1.745 495 H HIS 62 H HIS 62 -0.055 -0.593 -0.211 496 HA HIS 62 HA HIS 62 -2.767 -0.890 -1.310 497 HD1 HIS 62 HD1 HIS 62 -2.405 -5.098 -0.122 498 HD2 HIS 62 HD2 HIS 62 1.021 -2.825 0.411 499 HE1 HIS 62 HE1 HIS 62 -0.962 -6.409 1.456 500 HE2 HIS 62 HE2 HIS 62 0.913 -4.847 2.004 501 HB2 HIS 62 1HB HIS 62 -2.343 -3.163 -1.675 502 HB3 HIS 62 2HB HIS 62 -0.766 -2.437 -1.950 503 H CYS 63 H CYS 63 -4.493 -1.692 -0.206 504 HA CYS 63 HA CYS 63 -4.278 -2.116 2.729 505 HG CYS 63 HG CYS 63 -6.308 -0.960 4.602 506 HB2 CYS 63 1HB CYS 63 -5.060 0.162 2.407 507 HB3 CYS 63 2HB CYS 63 -6.266 -0.364 1.238 508 H ARG 64 H ARG 64 -6.006 -3.370 3.638 509 HA ARG 64 HA ARG 64 -6.610 -5.729 2.193 510 HE ARG 64 HE ARG 64 -9.093 -6.021 6.630 511 HB2 ARG 64 1HB ARG 64 -6.335 -5.672 4.648 512 HB3 ARG 64 2HB ARG 64 -7.802 -4.717 4.814 513 HG2 ARG 64 1HG ARG 64 -9.195 -6.545 4.239 514 HG3 ARG 64 2HG ARG 64 -7.855 -7.455 3.543 515 HD2 ARG 64 1HD ARG 64 -8.343 -8.501 5.614 516 HD3 ARG 64 2HD ARG 64 -6.867 -7.576 5.881 517 HH11 ARG 64 1HH1 ARG 64 -7.144 -8.713 7.791 518 HH12 ARG 64 2HH1 ARG 64 -7.735 -8.589 9.413 519 HH21 ARG 64 1HH2 ARG 64 -9.844 -5.871 8.762 520 HH22 ARG 64 2HH2 ARG 64 -9.266 -6.979 9.967 521 H ALA 65 H ALA 65 -8.672 -3.034 3.213 522 HA ALA 65 HA ALA 65 -10.848 -3.870 1.425 523 HB1 ALA 65 3HB ALA 65 -12.117 -2.024 2.457 524 HB2 ALA 65 1HB ALA 65 -10.679 -1.517 3.348 525 HB3 ALA 65 2HB ALA 65 -11.427 -3.077 3.691 526 H GLY 66 H GLY 66 -8.829 -0.976 1.980 527 HA2 GLY 66 1HA GLY 66 -7.815 -0.026 -0.173 528 HA3 GLY 66 2HA GLY 66 -9.483 0.057 -0.729 529 H ARG 67 H ARG 67 -10.075 0.638 2.270 530 HA ARG 67 HA ARG 67 -10.500 3.395 2.084 531 HE ARG 67 HE ARG 67 -10.167 5.680 4.030 532 HB2 ARG 67 1HB ARG 67 -11.797 1.903 3.553 533 HB3 ARG 67 2HB ARG 67 -10.376 1.589 4.533 534 HG2 ARG 67 1HG ARG 67 -11.928 3.111 5.651 535 HG3 ARG 67 2HG ARG 67 -10.378 3.890 5.350 536 HD2 ARG 67 1HD ARG 67 -12.591 4.292 3.340 537 HD3 ARG 67 2HD ARG 67 -12.683 5.147 4.879 538 HH11 ARG 67 1HH1 ARG 67 -13.242 6.025 2.376 539 HH12 ARG 67 2HH1 ARG 67 -12.788 7.504 1.590 540 HH21 ARG 67 1HH2 ARG 67 -9.591 7.616 3.034 541 HH22 ARG 67 2HH2 ARG 67 -10.709 8.418 1.974 542 H ARG 68 H ARG 68 -8.015 1.623 3.978 543 HA ARG 68 HA ARG 68 -6.775 4.026 4.979 544 HE ARG 68 HE ARG 68 -8.569 1.739 8.780 545 HB2 ARG 68 1HB ARG 68 -5.675 1.184 5.041 546 HB3 ARG 68 2HB ARG 68 -5.142 2.544 6.031 547 HG2 ARG 68 1HG ARG 68 -7.834 1.171 6.143 548 HG3 ARG 68 2HG ARG 68 -6.552 1.082 7.340 549 HD2 ARG 68 1HD ARG 68 -6.814 3.475 7.845 550 HD3 ARG 68 2HD ARG 68 -8.049 3.624 6.595 551 HH11 ARG 68 1HH1 ARG 68 -9.260 4.896 7.375 552 HH12 ARG 68 2HH1 ARG 68 -10.642 5.177 8.387 553 HH21 ARG 68 1HH2 ARG 68 -10.389 2.131 10.096 554 HH22 ARG 68 2HH2 ARG 68 -11.281 3.609 9.924 555 H ALA 69 H ALA 69 -6.303 2.002 2.221 556 HA ALA 69 HA ALA 69 -3.774 2.822 1.298 557 HB1 ALA 69 3HB ALA 69 -4.608 2.233 -0.958 558 HB2 ALA 69 1HB ALA 69 -6.262 2.192 -0.349 559 HB3 ALA 69 2HB ALA 69 -5.079 1.016 0.222 560 H LEU 70 H LEU 70 -6.999 4.138 0.590 561 HA LEU 70 HA LEU 70 -6.204 6.460 -0.784 562 HG LEU 70 HG LEU 70 -8.791 8.255 0.322 563 HB2 LEU 70 1HB LEU 70 -8.455 5.508 -0.958 564 HB3 LEU 70 2HB LEU 70 -8.761 5.826 0.740 565 HD11 LEU 70 1HD1 LEU 70 -7.146 8.398 -1.502 566 HD12 LEU 70 2HD1 LEU 70 -8.650 9.208 -1.925 567 HD13 LEU 70 3HD1 LEU 70 -8.290 7.620 -2.602 568 HD21 LEU 70 3HD2 LEU 70 -10.565 6.745 -1.629 569 HD22 LEU 70 1HD2 LEU 70 -10.835 8.393 -1.048 570 HD23 LEU 70 2HD2 LEU 70 -10.908 7.041 0.077 571 H ASP 71 H ASP 71 -7.086 5.973 2.663 572 HA ASP 71 HA ASP 71 -7.052 8.571 3.620 573 HB2 ASP 71 1HB ASP 71 -6.347 5.936 4.972 574 HB3 ASP 71 2HB ASP 71 -6.353 7.442 5.866 575 H ALA 72 H ALA 72 -4.383 6.248 3.673 576 HA ALA 72 HA ALA 72 -2.477 7.936 4.900 577 HB1 ALA 72 3HB ALA 72 -2.403 5.482 5.016 578 HB2 ALA 72 1HB ALA 72 -0.891 6.133 4.373 579 HB3 ALA 72 2HB ALA 72 -2.068 5.403 3.286 580 H ALA 73 H ALA 73 -3.111 7.070 1.509 581 HA ALA 73 HA ALA 73 -0.906 8.446 0.355 582 HB1 ALA 73 3HB ALA 73 -2.056 8.105 -1.785 583 HB2 ALA 73 1HB ALA 73 -3.534 7.646 -0.938 584 HB3 ALA 73 2HB ALA 73 -2.094 6.633 -0.811 585 H LYS 74 H LYS 74 -4.231 9.461 1.145 586 HA LYS 74 HA LYS 74 -4.242 11.921 -0.274 587 HB2 LYS 74 1HB LYS 74 -5.822 11.172 2.223 588 HB3 LYS 74 2HB LYS 74 -6.045 12.674 1.335 589 HG2 LYS 74 1HG LYS 74 -6.443 10.981 -0.705 590 HG3 LYS 74 2HG LYS 74 -6.858 9.883 0.604 591 HD2 LYS 74 1HD LYS 74 -8.902 10.879 -0.116 592 HD3 LYS 74 2HD LYS 74 -8.504 11.648 1.421 593 HE2 LYS 74 1HE LYS 74 -7.531 13.573 0.142 594 HE3 LYS 74 2HE LYS 74 -8.060 12.796 -1.356 595 HZ1 LYS 74 3HZ LYS 74 -9.600 14.493 -0.634 596 HZ2 LYS 74 1HZ LYS 74 -9.829 13.714 0.850 597 HZ3 LYS 74 2HZ LYS 74 -10.342 12.975 -0.581 598 H SER 75 H SER 75 -3.569 11.159 3.121 599 HA SER 75 HA SER 75 -2.945 13.623 4.149 600 HG SER 75 HG SER 75 -3.460 10.434 5.413 601 HB2 SER 75 1HB SER 75 -1.528 11.011 4.847 602 HB3 SER 75 2HB SER 75 -1.664 12.438 5.877 603 H MET 76 H MET 76 -0.794 11.406 2.408 604 HA MET 76 HA MET 76 1.578 12.998 2.659 605 HB2 MET 76 1HB MET 76 0.912 10.701 0.779 606 HB3 MET 76 2HB MET 76 2.520 11.396 1.000 607 HG2 MET 76 1HG MET 76 0.878 10.036 3.140 608 HG3 MET 76 2HG MET 76 2.262 9.349 2.289 609 HE1 MET 76 3HE MET 76 1.094 11.311 5.330 610 HE2 MET 76 1HE MET 76 2.618 11.224 6.214 611 HE3 MET 76 2HE MET 76 1.879 9.750 5.591 612 H HIS 77 H HIS 77 -0.829 12.599 0.030 613 HA HIS 77 HA HIS 77 0.385 14.320 -1.858 614 HD1 HIS 77 HD1 HIS 77 -1.223 14.048 -4.870 615 HD2 HIS 77 HD2 HIS 77 -1.179 10.800 -2.286 616 HE1 HIS 77 HE1 HIS 77 -0.776 12.035 -6.314 617 HE2 HIS 77 HE2 HIS 77 -0.733 10.092 -4.718 618 HB2 HIS 77 1HB HIS 77 -2.416 13.288 -1.466 619 HB3 HIS 77 2HB HIS 77 -2.180 14.611 -2.595 620 H GLU 78 H GLU 78 -1.656 14.984 0.929 621 HA GLU 78 HA GLU 78 -2.085 17.758 0.457 622 HB2 GLU 78 1HB GLU 78 -2.145 16.230 3.094 623 HB3 GLU 78 2HB GLU 78 -2.835 17.826 2.818 624 HG2 GLU 78 1HG GLU 78 -3.751 15.276 1.468 625 HG3 GLU 78 2HG GLU 78 -4.510 15.981 2.871 626 H LEU 79 H LEU 79 0.465 15.879 2.058 627 HA LEU 79 HA LEU 79 1.880 18.120 3.188 628 HG LEU 79 HG LEU 79 1.134 15.089 4.192 629 HB2 LEU 79 1HB LEU 79 2.935 15.330 2.572 630 HB3 LEU 79 2HB LEU 79 3.733 16.525 3.586 631 HD11 LEU 79 1HD1 LEU 79 3.080 13.657 4.479 632 HD12 LEU 79 2HD1 LEU 79 2.359 14.040 6.039 633 HD13 LEU 79 3HD1 LEU 79 3.837 14.860 5.529 634 HD21 LEU 79 3HD2 LEU 79 2.546 17.184 5.876 635 HD22 LEU 79 1HD2 LEU 79 1.172 16.203 6.398 636 HD23 LEU 79 2HD2 LEU 79 0.978 17.357 5.085 637 H GLY 80 H GLY 80 1.865 16.529 0.077 638 HA2 GLY 80 1HA GLY 80 2.570 17.953 -1.810 639 HA3 GLY 80 2HA GLY 80 4.024 18.333 -0.908 640 H TYR 81 H TYR 81 3.323 15.077 -0.426 641 HA TYR 81 HA TYR 81 5.193 14.121 -2.468 642 HD1 TYR 81 HD1 TYR 81 7.239 12.930 -0.958 643 HD2 TYR 81 HD2 TYR 81 3.909 13.404 1.685 644 HE1 TYR 81 HE1 TYR 81 8.775 13.428 0.899 645 HE2 TYR 81 HE2 TYR 81 5.454 13.900 3.534 646 HH TYR 81 HH TYR 81 8.776 14.535 3.054 647 HB2 TYR 81 1HB TYR 81 3.535 12.502 -0.480 648 HB3 TYR 81 2HB TYR 81 4.889 11.908 -1.434 649 H THR 82 H THR 82 4.432 12.031 -3.720 650 HA THR 82 HA THR 82 1.561 12.040 -4.398 651 HB THR 82 HB THR 82 2.158 11.701 -6.869 652 HG1 THR 82 HG1 THR 82 4.329 11.276 -6.788 653 HG21 THR 82 3HG2 THR 82 2.890 14.427 -5.759 654 HG22 THR 82 1HG2 THR 82 1.246 13.863 -6.072 655 HG23 THR 82 2HG2 THR 82 2.378 14.076 -7.411 656 HA PRO 83 HA PRO 83 3.090 7.607 -4.075 657 HB2 PRO 83 1HB PRO 83 1.817 6.812 -1.817 658 HB3 PRO 83 2HB PRO 83 3.385 7.631 -1.750 659 HG2 PRO 83 1HG PRO 83 0.628 8.799 -1.354 660 HG3 PRO 83 2HG PRO 83 2.090 9.020 -0.365 661 HD2 PRO 83 1HD PRO 83 1.298 10.846 -2.237 662 HD3 PRO 83 2HD PRO 83 3.003 10.575 -1.825 663 H TYR 84 H TYR 84 1.879 5.985 -4.936 664 HA TYR 84 HA TYR 84 -0.898 6.383 -5.714 665 HD1 TYR 84 HD1 TYR 84 2.878 5.505 -6.718 666 HD2 TYR 84 HD2 TYR 84 -0.800 5.605 -8.896 667 HE1 TYR 84 HE1 TYR 84 3.988 6.714 -8.539 668 HE2 TYR 84 HE2 TYR 84 0.313 6.810 -10.720 669 HH TYR 84 HH TYR 84 2.339 8.303 -10.974 670 HB2 TYR 84 1HB TYR 84 0.945 3.977 -6.131 671 HB3 TYR 84 2HB TYR 84 -0.619 4.223 -6.908 672 H TYR 85 H TYR 85 -2.278 4.207 -5.465 673 HA TYR 85 HA TYR 85 -1.875 2.793 -2.991 674 HD1 TYR 85 HD1 TYR 85 -3.117 6.551 -3.963 675 HD2 TYR 85 HD2 TYR 85 -6.186 3.861 -2.703 676 HE1 TYR 85 HE1 TYR 85 -4.808 7.998 -4.977 677 HE2 TYR 85 HE2 TYR 85 -7.876 5.318 -3.724 678 HH TYR 85 HH TYR 85 -7.109 7.787 -5.884 679 HB2 TYR 85 1HB TYR 85 -3.956 3.561 -1.887 680 HB3 TYR 85 2HB TYR 85 -2.779 4.846 -2.061 681 H LEU 86 H LEU 86 -2.869 0.878 -2.984 682 HA LEU 86 HA LEU 86 -4.462 0.088 -5.334 683 HG LEU 86 HG LEU 86 -2.871 -3.365 -5.157 684 HB2 LEU 86 1HB LEU 86 -2.306 -1.098 -4.819 685 HB3 LEU 86 2HB LEU 86 -2.972 -1.628 -3.294 686 HD11 LEU 86 1HD1 LEU 86 -5.008 -4.435 -4.689 687 HD12 LEU 86 2HD1 LEU 86 -5.626 -2.932 -3.996 688 HD13 LEU 86 3HD1 LEU 86 -4.286 -3.778 -3.222 689 HD21 LEU 86 3HD2 LEU 86 -4.554 -3.370 -6.902 690 HD22 LEU 86 1HD2 LEU 86 -3.543 -1.933 -7.022 691 HD23 LEU 86 2HD2 LEU 86 -5.171 -1.812 -6.350 692 H GLU 87 H GLU 87 -6.568 -0.014 -5.058 693 HA GLU 87 HA GLU 87 -7.746 -0.638 -2.409 694 HB2 GLU 87 1HB GLU 87 -9.046 0.648 -4.854 695 HB3 GLU 87 2HB GLU 87 -9.832 0.357 -3.301 696 HG2 GLU 87 1HG GLU 87 -8.067 1.870 -2.253 697 HG3 GLU 87 2HG GLU 87 -7.557 2.281 -3.888 698 H GLY 88 H GLY 88 -7.675 -2.822 -2.372 699 HA2 GLY 88 1HA GLY 88 -9.491 -4.385 -3.913 700 HA3 GLY 88 2HA GLY 88 -7.830 -4.654 -4.442 701 H ASN 89 H ASN 89 -9.266 -6.725 -3.413 702 HA ASN 89 HA ASN 89 -9.126 -7.036 -0.566 703 HB2 ASN 89 1HB ASN 89 -9.553 -9.119 -2.757 704 HB3 ASN 89 2HB ASN 89 -9.826 -9.383 -1.039 705 HD21 ASN 89 2HD2 ASN 89 -11.622 -8.421 -0.053 706 HD22 ASN 89 1HD2 ASN 89 -12.948 -7.794 -0.970 707 H VAL 90 H VAL 90 -7.321 -7.521 0.599 708 HA VAL 90 HA VAL 90 -4.805 -7.798 -0.627 709 HB VAL 90 HB VAL 90 -5.177 -6.768 1.631 710 HG11 VAL 90 1HG1 VAL 90 -5.192 -8.168 3.652 711 HG12 VAL 90 2HG1 VAL 90 -5.286 -9.621 2.654 712 HG13 VAL 90 3HG1 VAL 90 -6.615 -8.466 2.650 713 HG21 VAL 90 3HG2 VAL 90 -2.904 -7.226 0.878 714 HG22 VAL 90 1HG2 VAL 90 -3.002 -8.882 1.487 715 HG23 VAL 90 2HG2 VAL 90 -3.021 -7.522 2.613 716 H TYR 91 H TYR 91 -6.977 -10.245 0.649 717 HA TYR 91 HA TYR 91 -5.110 -12.420 0.722 718 HD1 TYR 91 HD1 TYR 91 -8.572 -10.634 2.098 719 HD2 TYR 91 HD2 TYR 91 -6.049 -13.861 3.292 720 HE1 TYR 91 HE1 TYR 91 -8.690 -9.860 4.417 721 HE2 TYR 91 HE2 TYR 91 -6.185 -13.096 5.630 722 HH TYR 91 HH TYR 91 -6.630 -10.933 6.854 723 HB2 TYR 91 1HB TYR 91 -8.160 -12.514 0.566 724 HB3 TYR 91 2HB TYR 91 -7.109 -13.846 1.043 725 H ASP 92 H ASP 92 -7.111 -10.999 -1.731 726 HA ASP 92 HA ASP 92 -7.305 -13.225 -3.502 727 HB2 ASP 92 1HB ASP 92 -8.045 -10.290 -3.714 728 HB3 ASP 92 2HB ASP 92 -8.149 -11.337 -5.123 729 H PHE 93 H PHE 93 -4.773 -10.974 -2.960 730 HA PHE 93 HA PHE 93 -3.755 -10.550 -5.533 731 HD1 PHE 93 HD1 PHE 93 -4.703 -8.822 -4.443 732 HD2 PHE 93 HD2 PHE 93 -1.157 -8.692 -2.074 733 HE1 PHE 93 HE1 PHE 93 -5.341 -6.605 -3.597 734 HE2 PHE 93 HE2 PHE 93 -1.804 -6.483 -1.238 735 HZ PHE 93 HZ PHE 93 -3.889 -5.431 -1.992 736 HB2 PHE 93 1HB PHE 93 -2.165 -10.893 -2.972 737 HB3 PHE 93 2HB PHE 93 -1.557 -10.163 -4.450 738 H GLU 94 H GLU 94 -3.241 -13.248 -3.294 739 HA GLU 94 HA GLU 94 -1.428 -14.816 -4.722 740 HB2 GLU 94 1HB GLU 94 -3.553 -15.441 -2.662 741 HB3 GLU 94 2HB GLU 94 -2.638 -16.755 -3.390 742 HG2 GLU 94 1HG GLU 94 -1.226 -14.415 -2.106 743 HG3 GLU 94 2HG GLU 94 -1.842 -15.748 -1.128 744 H LYS 95 H LYS 95 -5.047 -14.923 -4.873 745 HA LYS 95 HA LYS 95 -5.049 -17.022 -6.859 746 HB2 LYS 95 1HB LYS 95 -7.484 -16.809 -6.901 747 HB3 LYS 95 2HB LYS 95 -6.920 -16.801 -5.235 748 HG2 LYS 95 1HG LYS 95 -7.139 -14.316 -5.219 749 HG3 LYS 95 2HG LYS 95 -7.796 -14.395 -6.848 750 HD2 LYS 95 1HD LYS 95 -9.627 -14.130 -5.328 751 HD3 LYS 95 2HD LYS 95 -9.704 -15.781 -5.949 752 HE2 LYS 95 1HE LYS 95 -8.543 -15.006 -3.250 753 HE3 LYS 95 2HE LYS 95 -10.205 -15.535 -3.489 754 HZ1 LYS 95 3HZ LYS 95 -7.731 -17.120 -3.877 755 HZ2 LYS 95 1HZ LYS 95 -9.253 -17.641 -4.404 756 HZ3 LYS 95 2HZ LYS 95 -8.970 -17.388 -2.760 757 H TYR 96 H TYR 96 -4.765 -13.591 -7.023 758 HA TYR 96 HA TYR 96 -5.313 -13.433 -9.888 759 HD1 TYR 96 HD2 TYR 96 -6.924 -12.539 -7.211 760 HD2 TYR 96 HD1 TYR 96 -6.134 -9.707 -10.307 761 HE1 TYR 96 HE2 TYR 96 -9.271 -11.838 -7.163 762 HE2 TYR 96 HE1 TYR 96 -8.493 -9.011 -10.265 763 HH TYR 96 HH TYR 96 -10.612 -9.871 -7.758 764 HB2 TYR 96 1HB TYR 96 -4.431 -11.403 -7.808 765 HB3 TYR 96 2HB TYR 96 -4.333 -11.023 -9.524 766 H GLY 97 H GLY 97 -2.696 -14.360 -7.889 767 HA2 GLY 97 1HA GLY 97 -1.117 -15.805 -9.060 768 HA3 GLY 97 2HA GLY 97 -1.003 -14.603 -10.335 769 H PHE 98 H PHE 98 -1.055 -12.736 -7.725 770 HA PHE 98 HA PHE 98 1.746 -12.154 -7.811 771 HD1 PHE 98 HD1 PHE 98 1.774 -9.621 -8.670 772 HD2 PHE 98 HD2 PHE 98 -2.216 -10.297 -7.279 773 HE1 PHE 98 HE1 PHE 98 0.895 -8.240 -10.507 774 HE2 PHE 98 HE2 PHE 98 -3.081 -8.916 -9.121 775 HZ PHE 98 HZ PHE 98 -1.529 -7.885 -10.735 776 HB2 PHE 98 1HB PHE 98 -0.397 -11.031 -5.952 777 HB3 PHE 98 2HB PHE 98 1.201 -10.340 -6.223 778 H ARG 99 H ARG 99 3.295 -12.773 -6.469 779 HA ARG 99 HA ARG 99 3.051 -14.759 -4.471 780 HE ARG 99 HE ARG 99 7.466 -14.585 -1.780 781 HB2 ARG 99 1HB ARG 99 5.125 -14.753 -5.572 782 HB3 ARG 99 2HB ARG 99 5.272 -13.008 -5.536 783 HG2 ARG 99 1HG ARG 99 6.990 -14.007 -4.144 784 HG3 ARG 99 2HG ARG 99 5.862 -13.105 -3.138 785 HD2 ARG 99 1HD ARG 99 4.770 -15.222 -2.480 786 HD3 ARG 99 2HD ARG 99 5.931 -16.121 -3.468 787 HH11 ARG 99 1HH1 ARG 99 5.052 -17.101 -1.316 788 HH12 ARG 99 2HH1 ARG 99 5.694 -17.584 0.219 789 HH21 ARG 99 1HH2 ARG 99 8.272 -15.244 0.233 790 HH22 ARG 99 2HH2 ARG 99 7.508 -16.546 1.084 791 H MET 100 H MET 100 2.696 -14.579 -2.384 792 HA MET 100 HA MET 100 3.069 -12.037 -0.914 793 HB2 MET 100 1HB MET 100 0.686 -13.895 -0.519 794 HB3 MET 100 2HB MET 100 0.980 -12.367 0.301 795 HG2 MET 100 1HG MET 100 0.740 -11.229 -1.940 796 HG3 MET 100 2HG MET 100 0.226 -12.783 -2.597 797 HE1 MET 100 3HE MET 100 -2.035 -10.338 0.562 798 HE2 MET 100 1HE MET 100 -0.601 -9.785 -0.309 799 HE3 MET 100 2HE MET 100 -0.471 -11.082 0.885 800 H VAL 101 H VAL 101 3.249 -12.384 1.447 801 HA VAL 101 HA VAL 101 4.184 -15.087 2.220 802 HB VAL 101 HB VAL 101 4.993 -12.492 3.614 803 HG11 VAL 101 1HG1 VAL 101 6.792 -13.877 4.587 804 HG12 VAL 101 2HG1 VAL 101 6.180 -15.292 3.722 805 HG13 VAL 101 3HG1 VAL 101 5.198 -14.528 4.974 806 HG21 VAL 101 3HG2 VAL 101 5.841 -12.361 1.315 807 HG22 VAL 101 1HG2 VAL 101 6.557 -13.968 1.457 808 HG23 VAL 101 2HG2 VAL 101 7.174 -12.634 2.435 809 H TYR 102 H TYR 102 2.669 -16.079 3.351 810 HA TYR 102 HA TYR 102 0.818 -14.692 5.181 811 HD1 TYR 102 HD2 TYR 102 0.677 -15.246 2.020 812 HD2 TYR 102 HD1 TYR 102 -2.462 -16.701 4.530 813 HE1 TYR 102 HE2 TYR 102 -0.994 -14.269 0.516 814 HE2 TYR 102 HE1 TYR 102 -4.121 -15.712 3.027 815 HH TYR 102 HH TYR 102 -3.314 -14.503 -0.081 816 HB2 TYR 102 1HB TYR 102 0.807 -17.425 3.835 817 HB3 TYR 102 2HB TYR 102 -0.254 -17.089 5.197 818 H ASP 103 H ASP 103 0.521 -15.476 7.346 819 HA ASP 103 HA ASP 103 1.198 -16.031 9.434 820 HB2 ASP 103 1HB ASP 103 2.358 -18.410 7.925 821 HB3 ASP 103 2HB ASP 103 2.404 -18.298 9.681 822 H ASP 104 H ASP 104 2.868 -14.204 7.974 823 HA ASP 104 HA ASP 104 5.643 -14.829 8.209 824 HB2 ASP 104 1HB ASP 104 4.656 -13.225 6.545 825 HB3 ASP 104 2HB ASP 104 4.364 -12.087 7.854 826 H THR 105 H THR 105 3.418 -13.925 10.550 827 HA THR 105 HA THR 105 4.573 -12.325 12.393 828 HB THR 105 HB THR 105 2.368 -13.262 12.746 829 HG1 THR 105 HG1 THR 105 3.267 -12.605 14.637 830 HG21 THR 105 3HG2 THR 105 3.690 -15.954 13.265 831 HG22 THR 105 1HG2 THR 105 2.675 -15.547 11.879 832 HG23 THR 105 2HG2 THR 105 1.982 -15.584 13.501 833 H CYS 106 H CYS 106 5.456 -15.721 11.828 834 HA CYS 106 HA CYS 106 8.047 -15.384 13.089 835 HG CYS 106 HG CYS 106 7.246 -14.473 15.396 836 HB2 CYS 106 1HB CYS 106 6.002 -17.357 14.210 837 HB3 CYS 106 2HB CYS 106 7.723 -17.397 14.593 838 H ASP 107 H ASP 107 9.169 -17.700 13.022 839 HA ASP 107 HA ASP 107 9.127 -18.707 10.340 840 HB2 ASP 107 1HB ASP 107 10.501 -19.756 12.855 841 HB3 ASP 107 2HB ASP 107 10.762 -20.413 11.242 842 H LYS 108 H LYS 108 7.102 -19.505 9.896 843 HA LYS 108 HA LYS 108 5.625 -21.416 11.406 844 HB2 LYS 108 1HB LYS 108 4.621 -20.024 9.605 845 HB3 LYS 108 2HB LYS 108 5.620 -20.836 8.407 846 HG2 LYS 108 1HG LYS 108 4.422 -23.011 9.115 847 HG3 LYS 108 2HG LYS 108 3.291 -21.972 9.984 848 HD2 LYS 108 1HD LYS 108 2.386 -22.549 7.767 849 HD3 LYS 108 2HD LYS 108 2.715 -20.818 7.858 850 HE2 LYS 108 1HE LYS 108 4.798 -21.121 6.585 851 HE3 LYS 108 2HE LYS 108 4.555 -22.869 6.567 852 HZ1 LYS 108 3HZ LYS 108 2.771 -20.867 5.306 853 HZ2 LYS 108 1HZ LYS 108 2.546 -22.542 5.277 854 HZ3 LYS 108 2HZ LYS 108 3.878 -21.851 4.495 855 H LYS 109 H LYS 109 7.725 -21.726 8.553 856 HA LYS 109 HA LYS 109 8.234 -24.563 9.091 857 HB2 LYS 109 1HB LYS 109 9.763 -24.285 6.975 858 HB3 LYS 109 2HB LYS 109 8.025 -24.288 6.777 859 HG2 LYS 109 1HG LYS 109 8.866 -22.608 5.318 860 HG3 LYS 109 2HG LYS 109 8.086 -21.771 6.654 861 HD2 LYS 109 1HD LYS 109 10.181 -20.650 6.008 862 HD3 LYS 109 2HD LYS 109 10.276 -21.272 7.653 863 HE2 LYS 109 1HE LYS 109 11.581 -23.202 6.850 864 HE3 LYS 109 2HE LYS 109 11.498 -22.582 5.198 865 HZ1 LYS 109 3HZ LYS 109 12.691 -20.585 5.987 866 HZ2 LYS 109 1HZ LYS 109 13.592 -21.999 6.201 867 HZ3 LYS 109 2HZ LYS 109 12.821 -21.283 7.519 868 H ASN 110 H ASN 110 10.279 -25.369 9.648 869 HA ASN 110 HA ASN 110 12.525 -23.595 10.098 870 HB2 ASN 110 1HB ASN 110 12.815 -24.073 12.489 871 HB3 ASN 110 2HB ASN 110 11.245 -23.335 12.218 872 HD21 ASN 110 2HD2 ASN 110 12.914 -26.239 13.158 873 HD22 ASN 110 1HD2 ASN 110 11.536 -27.067 13.787 Start of MODEL 4 1 HA MET 1 HA MET 1 -6.200 16.025 -8.469 2 H1 MET 1 1H MET 1 -8.177 14.800 -6.660 3 H2 MET 1 2H MET 1 -8.274 14.921 -8.335 4 H3 MET 1 3H MET 1 -8.324 16.316 -7.388 5 HB2 MET 1 1HB MET 1 -6.117 15.686 -5.440 6 HB3 MET 1 2HB MET 1 -4.786 16.277 -6.425 7 HG2 MET 1 1HG MET 1 -6.088 18.250 -7.049 8 HG3 MET 1 2HG MET 1 -7.469 17.649 -6.130 9 HE1 MET 1 3HE MET 1 -6.180 17.949 -2.426 10 HE2 MET 1 1HE MET 1 -6.224 16.518 -3.458 11 HE3 MET 1 2HE MET 1 -7.584 17.642 -3.449 12 H LEU 2 H LEU 2 -6.262 13.563 -5.798 13 HA LEU 2 HA LEU 2 -4.139 12.121 -7.193 14 HG LEU 2 HG LEU 2 -5.767 10.075 -4.573 15 HB2 LEU 2 1HB LEU 2 -3.536 11.138 -5.201 16 HB3 LEU 2 2HB LEU 2 -4.175 12.671 -4.650 17 HD11 LEU 2 1HD1 LEU 2 -3.786 9.860 -3.165 18 HD12 LEU 2 2HD1 LEU 2 -5.249 9.956 -2.189 19 HD13 LEU 2 3HD1 LEU 2 -4.193 11.365 -2.335 20 HD21 LEU 2 3HD2 LEU 2 -6.251 12.720 -3.182 21 HD22 LEU 2 1HD2 LEU 2 -7.220 11.256 -2.997 22 HD23 LEU 2 2HD2 LEU 2 -7.165 12.084 -4.551 23 H GLU 3 H GLU 3 -7.409 11.852 -7.513 24 HA GLU 3 HA GLU 3 -7.821 9.058 -7.224 25 HB2 GLU 3 1HB GLU 3 -9.882 9.316 -8.560 26 HB3 GLU 3 2HB GLU 3 -9.771 10.498 -7.267 27 HG2 GLU 3 1HG GLU 3 -9.025 11.148 -10.128 28 HG3 GLU 3 2HG GLU 3 -10.672 11.300 -9.530 29 H ASP 4 H ASP 4 -6.207 10.856 -9.678 30 HA ASP 4 HA ASP 4 -6.196 8.897 -11.770 31 HB2 ASP 4 1HB ASP 4 -4.214 11.126 -11.129 32 HB3 ASP 4 2HB ASP 4 -4.216 10.186 -12.620 33 H TYR 5 H TYR 5 -4.628 9.069 -8.743 34 HA TYR 5 HA TYR 5 -2.480 7.177 -9.358 35 HD1 TYR 5 HD2 TYR 5 -3.172 10.676 -8.553 36 HD2 TYR 5 HD1 TYR 5 0.255 8.398 -7.381 37 HE1 TYR 5 HE2 TYR 5 -1.704 12.505 -9.274 38 HE2 TYR 5 HE1 TYR 5 1.719 10.234 -8.107 39 HH TYR 5 HH TYR 5 1.598 12.183 -9.698 40 HB2 TYR 5 1HB TYR 5 -3.239 8.660 -6.801 41 HB3 TYR 5 2HB TYR 5 -1.900 7.531 -6.904 42 H ALA 6 H ALA 6 -5.733 6.940 -8.686 43 HA ALA 6 HA ALA 6 -5.828 4.747 -6.845 44 HB1 ALA 6 3HB ALA 6 -7.941 5.680 -8.827 45 HB2 ALA 6 1HB ALA 6 -7.764 6.239 -7.164 46 HB3 ALA 6 2HB ALA 6 -8.205 4.561 -7.484 47 H ILE 7 H ILE 7 -4.567 3.068 -7.489 48 HA ILE 7 HA ILE 7 -5.012 1.796 -10.114 49 HB ILE 7 HB ILE 7 -2.921 1.073 -8.003 50 HG12 ILE 7 1HG1 ILE 7 -2.664 2.913 -10.443 51 HG13 ILE 7 2HG1 ILE 7 -2.506 3.378 -8.758 52 HG21 ILE 7 1HG2 ILE 7 -1.804 -0.138 -9.863 53 HG22 ILE 7 2HG2 ILE 7 -3.122 0.307 -10.950 54 HG23 ILE 7 3HG2 ILE 7 -3.430 -0.760 -9.579 55 HD11 ILE 7 3HD1 ILE 7 -0.359 3.288 -9.847 56 HD12 ILE 7 1HD1 ILE 7 -0.614 1.599 -10.284 57 HD13 ILE 7 2HD1 ILE 7 -0.456 2.059 -8.587 58 H SER 8 H SER 8 -6.175 -0.057 -10.256 59 HA SER 8 HA SER 8 -7.320 -1.251 -7.808 60 HG SER 8 HG SER 8 -8.444 0.444 -9.291 61 HB2 SER 8 1HB SER 8 -8.085 -1.683 -10.720 62 HB3 SER 8 2HB SER 8 -8.982 -2.235 -9.304 63 H LEU 9 H LEU 9 -7.432 -3.602 -7.619 64 HA LEU 9 HA LEU 9 -4.990 -4.957 -8.028 65 HG LEU 9 HG LEU 9 -6.349 -7.982 -7.975 66 HB2 LEU 9 1HB LEU 9 -6.520 -5.510 -6.196 67 HB3 LEU 9 2HB LEU 9 -7.743 -6.044 -7.336 68 HD11 LEU 9 1HD1 LEU 9 -4.333 -6.948 -5.961 69 HD12 LEU 9 2HD1 LEU 9 -4.122 -7.044 -7.711 70 HD13 LEU 9 3HD1 LEU 9 -4.268 -8.521 -6.764 71 HD21 LEU 9 3HD2 LEU 9 -7.916 -8.265 -6.102 72 HD22 LEU 9 1HD2 LEU 9 -6.672 -7.747 -4.959 73 HD23 LEU 9 2HD2 LEU 9 -6.478 -9.251 -5.865 74 H GLU 10 H GLU 10 -7.838 -4.731 -10.009 75 HA GLU 10 HA GLU 10 -7.422 -6.952 -11.747 76 HB2 GLU 10 1HB GLU 10 -9.147 -5.873 -13.161 77 HB3 GLU 10 2HB GLU 10 -9.624 -5.907 -11.467 78 HG2 GLU 10 1HG GLU 10 -8.902 -3.534 -11.240 79 HG3 GLU 10 2HG GLU 10 -8.511 -3.508 -12.957 80 H GLU 11 H GLU 11 -5.711 -4.019 -11.523 81 HA GLU 11 HA GLU 11 -4.643 -4.216 -14.282 82 HB2 GLU 11 1HB GLU 11 -4.712 -1.695 -14.401 83 HB3 GLU 11 2HB GLU 11 -6.303 -2.447 -14.362 84 HG2 GLU 11 1HG GLU 11 -6.487 -1.938 -11.949 85 HG3 GLU 11 2HG GLU 11 -4.897 -1.185 -11.993 86 H VAL 12 H VAL 12 -3.834 -4.409 -11.117 87 HA VAL 12 HA VAL 12 -1.588 -2.559 -11.025 88 HB VAL 12 HB VAL 12 -3.055 -3.091 -9.024 89 HG11 VAL 12 1HG1 VAL 12 -2.600 -5.086 -7.673 90 HG12 VAL 12 2HG1 VAL 12 -1.504 -5.703 -8.910 91 HG13 VAL 12 3HG1 VAL 12 -3.225 -5.530 -9.262 92 HG21 VAL 12 3HG2 VAL 12 -0.934 -1.925 -8.725 93 HG22 VAL 12 1HG2 VAL 12 -0.060 -3.460 -8.649 94 HG23 VAL 12 2HG2 VAL 12 -1.206 -3.029 -7.376 95 H ASN 13 H ASN 13 0.583 -3.114 -10.812 96 HA ASN 13 HA ASN 13 1.429 -5.938 -11.070 97 HB2 ASN 13 1HB ASN 13 2.729 -3.538 -12.466 98 HB3 ASN 13 2HB ASN 13 3.367 -5.179 -12.465 99 HD21 ASN 13 2HD2 ASN 13 0.811 -3.098 -13.681 100 HD22 ASN 13 1HD2 ASN 13 0.306 -4.143 -14.960 101 H PHE 14 H PHE 14 1.858 -6.114 -8.852 102 HA PHE 14 HA PHE 14 2.790 -4.037 -7.198 103 HD1 PHE 14 HD2 PHE 14 1.327 -3.947 -5.435 104 HD2 PHE 14 HD1 PHE 14 0.862 -8.064 -6.470 105 HE1 PHE 14 HE2 PHE 14 -1.022 -3.859 -4.752 106 HE2 PHE 14 HE1 PHE 14 -1.500 -7.963 -5.790 107 HZ PHE 14 HZ PHE 14 -2.448 -5.859 -4.931 108 HB2 PHE 14 1HB PHE 14 2.971 -7.049 -6.765 109 HB3 PHE 14 2HB PHE 14 3.334 -5.857 -5.523 110 H ASN 15 H ASN 15 4.555 -6.572 -8.910 111 HA ASN 15 HA ASN 15 7.146 -6.154 -7.936 112 HB2 ASN 15 1HB ASN 15 6.232 -7.118 -10.679 113 HB3 ASN 15 2HB ASN 15 7.906 -7.179 -10.131 114 HD21 ASN 15 2HD2 ASN 15 7.949 -9.427 -10.366 115 HD22 ASN 15 1HD2 ASN 15 7.157 -10.480 -9.248 116 H ASP 16 H ASP 16 5.291 -4.216 -10.130 117 HA ASP 16 HA ASP 16 7.454 -2.864 -11.442 118 HB2 ASP 16 1HB ASP 16 5.135 -3.135 -12.441 119 HB3 ASP 16 2HB ASP 16 4.534 -1.997 -11.245 120 H PHE 17 H PHE 17 5.515 -2.233 -8.538 121 HA PHE 17 HA PHE 17 6.792 0.440 -8.206 122 HD1 PHE 17 HD2 PHE 17 4.542 1.915 -9.497 123 HD2 PHE 17 HD1 PHE 17 2.742 -1.586 -7.869 124 HE1 PHE 17 HE2 PHE 17 2.955 1.880 -11.354 125 HE2 PHE 17 HE1 PHE 17 1.146 -1.627 -9.735 126 HZ PHE 17 HZ PHE 17 1.254 0.096 -11.490 127 HB2 PHE 17 1HB PHE 17 4.371 -0.385 -6.585 128 HB3 PHE 17 2HB PHE 17 4.887 1.219 -7.061 129 H ILE 18 H ILE 18 7.583 1.008 -6.089 130 HA ILE 18 HA ILE 18 8.331 -1.075 -4.227 131 HB ILE 18 HB ILE 18 8.308 1.956 -3.770 132 HG12 ILE 18 1HG1 ILE 18 10.631 0.223 -4.752 133 HG13 ILE 18 2HG1 ILE 18 9.749 1.395 -5.721 134 HG21 ILE 18 1HG2 ILE 18 9.807 -0.237 -2.276 135 HG22 ILE 18 2HG2 ILE 18 8.414 0.664 -1.679 136 HG23 ILE 18 3HG2 ILE 18 9.940 1.496 -1.962 137 HD11 ILE 18 3HD1 ILE 18 11.876 2.284 -5.034 138 HD12 ILE 18 1HD1 ILE 18 11.491 2.005 -3.337 139 HD13 ILE 18 2HD1 ILE 18 10.576 3.196 -4.266 140 H VAL 19 H VAL 19 6.654 -2.059 -3.106 141 HA VAL 19 HA VAL 19 4.130 -0.573 -2.800 142 HB VAL 19 HB VAL 19 4.700 -3.527 -2.236 143 HG11 VAL 19 1HG1 VAL 19 2.667 -2.741 -1.110 144 HG12 VAL 19 2HG1 VAL 19 2.246 -3.823 -2.438 145 HG13 VAL 19 3HG1 VAL 19 2.051 -2.078 -2.626 146 HG21 VAL 19 3HG2 VAL 19 3.685 -3.990 -4.451 147 HG22 VAL 19 1HG2 VAL 19 5.151 -3.020 -4.600 148 HG23 VAL 19 2HG2 VAL 19 3.569 -2.255 -4.764 149 H VAL 20 H VAL 20 3.078 -0.405 -0.776 150 HA VAL 20 HA VAL 20 4.637 -0.924 1.676 151 HB VAL 20 HB VAL 20 3.120 1.652 1.014 152 HG11 VAL 20 1HG1 VAL 20 4.395 0.886 3.675 153 HG12 VAL 20 2HG1 VAL 20 2.668 1.045 3.355 154 HG13 VAL 20 3HG1 VAL 20 3.707 2.465 3.276 155 HG21 VAL 20 3HG2 VAL 20 5.280 2.783 1.351 156 HG22 VAL 20 1HG2 VAL 20 5.398 1.570 0.078 157 HG23 VAL 20 2HG2 VAL 20 6.063 1.234 1.677 158 H ASP 21 H ASP 21 3.496 -2.111 3.060 159 HA ASP 21 HA ASP 21 0.637 -2.542 2.808 160 HB2 ASP 21 1HB ASP 21 2.387 -4.272 3.624 161 HB3 ASP 21 2HB ASP 21 2.494 -3.350 5.120 162 H VAL 22 H VAL 22 -0.505 -0.631 3.254 163 HA VAL 22 HA VAL 22 0.179 0.928 5.670 164 HB VAL 22 HB VAL 22 -1.604 2.572 4.811 165 HG11 VAL 22 1HG1 VAL 22 0.848 2.092 3.056 166 HG12 VAL 22 2HG1 VAL 22 0.815 3.004 4.565 167 HG13 VAL 22 3HG1 VAL 22 -0.059 3.604 3.157 168 HG21 VAL 22 3HG2 VAL 22 -2.791 1.035 3.257 169 HG22 VAL 22 1HG2 VAL 22 -1.350 0.942 2.238 170 HG23 VAL 22 2HG2 VAL 22 -2.211 2.475 2.413 171 H ARG 23 H ARG 23 -0.511 -0.679 7.123 172 HA ARG 23 HA ARG 23 -3.378 -0.598 7.700 173 HE ARG 23 HE ARG 23 -1.914 -4.712 5.109 174 HB2 ARG 23 1HB ARG 23 -1.938 -3.251 7.233 175 HB3 ARG 23 2HB ARG 23 -3.527 -3.097 7.972 176 HG2 ARG 23 1HG ARG 23 -4.390 -2.110 5.844 177 HG3 ARG 23 2HG ARG 23 -2.805 -2.362 5.109 178 HD2 ARG 23 1HD ARG 23 -4.611 -4.535 6.216 179 HD3 ARG 23 2HD ARG 23 -4.431 -4.125 4.510 180 HH11 ARG 23 1HH1 ARG 23 -4.760 -6.443 6.269 181 HH12 ARG 23 2HH1 ARG 23 -4.004 -8.001 6.140 182 HH21 ARG 23 1HH2 ARG 23 -0.961 -6.735 4.957 183 HH22 ARG 23 2HH2 ARG 23 -1.837 -8.160 5.416 184 H GLU 24 H GLU 24 -1.343 -3.114 9.107 185 HA GLU 24 HA GLU 24 -0.494 -1.613 11.425 186 HB2 GLU 24 1HB GLU 24 -2.786 -3.622 11.677 187 HB3 GLU 24 2HB GLU 24 -1.794 -3.147 13.049 188 HG2 GLU 24 1HG GLU 24 -2.565 -0.827 12.823 189 HG3 GLU 24 2HG GLU 24 -3.516 -1.266 11.407 190 H LEU 25 H LEU 25 0.381 -3.304 13.132 191 HA LEU 25 HA LEU 25 2.307 -4.961 11.874 192 HG LEU 25 HG LEU 25 2.571 -6.959 14.512 193 HB2 LEU 25 1HB LEU 25 2.744 -3.952 14.040 194 HB3 LEU 25 2HB LEU 25 1.386 -4.797 14.761 195 HD11 LEU 25 1HD1 LEU 25 4.944 -7.052 13.845 196 HD12 LEU 25 2HD1 LEU 25 4.880 -5.347 13.392 197 HD13 LEU 25 3HD1 LEU 25 3.903 -6.531 12.522 198 HD21 LEU 25 3HD2 LEU 25 4.297 -6.612 16.225 199 HD22 LEU 25 1HD2 LEU 25 2.844 -5.690 16.606 200 HD23 LEU 25 2HD2 LEU 25 4.259 -4.872 15.939 201 H ASP 26 H ASP 26 -0.690 -5.769 13.661 202 HA ASP 26 HA ASP 26 -0.619 -8.562 13.518 203 HB2 ASP 26 1HB ASP 26 -2.237 -7.339 14.921 204 HB3 ASP 26 2HB ASP 26 -3.037 -6.698 13.490 205 H GLU 27 H GLU 27 -1.778 -6.201 11.234 206 HA GLU 27 HA GLU 27 -2.996 -7.863 9.306 207 HB2 GLU 27 1HB GLU 27 -1.744 -5.095 9.110 208 HB3 GLU 27 2HB GLU 27 -2.782 -5.807 7.884 209 HG2 GLU 27 1HG GLU 27 -3.672 -5.289 10.738 210 HG3 GLU 27 2HG GLU 27 -3.901 -4.153 9.411 211 H TYR 28 H TYR 28 0.305 -6.668 9.704 212 HA TYR 28 HA TYR 28 1.462 -7.659 7.296 213 HD1 TYR 28 HD2 TYR 28 4.138 -6.174 6.738 214 HD2 TYR 28 HD1 TYR 28 4.441 -8.542 10.283 215 HE1 TYR 28 HE2 TYR 28 6.461 -6.739 6.168 216 HE2 TYR 28 HE1 TYR 28 6.759 -9.097 9.710 217 HH TYR 28 HH TYR 28 8.177 -9.213 7.665 218 HB2 TYR 28 1HB TYR 28 2.513 -5.905 8.608 219 HB3 TYR 28 2HB TYR 28 2.605 -6.932 10.020 220 H GLU 29 H GLU 29 0.941 -9.044 10.494 221 HA GLU 29 HA GLU 29 2.719 -11.263 10.235 222 HB2 GLU 29 1HB GLU 29 0.494 -10.784 12.251 223 HB3 GLU 29 2HB GLU 29 1.731 -12.018 12.378 224 HG2 GLU 29 1HG GLU 29 3.470 -10.306 12.572 225 HG3 GLU 29 2HG GLU 29 2.270 -9.040 12.352 226 H GLU 30 H GLU 30 -0.815 -10.919 9.922 227 HA GLU 30 HA GLU 30 -1.440 -13.652 9.603 228 HB2 GLU 30 1HB GLU 30 -3.560 -12.770 8.430 229 HB3 GLU 30 2HB GLU 30 -3.289 -12.220 10.076 230 HG2 GLU 30 1HG GLU 30 -2.634 -10.052 9.364 231 HG3 GLU 30 2HG GLU 30 -2.462 -10.570 7.692 232 H LEU 31 H LEU 31 -0.899 -11.114 7.126 233 HA LEU 31 HA LEU 31 0.645 -12.564 5.392 234 HG LEU 31 HG LEU 31 -3.220 -13.593 3.716 235 HB2 LEU 31 1HB LEU 31 -0.762 -13.130 3.469 236 HB3 LEU 31 2HB LEU 31 -1.231 -14.031 4.884 237 HD11 LEU 31 1HD1 LEU 31 -3.482 -13.242 6.098 238 HD12 LEU 31 2HD1 LEU 31 -4.614 -12.273 5.166 239 HD13 LEU 31 3HD1 LEU 31 -3.197 -11.511 5.888 240 HD21 LEU 31 3HD2 LEU 31 -4.043 -11.438 2.929 241 HD22 LEU 31 1HD2 LEU 31 -2.515 -11.875 2.171 242 HD23 LEU 31 2HD2 LEU 31 -2.545 -10.662 3.453 243 H HIS 32 H HIS 32 1.321 -11.367 3.618 244 HA HIS 32 HA HIS 32 0.196 -8.800 2.924 245 HD1 HIS 32 HD1 HIS 32 2.841 -10.669 5.569 246 HD2 HIS 32 HD2 HIS 32 4.726 -7.480 3.695 247 HE1 HIS 32 HE1 HIS 32 5.296 -11.173 5.632 248 HE2 HIS 32 HE2 HIS 32 6.411 -9.144 4.703 249 HB2 HIS 32 1HB HIS 32 2.015 -7.386 3.772 250 HB3 HIS 32 2HB HIS 32 1.362 -8.299 5.133 251 H LEU 33 H LEU 33 1.801 -7.680 1.358 252 HA LEU 33 HA LEU 33 2.847 -9.603 -0.532 253 HG LEU 33 HG LEU 33 0.605 -7.739 -0.862 254 HB2 LEU 33 1HB LEU 33 2.856 -6.569 -0.488 255 HB3 LEU 33 2HB LEU 33 3.475 -7.522 -1.828 256 HD11 LEU 33 1HD1 LEU 33 -0.036 -6.256 -2.703 257 HD12 LEU 33 2HD1 LEU 33 1.666 -5.954 -3.055 258 HD13 LEU 33 3HD1 LEU 33 0.975 -5.435 -1.517 259 HD21 LEU 33 3HD2 LEU 33 1.898 -8.566 -3.491 260 HD22 LEU 33 1HD2 LEU 33 0.185 -8.719 -3.085 261 HD23 LEU 33 2HD2 LEU 33 1.386 -9.656 -2.200 262 HA PRO 34 HA PRO 34 7.023 -9.913 0.919 263 HB2 PRO 34 1HB PRO 34 8.020 -9.807 -1.910 264 HB3 PRO 34 2HB PRO 34 8.129 -11.130 -0.736 265 HG2 PRO 34 1HG PRO 34 6.469 -11.228 -2.861 266 HG3 PRO 34 2HG PRO 34 6.060 -11.991 -1.313 267 HD2 PRO 34 1HD PRO 34 5.064 -9.406 -2.489 268 HD3 PRO 34 2HD PRO 34 4.189 -10.632 -1.543 269 H ASN 35 H ASN 35 6.643 -7.723 -1.810 270 HA ASN 35 HA ASN 35 8.846 -5.968 -1.044 271 HB2 ASN 35 1HB ASN 35 8.404 -4.914 -3.247 272 HB3 ASN 35 2HB ASN 35 8.617 -6.655 -3.397 273 HD21 ASN 35 2HD2 ASN 35 7.281 -4.811 -5.198 274 HD22 ASN 35 1HD2 ASN 35 5.668 -5.385 -5.367 275 H ALA 36 H ALA 36 5.930 -6.207 0.220 276 HA ALA 36 HA ALA 36 5.183 -3.379 0.245 277 HB1 ALA 36 3HB ALA 36 3.948 -5.721 1.726 278 HB2 ALA 36 1HB ALA 36 3.371 -5.027 0.212 279 HB3 ALA 36 2HB ALA 36 3.316 -4.072 1.695 280 H THR 37 H THR 37 6.103 -2.018 1.619 281 HA THR 37 HA THR 37 7.697 -2.841 3.881 282 HB THR 37 HB THR 37 6.862 -0.060 2.917 283 HG1 THR 37 HG1 THR 37 8.321 -1.673 1.635 284 HG21 THR 37 3HG2 THR 37 7.605 -0.007 5.281 285 HG22 THR 37 1HG2 THR 37 8.789 0.771 4.231 286 HG23 THR 37 2HG2 THR 37 9.091 -0.856 4.844 287 H LEU 38 H LEU 38 6.881 -3.154 5.915 288 HA LEU 38 HA LEU 38 4.179 -2.702 6.627 289 HG LEU 38 HG LEU 38 5.019 -2.241 9.872 290 HB2 LEU 38 1HB LEU 38 5.404 -4.428 7.777 291 HB3 LEU 38 2HB LEU 38 6.624 -3.291 8.327 292 HD11 LEU 38 1HD1 LEU 38 2.958 -4.183 8.789 293 HD12 LEU 38 2HD1 LEU 38 2.945 -2.428 8.630 294 HD13 LEU 38 3HD1 LEU 38 2.739 -3.168 10.215 295 HD21 LEU 38 3HD2 LEU 38 5.004 -5.264 10.171 296 HD22 LEU 38 1HD2 LEU 38 4.675 -4.096 11.453 297 HD23 LEU 38 2HD2 LEU 38 6.276 -4.171 10.721 298 H ILE 39 H ILE 39 3.398 -0.717 6.661 299 HA ILE 39 HA ILE 39 4.405 1.111 8.734 300 HB ILE 39 HB ILE 39 3.497 2.007 5.953 301 HG12 ILE 39 1HG1 ILE 39 6.184 2.404 7.363 302 HG13 ILE 39 2HG1 ILE 39 5.880 1.261 6.066 303 HG21 ILE 39 1HG2 ILE 39 2.559 3.511 7.669 304 HG22 ILE 39 2HG2 ILE 39 3.816 4.333 6.754 305 HG23 ILE 39 3HG2 ILE 39 4.161 3.738 8.377 306 HD11 ILE 39 3HD1 ILE 39 7.030 3.176 5.219 307 HD12 ILE 39 1HD1 ILE 39 5.805 4.257 5.876 308 HD13 ILE 39 2HD1 ILE 39 5.394 3.155 4.562 309 H SER 40 H SER 40 2.805 1.598 10.085 310 HA SER 40 HA SER 40 0.090 0.726 9.579 311 HG SER 40 HG SER 40 2.127 0.370 12.063 312 HB2 SER 40 1HB SER 40 1.209 2.342 11.906 313 HB3 SER 40 2HB SER 40 -0.394 1.606 11.831 314 H VAL 41 H VAL 41 -1.337 1.908 8.455 315 HA VAL 41 HA VAL 41 -1.027 4.292 7.193 316 HB VAL 41 HB VAL 41 -2.799 2.755 6.618 317 HG11 VAL 41 1HG1 VAL 41 -4.189 3.459 9.229 318 HG12 VAL 41 2HG1 VAL 41 -3.331 1.955 8.891 319 HG13 VAL 41 3HG1 VAL 41 -4.781 2.358 7.985 320 HG21 VAL 41 3HG2 VAL 41 -4.726 4.273 6.272 321 HG22 VAL 41 1HG2 VAL 41 -3.201 5.093 5.940 322 HG23 VAL 41 2HG2 VAL 41 -4.058 5.407 7.448 323 H ASN 42 H ASN 42 -2.022 3.945 10.583 324 HA ASN 42 HA ASN 42 -3.020 6.598 10.944 325 HB2 ASN 42 1HB ASN 42 -3.159 6.125 13.275 326 HB3 ASN 42 2HB ASN 42 -3.497 4.602 12.470 327 HD21 ASN 42 2HD2 ASN 42 -1.893 2.956 12.555 328 HD22 ASN 42 1HD2 ASN 42 -0.661 2.956 13.765 329 H ASP 43 H ASP 43 0.198 5.231 11.023 330 HA ASP 43 HA ASP 43 1.496 7.487 12.271 331 HB2 ASP 43 1HB ASP 43 2.627 5.050 10.827 332 HB3 ASP 43 2HB ASP 43 3.636 6.322 11.505 333 H GLN 44 H GLN 44 0.798 9.211 10.998 334 HA GLN 44 HA GLN 44 1.400 9.505 8.247 335 HB2 GLN 44 1HB GLN 44 0.731 11.455 10.461 336 HB3 GLN 44 2HB GLN 44 1.389 12.086 8.958 337 HG2 GLN 44 1HG GLN 44 -1.004 12.240 8.845 338 HG3 GLN 44 2HG GLN 44 -0.468 11.012 7.703 339 HE21 GLN 44 2HE2 GLN 44 -0.997 8.833 8.108 340 HE22 GLN 44 1HE2 GLN 44 -2.201 8.383 9.259 341 H GLU 45 H GLU 45 3.312 9.909 11.175 342 HA GLU 45 HA GLU 45 5.479 11.331 10.017 343 HB2 GLU 45 1HB GLU 45 6.757 10.660 12.049 344 HB3 GLU 45 2HB GLU 45 5.201 11.397 12.402 345 HG2 GLU 45 1HG GLU 45 4.234 9.232 12.944 346 HG3 GLU 45 2HG GLU 45 5.711 8.411 12.437 347 H LYS 46 H LYS 46 5.008 7.820 10.590 348 HA LYS 46 HA LYS 46 7.603 7.035 9.674 349 HB2 LYS 46 1HB LYS 46 6.349 5.611 11.226 350 HB3 LYS 46 2HB LYS 46 5.053 5.418 10.062 351 HG2 LYS 46 1HG LYS 46 6.281 3.373 10.113 352 HG3 LYS 46 2HG LYS 46 6.639 4.150 8.579 353 HD2 LYS 46 1HD LYS 46 8.535 4.533 10.903 354 HD3 LYS 46 2HD LYS 46 8.557 3.010 10.024 355 HE2 LYS 46 1HE LYS 46 9.086 4.185 7.943 356 HE3 LYS 46 2HE LYS 46 8.980 5.741 8.764 357 HZ1 LYS 46 3HZ LYS 46 10.970 3.606 9.311 358 HZ2 LYS 46 1HZ LYS 46 10.852 5.064 10.162 359 HZ3 LYS 46 2HZ LYS 46 11.263 5.074 8.522 360 H LEU 47 H LEU 47 4.395 7.139 8.178 361 HA LEU 47 HA LEU 47 5.054 5.860 5.751 362 HG LEU 47 HG LEU 47 2.999 7.438 3.873 363 HB2 LEU 47 1HB LEU 47 2.758 6.197 6.645 364 HB3 LEU 47 2HB LEU 47 2.888 7.907 6.298 365 HD11 LEU 47 1HD1 LEU 47 2.611 5.164 2.993 366 HD12 LEU 47 2HD1 LEU 47 2.701 4.510 4.628 367 HD13 LEU 47 3HD1 LEU 47 4.120 5.261 3.897 368 HD21 LEU 47 3HD2 LEU 47 0.655 6.061 5.228 369 HD22 LEU 47 1HD2 LEU 47 0.687 6.673 3.571 370 HD23 LEU 47 2HD2 LEU 47 0.804 7.793 4.923 371 H ALA 48 H ALA 48 4.900 9.269 6.659 372 HA ALA 48 HA ALA 48 5.660 10.343 4.125 373 HB1 ALA 48 3HB ALA 48 4.324 11.604 5.740 374 HB2 ALA 48 1HB ALA 48 5.811 12.470 5.336 375 HB3 ALA 48 2HB ALA 48 5.677 11.610 6.873 376 H ASP 49 H ASP 49 7.443 9.290 6.990 377 HA ASP 49 HA ASP 49 9.989 10.374 6.404 378 HB2 ASP 49 1HB ASP 49 9.594 9.434 8.606 379 HB3 ASP 49 2HB ASP 49 9.143 7.876 7.926 380 H PHE 50 H PHE 50 8.575 7.184 5.671 381 HA PHE 50 HA PHE 50 10.603 6.055 4.128 382 HD1 PHE 50 HD2 PHE 50 10.276 3.150 4.030 383 HD2 PHE 50 HD1 PHE 50 7.420 5.066 1.483 384 HE1 PHE 50 HE2 PHE 50 10.664 1.449 2.302 385 HE2 PHE 50 HE1 PHE 50 7.826 3.361 -0.242 386 HZ PHE 50 HZ PHE 50 9.449 1.555 0.167 387 HB2 PHE 50 1HB PHE 50 8.617 4.804 4.938 388 HB3 PHE 50 2HB PHE 50 7.583 5.704 3.835 389 H LEU 51 H LEU 51 7.983 8.220 3.220 390 HA LEU 51 HA LEU 51 8.572 8.214 0.412 391 HG LEU 51 HG LEU 51 5.910 7.708 1.965 392 HB2 LEU 51 1HB LEU 51 6.792 10.022 2.072 393 HB3 LEU 51 2HB LEU 51 6.896 10.070 0.316 394 HD11 LEU 51 1HD1 LEU 51 4.311 9.544 1.950 395 HD12 LEU 51 2HD1 LEU 51 3.711 8.188 1.001 396 HD13 LEU 51 3HD1 LEU 51 4.369 9.609 0.187 397 HD21 LEU 51 3HD2 LEU 51 5.282 6.673 -0.187 398 HD22 LEU 51 1HD2 LEU 51 7.025 6.894 -0.050 399 HD23 LEU 51 2HD2 LEU 51 6.075 7.989 -1.056 400 H SER 52 H SER 52 9.669 10.096 3.151 401 HA SER 52 HA SER 52 10.697 12.318 1.620 402 HG SER 52 HG SER 52 11.447 14.101 3.286 403 HB2 SER 52 1HB SER 52 9.953 12.582 3.985 404 HB3 SER 52 2HB SER 52 11.276 11.536 4.509 405 H GLN 53 H GLN 53 11.825 9.151 2.367 406 HA GLN 53 HA GLN 53 14.604 9.435 2.476 407 HB2 GLN 53 1HB GLN 53 13.058 7.125 1.230 408 HB3 GLN 53 2HB GLN 53 14.737 7.067 1.760 409 HG2 GLN 53 1HG GLN 53 12.295 7.423 3.518 410 HG3 GLN 53 2HG GLN 53 13.303 5.985 3.394 411 HE21 GLN 53 2HE2 GLN 53 12.604 7.738 5.703 412 HE22 GLN 53 1HE2 GLN 53 14.112 8.204 6.395 413 H HIS 54 H HIS 54 12.520 9.734 -0.295 414 HA HIS 54 HA HIS 54 14.721 10.729 -1.907 415 HD1 HIS 54 HD1 HIS 54 14.841 6.318 -2.598 416 HD2 HIS 54 HD2 HIS 54 16.720 9.945 -3.319 417 HE1 HIS 54 HE1 HIS 54 17.290 5.800 -2.685 418 HE2 HIS 54 HE2 HIS 54 18.381 7.976 -3.331 419 HB2 HIS 54 1HB HIS 54 13.207 8.213 -2.655 420 HB3 HIS 54 2HB HIS 54 13.705 9.293 -3.958 421 H LYS 55 H LYS 55 11.301 10.209 -1.500 422 HA LYS 55 HA LYS 55 9.400 11.154 -2.144 423 HB2 LYS 55 1HB LYS 55 11.157 13.480 -2.977 424 HB3 LYS 55 2HB LYS 55 9.417 13.486 -3.239 425 HG2 LYS 55 1HG LYS 55 9.186 13.082 -0.717 426 HG3 LYS 55 2HG LYS 55 10.906 13.458 -0.608 427 HD2 LYS 55 1HD LYS 55 9.559 15.453 -0.106 428 HD3 LYS 55 2HD LYS 55 10.486 15.696 -1.587 429 HE2 LYS 55 1HE LYS 55 8.474 15.241 -2.938 430 HE3 LYS 55 2HE LYS 55 7.547 14.922 -1.469 431 HZ1 LYS 55 3HZ LYS 55 7.875 17.211 -0.798 432 HZ2 LYS 55 1HZ LYS 55 7.158 17.150 -2.328 433 HZ3 LYS 55 2HZ LYS 55 8.801 17.520 -2.178 434 H ASP 56 H ASP 56 11.813 11.719 -4.726 435 HA ASP 56 HA ASP 56 9.948 10.939 -6.789 436 HB2 ASP 56 1HB ASP 56 11.662 12.708 -7.197 437 HB3 ASP 56 2HB ASP 56 12.938 11.512 -6.975 438 H LYS 57 H LYS 57 9.544 8.889 -5.723 439 HA LYS 57 HA LYS 57 10.786 6.861 -7.344 440 HB2 LYS 57 1HB LYS 57 11.295 5.254 -5.651 441 HB3 LYS 57 2HB LYS 57 12.084 6.739 -5.153 442 HG2 LYS 57 1HG LYS 57 9.438 5.779 -4.032 443 HG3 LYS 57 2HG LYS 57 11.003 5.406 -3.310 444 HD2 LYS 57 1HD LYS 57 11.421 7.793 -2.912 445 HD3 LYS 57 2HD LYS 57 9.904 8.219 -3.707 446 HE2 LYS 57 1HE LYS 57 9.764 8.250 -1.213 447 HE3 LYS 57 2HE LYS 57 8.614 7.147 -1.967 448 HZ1 LYS 57 3HZ LYS 57 11.201 6.346 -0.742 449 HZ2 LYS 57 1HZ LYS 57 10.057 5.300 -1.411 450 HZ3 LYS 57 2HZ LYS 57 9.686 6.182 -0.017 451 H LYS 58 H LYS 58 9.373 4.983 -7.516 452 HA LYS 58 HA LYS 58 6.589 5.863 -7.545 453 HB2 LYS 58 1HB LYS 58 7.922 4.816 -9.499 454 HB3 LYS 58 2HB LYS 58 7.658 3.270 -8.683 455 HG2 LYS 58 1HG LYS 58 5.294 3.423 -8.937 456 HG3 LYS 58 2HG LYS 58 5.376 5.129 -9.392 457 HD2 LYS 58 1HD LYS 58 4.970 3.677 -11.350 458 HD3 LYS 58 2HD LYS 58 6.484 4.571 -11.475 459 HE2 LYS 58 1HE LYS 58 7.742 2.553 -10.792 460 HE3 LYS 58 2HE LYS 58 6.227 1.660 -10.634 461 HZ1 LYS 58 3HZ LYS 58 7.445 1.263 -12.736 462 HZ2 LYS 58 1HZ LYS 58 7.174 2.875 -13.172 463 HZ3 LYS 58 2HZ LYS 58 5.869 1.820 -12.967 464 H VAL 59 H VAL 59 5.631 5.544 -5.568 465 HA VAL 59 HA VAL 59 5.926 2.921 -4.227 466 HB VAL 59 HB VAL 59 5.345 5.652 -2.995 467 HG11 VAL 59 1HG1 VAL 59 5.451 2.942 -1.610 468 HG12 VAL 59 2HG1 VAL 59 4.023 3.959 -1.806 469 HG13 VAL 59 3HG1 VAL 59 5.357 4.506 -0.791 470 HG21 VAL 59 3HG2 VAL 59 7.709 5.287 -3.552 471 HG22 VAL 59 1HG2 VAL 59 7.710 3.760 -2.667 472 HG23 VAL 59 2HG2 VAL 59 7.487 5.285 -1.804 473 H LEU 60 H LEU 60 4.186 1.774 -3.734 474 HA LEU 60 HA LEU 60 1.490 2.766 -4.475 475 HG LEU 60 HG LEU 60 0.097 0.103 -4.224 476 HB2 LEU 60 1HB LEU 60 2.398 1.012 -5.989 477 HB3 LEU 60 2HB LEU 60 2.647 -0.046 -4.609 478 HD11 LEU 60 1HD1 LEU 60 0.149 1.181 -7.059 479 HD12 LEU 60 2HD1 LEU 60 -0.361 2.059 -5.615 480 HD13 LEU 60 3HD1 LEU 60 -1.288 0.669 -6.168 481 HD21 LEU 60 3HD2 LEU 60 1.176 -1.916 -5.073 482 HD22 LEU 60 1HD2 LEU 60 1.117 -1.284 -6.720 483 HD23 LEU 60 2HD2 LEU 60 -0.378 -1.665 -5.864 484 H LEU 61 H LEU 61 0.475 3.200 -2.543 485 HA LEU 61 HA LEU 61 0.986 1.664 -0.122 486 HG LEU 61 HG LEU 61 0.961 4.924 -1.106 487 HB2 LEU 61 1HB LEU 61 -1.142 3.798 -0.567 488 HB3 LEU 61 2HB LEU 61 -0.499 3.245 0.968 489 HD11 LEU 61 1HD1 LEU 61 0.110 5.625 1.715 490 HD12 LEU 61 2HD1 LEU 61 -0.680 6.174 0.238 491 HD13 LEU 61 3HD1 LEU 61 0.972 6.678 0.589 492 HD21 LEU 61 3HD2 LEU 61 2.847 5.026 0.483 493 HD22 LEU 61 1HD2 LEU 61 2.571 3.387 -0.105 494 HD23 LEU 61 2HD2 LEU 61 2.039 3.843 1.515 495 H HIS 62 H HIS 62 0.158 -0.432 -0.329 496 HA HIS 62 HA HIS 62 -2.489 -0.841 -1.529 497 HD1 HIS 62 HD1 HIS 62 -2.577 -4.535 0.135 498 HD2 HIS 62 HD2 HIS 62 1.343 -3.196 0.217 499 HE1 HIS 62 HE1 HIS 62 -1.431 -5.926 1.874 500 HE2 HIS 62 HE2 HIS 62 0.853 -4.913 2.072 501 HB2 HIS 62 1HB HIS 62 -1.917 -3.059 -1.905 502 HB3 HIS 62 2HB HIS 62 -0.313 -2.344 -1.902 503 H CYS 63 H CYS 63 -4.251 -1.728 -0.483 504 HA CYS 63 HA CYS 63 -4.155 -1.849 2.492 505 HG CYS 63 HG CYS 63 -6.377 -1.108 4.113 506 HB2 CYS 63 1HB CYS 63 -5.186 0.247 1.900 507 HB3 CYS 63 2HB CYS 63 -6.261 -0.545 0.736 508 H ARG 64 H ARG 64 -5.802 -3.046 3.511 509 HA ARG 64 HA ARG 64 -6.321 -5.620 2.667 510 HE ARG 64 HE ARG 64 -9.916 -7.425 6.220 511 HB2 ARG 64 1HB ARG 64 -6.368 -4.931 4.993 512 HB3 ARG 64 2HB ARG 64 -7.774 -3.918 4.716 513 HG2 ARG 64 1HG ARG 64 -9.224 -5.807 4.523 514 HG3 ARG 64 2HG ARG 64 -7.870 -6.929 4.333 515 HD2 ARG 64 1HD ARG 64 -7.208 -6.665 6.604 516 HD3 ARG 64 2HD ARG 64 -8.281 -5.293 6.845 517 HH11 ARG 64 1HH1 ARG 64 -7.484 -6.857 8.708 518 HH12 ARG 64 2HH1 ARG 64 -8.352 -7.747 9.919 519 HH21 ARG 64 1HH2 ARG 64 -11.035 -8.589 7.852 520 HH22 ARG 64 2HH2 ARG 64 -10.351 -8.714 9.440 521 H ALA 65 H ALA 65 -8.272 -2.740 2.082 522 HA ALA 65 HA ALA 65 -9.818 -4.274 0.102 523 HB1 ALA 65 3HB ALA 65 -11.236 -4.243 2.118 524 HB2 ALA 65 1HB ALA 65 -11.957 -3.293 0.817 525 HB3 ALA 65 2HB ALA 65 -11.153 -2.481 2.162 526 H GLY 66 H GLY 66 -9.048 -1.001 1.401 527 HA2 GLY 66 1HA GLY 66 -7.851 0.088 -0.748 528 HA3 GLY 66 2HA GLY 66 -9.536 0.238 -1.211 529 H ARG 67 H ARG 67 -10.077 0.626 1.837 530 HA ARG 67 HA ARG 67 -10.340 3.437 1.692 531 HE ARG 67 HE ARG 67 -9.510 5.453 3.902 532 HB2 ARG 67 1HB ARG 67 -11.580 1.554 3.185 533 HB3 ARG 67 2HB ARG 67 -10.432 2.098 4.389 534 HG2 ARG 67 1HG ARG 67 -12.342 3.980 2.963 535 HG3 ARG 67 2HG ARG 67 -12.760 3.139 4.447 536 HD2 ARG 67 1HD ARG 67 -12.119 5.302 5.152 537 HD3 ARG 67 2HD ARG 67 -10.709 4.305 5.491 538 HH11 ARG 67 1HH1 ARG 67 -12.861 6.419 3.569 539 HH12 ARG 67 2HH1 ARG 67 -12.493 7.800 2.592 540 HH21 ARG 67 1HH2 ARG 67 -9.040 7.255 2.605 541 HH22 ARG 67 2HH2 ARG 67 -10.319 8.290 2.065 542 H ARG 68 H ARG 68 -8.121 1.391 3.634 543 HA ARG 68 HA ARG 68 -6.726 3.499 4.909 544 HE ARG 68 HE ARG 68 -8.209 0.252 8.172 545 HB2 ARG 68 1HB ARG 68 -5.621 0.737 4.244 546 HB3 ARG 68 2HB ARG 68 -4.985 1.845 5.450 547 HG2 ARG 68 1HG ARG 68 -7.644 0.402 5.550 548 HG3 ARG 68 2HG ARG 68 -6.210 0.048 6.508 549 HD2 ARG 68 1HD ARG 68 -6.447 2.474 7.393 550 HD3 ARG 68 2HD ARG 68 -8.071 2.418 6.713 551 HH11 ARG 68 1HH1 ARG 68 -6.779 3.329 9.108 552 HH12 ARG 68 2HH1 ARG 68 -6.973 3.041 10.806 553 HH21 ARG 68 1HH2 ARG 68 -8.453 -0.101 10.410 554 HH22 ARG 68 2HH2 ARG 68 -7.912 1.096 11.543 555 H ALA 69 H ALA 69 -6.281 1.948 1.792 556 HA ALA 69 HA ALA 69 -3.718 2.895 1.066 557 HB1 ALA 69 3HB ALA 69 -6.081 2.212 -0.719 558 HB2 ALA 69 1HB ALA 69 -4.854 1.083 -0.142 559 HB3 ALA 69 2HB ALA 69 -4.404 2.376 -1.250 560 H LEU 70 H LEU 70 -6.950 4.082 0.242 561 HA LEU 70 HA LEU 70 -6.253 6.428 -1.097 562 HG LEU 70 HG LEU 70 -8.762 8.158 0.074 563 HB2 LEU 70 1HB LEU 70 -8.480 5.425 -1.247 564 HB3 LEU 70 2HB LEU 70 -8.756 5.700 0.467 565 HD11 LEU 70 1HD1 LEU 70 -8.522 7.487 -2.875 566 HD12 LEU 70 2HD1 LEU 70 -7.303 8.294 -1.888 567 HD13 LEU 70 3HD1 LEU 70 -8.844 9.085 -2.198 568 HD21 LEU 70 3HD2 LEU 70 -10.890 6.934 0.058 569 HD22 LEU 70 1HD2 LEU 70 -10.733 6.650 -1.679 570 HD23 LEU 70 2HD2 LEU 70 -10.937 8.291 -1.060 571 H ASP 71 H ASP 71 -7.219 5.945 2.304 572 HA ASP 71 HA ASP 71 -7.209 8.570 3.226 573 HB2 ASP 71 1HB ASP 71 -8.169 6.692 4.497 574 HB3 ASP 71 2HB ASP 71 -6.572 5.995 4.734 575 H ALA 72 H ALA 72 -4.605 6.173 3.410 576 HA ALA 72 HA ALA 72 -2.558 7.652 4.577 577 HB1 ALA 72 3HB ALA 72 -1.069 5.951 3.541 578 HB2 ALA 72 1HB ALA 72 -2.404 5.411 2.527 579 HB3 ALA 72 2HB ALA 72 -2.490 5.220 4.280 580 H ALA 73 H ALA 73 -3.293 7.179 1.111 581 HA ALA 73 HA ALA 73 -1.083 8.657 0.130 582 HB1 ALA 73 3HB ALA 73 -2.160 8.445 -2.063 583 HB2 ALA 73 1HB ALA 73 -3.647 7.890 -1.292 584 HB3 ALA 73 2HB ALA 73 -2.181 6.912 -1.192 585 H LYS 74 H LYS 74 -4.463 9.586 0.849 586 HA LYS 74 HA LYS 74 -4.464 12.100 -0.463 587 HB2 LYS 74 1HB LYS 74 -6.098 11.335 1.995 588 HB3 LYS 74 2HB LYS 74 -6.387 12.731 0.963 589 HG2 LYS 74 1HG LYS 74 -6.629 10.911 -0.940 590 HG3 LYS 74 2HG LYS 74 -6.899 9.824 0.414 591 HD2 LYS 74 1HD LYS 74 -9.072 10.470 -0.218 592 HD3 LYS 74 2HD LYS 74 -8.730 11.506 1.169 593 HE2 LYS 74 1HE LYS 74 -8.187 13.368 -0.354 594 HE3 LYS 74 2HE LYS 74 -8.451 12.315 -1.752 595 HZ1 LYS 74 3HZ LYS 74 -10.770 12.094 -1.067 596 HZ2 LYS 74 1HZ LYS 74 -10.357 13.709 -1.351 597 HZ3 LYS 74 2HZ LYS 74 -10.502 13.141 0.233 598 H SER 75 H SER 75 -3.910 11.242 2.937 599 HA SER 75 HA SER 75 -3.298 13.695 4.038 600 HG SER 75 HG SER 75 -3.990 10.536 5.185 601 HB2 SER 75 1HB SER 75 -1.993 11.022 4.734 602 HB3 SER 75 2HB SER 75 -2.093 12.436 5.787 603 H MET 76 H MET 76 -1.114 11.453 2.330 604 HA MET 76 HA MET 76 1.251 13.028 2.785 605 HB2 MET 76 1HB MET 76 0.660 10.539 1.177 606 HB3 MET 76 2HB MET 76 2.220 11.352 1.018 607 HG2 MET 76 1HG MET 76 2.198 9.490 2.687 608 HG3 MET 76 2HG MET 76 2.716 11.049 3.334 609 HE1 MET 76 3HE MET 76 0.945 10.181 6.543 610 HE2 MET 76 1HE MET 76 2.173 11.192 5.788 611 HE3 MET 76 2HE MET 76 2.252 9.440 5.626 612 H HIS 77 H HIS 77 -0.996 12.761 0.047 613 HA HIS 77 HA HIS 77 0.458 14.451 -1.718 614 HD1 HIS 77 HD1 HIS 77 -1.126 14.233 -4.898 615 HD2 HIS 77 HD2 HIS 77 -1.115 11.043 -2.236 616 HE1 HIS 77 HE1 HIS 77 -0.643 12.192 -6.277 617 HE2 HIS 77 HE2 HIS 77 -0.741 10.270 -4.656 618 HB2 HIS 77 1HB HIS 77 -2.432 13.602 -1.556 619 HB3 HIS 77 2HB HIS 77 -1.989 14.901 -2.650 620 H GLU 78 H GLU 78 -1.680 15.093 0.988 621 HA GLU 78 HA GLU 78 -1.877 17.938 0.652 622 HB2 GLU 78 1HB GLU 78 -2.234 16.264 3.174 623 HB3 GLU 78 2HB GLU 78 -2.799 17.914 2.948 624 HG2 GLU 78 1HG GLU 78 -3.761 15.554 1.323 625 HG3 GLU 78 2HG GLU 78 -4.573 16.130 2.762 626 H LEU 79 H LEU 79 0.413 15.747 2.199 627 HA LEU 79 HA LEU 79 1.886 17.763 3.643 628 HG LEU 79 HG LEU 79 0.866 14.724 4.387 629 HB2 LEU 79 1HB LEU 79 2.726 14.946 2.877 630 HB3 LEU 79 2HB LEU 79 3.586 15.986 3.999 631 HD11 LEU 79 1HD1 LEU 79 2.703 13.183 4.772 632 HD12 LEU 79 2HD1 LEU 79 1.894 13.568 6.289 633 HD13 LEU 79 3HD1 LEU 79 3.446 14.316 5.905 634 HD21 LEU 79 3HD2 LEU 79 2.239 16.711 6.222 635 HD22 LEU 79 1HD2 LEU 79 0.807 15.765 6.637 636 HD23 LEU 79 2HD2 LEU 79 0.728 16.956 5.343 637 H GLY 80 H GLY 80 1.962 16.503 0.399 638 HA2 GLY 80 1HA GLY 80 2.953 18.059 -1.254 639 HA3 GLY 80 2HA GLY 80 4.373 18.141 -0.232 640 H TYR 81 H TYR 81 3.380 15.006 -0.086 641 HA TYR 81 HA TYR 81 5.276 14.041 -2.095 642 HD1 TYR 81 HD1 TYR 81 7.167 12.672 -0.470 643 HD2 TYR 81 HD2 TYR 81 3.697 13.383 1.916 644 HE1 TYR 81 HE1 TYR 81 8.596 13.165 1.463 645 HE2 TYR 81 HE2 TYR 81 5.129 13.876 3.849 646 HH TYR 81 HH TYR 81 7.406 13.376 4.638 647 HB2 TYR 81 1HB TYR 81 3.443 12.427 -0.261 648 HB3 TYR 81 2HB TYR 81 4.845 11.821 -1.148 649 H THR 82 H THR 82 4.483 12.075 -3.435 650 HA THR 82 HA THR 82 1.660 12.201 -4.260 651 HB THR 82 HB THR 82 2.482 11.941 -6.734 652 HG1 THR 82 HG1 THR 82 4.651 11.712 -6.519 653 HG21 THR 82 3HG2 THR 82 2.823 14.647 -5.404 654 HG22 THR 82 1HG2 THR 82 1.302 13.960 -5.981 655 HG23 THR 82 2HG2 THR 82 2.581 14.362 -7.129 656 HA PRO 83 HA PRO 83 3.172 7.743 -4.073 657 HB2 PRO 83 1HB PRO 83 1.670 6.848 -1.989 658 HB3 PRO 83 2HB PRO 83 3.247 7.614 -1.736 659 HG2 PRO 83 1HG PRO 83 0.492 8.845 -1.521 660 HG3 PRO 83 2HG PRO 83 1.865 8.968 -0.397 661 HD2 PRO 83 1HD PRO 83 1.301 10.919 -2.204 662 HD3 PRO 83 2HD PRO 83 2.961 10.551 -1.693 663 H TYR 84 H TYR 84 2.070 6.255 -5.236 664 HA TYR 84 HA TYR 84 -0.693 6.538 -6.051 665 HD1 TYR 84 HD1 TYR 84 3.158 5.636 -7.043 666 HD2 TYR 84 HD2 TYR 84 -0.555 5.754 -9.168 667 HE1 TYR 84 HE1 TYR 84 4.262 6.785 -8.913 668 HE2 TYR 84 HE2 TYR 84 0.558 6.905 -11.031 669 HH TYR 84 HH TYR 84 3.943 7.123 -11.308 670 HB2 TYR 84 1HB TYR 84 1.224 4.175 -6.372 671 HB3 TYR 84 2HB TYR 84 -0.333 4.343 -7.180 672 H TYR 85 H TYR 85 -2.191 4.554 -5.681 673 HA TYR 85 HA TYR 85 -1.724 3.133 -3.180 674 HD1 TYR 85 HD2 TYR 85 -3.125 6.928 -4.127 675 HD2 TYR 85 HD1 TYR 85 -6.050 3.964 -3.158 676 HE1 TYR 85 HE2 TYR 85 -4.861 8.291 -5.185 677 HE2 TYR 85 HE1 TYR 85 -7.785 5.337 -4.221 678 HH TYR 85 HH TYR 85 -8.205 7.630 -4.842 679 HB2 TYR 85 1HB TYR 85 -3.845 3.864 -2.131 680 HB3 TYR 85 2HB TYR 85 -2.711 5.186 -2.329 681 H LEU 86 H LEU 86 -2.760 1.244 -3.045 682 HA LEU 86 HA LEU 86 -4.165 0.298 -5.441 683 HG LEU 86 HG LEU 86 -2.510 -3.055 -5.138 684 HB2 LEU 86 1HB LEU 86 -2.008 -0.789 -4.797 685 HB3 LEU 86 2HB LEU 86 -2.720 -1.291 -3.281 686 HD11 LEU 86 1HD1 LEU 86 -5.274 -2.722 -3.980 687 HD12 LEU 86 2HD1 LEU 86 -3.901 -3.482 -3.178 688 HD13 LEU 86 3HD1 LEU 86 -4.581 -4.211 -4.630 689 HD21 LEU 86 3HD2 LEU 86 -4.878 -1.607 -6.318 690 HD22 LEU 86 1HD2 LEU 86 -4.206 -3.145 -6.866 691 HD23 LEU 86 2HD2 LEU 86 -3.254 -1.669 -7.007 692 H GLU 87 H GLU 87 -6.237 0.382 -5.227 693 HA GLU 87 HA GLU 87 -7.638 -0.415 -2.767 694 HB2 GLU 87 1HB GLU 87 -8.748 0.575 -5.436 695 HB3 GLU 87 2HB GLU 87 -9.673 0.308 -3.961 696 HG2 GLU 87 1HG GLU 87 -8.260 2.082 -2.848 697 HG3 GLU 87 2HG GLU 87 -7.541 2.416 -4.420 698 H GLY 88 H GLY 88 -7.772 -2.525 -2.521 699 HA2 GLY 88 1HA GLY 88 -9.093 -4.344 -4.171 700 HA3 GLY 88 2HA GLY 88 -7.368 -4.519 -4.494 701 H ASN 89 H ASN 89 -9.005 -6.544 -3.300 702 HA ASN 89 HA ASN 89 -8.821 -6.426 -0.424 703 HB2 ASN 89 1HB ASN 89 -10.642 -7.650 -1.706 704 HB3 ASN 89 2HB ASN 89 -9.462 -8.868 -2.138 705 HD21 ASN 89 2HD2 ASN 89 -11.829 -9.374 -0.727 706 HD22 ASN 89 1HD2 ASN 89 -11.424 -9.943 0.850 707 H VAL 90 H VAL 90 -7.139 -7.056 0.820 708 HA VAL 90 HA VAL 90 -4.621 -7.720 -0.230 709 HB VAL 90 HB VAL 90 -4.951 -6.570 1.965 710 HG11 VAL 90 1HG1 VAL 90 -6.758 -7.939 2.909 711 HG12 VAL 90 2HG1 VAL 90 -5.397 -7.834 4.026 712 HG13 VAL 90 3HG1 VAL 90 -5.654 -9.306 3.085 713 HG21 VAL 90 3HG2 VAL 90 -3.197 -9.046 2.152 714 HG22 VAL 90 1HG2 VAL 90 -3.054 -7.598 3.152 715 HG23 VAL 90 2HG2 VAL 90 -2.744 -7.505 1.415 716 H TYR 91 H TYR 91 -7.174 -9.736 1.068 717 HA TYR 91 HA TYR 91 -5.687 -12.172 1.265 718 HD1 TYR 91 HD1 TYR 91 -6.304 -12.886 3.787 719 HD2 TYR 91 HD2 TYR 91 -9.318 -10.069 2.677 720 HE1 TYR 91 HE1 TYR 91 -6.303 -11.966 6.062 721 HE2 TYR 91 HE2 TYR 91 -9.298 -9.149 4.952 722 HH TYR 91 HH TYR 91 -6.880 -9.829 7.177 723 HB2 TYR 91 1HB TYR 91 -8.709 -11.771 1.115 724 HB3 TYR 91 2HB TYR 91 -7.885 -13.215 1.700 725 H ASP 92 H ASP 92 -7.406 -10.518 -1.262 726 HA ASP 92 HA ASP 92 -7.695 -12.865 -2.952 727 HB2 ASP 92 1HB ASP 92 -8.649 -10.017 -3.209 728 HB3 ASP 92 2HB ASP 92 -8.649 -11.079 -4.618 729 H PHE 93 H PHE 93 -5.265 -10.480 -2.525 730 HA PHE 93 HA PHE 93 -4.116 -10.287 -5.065 731 HD1 PHE 93 HD2 PHE 93 -4.798 -8.386 -4.223 732 HD2 PHE 93 HD1 PHE 93 -1.534 -8.553 -1.487 733 HE1 PHE 93 HE2 PHE 93 -5.298 -6.102 -3.497 734 HE2 PHE 93 HE1 PHE 93 -2.031 -6.269 -0.773 735 HZ PHE 93 HZ PHE 93 -3.906 -5.029 -1.766 736 HB2 PHE 93 1HB PHE 93 -2.581 -10.647 -2.459 737 HB3 PHE 93 2HB PHE 93 -1.904 -10.026 -3.961 738 H GLU 94 H GLU 94 -3.613 -12.783 -2.607 739 HA GLU 94 HA GLU 94 -1.652 -14.285 -3.919 740 HB2 GLU 94 1HB GLU 94 -2.353 -14.235 -1.427 741 HB3 GLU 94 2HB GLU 94 -3.595 -15.399 -1.860 742 HG2 GLU 94 1HG GLU 94 -0.648 -15.878 -2.383 743 HG3 GLU 94 2HG GLU 94 -1.421 -16.301 -0.863 744 H LYS 95 H LYS 95 -5.176 -14.865 -3.677 745 HA LYS 95 HA LYS 95 -5.169 -17.234 -5.271 746 HB2 LYS 95 1HB LYS 95 -7.676 -16.997 -5.231 747 HB3 LYS 95 2HB LYS 95 -6.919 -16.971 -3.643 748 HG2 LYS 95 1HG LYS 95 -7.051 -14.462 -3.700 749 HG3 LYS 95 2HG LYS 95 -8.000 -14.598 -5.178 750 HD2 LYS 95 1HD LYS 95 -8.826 -15.916 -2.556 751 HD3 LYS 95 2HD LYS 95 -9.317 -14.282 -3.011 752 HE2 LYS 95 1HE LYS 95 -9.921 -16.759 -4.656 753 HE3 LYS 95 2HE LYS 95 -11.039 -16.016 -3.510 754 HZ1 LYS 95 3HZ LYS 95 -10.916 -13.967 -4.807 755 HZ2 LYS 95 1HZ LYS 95 -11.505 -15.265 -5.720 756 HZ3 LYS 95 2HZ LYS 95 -9.920 -14.734 -5.938 757 H TYR 96 H TYR 96 -5.442 -13.820 -6.111 758 HA TYR 96 HA TYR 96 -6.294 -14.226 -8.829 759 HD1 TYR 96 HD1 TYR 96 -7.804 -13.321 -6.786 760 HD2 TYR 96 HD2 TYR 96 -6.830 -10.047 -9.364 761 HE1 TYR 96 HE1 TYR 96 -10.109 -12.489 -6.607 762 HE2 TYR 96 HE2 TYR 96 -9.135 -9.219 -9.176 763 HH TYR 96 HH TYR 96 -11.317 -10.330 -6.845 764 HB2 TYR 96 1HB TYR 96 -5.132 -11.865 -7.333 765 HB3 TYR 96 2HB TYR 96 -5.226 -11.808 -9.089 766 H GLY 97 H GLY 97 -3.236 -14.401 -7.150 767 HA2 GLY 97 1HA GLY 97 -1.773 -16.111 -8.251 768 HA3 GLY 97 2HA GLY 97 -1.883 -15.142 -9.712 769 H PHE 98 H PHE 98 -1.763 -13.067 -7.109 770 HA PHE 98 HA PHE 98 0.971 -12.294 -7.676 771 HD1 PHE 98 HD1 PHE 98 0.925 -9.394 -8.348 772 HD2 PHE 98 HD2 PHE 98 -2.931 -10.956 -7.351 773 HE1 PHE 98 HE1 PHE 98 -0.053 -8.205 -10.261 774 HE2 PHE 98 HE2 PHE 98 -3.902 -9.756 -9.266 775 HZ PHE 98 HZ PHE 98 -2.468 -8.381 -10.719 776 HB2 PHE 98 1HB PHE 98 -1.075 -11.110 -5.750 777 HB3 PHE 98 2HB PHE 98 0.493 -10.393 -6.119 778 H ARG 99 H ARG 99 2.706 -12.822 -6.523 779 HA ARG 99 HA ARG 99 2.792 -14.723 -4.458 780 HE ARG 99 HE ARG 99 7.722 -14.755 -2.667 781 HB2 ARG 99 1HB ARG 99 4.744 -14.519 -5.761 782 HB3 ARG 99 2HB ARG 99 4.766 -12.770 -5.655 783 HG2 ARG 99 1HG ARG 99 6.657 -13.650 -4.451 784 HG3 ARG 99 2HG ARG 99 5.536 -12.936 -3.310 785 HD2 ARG 99 1HD ARG 99 4.802 -15.106 -2.558 786 HD3 ARG 99 2HD ARG 99 5.720 -15.916 -3.839 787 HH11 ARG 99 1HH1 ARG 99 4.973 -16.161 -0.950 788 HH12 ARG 99 2HH1 ARG 99 5.913 -16.521 0.460 789 HH21 ARG 99 1HH2 ARG 99 8.899 -15.221 -0.809 790 HH22 ARG 99 2HH2 ARG 99 8.123 -15.978 0.546 791 H MET 100 H MET 100 2.683 -14.595 -2.323 792 HA MET 100 HA MET 100 2.860 -12.039 -0.873 793 HB2 MET 100 1HB MET 100 0.567 -14.005 -0.428 794 HB3 MET 100 2HB MET 100 0.836 -12.500 0.439 795 HG2 MET 100 1HG MET 100 0.527 -11.321 -1.813 796 HG3 MET 100 2HG MET 100 -0.079 -12.864 -2.413 797 HE1 MET 100 3HE MET 100 -0.722 -9.758 -0.200 798 HE2 MET 100 1HE MET 100 -0.475 -10.987 1.047 799 HE3 MET 100 2HE MET 100 -2.072 -10.275 0.818 800 H VAL 101 H VAL 101 3.589 -12.219 1.213 801 HA VAL 101 HA VAL 101 4.706 -14.799 2.089 802 HB VAL 101 HB VAL 101 5.292 -11.960 3.062 803 HG11 VAL 101 1HG1 VAL 101 6.690 -14.561 3.806 804 HG12 VAL 101 2HG1 VAL 101 5.703 -13.562 4.873 805 HG13 VAL 101 3HG1 VAL 101 7.236 -12.942 4.261 806 HG21 VAL 101 3HG2 VAL 101 6.949 -13.794 1.291 807 HG22 VAL 101 1HG2 VAL 101 7.428 -12.192 1.864 808 HG23 VAL 101 2HG2 VAL 101 6.063 -12.362 0.762 809 H TYR 102 H TYR 102 3.531 -15.906 3.454 810 HA TYR 102 HA TYR 102 1.694 -14.673 5.414 811 HD1 TYR 102 HD2 TYR 102 1.453 -15.688 2.261 812 HD2 TYR 102 HD1 TYR 102 -1.276 -17.198 5.193 813 HE1 TYR 102 HE2 TYR 102 -0.431 -15.229 0.752 814 HE2 TYR 102 HE1 TYR 102 -3.151 -16.741 3.678 815 HH TYR 102 HH TYR 102 -2.734 -15.962 0.391 816 HB2 TYR 102 1HB TYR 102 2.018 -17.531 4.365 817 HB3 TYR 102 2HB TYR 102 0.993 -17.141 5.739 818 H ASP 103 H ASP 103 1.688 -15.772 7.607 819 HA ASP 103 HA ASP 103 2.519 -16.730 9.488 820 HB2 ASP 103 1HB ASP 103 3.097 -18.625 7.900 821 HB3 ASP 103 2HB ASP 103 4.702 -17.930 7.713 822 H ASP 104 H ASP 104 3.758 -14.164 8.163 823 HA ASP 104 HA ASP 104 6.457 -14.094 9.286 824 HB2 ASP 104 1HB ASP 104 5.867 -13.286 6.929 825 HB3 ASP 104 2HB ASP 104 5.039 -11.925 7.679 826 H THR 105 H THR 105 5.433 -14.270 11.472 827 HA THR 105 HA THR 105 4.060 -12.006 12.580 828 HB THR 105 HB THR 105 4.193 -13.255 14.727 829 HG1 THR 105 HG1 THR 105 5.159 -15.370 14.654 830 HG21 THR 105 3HG2 THR 105 3.344 -15.008 12.386 831 HG22 THR 105 1HG2 THR 105 2.343 -13.781 13.171 832 HG23 THR 105 2HG2 THR 105 2.844 -15.217 14.065 833 H CYS 106 H CYS 106 7.207 -13.540 13.266 834 HA CYS 106 HA CYS 106 8.738 -11.169 13.175 835 HG CYS 106 HG CYS 106 10.628 -11.509 16.638 836 HB2 CYS 106 1HB CYS 106 7.677 -10.672 15.370 837 HB3 CYS 106 2HB CYS 106 8.224 -12.222 15.994 838 H ASP 107 H ASP 107 8.534 -14.291 14.913 839 HA ASP 107 HA ASP 107 10.632 -15.488 13.402 840 HB2 ASP 107 1HB ASP 107 12.272 -15.865 15.235 841 HB3 ASP 107 2HB ASP 107 12.106 -14.164 14.839 842 H LYS 108 H LYS 108 9.085 -17.055 13.030 843 HA LYS 108 HA LYS 108 8.433 -18.878 15.277 844 HB2 LYS 108 1HB LYS 108 7.338 -18.814 12.426 845 HB3 LYS 108 2HB LYS 108 6.829 -19.936 13.687 846 HG2 LYS 108 1HG LYS 108 6.033 -17.986 15.039 847 HG3 LYS 108 2HG LYS 108 6.458 -16.924 13.700 848 HD2 LYS 108 1HD LYS 108 4.070 -17.347 13.637 849 HD3 LYS 108 2HD LYS 108 4.824 -18.139 12.252 850 HE2 LYS 108 1HE LYS 108 4.722 -20.306 13.434 851 HE3 LYS 108 2HE LYS 108 3.984 -19.516 14.828 852 HZ1 LYS 108 3HZ LYS 108 2.792 -19.561 12.109 853 HZ2 LYS 108 1HZ LYS 108 2.072 -18.978 13.525 854 HZ3 LYS 108 2HZ LYS 108 2.379 -20.630 13.347 855 H LYS 109 H LYS 109 11.069 -18.487 13.969 856 HA LYS 109 HA LYS 109 11.927 -21.134 13.437 857 HB2 LYS 109 1HB LYS 109 12.473 -20.799 10.989 858 HB3 LYS 109 2HB LYS 109 10.756 -20.936 11.337 859 HG2 LYS 109 1HG LYS 109 10.906 -18.252 11.376 860 HG3 LYS 109 2HG LYS 109 12.322 -18.552 10.371 861 HD2 LYS 109 1HD LYS 109 10.438 -18.183 8.916 862 HD3 LYS 109 2HD LYS 109 10.868 -19.891 8.821 863 HE2 LYS 109 1HE LYS 109 9.028 -20.462 10.327 864 HE3 LYS 109 2HE LYS 109 8.632 -18.755 10.528 865 HZ1 LYS 109 3HZ LYS 109 8.448 -20.313 8.010 866 HZ2 LYS 109 1HZ LYS 109 8.125 -18.657 8.159 867 HZ3 LYS 109 2HZ LYS 109 7.158 -19.784 8.965 868 H ASN 110 H ASN 110 13.316 -20.328 15.059 869 HA ASN 110 HA ASN 110 15.138 -18.115 14.548 870 HB2 ASN 110 1HB ASN 110 14.796 -19.971 16.946 871 HB3 ASN 110 2HB ASN 110 15.995 -18.681 16.878 872 HD21 ASN 110 2HD2 ASN 110 15.307 -16.542 17.056 873 HD22 ASN 110 1HD2 ASN 110 13.714 -16.115 17.560 Start of MODEL 5 1 HA MET 1 HA MET 1 -6.985 15.333 -6.037 2 H1 MET 1 1H MET 1 -4.217 16.277 -6.506 3 H2 MET 1 2H MET 1 -4.846 15.725 -5.039 4 H3 MET 1 3H MET 1 -5.431 17.159 -5.725 5 HB2 MET 1 1HB MET 1 -6.763 17.211 -7.702 6 HB3 MET 1 2HB MET 1 -5.645 16.232 -8.636 7 HG2 MET 1 1HG MET 1 -7.491 14.571 -8.973 8 HG3 MET 1 2HG MET 1 -8.582 15.693 -8.159 9 HE1 MET 1 3HE MET 1 -8.441 18.792 -10.669 10 HE2 MET 1 1HE MET 1 -7.317 18.541 -9.329 11 HE3 MET 1 2HE MET 1 -9.040 18.225 -9.111 12 H LEU 2 H LEU 2 -6.119 13.350 -5.173 13 HA LEU 2 HA LEU 2 -4.108 11.868 -6.690 14 HG LEU 2 HG LEU 2 -6.170 9.978 -4.187 15 HB2 LEU 2 1HB LEU 2 -3.752 10.530 -4.821 16 HB3 LEU 2 2HB LEU 2 -4.019 12.135 -4.178 17 HD11 LEU 2 1HD1 LEU 2 -5.621 9.605 -1.814 18 HD12 LEU 2 2HD1 LEU 2 -4.235 10.687 -1.964 19 HD13 LEU 2 3HD1 LEU 2 -4.282 9.178 -2.876 20 HD21 LEU 2 3HD2 LEU 2 -7.045 12.270 -3.975 21 HD22 LEU 2 1HD2 LEU 2 -5.978 12.558 -2.598 22 HD23 LEU 2 2HD2 LEU 2 -7.267 11.358 -2.485 23 H GLU 3 H GLU 3 -7.203 12.080 -7.220 24 HA GLU 3 HA GLU 3 -8.447 9.625 -6.935 25 HB2 GLU 3 1HB GLU 3 -9.151 11.077 -9.471 26 HB3 GLU 3 2HB GLU 3 -10.203 10.479 -8.200 27 HG2 GLU 3 1HG GLU 3 -8.554 13.009 -8.117 28 HG3 GLU 3 2HG GLU 3 -10.290 12.917 -8.415 29 H ASP 4 H ASP 4 -6.451 10.840 -9.561 30 HA ASP 4 HA ASP 4 -6.720 8.709 -11.431 31 HB2 ASP 4 1HB ASP 4 -4.560 10.849 -11.145 32 HB3 ASP 4 2HB ASP 4 -4.763 9.815 -12.558 33 H TYR 5 H TYR 5 -4.902 8.946 -8.555 34 HA TYR 5 HA TYR 5 -2.826 7.016 -9.317 35 HD1 TYR 5 HD1 TYR 5 -3.657 10.427 -8.392 36 HD2 TYR 5 HD2 TYR 5 0.033 8.450 -7.522 37 HE1 TYR 5 HE1 TYR 5 -2.427 12.394 -9.163 38 HE2 TYR 5 HE2 TYR 5 1.266 10.437 -8.296 39 HH TYR 5 HH TYR 5 0.864 12.408 -9.805 40 HB2 TYR 5 1HB TYR 5 -3.391 8.380 -6.643 41 HB3 TYR 5 2HB TYR 5 -2.005 7.345 -6.974 42 H ALA 6 H ALA 6 -5.982 6.613 -8.715 43 HA ALA 6 HA ALA 6 -5.994 4.422 -6.830 44 HB1 ALA 6 3HB ALA 6 -7.980 5.878 -7.124 45 HB2 ALA 6 1HB ALA 6 -8.362 4.175 -7.398 46 HB3 ALA 6 2HB ALA 6 -8.178 5.277 -8.769 47 H ILE 7 H ILE 7 -4.720 2.786 -7.508 48 HA ILE 7 HA ILE 7 -5.127 1.568 -10.157 49 HB ILE 7 HB ILE 7 -3.131 0.680 -8.022 50 HG12 ILE 7 1HG1 ILE 7 -2.728 2.745 -10.249 51 HG13 ILE 7 2HG1 ILE 7 -2.657 3.052 -8.519 52 HG21 ILE 7 1HG2 ILE 7 -1.944 -0.365 -9.931 53 HG22 ILE 7 2HG2 ILE 7 -3.182 0.226 -11.041 54 HG23 ILE 7 3HG2 ILE 7 -3.596 -0.971 -9.812 55 HD11 ILE 7 3HD1 ILE 7 -0.448 3.030 -9.395 56 HD12 ILE 7 1HD1 ILE 7 -0.702 1.468 -10.174 57 HD13 ILE 7 2HD1 ILE 7 -0.652 1.581 -8.415 58 H SER 8 H SER 8 -6.297 -0.270 -10.388 59 HA SER 8 HA SER 8 -7.596 -1.484 -8.055 60 HG SER 8 HG SER 8 -8.773 0.018 -9.503 61 HB2 SER 8 1HB SER 8 -7.978 -2.014 -11.032 62 HB3 SER 8 2HB SER 8 -8.986 -2.650 -9.732 63 H LEU 9 H LEU 9 -7.468 -3.727 -7.580 64 HA LEU 9 HA LEU 9 -4.998 -5.021 -7.735 65 HG LEU 9 HG LEU 9 -6.407 -8.091 -7.704 66 HB2 LEU 9 1HB LEU 9 -6.621 -5.567 -6.015 67 HB3 LEU 9 2HB LEU 9 -7.783 -6.119 -7.206 68 HD11 LEU 9 1HD1 LEU 9 -4.436 -6.998 -5.680 69 HD12 LEU 9 2HD1 LEU 9 -4.177 -7.187 -7.416 70 HD13 LEU 9 3HD1 LEU 9 -4.371 -8.610 -6.398 71 HD21 LEU 9 3HD2 LEU 9 -6.835 -7.743 -4.712 72 HD22 LEU 9 1HD2 LEU 9 -6.614 -9.283 -5.551 73 HD23 LEU 9 2HD2 LEU 9 -8.036 -8.298 -5.882 74 H GLU 10 H GLU 10 -7.732 -5.166 -9.885 75 HA GLU 10 HA GLU 10 -6.920 -7.475 -11.392 76 HB2 GLU 10 1HB GLU 10 -8.879 -6.876 -12.817 77 HB3 GLU 10 2HB GLU 10 -9.272 -7.014 -11.108 78 HG2 GLU 10 1HG GLU 10 -9.186 -4.527 -10.914 79 HG3 GLU 10 2HG GLU 10 -8.891 -4.428 -12.650 80 H GLU 11 H GLU 11 -5.392 -4.599 -11.368 81 HA GLU 11 HA GLU 11 -4.416 -4.905 -14.110 82 HB2 GLU 11 1HB GLU 11 -4.697 -2.481 -14.622 83 HB3 GLU 11 2HB GLU 11 -6.234 -3.310 -14.415 84 HG2 GLU 11 1HG GLU 11 -6.298 -2.413 -12.046 85 HG3 GLU 11 2HG GLU 11 -4.886 -1.443 -12.442 86 H VAL 12 H VAL 12 -3.628 -4.714 -10.977 87 HA VAL 12 HA VAL 12 -1.451 -2.768 -11.088 88 HB VAL 12 HB VAL 12 -2.898 -3.061 -9.037 89 HG11 VAL 12 1HG1 VAL 12 -3.120 -5.498 -9.013 90 HG12 VAL 12 2HG1 VAL 12 -2.483 -4.913 -7.478 91 HG13 VAL 12 3HG1 VAL 12 -1.401 -5.676 -8.645 92 HG21 VAL 12 3HG2 VAL 12 -1.072 -2.848 -7.371 93 HG22 VAL 12 1HG2 VAL 12 -0.749 -1.910 -8.831 94 HG23 VAL 12 2HG2 VAL 12 0.084 -3.442 -8.566 95 H ASN 13 H ASN 13 0.758 -3.301 -10.636 96 HA ASN 13 HA ASN 13 1.632 -6.128 -10.673 97 HB2 ASN 13 1HB ASN 13 2.820 -3.813 -12.280 98 HB3 ASN 13 2HB ASN 13 3.671 -5.323 -12.008 99 HD21 ASN 13 2HD2 ASN 13 0.916 -3.832 -13.593 100 HD22 ASN 13 1HD2 ASN 13 0.664 -5.087 -14.751 101 H PHE 14 H PHE 14 2.118 -6.178 -8.470 102 HA PHE 14 HA PHE 14 2.992 -3.940 -6.960 103 HD1 PHE 14 HD1 PHE 14 1.457 -3.838 -5.039 104 HD2 PHE 14 HD2 PHE 14 1.092 -7.908 -6.286 105 HE1 PHE 14 HE1 PHE 14 -0.933 -3.804 -4.480 106 HE2 PHE 14 HE2 PHE 14 -1.301 -7.861 -5.722 107 HZ PHE 14 HZ PHE 14 -2.318 -5.809 -4.821 108 HB2 PHE 14 1HB PHE 14 3.226 -6.907 -6.298 109 HB3 PHE 14 2HB PHE 14 3.487 -5.600 -5.145 110 H ASN 15 H ASN 15 4.748 -6.367 -8.738 111 HA ASN 15 HA ASN 15 7.375 -5.910 -7.768 112 HB2 ASN 15 1HB ASN 15 8.119 -7.101 -9.812 113 HB3 ASN 15 2HB ASN 15 6.789 -7.940 -9.027 114 HD21 ASN 15 2HD2 ASN 15 7.779 -6.141 -11.844 115 HD22 ASN 15 1HD2 ASN 15 6.375 -6.470 -12.796 116 H ASP 16 H ASP 16 5.376 -4.080 -9.912 117 HA ASP 16 HA ASP 16 7.466 -2.624 -11.272 118 HB2 ASP 16 1HB ASP 16 5.215 -3.036 -12.312 119 HB3 ASP 16 2HB ASP 16 4.484 -2.019 -11.087 120 H PHE 17 H PHE 17 5.768 -2.257 -8.229 121 HA PHE 17 HA PHE 17 6.822 0.520 -7.934 122 HD1 PHE 17 HD1 PHE 17 4.307 2.240 -8.857 123 HD2 PHE 17 HD2 PHE 17 3.105 -1.747 -7.936 124 HE1 PHE 17 HE1 PHE 17 2.736 2.269 -10.750 125 HE2 PHE 17 HE2 PHE 17 1.541 -1.713 -9.825 126 HZ PHE 17 HZ PHE 17 1.373 0.271 -11.247 127 HB2 PHE 17 1HB PHE 17 4.422 -0.443 -6.343 128 HB3 PHE 17 2HB PHE 17 4.916 1.197 -6.698 129 H ILE 18 H ILE 18 7.646 1.069 -5.874 130 HA ILE 18 HA ILE 18 8.337 -1.026 -3.989 131 HB ILE 18 HB ILE 18 8.585 2.009 -3.696 132 HG12 ILE 18 1HG1 ILE 18 10.692 -0.014 -4.627 133 HG13 ILE 18 2HG1 ILE 18 9.881 1.155 -5.659 134 HG21 ILE 18 1HG2 ILE 18 10.213 1.503 -1.904 135 HG22 ILE 18 2HG2 ILE 18 9.931 -0.225 -2.121 136 HG23 ILE 18 3HG2 ILE 18 8.630 0.814 -1.533 137 HD11 ILE 18 3HD1 ILE 18 10.952 2.972 -4.407 138 HD12 ILE 18 1HD1 ILE 18 12.115 1.869 -5.140 139 HD13 ILE 18 2HD1 ILE 18 11.785 1.775 -3.412 140 H VAL 19 H VAL 19 6.649 -1.866 -2.858 141 HA VAL 19 HA VAL 19 4.186 -0.285 -2.601 142 HB VAL 19 HB VAL 19 4.661 -3.239 -1.965 143 HG11 VAL 19 1HG1 VAL 19 2.620 -2.356 -0.912 144 HG12 VAL 19 2HG1 VAL 19 2.227 -3.507 -2.191 145 HG13 VAL 19 3HG1 VAL 19 2.049 -1.772 -2.479 146 HG21 VAL 19 3HG2 VAL 19 3.703 -3.743 -4.190 147 HG22 VAL 19 1HG2 VAL 19 5.192 -2.805 -4.325 148 HG23 VAL 19 2HG2 VAL 19 3.631 -2.016 -4.555 149 H VAL 20 H VAL 20 3.205 0.160 -0.644 150 HA VAL 20 HA VAL 20 4.566 -0.528 1.886 151 HB VAL 20 HB VAL 20 3.010 2.025 1.214 152 HG11 VAL 20 1HG1 VAL 20 4.198 1.201 3.892 153 HG12 VAL 20 2HG1 VAL 20 2.482 1.333 3.512 154 HG13 VAL 20 3HG1 VAL 20 3.490 2.778 3.524 155 HG21 VAL 20 3HG2 VAL 20 5.124 3.201 1.662 156 HG22 VAL 20 1HG2 VAL 20 5.329 2.019 0.369 157 HG23 VAL 20 2HG2 VAL 20 5.930 1.663 1.991 158 H ASP 21 H ASP 21 3.312 -1.717 3.237 159 HA ASP 21 HA ASP 21 0.446 -2.049 2.755 160 HB2 ASP 21 1HB ASP 21 2.254 -3.884 3.545 161 HB3 ASP 21 2HB ASP 21 1.893 -3.258 5.149 162 H VAL 22 H VAL 22 -0.744 -0.292 3.488 163 HA VAL 22 HA VAL 22 0.123 1.144 5.928 164 HB VAL 22 HB VAL 22 -1.617 2.898 5.222 165 HG11 VAL 22 1HG1 VAL 22 0.797 3.225 4.854 166 HG12 VAL 22 2HG1 VAL 22 -0.133 3.926 3.531 167 HG13 VAL 22 3HG1 VAL 22 0.695 2.383 3.305 168 HG21 VAL 22 3HG2 VAL 22 -2.983 1.506 3.693 169 HG22 VAL 22 1HG2 VAL 22 -1.602 1.315 2.604 170 HG23 VAL 22 2HG2 VAL 22 -2.335 2.906 2.833 171 H ARG 23 H ARG 23 -0.574 -0.522 7.359 172 HA ARG 23 HA ARG 23 -3.300 -0.126 8.271 173 HE ARG 23 HE ARG 23 -2.869 -3.646 5.005 174 HB2 ARG 23 1HB ARG 23 -2.372 -2.833 7.271 175 HB3 ARG 23 2HB ARG 23 -3.644 -2.698 8.476 176 HG2 ARG 23 1HG ARG 23 -5.056 -1.467 6.899 177 HG3 ARG 23 2HG ARG 23 -3.761 -1.479 5.699 178 HD2 ARG 23 1HD ARG 23 -5.117 -3.949 6.811 179 HD3 ARG 23 2HD ARG 23 -5.518 -3.180 5.271 180 HH11 ARG 23 1HH1 ARG 23 -5.422 -5.815 6.080 181 HH12 ARG 23 2HH1 ARG 23 -4.655 -7.223 5.421 182 HH21 ARG 23 1HH2 ARG 23 -1.878 -5.503 4.191 183 HH22 ARG 23 2HH2 ARG 23 -2.631 -7.054 4.402 184 H GLU 24 H GLU 24 -1.040 -2.881 9.097 185 HA GLU 24 HA GLU 24 -0.241 -1.784 11.616 186 HB2 GLU 24 1HB GLU 24 -2.838 -2.150 11.814 187 HB3 GLU 24 2HB GLU 24 -2.438 -3.851 11.940 188 HG2 GLU 24 1HG GLU 24 -1.110 -3.423 13.955 189 HG3 GLU 24 2HG GLU 24 -1.424 -1.694 13.809 190 H LEU 25 H LEU 25 0.918 -3.304 12.998 191 HA LEU 25 HA LEU 25 2.437 -5.317 11.829 192 HG LEU 25 HG LEU 25 2.535 -7.270 14.405 193 HB2 LEU 25 1HB LEU 25 3.101 -4.310 13.943 194 HB3 LEU 25 2HB LEU 25 1.658 -4.914 14.736 195 HD11 LEU 25 1HD1 LEU 25 4.899 -7.628 13.897 196 HD12 LEU 25 2HD1 LEU 25 5.112 -5.907 13.570 197 HD13 LEU 25 3HD1 LEU 25 4.066 -6.884 12.535 198 HD21 LEU 25 3HD2 LEU 25 4.135 -7.183 16.263 199 HD22 LEU 25 1HD2 LEU 25 2.758 -6.127 16.569 200 HD23 LEU 25 2HD2 LEU 25 4.302 -5.439 16.061 201 H ASP 26 H ASP 26 -0.656 -5.539 13.484 202 HA ASP 26 HA ASP 26 -0.979 -8.248 13.911 203 HB2 ASP 26 1HB ASP 26 -2.469 -6.536 14.809 204 HB3 ASP 26 2HB ASP 26 -3.020 -6.114 13.194 205 H GLU 27 H GLU 27 -2.030 -6.390 11.017 206 HA GLU 27 HA GLU 27 -3.035 -8.671 9.644 207 HB2 GLU 27 1HB GLU 27 -3.176 -7.171 7.652 208 HB3 GLU 27 2HB GLU 27 -3.976 -6.558 9.083 209 HG2 GLU 27 1HG GLU 27 -2.992 -4.694 8.143 210 HG3 GLU 27 2HG GLU 27 -1.918 -5.126 9.464 211 H TYR 28 H TYR 28 0.099 -7.001 9.610 212 HA TYR 28 HA TYR 28 1.424 -8.405 7.597 213 HD1 TYR 28 HD2 TYR 28 4.360 -7.283 7.125 214 HD2 TYR 28 HD1 TYR 28 3.976 -8.891 11.066 215 HE1 TYR 28 HE2 TYR 28 6.648 -8.167 6.999 216 HE2 TYR 28 HE1 TYR 28 6.254 -9.767 10.935 217 HH TYR 28 HH TYR 28 7.851 -10.462 9.117 218 HB2 TYR 28 1HB TYR 28 2.519 -6.546 8.619 219 HB3 TYR 28 2HB TYR 28 2.357 -7.215 10.231 220 H GLU 29 H GLU 29 0.766 -9.385 10.944 221 HA GLU 29 HA GLU 29 2.382 -11.683 11.099 222 HB2 GLU 29 1HB GLU 29 -0.263 -11.245 12.555 223 HB3 GLU 29 2HB GLU 29 0.993 -12.372 13.022 224 HG2 GLU 29 1HG GLU 29 1.369 -9.376 12.990 225 HG3 GLU 29 2HG GLU 29 0.842 -10.279 14.402 226 H GLU 30 H GLU 30 -1.055 -11.307 10.145 227 HA GLU 30 HA GLU 30 -1.368 -14.131 9.602 228 HB2 GLU 30 1HB GLU 30 -3.597 -13.434 8.566 229 HB3 GLU 30 2HB GLU 30 -3.365 -13.107 10.275 230 HG2 GLU 30 1HG GLU 30 -2.905 -10.749 9.772 231 HG3 GLU 30 2HG GLU 30 -3.122 -11.066 8.054 232 H LEU 31 H LEU 31 -1.038 -11.295 7.362 233 HA LEU 31 HA LEU 31 0.534 -12.800 5.511 234 HG LEU 31 HG LEU 31 -2.376 -10.845 4.057 235 HB2 LEU 31 1HB LEU 31 -0.872 -12.878 3.557 236 HB3 LEU 31 2HB LEU 31 -1.704 -13.710 4.855 237 HD11 LEU 31 1HD1 LEU 31 -2.749 -12.286 2.106 238 HD12 LEU 31 2HD1 LEU 31 -4.273 -11.715 2.777 239 HD13 LEU 31 3HD1 LEU 31 -3.743 -13.370 3.084 240 HD21 LEU 31 3HD2 LEU 31 -4.491 -11.251 5.212 241 HD22 LEU 31 1HD2 LEU 31 -3.128 -11.494 6.299 242 HD23 LEU 31 2HD2 LEU 31 -3.976 -12.889 5.627 243 H HIS 32 H HIS 32 1.417 -11.483 3.806 244 HA HIS 32 HA HIS 32 0.543 -8.811 3.281 245 HD1 HIS 32 HD1 HIS 32 3.457 -11.023 5.299 246 HD2 HIS 32 HD2 HIS 32 5.025 -7.344 4.138 247 HE1 HIS 32 HE1 HIS 32 5.943 -11.323 5.228 248 HE2 HIS 32 HE2 HIS 32 6.836 -9.169 4.313 249 HB2 HIS 32 1HB HIS 32 2.325 -7.509 4.215 250 HB3 HIS 32 2HB HIS 32 1.845 -8.591 5.521 251 H LEU 33 H LEU 33 1.770 -7.841 1.543 252 HA LEU 33 HA LEU 33 2.951 -9.607 -0.354 253 HG LEU 33 HG LEU 33 0.746 -7.944 -0.867 254 HB2 LEU 33 1HB LEU 33 2.827 -6.589 -0.129 255 HB3 LEU 33 2HB LEU 33 3.651 -7.362 -1.468 256 HD11 LEU 33 1HD1 LEU 33 0.139 -6.231 -2.546 257 HD12 LEU 33 2HD1 LEU 33 1.824 -5.707 -2.613 258 HD13 LEU 33 3HD1 LEU 33 0.898 -5.528 -1.120 259 HD21 LEU 33 3HD2 LEU 33 0.667 -8.583 -3.243 260 HD22 LEU 33 1HD2 LEU 33 1.881 -9.520 -2.377 261 HD23 LEU 33 2HD2 LEU 33 2.378 -8.187 -3.421 262 HA PRO 34 HA PRO 34 7.233 -9.467 1.145 263 HB2 PRO 34 1HB PRO 34 8.519 -10.351 -1.102 264 HB3 PRO 34 2HB PRO 34 7.568 -11.435 -0.079 265 HG2 PRO 34 1HG PRO 34 6.767 -10.081 -2.644 266 HG3 PRO 34 2HG PRO 34 6.527 -11.769 -2.141 267 HD2 PRO 34 1HD PRO 34 4.554 -9.890 -1.973 268 HD3 PRO 34 2HD PRO 34 4.663 -11.237 -0.819 269 H ASN 35 H ASN 35 5.918 -7.683 -1.486 270 HA ASN 35 HA ASN 35 8.200 -5.904 -1.905 271 HB2 ASN 35 1HB ASN 35 5.420 -5.876 -3.172 272 HB3 ASN 35 2HB ASN 35 6.800 -4.915 -3.692 273 HD21 ASN 35 2HD2 ASN 35 5.333 -8.082 -3.717 274 HD22 ASN 35 1HD2 ASN 35 6.397 -8.791 -4.875 275 H ALA 36 H ALA 36 5.615 -6.110 0.265 276 HA ALA 36 HA ALA 36 4.971 -3.248 0.345 277 HB1 ALA 36 3HB ALA 36 3.712 -5.544 1.872 278 HB2 ALA 36 1HB ALA 36 3.097 -4.826 0.383 279 HB3 ALA 36 2HB ALA 36 3.147 -3.869 1.864 280 H THR 37 H THR 37 5.688 -1.903 1.846 281 HA THR 37 HA THR 37 7.438 -2.784 4.005 282 HB THR 37 HB THR 37 6.670 0.035 3.104 283 HG1 THR 37 HG1 THR 37 7.792 -1.213 1.509 284 HG21 THR 37 3HG2 THR 37 7.535 0.001 5.427 285 HG22 THR 37 1HG2 THR 37 8.702 0.750 4.334 286 HG23 THR 37 2HG2 THR 37 8.954 -0.903 4.893 287 H LEU 38 H LEU 38 6.687 -3.053 6.026 288 HA LEU 38 HA LEU 38 3.954 -2.659 6.716 289 HG LEU 38 HG LEU 38 4.520 -2.627 9.902 290 HB2 LEU 38 1HB LEU 38 5.232 -4.527 7.626 291 HB3 LEU 38 2HB LEU 38 6.356 -3.427 8.412 292 HD11 LEU 38 1HD1 LEU 38 2.601 -2.995 8.445 293 HD12 LEU 38 2HD1 LEU 38 2.370 -3.821 9.982 294 HD13 LEU 38 3HD1 LEU 38 2.823 -4.744 8.550 295 HD21 LEU 38 3HD2 LEU 38 4.362 -4.628 11.316 296 HD22 LEU 38 1HD2 LEU 38 5.992 -4.447 10.671 297 HD23 LEU 38 2HD2 LEU 38 4.896 -5.643 9.975 298 H ILE 39 H ILE 39 3.328 -0.568 6.727 299 HA ILE 39 HA ILE 39 4.329 1.175 8.910 300 HB ILE 39 HB ILE 39 3.391 2.116 6.144 301 HG12 ILE 39 1HG1 ILE 39 6.152 2.325 7.438 302 HG13 ILE 39 2HG1 ILE 39 5.717 1.248 6.124 303 HG21 ILE 39 1HG2 ILE 39 2.612 3.686 7.872 304 HG22 ILE 39 2HG2 ILE 39 3.883 4.425 6.904 305 HG23 ILE 39 3HG2 ILE 39 4.249 3.823 8.520 306 HD11 ILE 39 3HD1 ILE 39 5.334 3.219 4.677 307 HD12 ILE 39 1HD1 ILE 39 6.981 3.128 5.300 308 HD13 ILE 39 2HD1 ILE 39 5.835 4.263 6.009 309 H SER 40 H SER 40 2.662 2.059 10.161 310 HA SER 40 HA SER 40 -0.034 1.074 9.725 311 HG SER 40 HG SER 40 1.954 1.496 12.626 312 HB2 SER 40 1HB SER 40 0.865 3.086 11.821 313 HB3 SER 40 2HB SER 40 -0.593 2.092 11.842 314 H VAL 41 H VAL 41 -1.705 2.220 8.800 315 HA VAL 41 HA VAL 41 -1.517 4.472 7.247 316 HB VAL 41 HB VAL 41 -3.464 3.024 7.132 317 HG11 VAL 41 1HG1 VAL 41 -3.667 2.412 9.497 318 HG12 VAL 41 2HG1 VAL 41 -5.218 2.962 8.866 319 HG13 VAL 41 3HG1 VAL 41 -4.255 4.031 9.888 320 HG21 VAL 41 3HG2 VAL 41 -5.295 4.673 6.954 321 HG22 VAL 41 1HG2 VAL 41 -3.792 5.361 6.347 322 HG23 VAL 41 2HG2 VAL 41 -4.388 5.819 7.939 323 H ASN 42 H ASN 42 -2.051 4.380 10.753 324 HA ASN 42 HA ASN 42 -2.702 7.165 11.039 325 HB2 ASN 42 1HB ASN 42 -2.564 6.714 13.494 326 HB3 ASN 42 2HB ASN 42 -3.615 5.594 12.641 327 HD21 ASN 42 2HD2 ASN 42 -3.508 3.935 14.102 328 HD22 ASN 42 1HD2 ASN 42 -2.066 3.041 14.446 329 H ASP 43 H ASP 43 0.292 5.405 10.893 330 HA ASP 43 HA ASP 43 1.922 7.434 12.184 331 HB2 ASP 43 1HB ASP 43 2.594 4.861 10.712 332 HB3 ASP 43 2HB ASP 43 3.860 6.009 11.125 333 H GLN 44 H GLN 44 1.132 9.216 10.929 334 HA GLN 44 HA GLN 44 1.708 9.612 8.193 335 HB2 GLN 44 1HB GLN 44 1.124 11.439 10.525 336 HB3 GLN 44 2HB GLN 44 1.801 12.168 9.078 337 HG2 GLN 44 1HG GLN 44 -0.668 12.329 9.180 338 HG3 GLN 44 2HG GLN 44 -0.099 11.480 7.744 339 HE21 GLN 44 2HE2 GLN 44 -0.704 9.387 7.416 340 HE22 GLN 44 1HE2 GLN 44 -1.822 8.554 8.428 341 H GLU 45 H GLU 45 3.620 10.087 11.126 342 HA GLU 45 HA GLU 45 5.823 11.450 10.043 343 HB2 GLU 45 1HB GLU 45 7.037 10.741 12.091 344 HB3 GLU 45 2HB GLU 45 5.437 11.388 12.441 345 HG2 GLU 45 1HG GLU 45 4.573 9.067 12.687 346 HG3 GLU 45 2HG GLU 45 6.199 8.450 12.400 347 H LYS 46 H LYS 46 5.223 7.959 10.357 348 HA LYS 46 HA LYS 46 7.852 7.168 9.447 349 HB2 LYS 46 1HB LYS 46 6.694 5.747 11.045 350 HB3 LYS 46 2HB LYS 46 5.295 5.610 9.996 351 HG2 LYS 46 1HG LYS 46 6.403 3.523 9.903 352 HG3 LYS 46 2HG LYS 46 6.743 4.308 8.371 353 HD2 LYS 46 1HD LYS 46 8.724 4.377 10.672 354 HD3 LYS 46 2HD LYS 46 8.653 3.013 9.564 355 HE2 LYS 46 1HE LYS 46 9.140 4.543 7.674 356 HE3 LYS 46 2HE LYS 46 9.252 5.892 8.801 357 HZ1 LYS 46 3HZ LYS 46 11.050 3.540 8.602 358 HZ2 LYS 46 1HZ LYS 46 11.082 4.610 9.914 359 HZ3 LYS 46 2HZ LYS 46 11.433 5.167 8.355 360 H LEU 47 H LEU 47 4.616 7.392 8.048 361 HA LEU 47 HA LEU 47 5.180 6.059 5.602 362 HG LEU 47 HG LEU 47 3.040 7.636 3.827 363 HB2 LEU 47 1HB LEU 47 2.920 6.356 6.584 364 HB3 LEU 47 2HB LEU 47 3.011 8.074 6.265 365 HD11 LEU 47 1HD1 LEU 47 2.754 4.700 4.562 366 HD12 LEU 47 2HD1 LEU 47 4.148 5.450 3.783 367 HD13 LEU 47 3HD1 LEU 47 2.607 5.375 2.937 368 HD21 LEU 47 3HD2 LEU 47 0.742 6.271 5.264 369 HD22 LEU 47 1HD2 LEU 47 0.712 6.903 3.618 370 HD23 LEU 47 2HD2 LEU 47 0.900 8.006 4.974 371 H ALA 48 H ALA 48 5.050 9.466 6.532 372 HA ALA 48 HA ALA 48 5.731 10.531 3.963 373 HB1 ALA 48 3HB ALA 48 5.788 11.842 6.694 374 HB2 ALA 48 1HB ALA 48 4.407 11.788 5.597 375 HB3 ALA 48 2HB ALA 48 5.863 12.677 5.139 376 H ASP 49 H ASP 49 7.570 9.533 6.820 377 HA ASP 49 HA ASP 49 10.128 10.537 6.128 378 HB2 ASP 49 1HB ASP 49 9.822 9.627 8.352 379 HB3 ASP 49 2HB ASP 49 9.279 8.078 7.718 380 H PHE 50 H PHE 50 8.517 7.466 5.409 381 HA PHE 50 HA PHE 50 10.488 6.143 3.954 382 HD1 PHE 50 HD1 PHE 50 9.762 3.188 4.085 383 HD2 PHE 50 HD2 PHE 50 7.530 5.380 1.166 384 HE1 PHE 50 HE1 PHE 50 10.090 1.382 2.455 385 HE2 PHE 50 HE2 PHE 50 7.869 3.559 -0.450 386 HZ PHE 50 HZ PHE 50 9.150 1.562 0.199 387 HB2 PHE 50 1HB PHE 50 8.368 5.100 4.757 388 HB3 PHE 50 2HB PHE 50 7.461 6.020 3.564 389 H LEU 51 H LEU 51 7.924 8.316 2.842 390 HA LEU 51 HA LEU 51 8.620 8.262 0.085 391 HG LEU 51 HG LEU 51 5.926 8.074 1.729 392 HB2 LEU 51 1HB LEU 51 7.012 10.305 1.654 393 HB3 LEU 51 2HB LEU 51 7.090 10.213 -0.101 394 HD11 LEU 51 1HD1 LEU 51 4.504 10.055 1.605 395 HD12 LEU 51 2HD1 LEU 51 3.759 8.687 0.784 396 HD13 LEU 51 3HD1 LEU 51 4.514 9.974 -0.159 397 HD21 LEU 51 3HD2 LEU 51 5.171 6.947 -0.323 398 HD22 LEU 51 1HD2 LEU 51 6.929 7.043 -0.256 399 HD23 LEU 51 2HD2 LEU 51 6.026 8.138 -1.306 400 H SER 52 H SER 52 9.599 10.297 2.798 401 HA SER 52 HA SER 52 10.907 12.331 1.266 402 HG SER 52 HG SER 52 11.590 14.174 3.789 403 HB2 SER 52 1HB SER 52 10.053 12.783 3.526 404 HB3 SER 52 2HB SER 52 11.175 11.606 4.209 405 H GLN 53 H GLN 53 11.849 9.131 2.157 406 HA GLN 53 HA GLN 53 14.619 9.278 2.470 407 HB2 GLN 53 1HB GLN 53 12.936 7.076 1.207 408 HB3 GLN 53 2HB GLN 53 14.639 6.880 1.595 409 HG2 GLN 53 1HG GLN 53 12.437 7.448 3.600 410 HG3 GLN 53 2HG GLN 53 13.161 5.875 3.290 411 HE21 GLN 53 2HE2 GLN 53 13.030 7.422 5.782 412 HE22 GLN 53 1HE2 GLN 53 14.664 7.616 6.303 413 H HIS 54 H HIS 54 12.732 9.468 -0.487 414 HA HIS 54 HA HIS 54 15.051 10.401 -1.983 415 HD1 HIS 54 HD1 HIS 54 16.366 9.203 -4.797 416 HD2 HIS 54 HD2 HIS 54 16.265 6.794 -1.414 417 HE1 HIS 54 HE1 HIS 54 18.669 8.235 -4.598 418 HE2 HIS 54 HE2 HIS 54 18.635 6.946 -2.437 419 HB2 HIS 54 1HB HIS 54 13.816 7.735 -2.505 420 HB3 HIS 54 2HB HIS 54 13.976 8.719 -3.950 421 H LYS 55 H LYS 55 11.607 9.826 -1.837 422 HA LYS 55 HA LYS 55 9.757 10.754 -2.638 423 HB2 LYS 55 1HB LYS 55 11.570 13.045 -3.441 424 HB3 LYS 55 2HB LYS 55 9.846 13.051 -3.792 425 HG2 LYS 55 1HG LYS 55 9.424 12.790 -1.313 426 HG3 LYS 55 2HG LYS 55 11.156 13.008 -1.058 427 HD2 LYS 55 1HD LYS 55 9.977 15.124 -0.688 428 HD3 LYS 55 2HD LYS 55 11.027 15.256 -2.100 429 HE2 LYS 55 1HE LYS 55 9.072 14.916 -3.583 430 HE3 LYS 55 2HE LYS 55 8.027 14.776 -2.167 431 HZ1 LYS 55 3HZ LYS 55 8.604 17.047 -1.571 432 HZ2 LYS 55 1HZ LYS 55 7.925 16.980 -3.118 433 HZ3 LYS 55 2HZ LYS 55 9.591 17.180 -2.939 434 H ASP 56 H ASP 56 12.365 11.201 -5.056 435 HA ASP 56 HA ASP 56 10.686 10.360 -7.242 436 HB2 ASP 56 1HB ASP 56 13.687 10.854 -7.110 437 HB3 ASP 56 2HB ASP 56 12.810 10.467 -8.587 438 H LYS 57 H LYS 57 10.122 8.439 -5.908 439 HA LYS 57 HA LYS 57 11.127 6.226 -7.411 440 HB2 LYS 57 1HB LYS 57 11.643 4.697 -5.669 441 HB3 LYS 57 2HB LYS 57 12.512 6.159 -5.248 442 HG2 LYS 57 1HG LYS 57 9.870 5.348 -4.006 443 HG3 LYS 57 2HG LYS 57 11.445 4.927 -3.331 444 HD2 LYS 57 1HD LYS 57 11.969 7.366 -3.118 445 HD3 LYS 57 2HD LYS 57 10.344 7.743 -3.692 446 HE2 LYS 57 1HE LYS 57 10.519 7.854 -1.220 447 HE3 LYS 57 2HE LYS 57 9.361 6.636 -1.751 448 HZ1 LYS 57 3HZ LYS 57 10.762 5.840 0.058 449 HZ2 LYS 57 1HZ LYS 57 12.150 6.078 -0.876 450 HZ3 LYS 57 2HZ LYS 57 11.009 4.923 -1.337 451 H LYS 58 H LYS 58 9.453 4.604 -7.593 452 HA LYS 58 HA LYS 58 6.852 5.932 -7.460 453 HB2 LYS 58 1HB LYS 58 7.868 4.814 -9.556 454 HB3 LYS 58 2HB LYS 58 7.380 3.281 -8.823 455 HG2 LYS 58 1HG LYS 58 5.076 3.829 -8.940 456 HG3 LYS 58 2HG LYS 58 5.400 5.541 -9.207 457 HD2 LYS 58 1HD LYS 58 4.645 4.522 -11.280 458 HD3 LYS 58 2HD LYS 58 6.329 5.019 -11.426 459 HE2 LYS 58 1HE LYS 58 7.063 2.694 -11.105 460 HE3 LYS 58 2HE LYS 58 5.389 2.182 -10.884 461 HZ1 LYS 58 3HZ LYS 58 4.951 2.951 -13.171 462 HZ2 LYS 58 1HZ LYS 58 6.083 1.694 -13.097 463 HZ3 LYS 58 2HZ LYS 58 6.598 3.286 -13.358 464 H VAL 59 H VAL 59 5.859 5.652 -5.513 465 HA VAL 59 HA VAL 59 6.015 3.033 -4.155 466 HB VAL 59 HB VAL 59 5.311 5.767 -3.006 467 HG11 VAL 59 1HG1 VAL 59 5.759 3.128 -1.557 468 HG12 VAL 59 2HG1 VAL 59 4.217 3.964 -1.738 469 HG13 VAL 59 3HG1 VAL 59 5.505 4.698 -0.786 470 HG21 VAL 59 3HG2 VAL 59 7.533 5.658 -1.920 471 HG22 VAL 59 1HG2 VAL 59 7.678 5.614 -3.678 472 HG23 VAL 59 2HG2 VAL 59 7.868 4.131 -2.741 473 H LEU 60 H LEU 60 4.223 1.957 -3.415 474 HA LEU 60 HA LEU 60 1.545 2.866 -4.347 475 HG LEU 60 HG LEU 60 0.240 0.041 -4.041 476 HB2 LEU 60 1HB LEU 60 2.460 1.119 -5.824 477 HB3 LEU 60 2HB LEU 60 2.759 0.079 -4.441 478 HD11 LEU 60 1HD1 LEU 60 0.154 1.333 -6.779 479 HD12 LEU 60 2HD1 LEU 60 -0.386 2.053 -5.262 480 HD13 LEU 60 3HD1 LEU 60 -1.229 0.653 -5.918 481 HD21 LEU 60 3HD2 LEU 60 1.404 -1.847 -5.082 482 HD22 LEU 60 1HD2 LEU 60 1.231 -1.099 -6.672 483 HD23 LEU 60 2HD2 LEU 60 -0.198 -1.633 -5.784 484 H LEU 61 H LEU 61 0.547 3.396 -2.423 485 HA LEU 61 HA LEU 61 0.912 1.850 0.017 486 HG LEU 61 HG LEU 61 1.341 4.042 1.476 487 HB2 LEU 61 1HB LEU 61 -0.771 4.276 -0.714 488 HB3 LEU 61 2HB LEU 61 -0.966 3.472 0.833 489 HD11 LEU 61 1HD1 LEU 61 2.754 5.524 0.104 490 HD12 LEU 61 2HD1 LEU 61 1.591 5.405 -1.220 491 HD13 LEU 61 3HD1 LEU 61 2.471 3.974 -0.684 492 HD21 LEU 61 3HD2 LEU 61 -0.173 6.455 0.429 493 HD22 LEU 61 1HD2 LEU 61 1.092 6.481 1.660 494 HD23 LEU 61 2HD2 LEU 61 -0.432 5.660 1.983 495 H HIS 62 H HIS 62 0.031 -0.223 -0.268 496 HA HIS 62 HA HIS 62 -2.684 -0.494 -1.366 497 HD1 HIS 62 HD1 HIS 62 -2.754 -4.380 0.030 498 HD2 HIS 62 HD2 HIS 62 1.121 -2.923 0.216 499 HE1 HIS 62 HE1 HIS 62 -1.550 -5.883 1.628 500 HE2 HIS 62 HE2 HIS 62 0.727 -4.867 1.858 501 HB2 HIS 62 1HB HIS 62 -2.209 -2.711 -1.837 502 HB3 HIS 62 2HB HIS 62 -0.584 -2.051 -1.902 503 H CYS 63 H CYS 63 -4.395 -1.449 -0.244 504 HA CYS 63 HA CYS 63 -4.057 -2.050 2.632 505 HG CYS 63 HG CYS 63 -5.824 -0.609 4.841 506 HB2 CYS 63 1HB CYS 63 -4.934 0.254 2.531 507 HB3 CYS 63 2HB CYS 63 -6.273 -0.287 1.519 508 H ARG 64 H ARG 64 -5.756 -3.321 3.517 509 HA ARG 64 HA ARG 64 -6.293 -5.688 2.250 510 HE ARG 64 HE ARG 64 -9.011 -4.987 6.439 511 HB2 ARG 64 1HB ARG 64 -6.438 -5.288 4.697 512 HB3 ARG 64 2HB ARG 64 -7.950 -4.425 4.467 513 HG2 ARG 64 1HG ARG 64 -9.004 -6.486 3.630 514 HG3 ARG 64 2HG ARG 64 -7.480 -7.353 3.828 515 HD2 ARG 64 1HD ARG 64 -8.926 -7.851 5.704 516 HD3 ARG 64 2HD ARG 64 -7.568 -6.876 6.260 517 HH11 ARG 64 1HH1 ARG 64 -10.773 -7.957 5.814 518 HH12 ARG 64 2HH1 ARG 64 -12.254 -7.346 6.473 519 HH21 ARG 64 1HH2 ARG 64 -10.956 -4.210 7.307 520 HH22 ARG 64 2HH2 ARG 64 -12.364 -5.226 7.304 521 H ALA 65 H ALA 65 -8.513 -2.902 2.461 522 HA ALA 65 HA ALA 65 -10.113 -4.103 0.255 523 HB1 ALA 65 3HB ALA 65 -11.441 -3.790 2.307 524 HB2 ALA 65 1HB ALA 65 -12.006 -2.727 1.016 525 HB3 ALA 65 2HB ALA 65 -11.024 -2.076 2.330 526 H GLY 66 H GLY 66 -9.030 -0.954 1.605 527 HA2 GLY 66 1HA GLY 66 -7.468 0.124 -0.180 528 HA3 GLY 66 2HA GLY 66 -8.947 0.199 -1.120 529 H ARG 67 H ARG 67 -9.942 0.669 2.012 530 HA ARG 67 HA ARG 67 -10.475 3.435 1.666 531 HE ARG 67 HE ARG 67 -10.478 5.373 2.716 532 HB2 ARG 67 1HB ARG 67 -11.601 1.597 3.261 533 HB3 ARG 67 2HB ARG 67 -10.471 2.217 4.440 534 HG2 ARG 67 1HG ARG 67 -12.588 3.870 3.011 535 HG3 ARG 67 2HG ARG 67 -12.766 3.186 4.618 536 HD2 ARG 67 1HD ARG 67 -12.231 5.427 5.064 537 HD3 ARG 67 2HD ARG 67 -10.665 4.630 5.217 538 HH11 ARG 67 1HH1 ARG 67 -11.870 7.310 5.288 539 HH12 ARG 67 2HH1 ARG 67 -11.453 8.809 4.528 540 HH21 ARG 67 1HH2 ARG 67 -9.930 7.322 1.754 541 HH22 ARG 67 2HH2 ARG 67 -10.366 8.818 2.513 542 H ARG 68 H ARG 68 -8.172 1.714 3.793 543 HA ARG 68 HA ARG 68 -6.913 4.065 4.828 544 HE ARG 68 HE ARG 68 -8.879 1.801 8.420 545 HB2 ARG 68 1HB ARG 68 -5.863 1.207 4.749 546 HB3 ARG 68 2HB ARG 68 -5.212 2.508 5.741 547 HG2 ARG 68 1HG ARG 68 -7.962 1.266 5.987 548 HG3 ARG 68 2HG ARG 68 -6.602 1.029 7.075 549 HD2 ARG 68 1HD ARG 68 -6.677 3.541 7.520 550 HD3 ARG 68 2HD ARG 68 -8.205 3.563 6.645 551 HH11 ARG 68 1HH1 ARG 68 -6.813 4.574 9.063 552 HH12 ARG 68 2HH1 ARG 68 -7.299 4.715 10.721 553 HH21 ARG 68 1HH2 ARG 68 -9.538 2.026 10.606 554 HH22 ARG 68 2HH2 ARG 68 -8.864 3.287 11.586 555 H ALA 69 H ALA 69 -6.354 2.047 2.035 556 HA ALA 69 HA ALA 69 -3.806 2.889 1.206 557 HB1 ALA 69 3HB ALA 69 -6.187 2.136 -0.540 558 HB2 ALA 69 1HB ALA 69 -5.003 1.015 0.137 559 HB3 ALA 69 2HB ALA 69 -4.504 2.201 -1.066 560 H LEU 70 H LEU 70 -6.996 4.125 0.188 561 HA LEU 70 HA LEU 70 -6.170 6.422 -1.165 562 HG LEU 70 HG LEU 70 -8.642 8.298 -0.014 563 HB2 LEU 70 1HB LEU 70 -8.456 5.577 -1.385 564 HB3 LEU 70 2HB LEU 70 -8.762 5.838 0.325 565 HD11 LEU 70 1HD1 LEU 70 -8.326 7.690 -2.962 566 HD12 LEU 70 2HD1 LEU 70 -7.089 8.367 -1.902 567 HD13 LEU 70 3HD1 LEU 70 -8.551 9.286 -2.240 568 HD21 LEU 70 3HD2 LEU 70 -10.847 7.235 -0.170 569 HD22 LEU 70 1HD2 LEU 70 -10.616 6.963 -1.900 570 HD23 LEU 70 2HD2 LEU 70 -10.738 8.607 -1.267 571 H ASP 71 H ASP 71 -7.273 6.068 2.195 572 HA ASP 71 HA ASP 71 -7.340 8.712 2.996 573 HB2 ASP 71 1HB ASP 71 -8.387 6.874 4.239 574 HB3 ASP 71 2HB ASP 71 -6.813 6.206 4.643 575 H ALA 72 H ALA 72 -4.711 6.395 3.629 576 HA ALA 72 HA ALA 72 -2.873 8.123 4.894 577 HB1 ALA 72 3HB ALA 72 -2.769 5.644 4.943 578 HB2 ALA 72 1HB ALA 72 -1.242 6.348 4.430 579 HB3 ALA 72 2HB ALA 72 -2.319 5.621 3.239 580 H ALA 73 H ALA 73 -3.189 7.128 1.468 581 HA ALA 73 HA ALA 73 -1.009 8.614 0.453 582 HB1 ALA 73 3HB ALA 73 -3.502 7.695 -1.017 583 HB2 ALA 73 1HB ALA 73 -2.036 6.738 -0.772 584 HB3 ALA 73 2HB ALA 73 -1.983 8.199 -1.758 585 H LYS 74 H LYS 74 -4.354 9.552 1.175 586 HA LYS 74 HA LYS 74 -4.493 11.947 -0.339 587 HB2 LYS 74 1HB LYS 74 -5.904 11.382 2.306 588 HB3 LYS 74 2HB LYS 74 -6.280 12.708 1.211 589 HG2 LYS 74 1HG LYS 74 -6.757 10.792 -0.526 590 HG3 LYS 74 2HG LYS 74 -6.839 9.763 0.900 591 HD2 LYS 74 1HD LYS 74 -9.085 10.427 0.401 592 HD3 LYS 74 2HD LYS 74 -8.600 11.344 1.829 593 HE2 LYS 74 1HE LYS 74 -8.087 13.294 0.350 594 HE3 LYS 74 2HE LYS 74 -8.659 12.355 -1.041 595 HZ1 LYS 74 3HZ LYS 74 -10.296 13.929 -0.071 596 HZ2 LYS 74 1HZ LYS 74 -10.342 12.980 1.325 597 HZ3 LYS 74 2HZ LYS 74 -10.840 12.329 -0.158 598 H SER 75 H SER 75 -3.711 11.362 3.074 599 HA SER 75 HA SER 75 -3.161 13.936 3.899 600 HG SER 75 HG SER 75 -4.357 12.240 5.086 601 HB2 SER 75 1HB SER 75 -1.720 11.433 4.875 602 HB3 SER 75 2HB SER 75 -1.985 12.934 5.775 603 H MET 76 H MET 76 -0.918 11.555 2.497 604 HA MET 76 HA MET 76 1.414 13.185 2.626 605 HB2 MET 76 1HB MET 76 0.732 10.634 1.146 606 HB3 MET 76 2HB MET 76 2.293 11.424 0.920 607 HG2 MET 76 1HG MET 76 2.312 9.603 2.629 608 HG3 MET 76 2HG MET 76 2.855 11.170 3.237 609 HE1 MET 76 3HE MET 76 2.454 9.741 5.651 610 HE2 MET 76 1HE MET 76 1.140 10.537 6.516 611 HE3 MET 76 2HE MET 76 2.334 11.502 5.654 612 H HIS 77 H HIS 77 -0.975 12.708 0.028 613 HA HIS 77 HA HIS 77 0.281 14.312 -1.935 614 HD1 HIS 77 HD1 HIS 77 -1.540 14.136 -4.900 615 HD2 HIS 77 HD2 HIS 77 -1.194 10.904 -2.305 616 HE1 HIS 77 HE1 HIS 77 -1.009 12.159 -6.335 617 HE2 HIS 77 HE2 HIS 77 -0.998 10.200 -4.773 618 HB2 HIS 77 1HB HIS 77 -2.539 13.374 -1.459 619 HB3 HIS 77 2HB HIS 77 -2.311 14.707 -2.584 620 H GLU 78 H GLU 78 -1.693 15.136 0.850 621 HA GLU 78 HA GLU 78 -1.968 17.937 0.232 622 HB2 GLU 78 1HB GLU 78 -2.370 16.571 2.924 623 HB3 GLU 78 2HB GLU 78 -3.051 18.109 2.399 624 HG2 GLU 78 1HG GLU 78 -3.722 15.390 1.269 625 HG3 GLU 78 2HG GLU 78 -4.711 16.286 2.393 626 H LEU 79 H LEU 79 0.380 15.949 1.915 627 HA LEU 79 HA LEU 79 1.765 18.086 3.267 628 HG LEU 79 HG LEU 79 0.947 14.964 4.024 629 HB2 LEU 79 1HB LEU 79 2.819 15.322 2.539 630 HB3 LEU 79 2HB LEU 79 3.569 16.438 3.671 631 HD11 LEU 79 1HD1 LEU 79 3.515 14.728 5.594 632 HD12 LEU 79 2HD1 LEU 79 2.917 13.573 4.401 633 HD13 LEU 79 3HD1 LEU 79 2.017 13.839 5.891 634 HD21 LEU 79 3HD2 LEU 79 2.152 17.010 5.910 635 HD22 LEU 79 1HD2 LEU 79 0.762 15.978 6.262 636 HD23 LEU 79 2HD2 LEU 79 0.657 17.188 4.988 637 H GLY 80 H GLY 80 1.897 16.698 0.050 638 HA2 GLY 80 1HA GLY 80 2.827 18.385 -1.606 639 HA3 GLY 80 2HA GLY 80 4.297 18.324 -0.648 640 H TYR 81 H TYR 81 3.408 15.263 -0.401 641 HA TYR 81 HA TYR 81 5.105 14.280 -2.531 642 HD1 TYR 81 HD2 TYR 81 7.065 12.960 -1.025 643 HD2 TYR 81 HD1 TYR 81 3.707 13.435 1.577 644 HE1 TYR 81 HE2 TYR 81 8.585 13.336 0.873 645 HE2 TYR 81 HE1 TYR 81 5.227 13.815 3.467 646 HH TYR 81 HH TYR 81 7.573 13.276 4.098 647 HB2 TYR 81 1HB TYR 81 3.342 12.673 -0.635 648 HB3 TYR 81 2HB TYR 81 4.683 12.053 -1.593 649 H THR 82 H THR 82 4.255 12.325 -3.853 650 HA THR 82 HA THR 82 1.387 12.329 -4.453 651 HB THR 82 HB THR 82 2.073 12.141 -7.013 652 HG1 THR 82 HG1 THR 82 4.298 12.180 -6.758 653 HG21 THR 82 3HG2 THR 82 0.675 13.989 -6.185 654 HG22 THR 82 1HG2 THR 82 1.845 14.571 -7.372 655 HG23 THR 82 2HG2 THR 82 2.116 14.856 -5.652 656 HA PRO 83 HA PRO 83 3.144 7.953 -4.478 657 HB2 PRO 83 1HB PRO 83 1.950 6.953 -2.263 658 HB3 PRO 83 2HB PRO 83 3.457 7.878 -2.147 659 HG2 PRO 83 1HG PRO 83 0.617 8.829 -1.711 660 HG3 PRO 83 2HG PRO 83 2.047 9.074 -0.680 661 HD2 PRO 83 1HD PRO 83 1.185 10.972 -2.435 662 HD3 PRO 83 2HD PRO 83 2.902 10.761 -2.039 663 H TYR 84 H TYR 84 1.937 6.106 -5.103 664 HA TYR 84 HA TYR 84 -0.830 6.479 -5.949 665 HD1 TYR 84 HD1 TYR 84 -1.082 5.595 -8.842 666 HD2 TYR 84 HD2 TYR 84 2.895 5.420 -7.285 667 HE1 TYR 84 HE1 TYR 84 -0.234 6.658 -10.886 668 HE2 TYR 84 HE2 TYR 84 3.736 6.482 -9.335 669 HH TYR 84 HH TYR 84 3.001 6.675 -11.732 670 HB2 TYR 84 1HB TYR 84 1.079 4.116 -6.237 671 HB3 TYR 84 2HB TYR 84 -0.553 4.158 -6.901 672 H TYR 85 H TYR 85 -2.263 4.424 -5.577 673 HA TYR 85 HA TYR 85 -1.823 3.030 -3.083 674 HD1 TYR 85 HD1 TYR 85 -3.332 6.786 -3.965 675 HD2 TYR 85 HD2 TYR 85 -6.170 3.683 -3.208 676 HE1 TYR 85 HE1 TYR 85 -5.072 8.101 -5.072 677 HE2 TYR 85 HE2 TYR 85 -7.912 5.001 -4.331 678 HH TYR 85 HH TYR 85 -7.202 7.734 -6.231 679 HB2 TYR 85 1HB TYR 85 -4.010 3.655 -2.090 680 HB3 TYR 85 2HB TYR 85 -2.919 5.021 -2.219 681 H LEU 86 H LEU 86 -2.981 1.141 -2.909 682 HA LEU 86 HA LEU 86 -4.255 0.188 -5.401 683 HG LEU 86 HG LEU 86 -2.417 -3.098 -5.224 684 HB2 LEU 86 1HB LEU 86 -2.044 -0.820 -4.823 685 HB3 LEU 86 2HB LEU 86 -2.705 -1.393 -3.313 686 HD11 LEU 86 1HD1 LEU 86 -5.162 -2.968 -3.959 687 HD12 LEU 86 2HD1 LEU 86 -3.714 -3.674 -3.239 688 HD13 LEU 86 3HD1 LEU 86 -4.411 -4.393 -4.688 689 HD21 LEU 86 3HD2 LEU 86 -4.164 -3.254 -6.900 690 HD22 LEU 86 1HD2 LEU 86 -3.306 -1.723 -7.036 691 HD23 LEU 86 2HD2 LEU 86 -4.911 -1.773 -6.299 692 H GLU 87 H GLU 87 -6.297 -0.090 -5.246 693 HA GLU 87 HA GLU 87 -7.659 -0.803 -2.731 694 HB2 GLU 87 1HB GLU 87 -8.753 0.100 -5.436 695 HB3 GLU 87 2HB GLU 87 -9.719 -0.202 -3.991 696 HG2 GLU 87 1HG GLU 87 -8.560 1.648 -2.831 697 HG3 GLU 87 2HG GLU 87 -7.589 1.943 -4.275 698 H GLY 88 H GLY 88 -7.676 -2.957 -2.421 699 HA2 GLY 88 1HA GLY 88 -9.028 -4.807 -4.014 700 HA3 GLY 88 2HA GLY 88 -7.318 -4.954 -4.406 701 H ASN 89 H ASN 89 -8.915 -6.991 -3.208 702 HA ASN 89 HA ASN 89 -8.611 -7.040 -0.362 703 HB2 ASN 89 1HB ASN 89 -9.408 -9.224 -2.310 704 HB3 ASN 89 2HB ASN 89 -9.420 -9.413 -0.558 705 HD21 ASN 89 2HD2 ASN 89 -11.574 -9.731 -0.347 706 HD22 ASN 89 1HD2 ASN 89 -12.767 -8.528 -0.672 707 H VAL 90 H VAL 90 -6.920 -7.694 0.821 708 HA VAL 90 HA VAL 90 -4.410 -8.208 -0.369 709 HB VAL 90 HB VAL 90 -4.670 -7.076 1.837 710 HG11 VAL 90 1HG1 VAL 90 -5.248 -9.834 2.966 711 HG12 VAL 90 2HG1 VAL 90 -6.387 -8.493 2.858 712 HG13 VAL 90 3HG1 VAL 90 -4.979 -8.366 3.912 713 HG21 VAL 90 3HG2 VAL 90 -2.686 -8.088 2.938 714 HG22 VAL 90 1HG2 VAL 90 -2.466 -7.927 1.195 715 HG23 VAL 90 2HG2 VAL 90 -2.841 -9.503 1.894 716 H TYR 91 H TYR 91 -6.877 -10.345 0.750 717 HA TYR 91 HA TYR 91 -5.325 -12.774 0.854 718 HD1 TYR 91 HD1 TYR 91 -6.404 -13.548 3.635 719 HD2 TYR 91 HD2 TYR 91 -8.841 -10.496 1.904 720 HE1 TYR 91 HE1 TYR 91 -6.648 -12.480 5.838 721 HE2 TYR 91 HE2 TYR 91 -9.075 -9.436 4.104 722 HH TYR 91 HH TYR 91 -7.155 -10.296 6.778 723 HB2 TYR 91 1HB TYR 91 -8.356 -12.530 0.632 724 HB3 TYR 91 2HB TYR 91 -7.433 -13.847 1.346 725 H ASP 92 H ASP 92 -7.204 -11.014 -1.484 726 HA ASP 92 HA ASP 92 -7.455 -13.150 -3.422 727 HB2 ASP 92 1HB ASP 92 -8.321 -10.247 -3.379 728 HB3 ASP 92 2HB ASP 92 -8.357 -11.151 -4.888 729 H PHE 93 H PHE 93 -5.068 -10.715 -2.753 730 HA PHE 93 HA PHE 93 -3.862 -10.225 -5.198 731 HD1 PHE 93 HD1 PHE 93 -4.680 -8.534 -4.054 732 HD2 PHE 93 HD2 PHE 93 -1.213 -8.783 -1.593 733 HE1 PHE 93 HE1 PHE 93 -5.134 -6.285 -3.205 734 HE2 PHE 93 HE2 PHE 93 -1.675 -6.537 -0.746 735 HZ PHE 93 HZ PHE 93 -3.626 -5.274 -1.539 736 HB2 PHE 93 1HB PHE 93 -2.437 -10.886 -2.580 737 HB3 PHE 93 2HB PHE 93 -1.660 -10.156 -3.983 738 H GLU 94 H GLU 94 -3.518 -13.024 -3.103 739 HA GLU 94 HA GLU 94 -1.437 -14.314 -4.490 740 HB2 GLU 94 1HB GLU 94 -2.180 -14.591 -2.041 741 HB3 GLU 94 2HB GLU 94 -3.443 -15.660 -2.643 742 HG2 GLU 94 1HG GLU 94 -1.680 -17.120 -3.628 743 HG3 GLU 94 2HG GLU 94 -0.458 -16.044 -2.941 744 H LYS 95 H LYS 95 -4.993 -14.914 -4.490 745 HA LYS 95 HA LYS 95 -4.865 -17.077 -6.370 746 HB2 LYS 95 1HB LYS 95 -7.365 -16.875 -6.495 747 HB3 LYS 95 2HB LYS 95 -6.745 -17.040 -4.856 748 HG2 LYS 95 1HG LYS 95 -7.069 -14.690 -4.424 749 HG3 LYS 95 2HG LYS 95 -7.522 -14.388 -6.099 750 HD2 LYS 95 1HD LYS 95 -9.107 -16.174 -4.208 751 HD3 LYS 95 2HD LYS 95 -9.452 -14.465 -4.461 752 HE2 LYS 95 1HE LYS 95 -9.778 -14.980 -6.915 753 HE3 LYS 95 2HE LYS 95 -9.640 -16.694 -6.516 754 HZ1 LYS 95 3HZ LYS 95 -11.548 -16.407 -5.007 755 HZ2 LYS 95 1HZ LYS 95 -11.940 -16.067 -6.616 756 HZ3 LYS 95 2HZ LYS 95 -11.705 -14.804 -5.515 757 H TYR 96 H TYR 96 -5.115 -13.587 -6.768 758 HA TYR 96 HA TYR 96 -5.884 -13.590 -9.529 759 HD1 TYR 96 HD2 TYR 96 -7.316 -12.543 -7.043 760 HD2 TYR 96 HD1 TYR 96 -6.343 -9.730 -10.111 761 HE1 TYR 96 HE2 TYR 96 -9.611 -11.681 -6.983 762 HE2 TYR 96 HE1 TYR 96 -8.648 -8.875 -10.054 763 HH TYR 96 HH TYR 96 -10.926 -9.742 -9.356 764 HB2 TYR 96 1HB TYR 96 -4.744 -11.517 -7.663 765 HB3 TYR 96 2HB TYR 96 -4.660 -11.202 -9.390 766 H GLY 97 H GLY 97 -2.800 -13.881 -7.843 767 HA2 GLY 97 1HA GLY 97 -1.307 -15.485 -9.107 768 HA3 GLY 97 2HA GLY 97 -1.420 -14.360 -10.452 769 H PHE 98 H PHE 98 -1.318 -12.820 -7.423 770 HA PHE 98 HA PHE 98 1.426 -11.897 -7.892 771 HD1 PHE 98 HD1 PHE 98 1.292 -9.193 -8.565 772 HD2 PHE 98 HD2 PHE 98 -2.580 -10.451 -7.269 773 HE1 PHE 98 HE1 PHE 98 0.264 -7.908 -10.381 774 HE2 PHE 98 HE2 PHE 98 -3.604 -9.161 -9.092 775 HZ PHE 98 HZ PHE 98 -2.188 -7.891 -10.654 776 HB2 PHE 98 1HB PHE 98 -0.660 -10.907 -5.891 777 HB3 PHE 98 2HB PHE 98 0.887 -10.135 -6.241 778 H ARG 99 H ARG 99 3.088 -12.215 -6.460 779 HA ARG 99 HA ARG 99 3.061 -14.458 -4.717 780 HE ARG 99 HE ARG 99 7.331 -14.587 -1.962 781 HB2 ARG 99 1HB ARG 99 5.126 -13.970 -5.778 782 HB3 ARG 99 2HB ARG 99 5.074 -12.276 -5.326 783 HG2 ARG 99 1HG ARG 99 6.821 -13.380 -4.079 784 HG3 ARG 99 2HG ARG 99 5.530 -12.906 -2.983 785 HD2 ARG 99 1HD ARG 99 4.692 -15.223 -3.000 786 HD3 ARG 99 2HD ARG 99 6.056 -15.693 -4.021 787 HH11 ARG 99 1HH1 ARG 99 4.677 -16.895 -1.928 788 HH12 ARG 99 2HH1 ARG 99 5.135 -17.572 -0.402 789 HH21 ARG 99 1HH2 ARG 99 7.910 -15.489 0.035 790 HH22 ARG 99 2HH2 ARG 99 6.974 -16.785 0.707 791 H MET 100 H MET 100 2.754 -14.610 -2.608 792 HA MET 100 HA MET 100 2.375 -12.270 -0.864 793 HB2 MET 100 1HB MET 100 0.326 -14.437 -1.429 794 HB3 MET 100 2HB MET 100 0.306 -13.528 0.079 795 HG2 MET 100 1HG MET 100 0.128 -12.272 -2.657 796 HG3 MET 100 2HG MET 100 -1.235 -12.641 -1.626 797 HE1 MET 100 3HE MET 100 -1.756 -11.429 0.689 798 HE2 MET 100 1HE MET 100 -0.661 -10.260 1.426 799 HE3 MET 100 2HE MET 100 -0.175 -11.948 1.280 800 H VAL 101 H VAL 101 2.776 -12.667 1.296 801 HA VAL 101 HA VAL 101 4.064 -15.251 2.014 802 HB VAL 101 HB VAL 101 4.741 -12.511 3.213 803 HG11 VAL 101 1HG1 VAL 101 5.294 -14.347 4.695 804 HG12 VAL 101 2HG1 VAL 101 6.789 -13.691 4.028 805 HG13 VAL 101 3HG1 VAL 101 6.135 -15.206 3.398 806 HG21 VAL 101 3HG2 VAL 101 5.331 -12.542 0.786 807 HG22 VAL 101 1HG2 VAL 101 6.332 -13.970 1.060 808 HG23 VAL 101 2HG2 VAL 101 6.752 -12.429 1.823 809 H TYR 102 H TYR 102 3.004 -16.307 3.622 810 HA TYR 102 HA TYR 102 1.048 -14.856 5.324 811 HD1 TYR 102 HD1 TYR 102 0.813 -15.883 2.181 812 HD2 TYR 102 HD2 TYR 102 -2.172 -16.875 5.075 813 HE1 TYR 102 HE1 TYR 102 -0.938 -15.177 0.625 814 HE2 TYR 102 HE2 TYR 102 -3.920 -16.168 3.507 815 HH TYR 102 HH TYR 102 -3.342 -15.665 0.217 816 HB2 TYR 102 1HB TYR 102 1.087 -17.712 4.269 817 HB3 TYR 102 2HB TYR 102 0.072 -17.253 5.633 818 H ASP 103 H ASP 103 0.847 -15.453 7.515 819 HA ASP 103 HA ASP 103 1.433 -16.032 9.603 820 HB2 ASP 103 1HB ASP 103 1.080 -18.320 8.657 821 HB3 ASP 103 2HB ASP 103 2.785 -18.402 8.234 822 H ASP 104 H ASP 104 2.794 -14.022 9.059 823 HA ASP 104 HA ASP 104 5.688 -14.437 9.420 824 HB2 ASP 104 1HB ASP 104 4.043 -11.975 8.685 825 HB3 ASP 104 2HB ASP 104 5.788 -11.954 8.925 826 H THR 105 H THR 105 3.677 -14.896 11.541 827 HA THR 105 HA THR 105 4.062 -12.845 13.524 828 HB THR 105 HB THR 105 1.958 -14.120 13.428 829 HG1 THR 105 HG1 THR 105 2.838 -13.224 15.434 830 HG21 THR 105 3HG2 THR 105 3.570 -16.526 14.343 831 HG22 THR 105 1HG2 THR 105 2.794 -16.337 12.769 832 HG23 THR 105 2HG2 THR 105 1.810 -16.439 14.230 833 H CYS 106 H CYS 106 6.254 -14.897 12.347 834 HA CYS 106 HA CYS 106 8.382 -15.274 12.902 835 HG CYS 106 HG CYS 106 6.976 -12.049 13.211 836 HB2 CYS 106 1HB CYS 106 7.830 -13.592 15.375 837 HB3 CYS 106 2HB CYS 106 9.417 -13.951 14.694 838 H ASP 107 H ASP 107 9.027 -15.456 16.058 839 HA ASP 107 HA ASP 107 9.132 -18.241 16.224 840 HB2 ASP 107 1HB ASP 107 9.161 -16.173 18.464 841 HB3 ASP 107 2HB ASP 107 9.612 -17.864 18.668 842 H LYS 108 H LYS 108 7.437 -19.534 16.223 843 HA LYS 108 HA LYS 108 4.952 -18.917 17.701 844 HB2 LYS 108 1HB LYS 108 4.616 -19.227 15.290 845 HB3 LYS 108 2HB LYS 108 5.511 -20.740 15.317 846 HG2 LYS 108 1HG LYS 108 3.701 -21.710 16.792 847 HG3 LYS 108 2HG LYS 108 2.780 -20.224 16.549 848 HD2 LYS 108 1HD LYS 108 3.693 -22.084 14.316 849 HD3 LYS 108 2HD LYS 108 2.085 -22.110 15.037 850 HE2 LYS 108 1HE LYS 108 1.671 -19.831 14.248 851 HE3 LYS 108 2HE LYS 108 3.298 -19.743 13.570 852 HZ1 LYS 108 3HZ LYS 108 1.182 -21.650 12.730 853 HZ2 LYS 108 1HZ LYS 108 2.730 -21.530 12.061 854 HZ3 LYS 108 2HZ LYS 108 1.637 -20.252 11.896 855 H LYS 109 H LYS 109 7.400 -21.417 17.060 856 HA LYS 109 HA LYS 109 8.047 -23.344 18.025 857 HB2 LYS 109 1HB LYS 109 6.683 -22.135 20.462 858 HB3 LYS 109 2HB LYS 109 7.441 -23.717 20.525 859 HG2 LYS 109 1HG LYS 109 8.990 -22.188 21.437 860 HG3 LYS 109 2HG LYS 109 9.597 -22.622 19.841 861 HD2 LYS 109 1HD LYS 109 8.919 -20.491 18.920 862 HD3 LYS 109 2HD LYS 109 8.016 -20.083 20.382 863 HE2 LYS 109 1HE LYS 109 10.135 -18.860 20.305 864 HE3 LYS 109 2HE LYS 109 10.121 -19.992 21.655 865 HZ1 LYS 109 3HZ LYS 109 11.452 -20.457 19.042 866 HZ2 LYS 109 1HZ LYS 109 11.473 -21.509 20.369 867 HZ3 LYS 109 2HZ LYS 109 12.233 -20.001 20.473 868 H ASN 110 H ASN 110 6.982 -25.279 19.539 869 HA ASN 110 HA ASN 110 4.177 -25.757 18.880 870 HB2 ASN 110 1HB ASN 110 4.578 -28.005 17.943 871 HB3 ASN 110 2HB ASN 110 5.399 -26.792 16.973 872 HD21 ASN 110 2HD2 ASN 110 5.811 -29.500 19.111 873 HD22 ASN 110 1HD2 ASN 110 7.500 -29.723 18.842 Start of MODEL 6 1 HA MET 1 HA MET 1 -5.866 15.532 -8.719 2 H1 MET 1 1H MET 1 -8.109 16.086 -8.178 3 H2 MET 1 2H MET 1 -8.262 14.702 -7.229 4 H3 MET 1 3H MET 1 -8.034 14.558 -8.893 5 HB2 MET 1 1HB MET 1 -6.340 16.948 -6.775 6 HB3 MET 1 2HB MET 1 -6.459 15.538 -5.741 7 HG2 MET 1 1HG MET 1 -3.866 15.948 -7.178 8 HG3 MET 1 2HG MET 1 -4.252 17.053 -5.861 9 HE1 MET 1 3HE MET 1 -4.639 14.614 -2.819 10 HE2 MET 1 1HE MET 1 -5.926 15.209 -3.866 11 HE3 MET 1 2HE MET 1 -4.644 16.299 -3.337 12 H LEU 2 H LEU 2 -6.356 13.404 -5.792 13 HA LEU 2 HA LEU 2 -4.322 11.647 -6.966 14 HG LEU 2 HG LEU 2 -6.233 10.056 -4.237 15 HB2 LEU 2 1HB LEU 2 -3.842 10.791 -4.890 16 HB3 LEU 2 2HB LEU 2 -4.337 12.418 -4.485 17 HD11 LEU 2 1HD1 LEU 2 -4.252 9.559 -2.891 18 HD12 LEU 2 2HD1 LEU 2 -5.641 9.924 -1.867 19 HD13 LEU 2 3HD1 LEU 2 -4.379 11.136 -2.097 20 HD21 LEU 2 3HD2 LEU 2 -7.294 12.277 -4.230 21 HD22 LEU 2 1HD2 LEU 2 -6.242 12.778 -2.900 22 HD23 LEU 2 2HD2 LEU 2 -7.426 11.491 -2.657 23 H GLU 3 H GLU 3 -7.671 11.645 -7.022 24 HA GLU 3 HA GLU 3 -8.327 8.942 -6.523 25 HB2 GLU 3 1HB GLU 3 -10.435 9.419 -7.825 26 HB3 GLU 3 2HB GLU 3 -10.128 10.497 -6.478 27 HG2 GLU 3 1HG GLU 3 -9.124 11.449 -9.113 28 HG3 GLU 3 2HG GLU 3 -10.871 11.322 -8.981 29 H ASP 4 H ASP 4 -6.862 10.424 -9.276 30 HA ASP 4 HA ASP 4 -7.373 8.261 -11.144 31 HB2 ASP 4 1HB ASP 4 -5.467 10.641 -11.286 32 HB3 ASP 4 2HB ASP 4 -5.819 9.547 -12.620 33 H TYR 5 H TYR 5 -5.069 8.894 -8.660 34 HA TYR 5 HA TYR 5 -3.044 7.003 -9.524 35 HD1 TYR 5 HD1 TYR 5 -3.794 10.332 -8.824 36 HD2 TYR 5 HD2 TYR 5 -0.130 8.538 -7.539 37 HE1 TYR 5 HE1 TYR 5 -2.554 12.319 -9.565 38 HE2 TYR 5 HE2 TYR 5 1.105 10.531 -8.281 39 HH TYR 5 HH TYR 5 0.741 12.428 -9.968 40 HB2 TYR 5 1HB TYR 5 -3.491 8.375 -6.832 41 HB3 TYR 5 2HB TYR 5 -2.117 7.340 -7.200 42 H ALA 6 H ALA 6 -6.148 6.586 -8.464 43 HA ALA 6 HA ALA 6 -5.943 4.485 -6.539 44 HB1 ALA 6 3HB ALA 6 -8.283 5.197 -8.348 45 HB2 ALA 6 1HB ALA 6 -7.976 5.872 -6.747 46 HB3 ALA 6 2HB ALA 6 -8.352 4.157 -6.922 47 H ILE 7 H ILE 7 -4.483 3.001 -7.375 48 HA ILE 7 HA ILE 7 -4.905 1.679 -9.904 49 HB ILE 7 HB ILE 7 -2.972 1.006 -7.633 50 HG12 ILE 7 1HG1 ILE 7 -2.692 2.649 -10.196 51 HG13 ILE 7 2HG1 ILE 7 -2.399 3.163 -8.544 52 HG21 ILE 7 1HG2 ILE 7 -1.785 -0.422 -9.253 53 HG22 ILE 7 2HG2 ILE 7 -3.015 -0.089 -10.475 54 HG23 ILE 7 3HG2 ILE 7 -3.438 -0.986 -9.016 55 HD11 ILE 7 3HD1 ILE 7 -0.324 2.979 -9.686 56 HD12 ILE 7 1HD1 ILE 7 -0.691 1.336 -10.212 57 HD13 ILE 7 2HD1 ILE 7 -0.407 1.674 -8.509 58 H SER 8 H SER 8 -5.753 -0.330 -10.251 59 HA SER 8 HA SER 8 -7.506 -1.418 -8.125 60 HG SER 8 HG SER 8 -8.124 0.542 -9.921 61 HB2 SER 8 1HB SER 8 -7.782 -1.532 -11.161 62 HB3 SER 8 2HB SER 8 -8.951 -2.157 -9.996 63 H LEU 9 H LEU 9 -7.573 -3.624 -7.779 64 HA LEU 9 HA LEU 9 -5.216 -5.109 -8.069 65 HG LEU 9 HG LEU 9 -6.918 -8.059 -7.818 66 HB2 LEU 9 1HB LEU 9 -6.723 -5.471 -6.223 67 HB3 LEU 9 2HB LEU 9 -8.027 -5.939 -7.298 68 HD11 LEU 9 1HD1 LEU 9 -4.629 -7.126 -6.058 69 HD12 LEU 9 2HD1 LEU 9 -4.576 -7.409 -7.800 70 HD13 LEU 9 3HD1 LEU 9 -4.823 -8.761 -6.699 71 HD21 LEU 9 3HD2 LEU 9 -8.339 -7.993 -5.822 72 HD22 LEU 9 1HD2 LEU 9 -6.947 -7.550 -4.826 73 HD23 LEU 9 2HD2 LEU 9 -7.011 -9.130 -5.612 74 H GLU 10 H GLU 10 -8.016 -4.945 -10.139 75 HA GLU 10 HA GLU 10 -7.781 -7.271 -11.660 76 HB2 GLU 10 1HB GLU 10 -9.092 -6.091 -13.385 77 HB3 GLU 10 2HB GLU 10 -9.732 -5.776 -11.775 78 HG2 GLU 10 1HG GLU 10 -8.661 -3.577 -11.747 79 HG3 GLU 10 2HG GLU 10 -7.943 -3.877 -13.323 80 H GLU 11 H GLU 11 -5.984 -4.232 -11.920 81 HA GLU 11 HA GLU 11 -4.353 -5.303 -14.160 82 HB2 GLU 11 1HB GLU 11 -4.378 -2.963 -15.097 83 HB3 GLU 11 2HB GLU 11 -5.935 -3.775 -15.121 84 HG2 GLU 11 1HG GLU 11 -6.528 -1.651 -14.427 85 HG3 GLU 11 2HG GLU 11 -6.394 -2.494 -12.901 86 H VAL 12 H VAL 12 -4.038 -4.770 -11.055 87 HA VAL 12 HA VAL 12 -1.983 -2.799 -10.814 88 HB VAL 12 HB VAL 12 -3.407 -3.563 -8.894 89 HG11 VAL 12 1HG1 VAL 12 -2.856 -5.614 -7.663 90 HG12 VAL 12 2HG1 VAL 12 -1.682 -6.063 -8.903 91 HG13 VAL 12 3HG1 VAL 12 -3.400 -5.981 -9.302 92 HG21 VAL 12 3HG2 VAL 12 -1.635 -3.476 -7.171 93 HG22 VAL 12 1HG2 VAL 12 -1.356 -2.291 -8.447 94 HG23 VAL 12 2HG2 VAL 12 -0.409 -3.783 -8.404 95 H ASN 13 H ASN 13 0.275 -3.135 -10.430 96 HA ASN 13 HA ASN 13 1.439 -5.771 -11.083 97 HB2 ASN 13 1HB ASN 13 2.498 -3.122 -12.189 98 HB3 ASN 13 2HB ASN 13 3.136 -4.726 -12.524 99 HD21 ASN 13 2HD2 ASN 13 0.550 -2.466 -13.213 100 HD22 ASN 13 1HD2 ASN 13 -0.068 -3.298 -14.594 101 H PHE 14 H PHE 14 1.624 -5.886 -8.718 102 HA PHE 14 HA PHE 14 2.872 -3.960 -7.087 103 HD1 PHE 14 HD1 PHE 14 1.471 -3.927 -4.988 104 HD2 PHE 14 HD2 PHE 14 0.612 -7.741 -6.691 105 HE1 PHE 14 HE1 PHE 14 -0.871 -3.728 -4.269 106 HE2 PHE 14 HE2 PHE 14 -1.726 -7.537 -5.974 107 HZ PHE 14 HZ PHE 14 -2.470 -5.529 -4.765 108 HB2 PHE 14 1HB PHE 14 2.833 -6.984 -6.685 109 HB3 PHE 14 2HB PHE 14 3.283 -5.816 -5.452 110 H ASN 15 H ASN 15 4.220 -6.434 -9.115 111 HA ASN 15 HA ASN 15 6.895 -6.483 -8.198 112 HB2 ASN 15 1HB ASN 15 5.860 -7.105 -11.002 113 HB3 ASN 15 2HB ASN 15 7.382 -7.655 -10.305 114 HD21 ASN 15 2HD2 ASN 15 6.877 -9.821 -10.651 115 HD22 ASN 15 1HD2 ASN 15 5.680 -10.666 -9.737 116 H ASP 16 H ASP 16 5.174 -4.132 -9.990 117 HA ASP 16 HA ASP 16 7.493 -2.966 -11.345 118 HB2 ASP 16 1HB ASP 16 5.235 -3.245 -12.498 119 HB3 ASP 16 2HB ASP 16 4.586 -2.044 -11.401 120 H PHE 17 H PHE 17 5.533 -2.433 -8.466 121 HA PHE 17 HA PHE 17 6.694 0.301 -8.122 122 HD1 PHE 17 HD1 PHE 17 4.761 1.438 -9.750 123 HD2 PHE 17 HD2 PHE 17 2.357 -1.427 -7.725 124 HE1 PHE 17 HE1 PHE 17 3.238 1.376 -11.661 125 HE2 PHE 17 HE2 PHE 17 0.820 -1.497 -9.646 126 HZ PHE 17 HZ PHE 17 1.268 -0.103 -11.627 127 HB2 PHE 17 1HB PHE 17 4.201 -0.502 -6.600 128 HB3 PHE 17 2HB PHE 17 4.734 1.088 -7.098 129 H ILE 18 H ILE 18 7.498 0.840 -6.056 130 HA ILE 18 HA ILE 18 8.229 -1.256 -4.200 131 HB ILE 18 HB ILE 18 8.378 1.777 -3.796 132 HG12 ILE 18 1HG1 ILE 18 10.588 -0.077 -4.831 133 HG13 ILE 18 2HG1 ILE 18 9.634 0.994 -5.850 134 HG21 ILE 18 1HG2 ILE 18 10.101 1.254 -2.087 135 HG22 ILE 18 2HG2 ILE 18 9.850 -0.471 -2.353 136 HG23 ILE 18 3HG2 ILE 18 8.548 0.517 -1.686 137 HD11 ILE 18 3HD1 ILE 18 11.814 1.915 -5.384 138 HD12 ILE 18 1HD1 ILE 18 11.502 1.854 -3.651 139 HD13 ILE 18 2HD1 ILE 18 10.552 2.927 -4.683 140 H VAL 19 H VAL 19 6.592 -2.144 -2.984 141 HA VAL 19 HA VAL 19 4.099 -0.627 -2.684 142 HB VAL 19 HB VAL 19 4.628 -3.555 -1.933 143 HG11 VAL 19 1HG1 VAL 19 2.183 -3.824 -2.243 144 HG12 VAL 19 2HG1 VAL 19 2.031 -2.093 -2.559 145 HG13 VAL 19 3HG1 VAL 19 2.557 -2.658 -0.972 146 HG21 VAL 19 3HG2 VAL 19 3.722 -4.179 -4.148 147 HG22 VAL 19 1HG2 VAL 19 5.206 -3.238 -4.301 148 HG23 VAL 19 2HG2 VAL 19 3.644 -2.475 -4.607 149 H VAL 20 H VAL 20 3.092 -0.274 -0.670 150 HA VAL 20 HA VAL 20 4.607 -0.813 1.809 151 HB VAL 20 HB VAL 20 2.964 1.706 1.209 152 HG11 VAL 20 1HG1 VAL 20 2.665 1.017 3.557 153 HG12 VAL 20 2HG1 VAL 20 3.610 2.500 3.460 154 HG13 VAL 20 3HG1 VAL 20 4.416 0.963 3.789 155 HG21 VAL 20 3HG2 VAL 20 5.071 2.942 1.465 156 HG22 VAL 20 1HG2 VAL 20 5.197 1.757 0.166 157 HG23 VAL 20 2HG2 VAL 20 5.952 1.434 1.729 158 H ASP 21 H ASP 21 3.459 -2.028 3.191 159 HA ASP 21 HA ASP 21 0.599 -2.503 2.866 160 HB2 ASP 21 1HB ASP 21 2.326 -4.268 3.619 161 HB3 ASP 21 2HB ASP 21 2.473 -3.389 5.137 162 H VAL 22 H VAL 22 -0.569 -0.608 3.394 163 HA VAL 22 HA VAL 22 0.169 0.883 5.840 164 HB VAL 22 HB VAL 22 -1.562 2.595 5.081 165 HG11 VAL 22 1HG1 VAL 22 -0.092 3.591 3.344 166 HG12 VAL 22 2HG1 VAL 22 0.746 2.049 3.163 167 HG13 VAL 22 3HG1 VAL 22 0.845 2.932 4.686 168 HG21 VAL 22 3HG2 VAL 22 -1.571 0.968 2.491 169 HG22 VAL 22 1HG2 VAL 22 -2.318 2.556 2.714 170 HG23 VAL 22 2HG2 VAL 22 -2.935 1.157 3.603 171 H ARG 23 H ARG 23 -0.485 -0.678 7.279 172 HA ARG 23 HA ARG 23 -3.351 -0.725 7.855 173 HE ARG 23 HE ARG 23 -1.869 -4.814 5.227 174 HB2 ARG 23 1HB ARG 23 -1.773 -3.276 7.309 175 HB3 ARG 23 2HB ARG 23 -3.341 -3.237 8.100 176 HG2 ARG 23 1HG ARG 23 -4.288 -2.187 5.998 177 HG3 ARG 23 2HG ARG 23 -2.728 -2.472 5.222 178 HD2 ARG 23 1HD ARG 23 -4.537 -4.611 6.409 179 HD3 ARG 23 2HD ARG 23 -4.387 -4.233 4.692 180 HH11 ARG 23 1HH1 ARG 23 -4.670 -6.513 6.529 181 HH12 ARG 23 2HH1 ARG 23 -3.896 -8.065 6.446 182 HH21 ARG 23 1HH2 ARG 23 -0.890 -6.817 5.135 183 HH22 ARG 23 2HH2 ARG 23 -1.729 -8.235 5.686 184 H GLU 24 H GLU 24 -0.791 -2.919 9.065 185 HA GLU 24 HA GLU 24 -0.113 -1.537 11.421 186 HB2 GLU 24 1HB GLU 24 -2.765 -2.305 11.617 187 HB3 GLU 24 2HB GLU 24 -2.009 -3.729 12.298 188 HG2 GLU 24 1HG GLU 24 -1.617 -0.895 13.322 189 HG3 GLU 24 2HG GLU 24 -2.767 -2.047 13.985 190 H LEU 25 H LEU 25 1.097 -2.968 12.950 191 HA LEU 25 HA LEU 25 2.687 -4.983 11.900 192 HG LEU 25 HG LEU 25 2.777 -6.684 14.801 193 HB2 LEU 25 1HB LEU 25 3.321 -3.813 13.917 194 HB3 LEU 25 2HB LEU 25 1.882 -4.362 14.763 195 HD11 LEU 25 1HD1 LEU 25 5.257 -5.542 13.474 196 HD12 LEU 25 2HD1 LEU 25 4.115 -6.675 12.748 197 HD13 LEU 25 3HD1 LEU 25 5.091 -7.175 14.127 198 HD21 LEU 25 3HD2 LEU 25 4.587 -6.318 16.430 199 HD22 LEU 25 1HD2 LEU 25 3.261 -5.186 16.697 200 HD23 LEU 25 2HD2 LEU 25 4.742 -4.641 15.902 201 H ASP 26 H ASP 26 -0.370 -5.290 13.760 202 HA ASP 26 HA ASP 26 -0.444 -8.095 13.963 203 HB2 ASP 26 1HB ASP 26 -1.916 -6.597 15.291 204 HB3 ASP 26 2HB ASP 26 -2.804 -6.170 13.832 205 H GLU 27 H GLU 27 -1.800 -5.926 11.576 206 HA GLU 27 HA GLU 27 -3.088 -7.725 9.837 207 HB2 GLU 27 1HB GLU 27 -1.733 -5.058 9.241 208 HB3 GLU 27 2HB GLU 27 -2.930 -5.845 8.223 209 HG2 GLU 27 1HG GLU 27 -3.539 -4.974 11.054 210 HG3 GLU 27 2HG GLU 27 -3.707 -3.892 9.675 211 H TYR 28 H TYR 28 0.253 -6.603 10.043 212 HA TYR 28 HA TYR 28 1.317 -7.827 7.705 213 HD1 TYR 28 HD1 TYR 28 4.130 -8.637 10.869 214 HD2 TYR 28 HD2 TYR 28 4.251 -6.728 7.046 215 HE1 TYR 28 HE1 TYR 28 6.343 -9.618 10.446 216 HE2 TYR 28 HE2 TYR 28 6.454 -7.713 6.634 217 HH TYR 28 HH TYR 28 7.683 -10.247 8.319 218 HB2 TYR 28 1HB TYR 28 2.577 -6.047 8.719 219 HB3 TYR 28 2HB TYR 28 2.538 -6.801 10.300 220 H GLU 29 H GLU 29 0.989 -8.880 11.098 221 HA GLU 29 HA GLU 29 2.686 -11.122 11.054 222 HB2 GLU 29 1HB GLU 29 0.260 -10.667 12.842 223 HB3 GLU 29 2HB GLU 29 1.488 -11.887 13.104 224 HG2 GLU 29 1HG GLU 29 3.182 -10.122 13.429 225 HG3 GLU 29 2HG GLU 29 1.941 -8.898 13.185 226 H GLU 30 H GLU 30 -0.703 -10.780 10.297 227 HA GLU 30 HA GLU 30 -1.185 -13.606 10.004 228 HB2 GLU 30 1HB GLU 30 -3.435 -12.802 9.141 229 HB3 GLU 30 2HB GLU 30 -3.019 -12.376 10.791 230 HG2 GLU 30 1HG GLU 30 -2.475 -10.113 10.099 231 HG3 GLU 30 2HG GLU 30 -2.788 -10.525 8.416 232 H LEU 31 H LEU 31 -0.833 -10.873 7.663 233 HA LEU 31 HA LEU 31 0.478 -12.501 5.745 234 HG LEU 31 HG LEU 31 -3.547 -12.265 4.123 235 HB2 LEU 31 1HB LEU 31 -1.061 -12.569 3.892 236 HB3 LEU 31 2HB LEU 31 -1.780 -13.358 5.271 237 HD11 LEU 31 1HD1 LEU 31 -2.919 -10.486 6.475 238 HD12 LEU 31 2HD1 LEU 31 -3.803 -12.014 6.507 239 HD13 LEU 31 3HD1 LEU 31 -4.483 -10.623 5.662 240 HD21 LEU 31 3HD2 LEU 31 -2.211 -10.703 2.758 241 HD22 LEU 31 1HD2 LEU 31 -2.090 -9.620 4.144 242 HD23 LEU 31 2HD2 LEU 31 -3.666 -9.976 3.428 243 H HIS 32 H HIS 32 1.183 -11.319 3.812 244 HA HIS 32 HA HIS 32 0.297 -8.753 3.084 245 HD1 HIS 32 HD1 HIS 32 3.170 -10.651 5.244 246 HD2 HIS 32 HD2 HIS 32 4.794 -7.041 3.961 247 HE1 HIS 32 HE1 HIS 32 5.651 -10.954 5.276 248 HE2 HIS 32 HE2 HIS 32 6.605 -8.732 4.639 249 HB2 HIS 32 1HB HIS 32 2.098 -7.264 3.770 250 HB3 HIS 32 2HB HIS 32 1.571 -8.102 5.232 251 H LEU 33 H LEU 33 1.940 -7.707 1.454 252 HA LEU 33 HA LEU 33 3.011 -9.699 -0.359 253 HG LEU 33 HG LEU 33 0.865 -8.105 -1.038 254 HB2 LEU 33 1HB LEU 33 2.996 -6.666 -0.351 255 HB3 LEU 33 2HB LEU 33 3.778 -7.578 -1.624 256 HD11 LEU 33 1HD1 LEU 33 1.878 -5.787 -2.705 257 HD12 LEU 33 2HD1 LEU 33 0.979 -5.682 -1.187 258 HD13 LEU 33 3HD1 LEU 33 0.205 -6.350 -2.619 259 HD21 LEU 33 3HD2 LEU 33 0.779 -8.638 -3.432 260 HD22 LEU 33 1HD2 LEU 33 2.036 -9.581 -2.635 261 HD23 LEU 33 2HD2 LEU 33 2.474 -8.182 -3.620 262 HA PRO 34 HA PRO 34 7.230 -9.633 1.289 263 HB2 PRO 34 1HB PRO 34 8.609 -10.612 -0.873 264 HB3 PRO 34 2HB PRO 34 7.580 -11.624 0.147 265 HG2 PRO 34 1HG PRO 34 6.955 -10.369 -2.516 266 HG3 PRO 34 2HG PRO 34 6.593 -12.016 -1.938 267 HD2 PRO 34 1HD PRO 34 4.736 -10.014 -1.966 268 HD3 PRO 34 2HD PRO 34 4.715 -11.321 -0.765 269 H ASN 35 H ASN 35 6.155 -7.615 -1.230 270 HA ASN 35 HA ASN 35 8.634 -5.980 -1.236 271 HB2 ASN 35 1HB ASN 35 6.325 -5.976 -3.247 272 HB3 ASN 35 2HB ASN 35 7.786 -4.998 -3.357 273 HD21 ASN 35 2HD2 ASN 35 6.471 -8.222 -3.622 274 HD22 ASN 35 1HD2 ASN 35 7.811 -8.918 -4.459 275 H ALA 36 H ALA 36 6.024 -6.168 0.578 276 HA ALA 36 HA ALA 36 5.121 -3.364 0.412 277 HB1 ALA 36 3HB ALA 36 3.229 -4.054 1.824 278 HB2 ALA 36 1HB ALA 36 3.889 -5.690 1.923 279 HB3 ALA 36 2HB ALA 36 3.339 -5.052 0.374 280 H THR 37 H THR 37 5.954 -1.950 1.775 281 HA THR 37 HA THR 37 7.672 -2.640 3.969 282 HB THR 37 HB THR 37 6.572 0.096 3.144 283 HG1 THR 37 HG1 THR 37 7.762 -1.081 1.483 284 HG21 THR 37 3HG2 THR 37 9.066 -0.611 4.756 285 HG22 THR 37 1HG2 THR 37 7.588 0.103 5.412 286 HG23 THR 37 2HG2 THR 37 8.573 1.011 4.269 287 H LEU 38 H LEU 38 7.098 -2.840 6.093 288 HA LEU 38 HA LEU 38 4.351 -2.722 6.926 289 HG LEU 38 HG LEU 38 4.258 -4.698 8.868 290 HB2 LEU 38 1HB LEU 38 6.357 -4.214 7.826 291 HB3 LEU 38 2HB LEU 38 6.677 -2.855 8.881 292 HD11 LEU 38 1HD1 LEU 38 6.241 -4.001 11.053 293 HD12 LEU 38 2HD1 LEU 38 6.206 -5.492 10.107 294 HD13 LEU 38 3HD1 LEU 38 4.880 -5.117 11.204 295 HD21 LEU 38 3HD2 LEU 38 3.334 -2.427 9.143 296 HD22 LEU 38 1HD2 LEU 38 4.450 -2.133 10.481 297 HD23 LEU 38 2HD2 LEU 38 3.193 -3.362 10.632 298 H ILE 39 H ILE 39 3.557 -0.664 6.779 299 HA ILE 39 HA ILE 39 4.372 1.176 8.945 300 HB ILE 39 HB ILE 39 3.581 2.117 6.132 301 HG12 ILE 39 1HG1 ILE 39 6.258 2.438 7.581 302 HG13 ILE 39 2HG1 ILE 39 5.947 1.300 6.282 303 HG21 ILE 39 1HG2 ILE 39 2.668 3.602 7.883 304 HG22 ILE 39 2HG2 ILE 39 3.950 4.416 6.992 305 HG23 ILE 39 3HG2 ILE 39 4.272 3.773 8.603 306 HD11 ILE 39 3HD1 ILE 39 7.150 3.211 5.459 307 HD12 ILE 39 1HD1 ILE 39 5.911 4.301 6.077 308 HD13 ILE 39 2HD1 ILE 39 5.531 3.192 4.759 309 H SER 40 H SER 40 2.628 1.750 10.155 310 HA SER 40 HA SER 40 -0.038 0.828 9.391 311 HG SER 40 HG SER 40 -1.518 0.879 11.618 312 HB2 SER 40 1HB SER 40 0.636 0.608 11.756 313 HB3 SER 40 2HB SER 40 0.870 2.354 11.873 314 H VAL 41 H VAL 41 -1.684 2.136 8.693 315 HA VAL 41 HA VAL 41 -1.305 4.525 7.372 316 HB VAL 41 HB VAL 41 -3.282 3.109 7.011 317 HG11 VAL 41 1HG1 VAL 41 -5.179 3.059 8.593 318 HG12 VAL 41 2HG1 VAL 41 -4.259 4.031 9.742 319 HG13 VAL 41 3HG1 VAL 41 -3.714 2.405 9.326 320 HG21 VAL 41 3HG2 VAL 41 -4.986 4.852 6.735 321 HG22 VAL 41 1HG2 VAL 41 -3.401 5.516 6.351 322 HG23 VAL 41 2HG2 VAL 41 -4.162 5.894 7.893 323 H ASN 42 H ASN 42 -1.866 4.062 10.818 324 HA ASN 42 HA ASN 42 -2.628 6.723 11.521 325 HB2 ASN 42 1HB ASN 42 -1.296 4.613 13.276 326 HB3 ASN 42 2HB ASN 42 -2.099 6.070 13.858 327 HD21 ASN 42 2HD2 ASN 42 -2.541 2.863 12.636 328 HD22 ASN 42 1HD2 ASN 42 -4.249 2.778 12.889 329 H ASP 43 H ASP 43 0.467 5.140 11.042 330 HA ASP 43 HA ASP 43 2.059 7.216 12.285 331 HB2 ASP 43 1HB ASP 43 2.907 4.828 10.580 332 HB3 ASP 43 2HB ASP 43 4.016 5.905 11.421 333 H GLN 44 H GLN 44 1.149 8.999 11.027 334 HA GLN 44 HA GLN 44 1.614 9.401 8.269 335 HB2 GLN 44 1HB GLN 44 1.262 11.340 10.583 336 HB3 GLN 44 2HB GLN 44 1.712 11.946 8.994 337 HG2 GLN 44 1HG GLN 44 -0.638 12.212 9.191 338 HG3 GLN 44 2HG GLN 44 -0.363 10.889 8.065 339 HE21 GLN 44 2HE2 GLN 44 -1.023 8.818 8.640 340 HE22 GLN 44 1HE2 GLN 44 -2.028 8.515 10.003 341 H GLU 45 H GLU 45 3.625 9.945 11.122 342 HA GLU 45 HA GLU 45 5.653 11.427 9.818 343 HB2 GLU 45 1HB GLU 45 6.995 10.958 11.941 344 HB3 GLU 45 2HB GLU 45 5.472 11.805 12.125 345 HG2 GLU 45 1HG GLU 45 5.576 10.292 13.930 346 HG3 GLU 45 2HG GLU 45 4.430 9.600 12.786 347 H LYS 46 H LYS 46 5.294 7.959 10.392 348 HA LYS 46 HA LYS 46 7.931 7.261 9.442 349 HB2 LYS 46 1HB LYS 46 6.798 5.831 11.085 350 HB3 LYS 46 2HB LYS 46 5.469 5.554 9.972 351 HG2 LYS 46 1HG LYS 46 6.796 3.574 10.021 352 HG3 LYS 46 2HG LYS 46 7.052 4.329 8.458 353 HD2 LYS 46 1HD LYS 46 9.029 4.825 10.699 354 HD3 LYS 46 2HD LYS 46 9.087 3.308 9.809 355 HE2 LYS 46 1HE LYS 46 9.345 4.614 7.691 356 HE3 LYS 46 2HE LYS 46 9.420 6.095 8.646 357 HZ1 LYS 46 3HZ LYS 46 11.376 5.065 9.805 358 HZ2 LYS 46 1HZ LYS 46 11.626 5.444 8.175 359 HZ3 LYS 46 2HZ LYS 46 11.351 3.840 8.640 360 H LEU 47 H LEU 47 4.651 7.272 8.088 361 HA LEU 47 HA LEU 47 5.245 5.931 5.666 362 HG LEU 47 HG LEU 47 3.081 7.420 3.829 363 HB2 LEU 47 1HB LEU 47 2.974 6.224 6.631 364 HB3 LEU 47 2HB LEU 47 3.045 7.932 6.250 365 HD11 LEU 47 1HD1 LEU 47 4.246 5.268 3.829 366 HD12 LEU 47 2HD1 LEU 47 2.696 5.114 3.006 367 HD13 LEU 47 3HD1 LEU 47 2.885 4.497 4.649 368 HD21 LEU 47 3HD2 LEU 47 0.928 7.762 4.942 369 HD22 LEU 47 1HD2 LEU 47 0.824 6.039 5.319 370 HD23 LEU 47 2HD2 LEU 47 0.773 6.587 3.642 371 H ALA 48 H ALA 48 4.987 9.354 6.472 372 HA ALA 48 HA ALA 48 5.684 10.407 3.922 373 HB1 ALA 48 3HB ALA 48 5.809 12.550 5.106 374 HB2 ALA 48 1HB ALA 48 5.768 11.709 6.659 375 HB3 ALA 48 2HB ALA 48 4.370 11.646 5.586 376 H ASP 49 H ASP 49 7.565 9.496 6.809 377 HA ASP 49 HA ASP 49 10.077 10.576 6.080 378 HB2 ASP 49 1HB ASP 49 9.708 9.714 8.332 379 HB3 ASP 49 2HB ASP 49 9.380 8.099 7.712 380 H PHE 50 H PHE 50 8.605 7.403 5.427 381 HA PHE 50 HA PHE 50 10.692 6.175 4.008 382 HD1 PHE 50 HD1 PHE 50 10.577 3.409 3.956 383 HD2 PHE 50 HD2 PHE 50 7.378 4.847 1.496 384 HE1 PHE 50 HE1 PHE 50 11.013 1.618 2.326 385 HE2 PHE 50 HE2 PHE 50 7.822 3.046 -0.120 386 HZ PHE 50 HZ PHE 50 9.637 1.435 0.292 387 HB2 PHE 50 1HB PHE 50 8.710 4.947 4.861 388 HB3 PHE 50 2HB PHE 50 7.680 5.773 3.698 389 H LEU 51 H LEU 51 8.046 8.247 2.929 390 HA LEU 51 HA LEU 51 8.677 8.183 0.148 391 HG LEU 51 HG LEU 51 5.974 8.008 1.843 392 HB2 LEU 51 1HB LEU 51 7.067 10.217 1.731 393 HB3 LEU 51 2HB LEU 51 7.125 10.118 -0.023 394 HD11 LEU 51 1HD1 LEU 51 4.577 9.840 -0.118 395 HD12 LEU 51 2HD1 LEU 51 4.541 9.976 1.641 396 HD13 LEU 51 3HD1 LEU 51 3.813 8.578 0.853 397 HD21 LEU 51 3HD2 LEU 51 5.230 6.817 -0.188 398 HD22 LEU 51 1HD2 LEU 51 6.988 6.897 -0.087 399 HD23 LEU 51 2HD2 LEU 51 6.118 7.967 -1.190 400 H SER 52 H SER 52 9.660 10.232 2.837 401 HA SER 52 HA SER 52 10.748 12.382 1.316 402 HG SER 52 HG SER 52 11.357 14.158 4.090 403 HB2 SER 52 1HB SER 52 9.951 12.615 3.671 404 HB3 SER 52 2HB SER 52 11.310 11.640 4.217 405 H GLN 53 H GLN 53 11.996 9.295 2.305 406 HA GLN 53 HA GLN 53 14.728 9.667 2.532 407 HB2 GLN 53 1HB GLN 53 13.266 7.279 1.328 408 HB3 GLN 53 2HB GLN 53 14.966 7.265 1.787 409 HG2 GLN 53 1HG GLN 53 12.601 7.614 3.647 410 HG3 GLN 53 2HG GLN 53 13.614 6.182 3.492 411 HE21 GLN 53 2HE2 GLN 53 13.033 7.970 5.799 412 HE22 GLN 53 1HE2 GLN 53 14.570 8.474 6.396 413 H HIS 54 H HIS 54 12.852 9.281 -0.444 414 HA HIS 54 HA HIS 54 15.161 10.144 -2.074 415 HD1 HIS 54 HD1 HIS 54 16.654 8.832 -1.457 416 HD2 HIS 54 HD2 HIS 54 15.037 5.510 -3.363 417 HE1 HIS 54 HE1 HIS 54 18.343 7.006 -1.184 418 HE2 HIS 54 HE2 HIS 54 17.297 4.976 -2.252 419 HB2 HIS 54 1HB HIS 54 13.334 7.770 -2.589 420 HB3 HIS 54 2HB HIS 54 14.215 8.527 -3.915 421 H LYS 55 H LYS 55 11.670 9.748 -1.877 422 HA LYS 55 HA LYS 55 9.865 10.748 -2.693 423 HB2 LYS 55 1HB LYS 55 11.748 13.032 -3.353 424 HB3 LYS 55 2HB LYS 55 10.004 13.121 -3.587 425 HG2 LYS 55 1HG LYS 55 9.692 12.683 -1.147 426 HG3 LYS 55 2HG LYS 55 11.445 12.700 -0.947 427 HD2 LYS 55 1HD LYS 55 10.484 14.851 -0.286 428 HD3 LYS 55 2HD LYS 55 11.509 15.056 -1.709 429 HE2 LYS 55 1HE LYS 55 9.475 15.060 -3.136 430 HE3 LYS 55 2HE LYS 55 8.477 14.897 -1.689 431 HZ1 LYS 55 3HZ LYS 55 10.268 17.171 -2.342 432 HZ2 LYS 55 1HZ LYS 55 9.378 17.016 -0.910 433 HZ3 LYS 55 2HZ LYS 55 8.576 17.179 -2.390 434 H ASP 56 H ASP 56 12.544 11.177 -5.022 435 HA ASP 56 HA ASP 56 10.927 10.537 -7.314 436 HB2 ASP 56 1HB ASP 56 12.913 12.052 -7.463 437 HB3 ASP 56 2HB ASP 56 13.963 10.712 -7.016 438 H LYS 57 H LYS 57 10.115 8.599 -6.143 439 HA LYS 57 HA LYS 57 11.155 6.291 -7.488 440 HB2 LYS 57 1HB LYS 57 11.496 4.808 -5.660 441 HB3 LYS 57 2HB LYS 57 12.367 6.265 -5.225 442 HG2 LYS 57 1HG LYS 57 9.618 5.541 -4.167 443 HG3 LYS 57 2HG LYS 57 11.132 5.183 -3.341 444 HD2 LYS 57 1HD LYS 57 11.618 7.560 -3.104 445 HD3 LYS 57 2HD LYS 57 10.195 7.981 -4.059 446 HE2 LYS 57 1HE LYS 57 9.862 8.245 -1.601 447 HE3 LYS 57 2HE LYS 57 8.714 7.140 -2.355 448 HZ1 LYS 57 3HZ LYS 57 9.994 5.277 -1.525 449 HZ2 LYS 57 1HZ LYS 57 9.566 6.300 -0.247 450 HZ3 LYS 57 2HZ LYS 57 11.141 6.319 -0.850 451 H LYS 58 H LYS 58 9.500 4.543 -7.508 452 HA LYS 58 HA LYS 58 6.786 5.684 -7.475 453 HB2 LYS 58 1HB LYS 58 7.869 4.546 -9.490 454 HB3 LYS 58 2HB LYS 58 7.656 3.022 -8.629 455 HG2 LYS 58 1HG LYS 58 5.328 3.080 -8.812 456 HG3 LYS 58 2HG LYS 58 5.279 4.832 -9.062 457 HD2 LYS 58 1HD LYS 58 4.789 3.527 -11.138 458 HD3 LYS 58 2HD LYS 58 6.177 4.608 -11.290 459 HE2 LYS 58 1HE LYS 58 7.709 2.698 -10.951 460 HE3 LYS 58 2HE LYS 58 6.327 1.615 -10.773 461 HZ1 LYS 58 3HZ LYS 58 7.342 1.557 -12.988 462 HZ2 LYS 58 1HZ LYS 58 6.932 3.182 -13.219 463 HZ3 LYS 58 2HZ LYS 58 5.721 2.017 -13.033 464 H VAL 59 H VAL 59 5.498 5.262 -5.740 465 HA VAL 59 HA VAL 59 5.906 2.752 -4.202 466 HB VAL 59 HB VAL 59 5.312 5.518 -3.046 467 HG11 VAL 59 1HG1 VAL 59 5.619 2.864 -1.592 468 HG12 VAL 59 2HG1 VAL 59 4.124 3.780 -1.778 469 HG13 VAL 59 3HG1 VAL 59 5.446 4.447 -0.822 470 HG21 VAL 59 3HG2 VAL 59 7.515 5.279 -1.931 471 HG22 VAL 59 1HG2 VAL 59 7.670 5.241 -3.687 472 HG23 VAL 59 2HG2 VAL 59 7.771 3.742 -2.764 473 H LEU 60 H LEU 60 4.137 1.649 -3.542 474 HA LEU 60 HA LEU 60 1.446 2.637 -4.334 475 HG LEU 60 HG LEU 60 -0.001 -0.029 -4.102 476 HB2 LEU 60 1HB LEU 60 2.329 0.865 -5.851 477 HB3 LEU 60 2HB LEU 60 2.528 -0.206 -4.473 478 HD11 LEU 60 1HD1 LEU 60 -1.367 0.694 -6.022 479 HD12 LEU 60 2HD1 LEU 60 0.094 1.250 -6.840 480 HD13 LEU 60 3HD1 LEU 60 -0.422 2.017 -5.340 481 HD21 LEU 60 3HD2 LEU 60 0.862 -1.251 -6.736 482 HD22 LEU 60 1HD2 LEU 60 -0.562 -1.679 -5.791 483 HD23 LEU 60 2HD2 LEU 60 1.047 -2.005 -5.153 484 H LEU 61 H LEU 61 0.488 3.124 -2.403 485 HA LEU 61 HA LEU 61 0.910 1.600 0.038 486 HG LEU 61 HG LEU 61 1.426 3.864 1.370 487 HB2 LEU 61 1HB LEU 61 -0.838 3.993 -0.675 488 HB3 LEU 61 2HB LEU 61 -0.916 3.225 0.900 489 HD11 LEU 61 1HD1 LEU 61 2.672 5.391 -0.110 490 HD12 LEU 61 2HD1 LEU 61 1.420 5.213 -1.344 491 HD13 LEU 61 3HD1 LEU 61 2.393 3.823 -0.863 492 HD21 LEU 61 3HD2 LEU 61 1.101 6.291 1.572 493 HD22 LEU 61 1HD2 LEU 61 -0.369 5.419 1.998 494 HD23 LEU 61 2HD2 LEU 61 -0.247 6.222 0.432 495 H HIS 62 H HIS 62 0.011 -0.475 -0.172 496 HA HIS 62 HA HIS 62 -2.712 -0.762 -1.251 497 HD1 HIS 62 HD1 HIS 62 -2.597 -4.766 0.120 498 HD2 HIS 62 HD2 HIS 62 1.135 -2.973 0.319 499 HE1 HIS 62 HE1 HIS 62 -1.267 -6.154 1.731 500 HE2 HIS 62 HE2 HIS 62 0.857 -4.869 2.041 501 HB2 HIS 62 1HB HIS 62 -2.269 -3.016 -1.672 502 HB3 HIS 62 2HB HIS 62 -0.666 -2.320 -1.861 503 H CYS 63 H CYS 63 -4.456 -1.442 -0.089 504 HA CYS 63 HA CYS 63 -4.158 -1.834 2.860 505 HG CYS 63 HG CYS 63 -6.188 -0.721 4.759 506 HB2 CYS 63 1HB CYS 63 -5.210 0.332 2.418 507 HB3 CYS 63 2HB CYS 63 -6.396 -0.421 1.356 508 H ARG 64 H ARG 64 -5.751 -3.197 3.865 509 HA ARG 64 HA ARG 64 -6.318 -5.691 2.900 510 HE ARG 64 HE ARG 64 -7.232 -6.324 7.132 511 HB2 ARG 64 1HB ARG 64 -6.663 -4.973 5.271 512 HB3 ARG 64 2HB ARG 64 -8.066 -4.050 4.780 513 HG2 ARG 64 1HG ARG 64 -9.176 -5.912 5.521 514 HG3 ARG 64 2HG ARG 64 -8.873 -6.461 3.879 515 HD2 ARG 64 1HD ARG 64 -8.305 -8.264 5.261 516 HD3 ARG 64 2HD ARG 64 -6.764 -7.551 4.783 517 HH11 ARG 64 1HH1 ARG 64 -7.392 -9.700 6.237 518 HH12 ARG 64 2HH1 ARG 64 -6.921 -10.267 7.801 519 HH21 ARG 64 1HH2 ARG 64 -6.680 -7.111 9.198 520 HH22 ARG 64 2HH2 ARG 64 -6.520 -8.821 9.459 521 H ALA 65 H ALA 65 -8.445 -2.859 2.718 522 HA ALA 65 HA ALA 65 -10.173 -4.188 0.698 523 HB1 ALA 65 3HB ALA 65 -11.343 -3.689 2.810 524 HB2 ALA 65 1HB ALA 65 -11.978 -2.700 1.494 525 HB3 ALA 65 2HB ALA 65 -10.885 -1.989 2.682 526 H GLY 66 H GLY 66 -8.934 -0.976 1.714 527 HA2 GLY 66 1HA GLY 66 -7.614 0.024 -0.322 528 HA3 GLY 66 2HA GLY 66 -9.220 0.067 -1.033 529 H ARG 67 H ARG 67 -10.019 0.587 1.995 530 HA ARG 67 HA ARG 67 -10.547 3.313 1.797 531 HE ARG 67 HE ARG 67 -11.297 5.092 2.138 532 HB2 ARG 67 1HB ARG 67 -11.807 1.873 3.309 533 HB3 ARG 67 2HB ARG 67 -10.366 1.538 4.253 534 HG2 ARG 67 1HG ARG 67 -11.744 3.065 5.503 535 HG3 ARG 67 2HG ARG 67 -10.309 3.933 4.970 536 HD2 ARG 67 1HD ARG 67 -12.947 4.090 3.481 537 HD3 ARG 67 2HD ARG 67 -12.553 5.183 4.805 538 HH11 ARG 67 1HH1 ARG 67 -11.516 6.706 5.256 539 HH12 ARG 67 2HH1 ARG 67 -10.671 8.119 4.712 540 HH21 ARG 67 1HH2 ARG 67 -10.166 6.949 1.473 541 HH22 ARG 67 2HH2 ARG 67 -9.921 8.263 2.578 542 H ARG 68 H ARG 68 -8.017 1.693 3.734 543 HA ARG 68 HA ARG 68 -6.834 4.185 4.590 544 HE ARG 68 HE ARG 68 -8.710 2.700 8.476 545 HB2 ARG 68 1HB ARG 68 -5.905 1.310 4.946 546 HB3 ARG 68 2HB ARG 68 -5.157 2.713 5.714 547 HG2 ARG 68 1HG ARG 68 -7.972 1.713 6.133 548 HG3 ARG 68 2HG ARG 68 -6.642 1.646 7.271 549 HD2 ARG 68 1HD ARG 68 -6.584 4.179 7.247 550 HD3 ARG 68 2HD ARG 68 -8.042 4.148 6.262 551 HH11 ARG 68 1HH1 ARG 68 -7.430 5.970 8.024 552 HH12 ARG 68 2HH1 ARG 68 -8.243 6.593 9.425 553 HH21 ARG 68 1HH2 ARG 68 -9.760 3.568 10.304 554 HH22 ARG 68 2HH2 ARG 68 -9.546 5.241 10.711 555 H ALA 69 H ALA 69 -6.353 2.045 1.964 556 HA ALA 69 HA ALA 69 -3.787 2.793 1.067 557 HB1 ALA 69 3HB ALA 69 -5.083 0.986 0.007 558 HB2 ALA 69 1HB ALA 69 -4.589 2.182 -1.194 559 HB3 ALA 69 2HB ALA 69 -6.254 2.158 -0.600 560 H LEU 70 H LEU 70 -6.959 4.100 0.170 561 HA LEU 70 HA LEU 70 -6.151 6.444 -1.120 562 HG LEU 70 HG LEU 70 -8.718 8.215 0.062 563 HB2 LEU 70 1HB LEU 70 -8.401 5.530 -1.350 564 HB3 LEU 70 2HB LEU 70 -8.717 5.754 0.363 565 HD11 LEU 70 1HD1 LEU 70 -8.675 9.235 -2.177 566 HD12 LEU 70 2HD1 LEU 70 -8.284 7.667 -2.889 567 HD13 LEU 70 3HD1 LEU 70 -7.146 8.449 -1.789 568 HD21 LEU 70 3HD2 LEU 70 -10.849 7.004 -0.162 569 HD22 LEU 70 1HD2 LEU 70 -10.569 6.806 -1.894 570 HD23 LEU 70 2HD2 LEU 70 -10.812 8.416 -1.211 571 H ASP 71 H ASP 71 -7.311 6.018 2.220 572 HA ASP 71 HA ASP 71 -7.298 8.614 3.141 573 HB2 ASP 71 1HB ASP 71 -8.364 6.721 4.297 574 HB3 ASP 71 2HB ASP 71 -6.792 6.034 4.677 575 H ALA 72 H ALA 72 -4.672 6.241 3.487 576 HA ALA 72 HA ALA 72 -2.805 7.862 4.854 577 HB1 ALA 72 3HB ALA 72 -2.283 5.511 3.001 578 HB2 ALA 72 1HB ALA 72 -2.666 5.401 4.719 579 HB3 ALA 72 2HB ALA 72 -1.171 6.163 4.203 580 H ALA 73 H ALA 73 -3.127 7.077 1.370 581 HA ALA 73 HA ALA 73 -0.955 8.650 0.465 582 HB1 ALA 73 3HB ALA 73 -1.892 8.321 -1.777 583 HB2 ALA 73 1HB ALA 73 -3.403 7.741 -1.077 584 HB3 ALA 73 2HB ALA 73 -1.916 6.814 -0.858 585 H LYS 74 H LYS 74 -4.293 9.498 1.235 586 HA LYS 74 HA LYS 74 -4.474 11.958 -0.174 587 HB2 LYS 74 1HB LYS 74 -5.887 11.180 2.415 588 HB3 LYS 74 2HB LYS 74 -6.274 12.584 1.425 589 HG2 LYS 74 1HG LYS 74 -6.653 10.785 -0.473 590 HG3 LYS 74 2HG LYS 74 -6.798 9.678 0.888 591 HD2 LYS 74 1HD LYS 74 -9.019 10.344 0.391 592 HD3 LYS 74 2HD LYS 74 -8.578 11.275 1.823 593 HE2 LYS 74 1HE LYS 74 -8.030 13.211 0.329 594 HE3 LYS 74 2HE LYS 74 -8.596 12.259 -1.052 595 HZ1 LYS 74 3HZ LYS 74 -10.268 13.805 -0.202 596 HZ2 LYS 74 1HZ LYS 74 -10.260 13.015 1.290 597 HZ3 LYS 74 2HZ LYS 74 -10.787 12.199 -0.093 598 H SER 75 H SER 75 -3.710 11.275 3.238 599 HA SER 75 HA SER 75 -3.083 13.838 4.100 600 HG SER 75 HG SER 75 -3.824 10.804 5.441 601 HB2 SER 75 1HB SER 75 -1.787 11.235 5.042 602 HB3 SER 75 2HB SER 75 -1.906 12.740 5.963 603 H MET 76 H MET 76 -1.017 11.479 2.432 604 HA MET 76 HA MET 76 1.417 13.003 2.688 605 HB2 MET 76 1HB MET 76 0.659 10.491 1.181 606 HB3 MET 76 2HB MET 76 2.244 11.239 0.960 607 HG2 MET 76 1HG MET 76 2.209 9.405 2.660 608 HG3 MET 76 2HG MET 76 2.801 10.953 3.272 609 HE1 MET 76 3HE MET 76 1.076 10.352 6.565 610 HE2 MET 76 1HE MET 76 2.308 11.274 5.706 611 HE3 MET 76 2HE MET 76 2.353 9.510 5.690 612 H HIS 77 H HIS 77 -1.000 12.692 0.097 613 HA HIS 77 HA HIS 77 0.358 14.258 -1.831 614 HD1 HIS 77 HD1 HIS 77 -1.674 14.066 -4.900 615 HD2 HIS 77 HD2 HIS 77 -1.090 10.965 -2.183 616 HE1 HIS 77 HE1 HIS 77 -1.209 12.018 -6.278 617 HE2 HIS 77 HE2 HIS 77 -0.974 10.148 -4.622 618 HB2 HIS 77 1HB HIS 77 -2.531 13.502 -1.431 619 HB3 HIS 77 2HB HIS 77 -2.162 14.792 -2.565 620 H GLU 78 H GLU 78 -1.669 15.113 0.913 621 HA GLU 78 HA GLU 78 -1.873 17.911 0.429 622 HB2 GLU 78 1HB GLU 78 -2.076 16.418 3.079 623 HB3 GLU 78 2HB GLU 78 -2.695 18.036 2.751 624 HG2 GLU 78 1HG GLU 78 -3.643 15.498 1.407 625 HG3 GLU 78 2HG GLU 78 -4.460 16.274 2.739 626 H LEU 79 H LEU 79 0.524 15.882 2.000 627 HA LEU 79 HA LEU 79 2.066 17.967 3.213 628 HG LEU 79 HG LEU 79 1.172 15.109 4.139 629 HB2 LEU 79 1HB LEU 79 2.891 15.159 2.378 630 HB3 LEU 79 2HB LEU 79 3.874 16.236 3.364 631 HD11 LEU 79 1HD1 LEU 79 2.370 13.782 5.805 632 HD12 LEU 79 2HD1 LEU 79 3.910 14.391 5.193 633 HD13 LEU 79 3HD1 LEU 79 2.885 13.383 4.168 634 HD21 LEU 79 3HD2 LEU 79 1.590 16.071 6.377 635 HD22 LEU 79 1HD2 LEU 79 1.460 17.317 5.139 636 HD23 LEU 79 2HD2 LEU 79 3.046 16.857 5.764 637 H GLY 80 H GLY 80 1.903 16.635 -0.008 638 HA2 GLY 80 1HA GLY 80 2.722 18.233 -1.749 639 HA3 GLY 80 2HA GLY 80 4.246 18.258 -0.878 640 H TYR 81 H TYR 81 3.554 15.173 -0.424 641 HA TYR 81 HA TYR 81 5.141 14.190 -2.641 642 HD1 TYR 81 HD1 TYR 81 7.218 13.081 -1.124 643 HD2 TYR 81 HD2 TYR 81 3.873 13.207 1.552 644 HE1 TYR 81 HE1 TYR 81 8.726 13.514 0.760 645 HE2 TYR 81 HE2 TYR 81 5.397 13.651 3.427 646 HH TYR 81 HH TYR 81 7.790 13.303 4.003 647 HB2 TYR 81 1HB TYR 81 3.509 12.518 -0.676 648 HB3 TYR 81 2HB TYR 81 4.865 11.974 -1.658 649 H THR 82 H THR 82 4.270 12.260 -3.991 650 HA THR 82 HA THR 82 1.354 12.266 -4.419 651 HB THR 82 HB THR 82 1.818 12.123 -6.989 652 HG1 THR 82 HG1 THR 82 4.150 13.604 -6.351 653 HG21 THR 82 3HG2 THR 82 0.687 14.083 -6.000 654 HG22 THR 82 1HG2 THR 82 1.770 14.566 -7.308 655 HG23 THR 82 2HG2 THR 82 2.254 14.806 -5.628 656 HA PRO 83 HA PRO 83 3.156 7.901 -4.477 657 HB2 PRO 83 1HB PRO 83 1.933 6.906 -2.256 658 HB3 PRO 83 2HB PRO 83 3.468 7.780 -2.158 659 HG2 PRO 83 1HG PRO 83 0.670 8.802 -1.654 660 HG3 PRO 83 2HG PRO 83 2.140 9.038 -0.683 661 HD2 PRO 83 1HD PRO 83 1.230 10.926 -2.419 662 HD3 PRO 83 2HD PRO 83 2.958 10.701 -2.078 663 H TYR 84 H TYR 84 2.021 6.127 -5.260 664 HA TYR 84 HA TYR 84 -0.808 6.386 -5.965 665 HD1 TYR 84 HD1 TYR 84 -1.017 5.760 -8.935 666 HD2 TYR 84 HD2 TYR 84 2.987 5.495 -7.452 667 HE1 TYR 84 HE1 TYR 84 -0.206 6.985 -10.900 668 HE2 TYR 84 HE2 TYR 84 3.795 6.714 -9.433 669 HH TYR 84 HH TYR 84 1.739 8.390 -11.523 670 HB2 TYR 84 1HB TYR 84 1.196 4.123 -6.463 671 HB3 TYR 84 2HB TYR 84 -0.442 4.175 -7.108 672 H TYR 85 H TYR 85 -2.103 4.235 -5.598 673 HA TYR 85 HA TYR 85 -1.565 2.834 -3.130 674 HD1 TYR 85 HD2 TYR 85 -2.822 6.686 -3.900 675 HD2 TYR 85 HD1 TYR 85 -5.855 3.819 -2.971 676 HE1 TYR 85 HE2 TYR 85 -4.514 8.133 -4.924 677 HE2 TYR 85 HE1 TYR 85 -7.536 5.274 -4.002 678 HH TYR 85 HH TYR 85 -6.763 7.831 -5.989 679 HB2 TYR 85 1HB TYR 85 -3.644 3.602 -1.982 680 HB3 TYR 85 2HB TYR 85 -2.455 4.877 -2.173 681 H LEU 86 H LEU 86 -2.820 1.000 -2.888 682 HA LEU 86 HA LEU 86 -4.304 0.168 -5.298 683 HG LEU 86 HG LEU 86 -2.844 -3.309 -5.053 684 HB2 LEU 86 1HB LEU 86 -2.212 -1.063 -4.761 685 HB3 LEU 86 2HB LEU 86 -2.871 -1.525 -3.210 686 HD11 LEU 86 1HD1 LEU 86 -4.199 -3.634 -3.040 687 HD12 LEU 86 2HD1 LEU 86 -4.957 -4.340 -4.463 688 HD13 LEU 86 3HD1 LEU 86 -5.558 -2.812 -3.815 689 HD21 LEU 86 3HD2 LEU 86 -5.164 -1.727 -6.173 690 HD22 LEU 86 1HD2 LEU 86 -4.614 -3.312 -6.722 691 HD23 LEU 86 2HD2 LEU 86 -3.574 -1.905 -6.917 692 H GLU 87 H GLU 87 -6.376 0.294 -5.048 693 HA GLU 87 HA GLU 87 -7.725 -0.472 -2.542 694 HB2 GLU 87 1HB GLU 87 -8.824 0.803 -5.088 695 HB3 GLU 87 2HB GLU 87 -9.770 0.431 -3.648 696 HG2 GLU 87 1HG GLU 87 -8.279 1.999 -2.352 697 HG3 GLU 87 2HG GLU 87 -7.515 2.449 -3.872 698 H GLY 88 H GLY 88 -7.814 -2.625 -2.439 699 HA2 GLY 88 1HA GLY 88 -9.387 -4.226 -4.151 700 HA3 GLY 88 2HA GLY 88 -7.687 -4.482 -4.536 701 H ASN 89 H ASN 89 -9.389 -6.479 -3.540 702 HA ASN 89 HA ASN 89 -9.208 -6.877 -0.727 703 HB2 ASN 89 1HB ASN 89 -9.800 -8.744 -3.057 704 HB3 ASN 89 2HB ASN 89 -9.713 -9.345 -1.407 705 HD21 ASN 89 2HD2 ASN 89 -11.354 -8.851 0.031 706 HD22 ASN 89 1HD2 ASN 89 -12.852 -8.155 -0.462 707 H VAL 90 H VAL 90 -7.459 -7.423 0.444 708 HA VAL 90 HA VAL 90 -4.909 -7.643 -0.761 709 HB VAL 90 HB VAL 90 -5.294 -6.568 1.453 710 HG11 VAL 90 1HG1 VAL 90 -6.839 -8.167 2.448 711 HG12 VAL 90 2HG1 VAL 90 -5.440 -7.932 3.495 712 HG13 VAL 90 3HG1 VAL 90 -5.570 -9.393 2.512 713 HG21 VAL 90 3HG2 VAL 90 -3.217 -7.401 2.561 714 HG22 VAL 90 1HG2 VAL 90 -3.004 -7.135 0.826 715 HG23 VAL 90 2HG2 VAL 90 -3.199 -8.772 1.450 716 H TYR 91 H TYR 91 -7.059 -10.099 0.623 717 HA TYR 91 HA TYR 91 -5.233 -12.292 0.565 718 HD1 TYR 91 HD1 TYR 91 -7.877 -10.443 2.401 719 HD2 TYR 91 HD2 TYR 91 -6.692 -14.528 2.738 720 HE1 TYR 91 HE1 TYR 91 -7.761 -10.179 4.828 721 HE2 TYR 91 HE2 TYR 91 -6.588 -14.293 5.179 722 HH TYR 91 HH TYR 91 -6.283 -12.535 6.839 723 HB2 TYR 91 1HB TYR 91 -8.285 -12.204 0.513 724 HB3 TYR 91 2HB TYR 91 -7.368 -13.707 0.613 725 H ASP 92 H ASP 92 -7.262 -10.766 -1.815 726 HA ASP 92 HA ASP 92 -7.370 -12.958 -3.672 727 HB2 ASP 92 1HB ASP 92 -8.294 -10.074 -3.811 728 HB3 ASP 92 2HB ASP 92 -8.414 -11.147 -5.201 729 H PHE 93 H PHE 93 -4.913 -10.723 -2.996 730 HA PHE 93 HA PHE 93 -3.797 -10.156 -5.499 731 HD1 PHE 93 HD2 PHE 93 -4.654 -8.493 -4.352 732 HD2 PHE 93 HD1 PHE 93 -1.154 -8.658 -1.919 733 HE1 PHE 93 HE2 PHE 93 -5.168 -6.267 -3.468 734 HE2 PHE 93 HE1 PHE 93 -1.673 -6.433 -1.043 735 HZ PHE 93 HZ PHE 93 -3.673 -5.227 -1.804 736 HB2 PHE 93 1HB PHE 93 -2.341 -10.785 -2.895 737 HB3 PHE 93 2HB PHE 93 -1.587 -10.051 -4.308 738 H GLU 94 H GLU 94 -3.479 -12.982 -3.437 739 HA GLU 94 HA GLU 94 -1.589 -14.498 -4.799 740 HB2 GLU 94 1HB GLU 94 -3.839 -15.162 -2.885 741 HB3 GLU 94 2HB GLU 94 -2.847 -16.451 -3.555 742 HG2 GLU 94 1HG GLU 94 -1.591 -14.085 -2.151 743 HG3 GLU 94 2HG GLU 94 -2.210 -15.466 -1.245 744 H LYS 95 H LYS 95 -5.169 -14.507 -5.237 745 HA LYS 95 HA LYS 95 -5.083 -16.657 -7.161 746 HB2 LYS 95 1HB LYS 95 -7.513 -16.293 -7.419 747 HB3 LYS 95 2HB LYS 95 -7.040 -16.450 -5.735 748 HG2 LYS 95 1HG LYS 95 -7.135 -13.970 -5.521 749 HG3 LYS 95 2HG LYS 95 -7.736 -13.879 -7.173 750 HD2 LYS 95 1HD LYS 95 -9.167 -15.459 -5.004 751 HD3 LYS 95 2HD LYS 95 -9.471 -13.747 -5.278 752 HE2 LYS 95 1HE LYS 95 -11.180 -14.967 -6.416 753 HE3 LYS 95 2HE LYS 95 -10.100 -14.314 -7.645 754 HZ1 LYS 95 3HZ LYS 95 -9.114 -16.465 -7.918 755 HZ2 LYS 95 1HZ LYS 95 -10.789 -16.618 -8.048 756 HZ3 LYS 95 2HZ LYS 95 -10.009 -17.100 -6.631 757 H TYR 96 H TYR 96 -4.903 -13.179 -7.370 758 HA TYR 96 HA TYR 96 -5.196 -13.100 -10.268 759 HD1 TYR 96 HD1 TYR 96 -6.856 -11.927 -7.494 760 HD2 TYR 96 HD2 TYR 96 -6.008 -9.612 -10.975 761 HE1 TYR 96 HE1 TYR 96 -9.183 -11.170 -7.544 762 HE2 TYR 96 HE2 TYR 96 -8.344 -8.854 -11.028 763 HH TYR 96 HH TYR 96 -10.446 -9.164 -8.464 764 HB2 TYR 96 1HB TYR 96 -4.395 -11.046 -8.182 765 HB3 TYR 96 2HB TYR 96 -4.217 -10.704 -9.899 766 H GLY 97 H GLY 97 -2.703 -13.931 -8.069 767 HA2 GLY 97 1HA GLY 97 -0.917 -15.282 -8.884 768 HA3 GLY 97 2HA GLY 97 -0.911 -14.371 -10.384 769 H PHE 98 H PHE 98 -0.995 -12.970 -7.177 770 HA PHE 98 HA PHE 98 1.726 -11.860 -7.532 771 HD1 PHE 98 HD1 PHE 98 1.774 -9.413 -8.637 772 HD2 PHE 98 HD2 PHE 98 -2.312 -10.116 -7.590 773 HE1 PHE 98 HE1 PHE 98 1.046 -8.311 -10.710 774 HE2 PHE 98 HE2 PHE 98 -3.027 -9.010 -9.668 775 HZ PHE 98 HZ PHE 98 -1.351 -8.112 -11.229 776 HB2 PHE 98 1HB PHE 98 -0.618 -10.616 -6.008 777 HB3 PHE 98 2HB PHE 98 0.984 -9.907 -6.203 778 H ARG 99 H ARG 99 3.058 -12.898 -6.301 779 HA ARG 99 HA ARG 99 2.661 -14.643 -4.207 780 HE ARG 99 HE ARG 99 7.239 -14.943 -1.674 781 HB2 ARG 99 1HB ARG 99 4.736 -14.794 -5.265 782 HB3 ARG 99 2HB ARG 99 5.000 -13.062 -5.267 783 HG2 ARG 99 1HG ARG 99 6.639 -14.117 -3.856 784 HG3 ARG 99 2HG ARG 99 5.550 -13.165 -2.852 785 HD2 ARG 99 1HD ARG 99 4.383 -15.200 -2.157 786 HD3 ARG 99 2HD ARG 99 5.424 -16.174 -3.206 787 HH11 ARG 99 1HH1 ARG 99 4.331 -16.691 -0.738 788 HH12 ARG 99 2HH1 ARG 99 4.948 -17.108 0.823 789 HH21 ARG 99 1HH2 ARG 99 8.024 -15.529 0.368 790 HH22 ARG 99 2HH2 ARG 99 7.028 -16.456 1.443 791 H MET 100 H MET 100 2.347 -14.483 -2.095 792 HA MET 100 HA MET 100 2.963 -12.017 -0.598 793 HB2 MET 100 1HB MET 100 0.310 -13.499 -0.395 794 HB3 MET 100 2HB MET 100 0.828 -12.214 0.682 795 HG2 MET 100 1HG MET 100 1.013 -10.916 -1.689 796 HG3 MET 100 2HG MET 100 -0.278 -12.050 -2.059 797 HE1 MET 100 3HE MET 100 -2.242 -12.449 -0.207 798 HE2 MET 100 1HE MET 100 -2.735 -11.197 0.937 799 HE3 MET 100 2HE MET 100 -1.288 -12.142 1.253 800 H VAL 101 H VAL 101 3.465 -12.323 1.549 801 HA VAL 101 HA VAL 101 4.213 -15.020 2.411 802 HB VAL 101 HB VAL 101 4.822 -12.351 3.785 803 HG11 VAL 101 1HG1 VAL 101 6.649 -13.608 4.910 804 HG12 VAL 101 2HG1 VAL 101 6.057 -15.104 4.172 805 HG13 VAL 101 3HG1 VAL 101 5.042 -14.215 5.315 806 HG21 VAL 101 3HG2 VAL 101 7.045 -12.427 2.727 807 HG22 VAL 101 1HG2 VAL 101 5.771 -12.353 1.509 808 HG23 VAL 101 2HG2 VAL 101 6.592 -13.882 1.834 809 H TYR 102 H TYR 102 2.992 -16.089 3.840 810 HA TYR 102 HA TYR 102 0.983 -14.700 5.524 811 HD1 TYR 102 HD2 TYR 102 0.867 -16.355 2.065 812 HD2 TYR 102 HD1 TYR 102 -2.105 -15.865 5.099 813 HE1 TYR 102 HE2 TYR 102 -0.727 -15.529 0.384 814 HE2 TYR 102 HE1 TYR 102 -3.685 -15.037 3.421 815 HH TYR 102 HH TYR 102 -3.210 -15.361 0.109 816 HB2 TYR 102 1HB TYR 102 1.039 -17.520 4.354 817 HB3 TYR 102 2HB TYR 102 -0.083 -17.048 5.627 818 H ASP 103 H ASP 103 0.679 -15.496 7.670 819 HA ASP 103 HA ASP 103 1.262 -16.152 9.748 820 HB2 ASP 103 1HB ASP 103 2.570 -18.458 8.238 821 HB3 ASP 103 2HB ASP 103 2.356 -18.426 9.986 822 H ASP 104 H ASP 104 2.885 -14.160 8.719 823 HA ASP 104 HA ASP 104 5.638 -14.477 9.191 824 HB2 ASP 104 1HB ASP 104 3.804 -12.065 9.372 825 HB3 ASP 104 2HB ASP 104 5.535 -11.939 9.628 826 H THR 105 H THR 105 3.292 -12.910 11.331 827 HA THR 105 HA THR 105 3.166 -12.430 13.492 828 HB THR 105 HB THR 105 3.301 -14.254 15.107 829 HG1 THR 105 HG1 THR 105 4.406 -15.805 12.982 830 HG21 THR 105 3HG2 THR 105 2.141 -15.164 12.443 831 HG22 THR 105 1HG2 THR 105 1.311 -14.181 13.654 832 HG23 THR 105 2HG2 THR 105 1.748 -15.851 14.020 833 H CYS 106 H CYS 106 6.138 -14.397 13.833 834 HA CYS 106 HA CYS 106 7.576 -12.024 14.884 835 HG CYS 106 HG CYS 106 10.148 -12.459 15.675 836 HB2 CYS 106 1HB CYS 106 7.371 -14.034 16.406 837 HB3 CYS 106 2HB CYS 106 8.259 -14.981 15.219 838 H ASP 107 H ASP 107 7.147 -12.153 12.182 839 HA ASP 107 HA ASP 107 7.898 -12.297 10.075 840 HB2 ASP 107 1HB ASP 107 9.929 -11.101 10.850 841 HB3 ASP 107 2HB ASP 107 10.685 -12.636 11.282 842 H LYS 108 H LYS 108 8.151 -13.870 8.464 843 HA LYS 108 HA LYS 108 8.015 -16.618 9.444 844 HB2 LYS 108 1HB LYS 108 6.342 -15.731 7.789 845 HB3 LYS 108 2HB LYS 108 7.635 -15.567 6.610 846 HG2 LYS 108 1HG LYS 108 6.344 -17.562 6.149 847 HG3 LYS 108 2HG LYS 108 7.971 -18.018 6.636 848 HD2 LYS 108 1HD LYS 108 5.796 -17.977 8.740 849 HD3 LYS 108 2HD LYS 108 5.810 -19.299 7.579 850 HE2 LYS 108 1HE LYS 108 8.063 -19.944 8.290 851 HE3 LYS 108 2HE LYS 108 8.143 -18.566 9.385 852 HZ1 LYS 108 3HZ LYS 108 7.608 -20.598 10.567 853 HZ2 LYS 108 1HZ LYS 108 6.241 -20.845 9.602 854 HZ3 LYS 108 2HZ LYS 108 6.309 -19.522 10.652 855 H LYS 109 H LYS 109 9.947 -17.533 9.803 856 HA LYS 109 HA LYS 109 11.924 -17.692 7.640 857 HB2 LYS 109 1HB LYS 109 13.823 -17.032 8.969 858 HB3 LYS 109 2HB LYS 109 12.627 -15.762 9.140 859 HG2 LYS 109 1HG LYS 109 13.071 -17.925 11.198 860 HG3 LYS 109 2HG LYS 109 13.877 -16.359 11.237 861 HD2 LYS 109 1HD LYS 109 11.891 -15.201 11.736 862 HD3 LYS 109 2HD LYS 109 10.860 -16.502 11.134 863 HE2 LYS 109 1HE LYS 109 10.753 -16.406 13.561 864 HE3 LYS 109 2HE LYS 109 11.518 -17.901 13.038 865 HZ1 LYS 109 3HZ LYS 109 12.624 -16.889 14.938 866 HZ2 LYS 109 1HZ LYS 109 12.974 -15.509 14.023 867 HZ3 LYS 109 2HZ LYS 109 13.658 -17.000 13.605 868 H ASN 110 H ASN 110 10.672 -18.850 10.700 869 HA ASN 110 HA ASN 110 11.294 -21.596 10.103 870 HB2 ASN 110 1HB ASN 110 13.448 -20.920 11.074 871 HB3 ASN 110 2HB ASN 110 12.659 -20.216 12.478 872 HD21 ASN 110 2HD2 ASN 110 13.438 -23.217 10.833 873 HD22 ASN 110 1HD2 ASN 110 13.258 -24.246 12.206 Start of MODEL 7 1 HA MET 1 HA MET 1 -5.638 15.599 -7.725 2 H1 MET 1 1H MET 1 -7.063 16.363 -5.972 3 H2 MET 1 2H MET 1 -6.887 14.906 -5.141 4 H3 MET 1 3H MET 1 -7.659 14.929 -6.638 5 HB2 MET 1 1HB MET 1 -4.641 16.795 -5.807 6 HB3 MET 1 2HB MET 1 -4.404 15.278 -4.959 7 HG2 MET 1 1HG MET 1 -2.885 14.573 -6.859 8 HG3 MET 1 2HG MET 1 -2.995 16.227 -7.461 9 HE1 MET 1 3HE MET 1 -1.384 18.195 -4.382 10 HE2 MET 1 1HE MET 1 -3.095 17.786 -4.532 11 HE3 MET 1 2HE MET 1 -2.199 18.373 -5.934 12 H LEU 2 H LEU 2 -5.699 13.169 -5.023 13 HA LEU 2 HA LEU 2 -4.026 11.374 -6.575 14 HG LEU 2 HG LEU 2 -6.086 9.608 -4.020 15 HB2 LEU 2 1HB LEU 2 -3.702 10.094 -4.683 16 HB3 LEU 2 2HB LEU 2 -3.882 11.715 -4.039 17 HD11 LEU 2 1HD1 LEU 2 -4.201 10.468 -1.816 18 HD12 LEU 2 2HD1 LEU 2 -4.242 8.894 -2.623 19 HD13 LEU 2 3HD1 LEU 2 -5.597 9.398 -1.615 20 HD21 LEU 2 3HD2 LEU 2 -6.950 11.915 -3.961 21 HD22 LEU 2 1HD2 LEU 2 -5.928 12.257 -2.563 22 HD23 LEU 2 2HD2 LEU 2 -7.228 11.067 -2.442 23 H GLU 3 H GLU 3 -7.304 11.866 -6.726 24 HA GLU 3 HA GLU 3 -8.302 9.237 -6.915 25 HB2 GLU 3 1HB GLU 3 -10.163 10.172 -8.297 26 HB3 GLU 3 2HB GLU 3 -9.909 11.027 -6.785 27 HG2 GLU 3 1HG GLU 3 -8.717 12.083 -9.351 28 HG3 GLU 3 2HG GLU 3 -10.407 12.376 -8.964 29 H ASP 4 H ASP 4 -6.254 11.053 -9.006 30 HA ASP 4 HA ASP 4 -6.540 9.360 -11.364 31 HB2 ASP 4 1HB ASP 4 -4.477 11.524 -10.735 32 HB3 ASP 4 2HB ASP 4 -4.775 10.795 -12.315 33 H TYR 5 H TYR 5 -4.768 9.300 -8.447 34 HA TYR 5 HA TYR 5 -2.613 7.553 -9.423 35 HD1 TYR 5 HD1 TYR 5 -3.369 10.992 -8.330 36 HD2 TYR 5 HD2 TYR 5 0.295 8.840 -7.835 37 HE1 TYR 5 HE1 TYR 5 -2.116 12.932 -9.157 38 HE2 TYR 5 HE2 TYR 5 1.544 10.787 -8.658 39 HH TYR 5 HH TYR 5 1.135 12.798 -10.069 40 HB2 TYR 5 1HB TYR 5 -3.076 8.877 -6.712 41 HB3 TYR 5 2HB TYR 5 -1.706 7.828 -7.083 42 H ALA 6 H ALA 6 -5.678 7.038 -8.737 43 HA ALA 6 HA ALA 6 -5.600 4.877 -6.816 44 HB1 ALA 6 3HB ALA 6 -7.839 5.714 -8.702 45 HB2 ALA 6 1HB ALA 6 -7.586 6.344 -7.075 46 HB3 ALA 6 2HB ALA 6 -7.986 4.641 -7.302 47 H ILE 7 H ILE 7 -4.749 2.961 -7.372 48 HA ILE 7 HA ILE 7 -5.149 1.879 -10.108 49 HB ILE 7 HB ILE 7 -3.099 0.923 -8.048 50 HG12 ILE 7 1HG1 ILE 7 -2.683 2.884 -10.366 51 HG13 ILE 7 2HG1 ILE 7 -2.583 3.278 -8.658 52 HG21 ILE 7 1HG2 ILE 7 -3.315 0.394 -11.047 53 HG22 ILE 7 2HG2 ILE 7 -3.699 -0.755 -9.765 54 HG23 ILE 7 3HG2 ILE 7 -2.038 -0.208 -9.984 55 HD11 ILE 7 3HD1 ILE 7 -0.615 1.809 -8.463 56 HD12 ILE 7 1HD1 ILE 7 -0.389 3.122 -9.617 57 HD13 ILE 7 2HD1 ILE 7 -0.707 1.490 -10.196 58 H SER 8 H SER 8 -6.219 -0.047 -10.325 59 HA SER 8 HA SER 8 -7.523 -1.233 -7.953 60 HG SER 8 HG SER 8 -8.617 0.469 -10.321 61 HB2 SER 8 1HB SER 8 -8.081 -1.623 -10.925 62 HB3 SER 8 2HB SER 8 -9.059 -2.240 -9.593 63 H LEU 9 H LEU 9 -7.546 -3.560 -7.688 64 HA LEU 9 HA LEU 9 -5.101 -4.900 -8.055 65 HG LEU 9 HG LEU 9 -6.671 -7.907 -8.136 66 HB2 LEU 9 1HB LEU 9 -6.547 -5.525 -6.244 67 HB3 LEU 9 2HB LEU 9 -7.869 -5.906 -7.333 68 HD11 LEU 9 1HD1 LEU 9 -4.593 -8.696 -7.063 69 HD12 LEU 9 2HD1 LEU 9 -4.475 -7.173 -6.179 70 HD13 LEU 9 3HD1 LEU 9 -4.352 -7.185 -7.938 71 HD21 LEU 9 3HD2 LEU 9 -6.812 -7.818 -5.108 72 HD22 LEU 9 1HD2 LEU 9 -6.845 -9.268 -6.115 73 HD23 LEU 9 2HD2 LEU 9 -8.173 -8.113 -6.194 74 H GLU 10 H GLU 10 -7.968 -4.819 -10.075 75 HA GLU 10 HA GLU 10 -7.450 -7.060 -11.733 76 HB2 GLU 10 1HB GLU 10 -9.133 -6.135 -13.240 77 HB3 GLU 10 2HB GLU 10 -9.661 -5.955 -11.570 78 HG2 GLU 10 1HG GLU 10 -9.100 -3.591 -11.581 79 HG3 GLU 10 2HG GLU 10 -8.386 -3.720 -13.185 80 H GLU 11 H GLU 11 -5.936 -3.964 -11.650 81 HA GLU 11 HA GLU 11 -4.806 -4.293 -14.382 82 HB2 GLU 11 1HB GLU 11 -4.801 -1.823 -14.576 83 HB3 GLU 11 2HB GLU 11 -6.430 -2.449 -14.338 84 HG2 GLU 11 1HG GLU 11 -6.431 -1.774 -12.015 85 HG3 GLU 11 2HG GLU 11 -4.738 -1.309 -12.090 86 H VAL 12 H VAL 12 -3.970 -4.444 -11.172 87 HA VAL 12 HA VAL 12 -1.725 -2.603 -11.165 88 HB VAL 12 HB VAL 12 -3.158 -3.078 -9.130 89 HG11 VAL 12 1HG1 VAL 12 -2.678 -5.039 -7.736 90 HG12 VAL 12 2HG1 VAL 12 -1.595 -5.680 -8.975 91 HG13 VAL 12 3HG1 VAL 12 -3.323 -5.521 -9.306 92 HG21 VAL 12 3HG2 VAL 12 -1.288 -2.963 -7.512 93 HG22 VAL 12 1HG2 VAL 12 -1.026 -1.911 -8.904 94 HG23 VAL 12 2HG2 VAL 12 -0.160 -3.445 -8.783 95 H ASN 13 H ASN 13 0.436 -3.101 -10.980 96 HA ASN 13 HA ASN 13 1.351 -5.919 -11.098 97 HB2 ASN 13 1HB ASN 13 2.689 -3.476 -12.377 98 HB3 ASN 13 2HB ASN 13 3.357 -5.102 -12.351 99 HD21 ASN 13 2HD2 ASN 13 0.896 -3.033 -13.756 100 HD22 ASN 13 1HD2 ASN 13 0.495 -4.087 -15.066 101 H PHE 14 H PHE 14 1.575 -6.040 -8.813 102 HA PHE 14 HA PHE 14 2.539 -4.005 -7.134 103 HD1 PHE 14 HD2 PHE 14 1.255 -4.007 -4.968 104 HD2 PHE 14 HD1 PHE 14 0.344 -7.747 -6.761 105 HE1 PHE 14 HE2 PHE 14 -1.078 -3.792 -4.248 106 HE2 PHE 14 HE1 PHE 14 -1.989 -7.540 -6.043 107 HZ PHE 14 HZ PHE 14 -2.707 -5.553 -4.784 108 HB2 PHE 14 1HB PHE 14 2.584 -7.025 -6.737 109 HB3 PHE 14 2HB PHE 14 3.046 -5.888 -5.478 110 H ASN 15 H ASN 15 4.272 -6.392 -9.009 111 HA ASN 15 HA ASN 15 6.840 -6.111 -7.799 112 HB2 ASN 15 1HB ASN 15 6.084 -7.156 -10.560 113 HB3 ASN 15 2HB ASN 15 7.641 -7.390 -9.769 114 HD21 ASN 15 2HD2 ASN 15 5.630 -9.339 -10.701 115 HD22 ASN 15 1HD2 ASN 15 5.270 -10.327 -9.335 116 H ASP 16 H ASP 16 5.108 -4.025 -9.805 117 HA ASP 16 HA ASP 16 7.338 -2.783 -11.199 118 HB2 ASP 16 1HB ASP 16 5.064 -3.005 -12.265 119 HB3 ASP 16 2HB ASP 16 4.410 -1.945 -11.029 120 H PHE 17 H PHE 17 5.414 -2.255 -8.298 121 HA PHE 17 HA PHE 17 6.690 0.405 -7.845 122 HD1 PHE 17 HD2 PHE 17 4.477 2.213 -8.915 123 HD2 PHE 17 HD1 PHE 17 2.760 -1.587 -8.005 124 HE1 PHE 17 HE2 PHE 17 3.022 2.393 -10.884 125 HE2 PHE 17 HE1 PHE 17 1.313 -1.404 -9.973 126 HZ PHE 17 HZ PHE 17 1.452 0.567 -11.423 127 HB2 PHE 17 1HB PHE 17 4.167 -0.507 -6.397 128 HB3 PHE 17 2HB PHE 17 4.763 1.130 -6.653 129 H ILE 18 H ILE 18 7.552 0.802 -5.760 130 HA ILE 18 HA ILE 18 8.133 -1.415 -3.999 131 HB ILE 18 HB ILE 18 8.439 1.578 -3.431 132 HG12 ILE 18 1HG1 ILE 18 10.523 -0.346 -4.596 133 HG13 ILE 18 2HG1 ILE 18 9.703 0.922 -5.496 134 HG21 ILE 18 1HG2 ILE 18 9.767 -0.828 -2.108 135 HG22 ILE 18 2HG2 ILE 18 8.506 0.184 -1.401 136 HG23 ILE 18 3HG2 ILE 18 10.098 0.864 -1.728 137 HD11 ILE 18 3HD1 ILE 18 11.951 1.572 -4.918 138 HD12 ILE 18 1HD1 ILE 18 11.618 1.322 -3.207 139 HD13 ILE 18 2HD1 ILE 18 10.789 2.607 -4.089 140 H VAL 19 H VAL 19 6.431 -2.288 -2.939 141 HA VAL 19 HA VAL 19 3.964 -0.757 -2.656 142 HB VAL 19 HB VAL 19 4.473 -3.679 -1.886 143 HG11 VAL 19 1HG1 VAL 19 2.376 -2.789 -0.975 144 HG12 VAL 19 2HG1 VAL 19 2.042 -3.973 -2.240 145 HG13 VAL 19 3HG1 VAL 19 1.880 -2.248 -2.581 146 HG21 VAL 19 3HG2 VAL 19 3.616 -4.316 -4.117 147 HG22 VAL 19 1HG2 VAL 19 5.106 -3.377 -4.239 148 HG23 VAL 19 2HG2 VAL 19 3.552 -2.613 -4.584 149 H VAL 20 H VAL 20 2.860 -0.550 -0.629 150 HA VAL 20 HA VAL 20 4.403 -1.001 1.846 151 HB VAL 20 HB VAL 20 2.797 1.520 1.187 152 HG11 VAL 20 1HG1 VAL 20 3.427 2.364 3.426 153 HG12 VAL 20 2HG1 VAL 20 4.189 0.815 3.801 154 HG13 VAL 20 3HG1 VAL 20 2.448 0.901 3.538 155 HG21 VAL 20 3HG2 VAL 20 5.052 1.517 0.176 156 HG22 VAL 20 1HG2 VAL 20 5.774 1.249 1.764 157 HG23 VAL 20 2HG2 VAL 20 4.905 2.750 1.425 158 H ASP 21 H ASP 21 3.253 -2.297 3.168 159 HA ASP 21 HA ASP 21 0.380 -2.665 2.916 160 HB2 ASP 21 1HB ASP 21 2.098 -4.473 3.685 161 HB3 ASP 21 2HB ASP 21 2.185 -3.610 5.215 162 H VAL 22 H VAL 22 -0.769 -0.825 3.459 163 HA VAL 22 HA VAL 22 0.055 0.784 5.793 164 HB VAL 22 HB VAL 22 -1.762 2.428 4.990 165 HG11 VAL 22 1HG1 VAL 22 -0.315 3.392 3.227 166 HG12 VAL 22 2HG1 VAL 22 0.569 1.868 3.111 167 HG13 VAL 22 3HG1 VAL 22 0.636 2.815 4.598 168 HG21 VAL 22 3HG2 VAL 22 -2.519 2.270 2.642 169 HG22 VAL 22 1HG2 VAL 22 -3.066 0.866 3.567 170 HG23 VAL 22 2HG2 VAL 22 -1.694 0.718 2.462 171 H ARG 23 H ARG 23 -0.550 -0.688 7.357 172 HA ARG 23 HA ARG 23 -3.364 -0.557 8.128 173 HE ARG 23 HE ARG 23 -2.388 -4.714 5.405 174 HB2 ARG 23 1HB ARG 23 -2.035 -3.240 7.544 175 HB3 ARG 23 2HB ARG 23 -3.469 -3.079 8.544 176 HG2 ARG 23 1HG ARG 23 -4.701 -2.135 6.578 177 HG3 ARG 23 2HG ARG 23 -3.267 -2.401 5.582 178 HD2 ARG 23 1HD ARG 23 -4.820 -4.581 7.037 179 HD3 ARG 23 2HD ARG 23 -4.988 -4.184 5.325 180 HH11 ARG 23 1HH1 ARG 23 -4.929 -6.507 7.062 181 HH12 ARG 23 2HH1 ARG 23 -4.141 -8.038 6.860 182 HH21 ARG 23 1HH2 ARG 23 -1.379 -6.703 5.161 183 HH22 ARG 23 2HH2 ARG 23 -2.108 -8.148 5.787 184 H GLU 24 H GLU 24 -1.064 -2.988 9.324 185 HA GLU 24 HA GLU 24 0.020 -1.382 11.457 186 HB2 GLU 24 1HB GLU 24 -2.052 -3.523 12.132 187 HB3 GLU 24 2HB GLU 24 -0.846 -2.991 13.291 188 HG2 GLU 24 1HG GLU 24 -1.779 -0.663 13.082 189 HG3 GLU 24 2HG GLU 24 -3.080 -1.335 12.100 190 H LEU 25 H LEU 25 1.295 -2.929 13.038 191 HA LEU 25 HA LEU 25 2.957 -4.779 11.666 192 HG LEU 25 HG LEU 25 3.227 -6.624 14.484 193 HB2 LEU 25 1HB LEU 25 3.814 -3.747 13.659 194 HB3 LEU 25 2HB LEU 25 2.431 -4.259 14.607 195 HD11 LEU 25 1HD1 LEU 25 5.682 -5.502 13.107 196 HD12 LEU 25 2HD1 LEU 25 4.470 -6.561 12.382 197 HD13 LEU 25 3HD1 LEU 25 5.484 -7.157 13.692 198 HD21 LEU 25 3HD2 LEU 25 5.316 -4.718 15.591 199 HD22 LEU 25 1HD2 LEU 25 5.085 -6.405 16.057 200 HD23 LEU 25 2HD2 LEU 25 3.838 -5.215 16.419 201 H ASP 26 H ASP 26 0.163 -5.198 13.817 202 HA ASP 26 HA ASP 26 -0.024 -7.963 14.002 203 HB2 ASP 26 1HB ASP 26 -1.387 -6.284 15.296 204 HB3 ASP 26 2HB ASP 26 -2.348 -5.981 13.853 205 H GLU 27 H GLU 27 -1.038 -5.816 11.485 206 HA GLU 27 HA GLU 27 -2.572 -7.709 9.947 207 HB2 GLU 27 1HB GLU 27 -1.625 -4.901 9.260 208 HB3 GLU 27 2HB GLU 27 -2.899 -5.805 8.449 209 HG2 GLU 27 1HG GLU 27 -2.964 -4.782 11.298 210 HG3 GLU 27 2HG GLU 27 -3.846 -4.115 9.924 211 H TYR 28 H TYR 28 0.683 -6.365 9.884 212 HA TYR 28 HA TYR 28 1.590 -7.402 7.403 213 HD1 TYR 28 HD1 TYR 28 4.724 -8.483 10.056 214 HD2 TYR 28 HD2 TYR 28 4.314 -5.967 6.631 215 HE1 TYR 28 HE1 TYR 28 6.932 -9.197 9.265 216 HE2 TYR 28 HE2 TYR 28 6.521 -6.690 5.840 217 HH TYR 28 HH TYR 28 8.162 -9.356 7.144 218 HB2 TYR 28 1HB TYR 28 2.832 -5.675 8.571 219 HB3 TYR 28 2HB TYR 28 3.010 -6.681 9.999 220 H GLU 29 H GLU 29 1.464 -8.702 10.684 221 HA GLU 29 HA GLU 29 3.084 -10.998 10.279 222 HB2 GLU 29 1HB GLU 29 1.015 -10.478 12.455 223 HB3 GLU 29 2HB GLU 29 2.246 -11.728 12.498 224 HG2 GLU 29 1HG GLU 29 4.006 -10.040 12.614 225 HG3 GLU 29 2HG GLU 29 2.821 -8.757 12.434 226 H GLU 30 H GLU 30 -0.490 -10.574 10.398 227 HA GLU 30 HA GLU 30 -1.214 -13.277 10.162 228 HB2 GLU 30 1HB GLU 30 -3.426 -12.389 9.256 229 HB3 GLU 30 2HB GLU 30 -2.928 -11.725 10.805 230 HG2 GLU 30 1HG GLU 30 -2.226 -9.665 9.772 231 HG3 GLU 30 2HG GLU 30 -2.499 -10.321 8.159 232 H LEU 31 H LEU 31 -0.886 -10.856 7.533 233 HA LEU 31 HA LEU 31 0.476 -12.530 5.776 234 HG LEU 31 HG LEU 31 -3.583 -13.024 4.381 235 HB2 LEU 31 1HB LEU 31 -1.052 -13.048 4.002 236 HB3 LEU 31 2HB LEU 31 -1.671 -13.711 5.489 237 HD11 LEU 31 1HD1 LEU 31 -4.587 -11.141 5.540 238 HD12 LEU 31 2HD1 LEU 31 -3.000 -10.649 6.135 239 HD13 LEU 31 3HD1 LEU 31 -3.696 -12.190 6.641 240 HD21 LEU 31 3HD2 LEU 31 -3.967 -10.964 3.164 241 HD22 LEU 31 1HD2 LEU 31 -2.569 -11.823 2.522 242 HD23 LEU 31 2HD2 LEU 31 -2.337 -10.404 3.547 243 H HIS 32 H HIS 32 1.220 -11.437 3.945 244 HA HIS 32 HA HIS 32 0.305 -8.805 3.201 245 HD1 HIS 32 HD1 HIS 32 2.982 -10.700 5.900 246 HD2 HIS 32 HD2 HIS 32 4.909 -7.842 3.584 247 HE1 HIS 32 HE1 HIS 32 5.398 -11.371 5.829 248 HE2 HIS 32 HE2 HIS 32 6.561 -9.511 4.642 249 HB2 HIS 32 1HB HIS 32 2.230 -7.502 3.942 250 HB3 HIS 32 2HB HIS 32 1.601 -8.350 5.355 251 H LEU 33 H LEU 33 1.575 -7.949 1.397 252 HA LEU 33 HA LEU 33 2.673 -9.877 -0.409 253 HG LEU 33 HG LEU 33 0.473 -8.123 -0.845 254 HB2 LEU 33 1HB LEU 33 2.672 -6.842 -0.380 255 HB3 LEU 33 2HB LEU 33 3.349 -7.770 -1.710 256 HD11 LEU 33 1HD1 LEU 33 -0.189 -6.523 -2.598 257 HD12 LEU 33 2HD1 LEU 33 1.508 -6.119 -2.866 258 HD13 LEU 33 3HD1 LEU 33 0.744 -5.751 -1.319 259 HD21 LEU 33 3HD2 LEU 33 0.152 -8.942 -3.146 260 HD22 LEU 33 1HD2 LEU 33 1.375 -9.887 -2.301 261 HD23 LEU 33 2HD2 LEU 33 1.863 -8.679 -3.492 262 HA PRO 34 HA PRO 34 6.888 -9.940 1.119 263 HB2 PRO 34 1HB PRO 34 8.257 -10.700 -1.159 264 HB3 PRO 34 2HB PRO 34 7.257 -11.816 -0.220 265 HG2 PRO 34 1HG PRO 34 6.565 -10.319 -2.742 266 HG3 PRO 34 2HG PRO 34 6.239 -12.019 -2.329 267 HD2 PRO 34 1HD PRO 34 4.343 -10.077 -2.123 268 HD3 PRO 34 2HD PRO 34 4.381 -11.464 -1.015 269 H ASN 35 H ASN 35 6.000 -8.011 -1.682 270 HA ASN 35 HA ASN 35 8.353 -6.276 -1.638 271 HB2 ASN 35 1HB ASN 35 5.818 -6.128 -3.336 272 HB3 ASN 35 2HB ASN 35 7.286 -5.190 -3.595 273 HD21 ASN 35 2HD2 ASN 35 5.819 -7.176 -5.270 274 HD22 ASN 35 1HD2 ASN 35 7.015 -8.315 -5.767 275 H ALA 36 H ALA 36 5.591 -6.466 0.173 276 HA ALA 36 HA ALA 36 4.895 -3.659 0.332 277 HB1 ALA 36 3HB ALA 36 3.143 -5.358 0.628 278 HB2 ALA 36 1HB ALA 36 3.273 -4.321 2.051 279 HB3 ALA 36 2HB ALA 36 3.949 -5.953 2.078 280 H THR 37 H THR 37 5.694 -2.215 1.662 281 HA THR 37 HA THR 37 7.712 -2.795 3.674 282 HB THR 37 HB THR 37 6.518 -0.142 2.706 283 HG1 THR 37 HG1 THR 37 7.639 -0.977 1.011 284 HG21 THR 37 3HG2 THR 37 9.034 -0.630 4.353 285 HG22 THR 37 1HG2 THR 37 7.536 0.101 4.944 286 HG23 THR 37 2HG2 THR 37 8.500 0.927 3.721 287 H LEU 38 H LEU 38 7.286 -2.712 5.871 288 HA LEU 38 HA LEU 38 4.540 -2.694 6.765 289 HG LEU 38 HG LEU 38 4.515 -4.463 8.775 290 HB2 LEU 38 1HB LEU 38 6.638 -4.029 7.712 291 HB3 LEU 38 2HB LEU 38 6.904 -2.584 8.666 292 HD11 LEU 38 1HD1 LEU 38 5.225 -4.837 11.099 293 HD12 LEU 38 2HD1 LEU 38 6.613 -3.775 10.847 294 HD13 LEU 38 3HD1 LEU 38 6.474 -5.284 9.940 295 HD21 LEU 38 3HD2 LEU 38 3.614 -2.201 9.057 296 HD22 LEU 38 1HD2 LEU 38 4.801 -1.872 10.325 297 HD23 LEU 38 2HD2 LEU 38 3.553 -3.094 10.576 298 H ILE 39 H ILE 39 3.644 -0.657 6.522 299 HA ILE 39 HA ILE 39 4.506 1.231 8.624 300 HB ILE 39 HB ILE 39 3.528 2.183 5.879 301 HG12 ILE 39 1HG1 ILE 39 6.312 2.475 7.112 302 HG13 ILE 39 2HG1 ILE 39 5.901 1.398 5.789 303 HG21 ILE 39 1HG2 ILE 39 2.749 3.650 7.680 304 HG22 ILE 39 2HG2 ILE 39 4.019 4.468 6.774 305 HG23 ILE 39 3HG2 ILE 39 4.381 3.760 8.346 306 HD11 ILE 39 3HD1 ILE 39 7.037 3.365 4.976 307 HD12 ILE 39 1HD1 ILE 39 5.835 4.413 5.728 308 HD13 ILE 39 2HD1 ILE 39 5.375 3.360 4.388 309 H SER 40 H SER 40 2.869 1.769 9.884 310 HA SER 40 HA SER 40 0.211 0.742 9.426 311 HG SER 40 HG SER 40 2.331 0.698 11.737 312 HB2 SER 40 1HB SER 40 1.171 2.629 11.618 313 HB3 SER 40 2HB SER 40 -0.327 1.695 11.608 314 H VAL 41 H VAL 41 -1.465 1.841 8.508 315 HA VAL 41 HA VAL 41 -1.326 4.262 7.151 316 HB VAL 41 HB VAL 41 -3.129 2.614 6.781 317 HG11 VAL 41 1HG1 VAL 41 -3.522 1.906 9.092 318 HG12 VAL 41 2HG1 VAL 41 -5.038 2.387 8.334 319 HG13 VAL 41 3HG1 VAL 41 -4.244 3.470 9.479 320 HG21 VAL 41 3HG2 VAL 41 -3.541 4.906 5.999 321 HG22 VAL 41 1HG2 VAL 41 -4.245 5.343 7.553 322 HG23 VAL 41 2HG2 VAL 41 -5.051 4.165 6.515 323 H ASN 42 H ASN 42 -1.820 3.649 10.525 324 HA ASN 42 HA ASN 42 -2.863 6.066 11.500 325 HB2 ASN 42 1HB ASN 42 -0.912 4.179 12.905 326 HB3 ASN 42 2HB ASN 42 -2.016 5.309 13.686 327 HD21 ASN 42 2HD2 ASN 42 -1.752 2.336 13.874 328 HD22 ASN 42 1HD2 ASN 42 -3.336 1.728 13.549 329 H ASP 43 H ASP 43 0.480 5.036 10.854 330 HA ASP 43 HA ASP 43 1.684 7.488 11.879 331 HB2 ASP 43 1HB ASP 43 2.946 5.037 10.566 332 HB3 ASP 43 2HB ASP 43 3.861 6.410 11.176 333 H GLN 44 H GLN 44 0.731 9.009 10.421 334 HA GLN 44 HA GLN 44 1.336 9.099 7.639 335 HB2 GLN 44 1HB GLN 44 0.688 11.306 9.634 336 HB3 GLN 44 2HB GLN 44 1.082 11.663 7.956 337 HG2 GLN 44 1HG GLN 44 -1.239 11.671 7.972 338 HG3 GLN 44 2HG GLN 44 -0.826 10.083 7.325 339 HE21 GLN 44 2HE2 GLN 44 -1.289 8.254 8.573 340 HE22 GLN 44 1HE2 GLN 44 -2.325 8.318 9.948 341 H GLU 45 H GLU 45 3.122 9.912 10.522 342 HA GLU 45 HA GLU 45 5.164 11.489 9.353 343 HB2 GLU 45 1HB GLU 45 6.360 11.118 11.505 344 HB3 GLU 45 2HB GLU 45 4.694 11.644 11.712 345 HG2 GLU 45 1HG GLU 45 4.036 9.273 12.158 346 HG3 GLU 45 2HG GLU 45 5.734 8.813 12.062 347 H LYS 46 H LYS 46 4.870 8.005 9.860 348 HA LYS 46 HA LYS 46 7.571 7.380 9.007 349 HB2 LYS 46 1HB LYS 46 6.427 5.946 10.635 350 HB3 LYS 46 2HB LYS 46 5.138 5.619 9.492 351 HG2 LYS 46 1HG LYS 46 6.494 3.673 9.605 352 HG3 LYS 46 2HG LYS 46 6.802 4.412 8.042 353 HD2 LYS 46 1HD LYS 46 8.679 5.001 10.341 354 HD3 LYS 46 2HD LYS 46 8.784 3.441 9.532 355 HE2 LYS 46 1HE LYS 46 9.087 4.673 7.352 356 HE3 LYS 46 2HE LYS 46 9.170 6.177 8.269 357 HZ1 LYS 46 3HZ LYS 46 11.048 3.878 8.430 358 HZ2 LYS 46 1HZ LYS 46 11.084 5.201 9.484 359 HZ3 LYS 46 2HZ LYS 46 11.371 5.425 7.836 360 H LEU 47 H LEU 47 4.323 7.325 7.571 361 HA LEU 47 HA LEU 47 4.916 6.366 5.001 362 HG LEU 47 HG LEU 47 2.551 5.737 6.452 363 HB2 LEU 47 1HB LEU 47 2.823 8.220 6.147 364 HB3 LEU 47 2HB LEU 47 2.871 7.964 4.417 365 HD11 LEU 47 1HD1 LEU 47 0.589 7.184 6.526 366 HD12 LEU 47 2HD1 LEU 47 0.196 5.632 5.791 367 HD13 LEU 47 3HD1 LEU 47 0.409 7.058 4.773 368 HD21 LEU 47 3HD2 LEU 47 2.245 5.692 3.428 369 HD22 LEU 47 1HD2 LEU 47 1.944 4.339 4.522 370 HD23 LEU 47 2HD2 LEU 47 3.575 4.977 4.346 371 H ALA 48 H ALA 48 5.043 9.638 6.326 372 HA ALA 48 HA ALA 48 5.767 11.027 3.953 373 HB1 ALA 48 3HB ALA 48 6.120 11.853 6.852 374 HB2 ALA 48 1HB ALA 48 4.688 12.144 5.864 375 HB3 ALA 48 2HB ALA 48 6.215 12.925 5.449 376 H ASP 49 H ASP 49 7.577 9.670 6.695 377 HA ASP 49 HA ASP 49 10.143 10.616 6.057 378 HB2 ASP 49 1HB ASP 49 9.719 9.629 8.250 379 HB3 ASP 49 2HB ASP 49 9.319 8.076 7.519 380 H PHE 50 H PHE 50 8.442 7.657 5.104 381 HA PHE 50 HA PHE 50 10.508 6.332 3.733 382 HD1 PHE 50 HD1 PHE 50 10.248 3.733 3.745 383 HD2 PHE 50 HD2 PHE 50 7.270 5.156 1.021 384 HE1 PHE 50 HE1 PHE 50 10.729 1.862 2.231 385 HE2 PHE 50 HE2 PHE 50 7.761 3.271 -0.484 386 HZ PHE 50 HZ PHE 50 9.491 1.628 0.120 387 HB2 PHE 50 1HB PHE 50 8.301 5.332 4.441 388 HB3 PHE 50 2HB PHE 50 7.511 6.223 3.145 389 H LEU 51 H LEU 51 8.102 8.673 2.660 390 HA LEU 51 HA LEU 51 9.019 8.797 -0.089 391 HG LEU 51 HG LEU 51 6.228 8.198 1.247 392 HB2 LEU 51 1HB LEU 51 7.054 10.545 1.429 393 HB3 LEU 51 2HB LEU 51 7.315 10.577 -0.311 394 HD11 LEU 51 1HD1 LEU 51 4.629 10.048 1.165 395 HD12 LEU 51 2HD1 LEU 51 4.086 8.683 0.192 396 HD13 LEU 51 3HD1 LEU 51 4.775 10.106 -0.594 397 HD21 LEU 51 3HD2 LEU 51 6.547 8.556 -1.753 398 HD22 LEU 51 1HD2 LEU 51 5.733 7.206 -0.955 399 HD23 LEU 51 2HD2 LEU 51 7.463 7.447 -0.730 400 H SER 52 H SER 52 9.868 10.411 2.853 401 HA SER 52 HA SER 52 11.068 12.738 1.615 402 HG SER 52 HG SER 52 11.625 14.347 4.120 403 HB2 SER 52 1HB SER 52 10.187 12.837 3.943 404 HB3 SER 52 2HB SER 52 11.402 11.665 4.454 405 H GLN 53 H GLN 53 12.071 9.492 2.503 406 HA GLN 53 HA GLN 53 14.881 9.740 2.435 407 HB2 GLN 53 1HB GLN 53 13.127 7.371 1.654 408 HB3 GLN 53 2HB GLN 53 14.866 7.275 1.886 409 HG2 GLN 53 1HG GLN 53 12.824 7.945 4.018 410 HG3 GLN 53 2HG GLN 53 13.622 6.392 3.809 411 HE21 GLN 53 2HE2 GLN 53 13.601 8.120 6.148 412 HE22 GLN 53 1HE2 GLN 53 15.251 8.507 6.489 413 H HIS 54 H HIS 54 12.479 9.355 -0.062 414 HA HIS 54 HA HIS 54 14.074 10.353 -2.219 415 HD1 HIS 54 HD1 HIS 54 15.148 6.483 -0.987 416 HD2 HIS 54 HD2 HIS 54 16.219 8.893 -4.179 417 HE1 HIS 54 HE1 HIS 54 17.596 6.106 -1.306 418 HE2 HIS 54 HE2 HIS 54 18.194 7.465 -3.342 419 HB2 HIS 54 1HB HIS 54 13.146 7.426 -2.231 420 HB3 HIS 54 2HB HIS 54 13.447 8.302 -3.732 421 H LYS 55 H LYS 55 12.534 11.793 -2.913 422 HA LYS 55 HA LYS 55 9.703 11.241 -2.723 423 HB2 LYS 55 1HB LYS 55 11.202 13.495 -4.100 424 HB3 LYS 55 2HB LYS 55 9.445 13.403 -4.007 425 HG2 LYS 55 1HG LYS 55 9.672 13.378 -1.486 426 HG3 LYS 55 2HG LYS 55 11.392 13.697 -1.707 427 HD2 LYS 55 1HD LYS 55 10.247 15.782 -1.218 428 HD3 LYS 55 2HD LYS 55 10.832 15.823 -2.880 429 HE2 LYS 55 1HE LYS 55 7.984 15.041 -2.221 430 HE3 LYS 55 2HE LYS 55 8.453 16.729 -2.400 431 HZ1 LYS 55 3HZ LYS 55 7.592 15.954 -4.468 432 HZ2 LYS 55 1HZ LYS 55 8.612 14.608 -4.474 433 HZ3 LYS 55 2HZ LYS 55 9.262 16.151 -4.665 434 H ASP 56 H ASP 56 12.130 11.107 -5.241 435 HA ASP 56 HA ASP 56 10.230 10.340 -7.323 436 HB2 ASP 56 1HB ASP 56 13.271 10.608 -7.423 437 HB3 ASP 56 2HB ASP 56 12.242 10.253 -8.806 438 H LYS 57 H LYS 57 9.572 8.426 -6.026 439 HA LYS 57 HA LYS 57 10.579 6.246 -7.574 440 HB2 LYS 57 1HB LYS 57 11.180 4.654 -5.956 441 HB3 LYS 57 2HB LYS 57 11.979 6.114 -5.417 442 HG2 LYS 57 1HG LYS 57 9.419 4.987 -4.242 443 HG3 LYS 57 2HG LYS 57 11.038 4.766 -3.574 444 HD2 LYS 57 1HD LYS 57 11.198 7.282 -3.376 445 HD3 LYS 57 2HD LYS 57 9.498 7.360 -3.830 446 HE2 LYS 57 1HE LYS 57 9.703 7.508 -1.421 447 HE3 LYS 57 2HE LYS 57 8.939 5.981 -1.835 448 HZ1 LYS 57 3HZ LYS 57 10.605 5.736 -0.114 449 HZ2 LYS 57 1HZ LYS 57 11.795 6.340 -1.147 450 HZ3 LYS 57 2HZ LYS 57 11.041 4.869 -1.498 451 H LYS 58 H LYS 58 9.042 4.540 -7.752 452 HA LYS 58 HA LYS 58 6.306 5.382 -7.430 453 HB2 LYS 58 1HB LYS 58 7.713 3.132 -8.817 454 HB3 LYS 58 2HB LYS 58 6.014 2.902 -8.421 455 HG2 LYS 58 1HG LYS 58 5.281 4.428 -9.965 456 HG3 LYS 58 2HG LYS 58 6.656 5.504 -9.722 457 HD2 LYS 58 1HD LYS 58 6.631 4.558 -11.965 458 HD3 LYS 58 2HD LYS 58 8.062 4.075 -11.060 459 HE2 LYS 58 1HE LYS 58 6.976 1.874 -10.587 460 HE3 LYS 58 2HE LYS 58 5.612 2.367 -11.596 461 HZ1 LYS 58 3HZ LYS 58 8.420 2.145 -12.525 462 HZ2 LYS 58 1HZ LYS 58 7.069 2.484 -13.486 463 HZ3 LYS 58 2HZ LYS 58 7.230 0.967 -12.755 464 H VAL 59 H VAL 59 5.174 5.043 -5.633 465 HA VAL 59 HA VAL 59 5.702 2.644 -3.980 466 HB VAL 59 HB VAL 59 4.940 5.416 -2.944 467 HG11 VAL 59 1HG1 VAL 59 5.253 4.461 -0.694 468 HG12 VAL 59 2HG1 VAL 59 5.584 2.875 -1.402 469 HG13 VAL 59 3HG1 VAL 59 3.989 3.603 -1.575 470 HG21 VAL 59 3HG2 VAL 59 7.271 5.357 -3.681 471 HG22 VAL 59 1HG2 VAL 59 7.568 3.906 -2.721 472 HG23 VAL 59 2HG2 VAL 59 7.189 5.435 -1.922 473 H LEU 60 H LEU 60 3.977 1.500 -3.413 474 HA LEU 60 HA LEU 60 1.295 2.442 -4.287 475 HG LEU 60 HG LEU 60 -0.123 -0.241 -4.210 476 HB2 LEU 60 1HB LEU 60 2.358 0.669 -5.715 477 HB3 LEU 60 2HB LEU 60 2.404 -0.387 -4.312 478 HD11 LEU 60 1HD1 LEU 60 0.184 1.118 -6.910 479 HD12 LEU 60 2HD1 LEU 60 -0.424 1.870 -5.433 480 HD13 LEU 60 3HD1 LEU 60 -1.333 0.565 -6.192 481 HD21 LEU 60 3HD2 LEU 60 -0.484 -1.804 -6.067 482 HD22 LEU 60 1HD2 LEU 60 1.010 -2.168 -5.207 483 HD23 LEU 60 2HD2 LEU 60 1.069 -1.349 -6.769 484 H LEU 61 H LEU 61 0.475 3.078 -2.330 485 HA LEU 61 HA LEU 61 0.793 1.547 0.101 486 HG LEU 61 HG LEU 61 1.488 3.777 1.285 487 HB2 LEU 61 1HB LEU 61 -0.905 3.978 -0.609 488 HB3 LEU 61 2HB LEU 61 -0.944 3.231 0.979 489 HD11 LEU 61 1HD1 LEU 61 1.240 5.284 -1.330 490 HD12 LEU 61 2HD1 LEU 61 2.222 3.846 -1.038 491 HD13 LEU 61 3HD1 LEU 61 2.612 5.354 -0.218 492 HD21 LEU 61 3HD2 LEU 61 -0.249 6.180 0.635 493 HD22 LEU 61 1HD2 LEU 61 1.219 6.204 1.617 494 HD23 LEU 61 2HD2 LEU 61 -0.194 5.315 2.170 495 H HIS 62 H HIS 62 -0.121 -0.477 -0.080 496 HA HIS 62 HA HIS 62 -2.755 -0.789 -1.342 497 HD1 HIS 62 HD1 HIS 62 -2.823 -4.638 0.099 498 HD2 HIS 62 HD2 HIS 62 1.052 -3.186 0.337 499 HE1 HIS 62 HE1 HIS 62 -1.659 -6.095 1.770 500 HE2 HIS 62 HE2 HIS 62 0.580 -5.023 2.078 501 HB2 HIS 62 1HB HIS 62 -2.225 -3.003 -1.803 502 HB3 HIS 62 2HB HIS 62 -0.615 -2.306 -1.804 503 H CYS 63 H CYS 63 -4.542 -1.474 -0.309 504 HA CYS 63 HA CYS 63 -4.434 -2.016 2.619 505 HG CYS 63 HG CYS 63 -6.607 -1.113 4.400 506 HB2 CYS 63 1HB CYS 63 -5.442 0.168 2.252 507 HB3 CYS 63 2HB CYS 63 -6.543 -0.491 1.037 508 H ARG 64 H ARG 64 -6.047 -3.449 3.433 509 HA ARG 64 HA ARG 64 -6.618 -5.768 1.983 510 HE ARG 64 HE ARG 64 -9.156 -5.621 6.423 511 HB2 ARG 64 1HB ARG 64 -6.564 -5.869 4.367 512 HB3 ARG 64 2HB ARG 64 -7.825 -4.646 4.520 513 HG2 ARG 64 1HG ARG 64 -9.531 -6.158 3.822 514 HG3 ARG 64 2HG ARG 64 -8.357 -7.328 3.205 515 HD2 ARG 64 1HD ARG 64 -9.468 -7.913 5.408 516 HD3 ARG 64 2HD ARG 64 -7.704 -7.980 5.390 517 HH11 ARG 64 1HH1 ARG 64 -6.873 -8.232 6.963 518 HH12 ARG 64 2HH1 ARG 64 -6.246 -7.550 8.424 519 HH21 ARG 64 1HH2 ARG 64 -8.312 -4.724 8.344 520 HH22 ARG 64 2HH2 ARG 64 -7.055 -5.564 9.198 521 H ALA 65 H ALA 65 -8.723 -2.983 2.667 522 HA ALA 65 HA ALA 65 -10.678 -4.004 0.689 523 HB1 ALA 65 3HB ALA 65 -12.283 -2.465 1.698 524 HB2 ALA 65 1HB ALA 65 -11.039 -1.832 2.775 525 HB3 ALA 65 2HB ALA 65 -11.574 -3.503 2.937 526 H GLY 66 H GLY 66 -9.462 -0.751 1.701 527 HA2 GLY 66 1HA GLY 66 -8.233 0.097 -0.578 528 HA3 GLY 66 2HA GLY 66 -9.930 0.312 -0.969 529 H ARG 67 H ARG 67 -10.460 0.996 1.978 530 HA ARG 67 HA ARG 67 -10.360 3.808 1.635 531 HE ARG 67 HE ARG 67 -10.845 6.762 4.941 532 HB2 ARG 67 1HB ARG 67 -12.139 2.821 3.005 533 HB3 ARG 67 2HB ARG 67 -10.958 2.213 4.160 534 HG2 ARG 67 1HG ARG 67 -12.074 4.220 5.044 535 HG3 ARG 67 2HG ARG 67 -10.354 4.519 4.795 536 HD2 ARG 67 1HD ARG 67 -11.109 5.478 2.455 537 HD3 ARG 67 2HD ARG 67 -12.701 5.584 3.214 538 HH11 ARG 67 1HH1 ARG 67 -12.305 7.433 1.814 539 HH12 ARG 67 2HH1 ARG 67 -11.967 9.131 1.892 540 HH21 ARG 67 1HH2 ARG 67 -10.369 8.989 4.995 541 HH22 ARG 67 2HH2 ARG 67 -10.881 10.005 3.689 542 H ARG 68 H ARG 68 -8.364 1.614 3.647 543 HA ARG 68 HA ARG 68 -6.863 3.712 4.906 544 HE ARG 68 HE ARG 68 -8.471 0.977 8.465 545 HB2 ARG 68 1HB ARG 68 -6.060 0.795 4.497 546 HB3 ARG 68 2HB ARG 68 -5.290 1.925 5.605 547 HG2 ARG 68 1HG ARG 68 -8.111 0.855 5.785 548 HG3 ARG 68 2HG ARG 68 -6.754 0.450 6.826 549 HD2 ARG 68 1HD ARG 68 -6.676 2.912 7.492 550 HD3 ARG 68 2HD ARG 68 -8.215 3.101 6.646 551 HH11 ARG 68 1HH1 ARG 68 -8.137 4.478 8.543 552 HH12 ARG 68 2HH1 ARG 68 -8.860 4.634 10.107 553 HH21 ARG 68 1HH2 ARG 68 -9.413 1.224 10.541 554 HH22 ARG 68 2HH2 ARG 68 -9.576 2.808 11.225 555 H ALA 69 H ALA 69 -6.507 1.937 1.921 556 HA ALA 69 HA ALA 69 -3.900 2.701 1.135 557 HB1 ALA 69 3HB ALA 69 -5.167 0.949 -0.042 558 HB2 ALA 69 1HB ALA 69 -4.656 2.203 -1.173 559 HB3 ALA 69 2HB ALA 69 -6.331 2.144 -0.614 560 H LEU 70 H LEU 70 -7.057 4.095 0.373 561 HA LEU 70 HA LEU 70 -6.265 6.368 -1.040 562 HG LEU 70 HG LEU 70 -8.650 8.240 0.299 563 HB2 LEU 70 1HB LEU 70 -8.555 5.541 -1.116 564 HB3 LEU 70 2HB LEU 70 -8.744 5.771 0.614 565 HD11 LEU 70 1HD1 LEU 70 -8.586 7.640 -2.671 566 HD12 LEU 70 2HD1 LEU 70 -7.288 8.371 -1.722 567 HD13 LEU 70 3HD1 LEU 70 -8.809 9.233 -1.940 568 HD21 LEU 70 3HD2 LEU 70 -10.866 8.514 -0.740 569 HD22 LEU 70 1HD2 LEU 70 -10.842 7.133 0.356 570 HD23 LEU 70 2HD2 LEU 70 -10.776 6.876 -1.391 571 H ASP 71 H ASP 71 -7.252 6.087 2.370 572 HA ASP 71 HA ASP 71 -7.110 8.784 3.052 573 HB2 ASP 71 1HB ASP 71 -8.322 6.961 4.343 574 HB3 ASP 71 2HB ASP 71 -6.765 6.441 4.969 575 H ALA 72 H ALA 72 -4.730 6.191 3.591 576 HA ALA 72 HA ALA 72 -2.667 7.588 4.829 577 HB1 ALA 72 3HB ALA 72 -2.681 5.143 4.513 578 HB2 ALA 72 1HB ALA 72 -1.177 5.844 3.921 579 HB3 ALA 72 2HB ALA 72 -2.435 5.351 2.783 580 H ALA 73 H ALA 73 -3.093 6.971 1.336 581 HA ALA 73 HA ALA 73 -0.871 8.501 0.491 582 HB1 ALA 73 3HB ALA 73 -1.822 6.671 -0.846 583 HB2 ALA 73 1HB ALA 73 -1.747 8.175 -1.772 584 HB3 ALA 73 2HB ALA 73 -3.286 7.616 -1.112 585 H LYS 74 H LYS 74 -4.217 9.455 1.196 586 HA LYS 74 HA LYS 74 -4.271 11.928 -0.215 587 HB2 LYS 74 1HB LYS 74 -5.719 11.341 2.406 588 HB3 LYS 74 2HB LYS 74 -6.063 12.670 1.303 589 HG2 LYS 74 1HG LYS 74 -6.551 10.767 -0.429 590 HG3 LYS 74 2HG LYS 74 -6.661 9.737 0.992 591 HD2 LYS 74 1HD LYS 74 -8.887 10.381 0.600 592 HD3 LYS 74 2HD LYS 74 -8.371 11.464 1.891 593 HE2 LYS 74 1HE LYS 74 -7.879 13.201 0.116 594 HE3 LYS 74 2HE LYS 74 -8.609 12.108 -1.071 595 HZ1 LYS 74 3HZ LYS 74 -10.161 13.785 -0.263 596 HZ2 LYS 74 1HZ LYS 74 -9.981 13.222 1.320 597 HZ3 LYS 74 2HZ LYS 74 -10.678 12.227 0.146 598 H SER 75 H SER 75 -3.511 11.125 3.139 599 HA SER 75 HA SER 75 -2.771 13.603 4.139 600 HG SER 75 HG SER 75 -3.670 10.571 5.221 601 HB2 SER 75 1HB SER 75 -1.591 10.889 4.895 602 HB3 SER 75 2HB SER 75 -1.627 12.336 5.912 603 H MET 76 H MET 76 -0.780 11.159 2.493 604 HA MET 76 HA MET 76 1.722 12.472 2.641 605 HB2 MET 76 1HB MET 76 0.606 10.338 0.806 606 HB3 MET 76 2HB MET 76 2.236 10.960 0.578 607 HG2 MET 76 1HG MET 76 2.080 8.809 1.862 608 HG3 MET 76 2HG MET 76 2.974 10.088 2.672 609 HE1 MET 76 3HE MET 76 1.029 10.703 5.882 610 HE2 MET 76 1HE MET 76 1.532 11.740 4.548 611 HE3 MET 76 2HE MET 76 2.633 10.511 5.180 612 H HIS 77 H HIS 77 -0.799 12.545 0.116 613 HA HIS 77 HA HIS 77 0.504 14.299 -1.667 614 HD1 HIS 77 HD1 HIS 77 -1.679 14.096 -4.716 615 HD2 HIS 77 HD2 HIS 77 -0.691 11.031 -2.108 616 HE1 HIS 77 HE1 HIS 77 -1.148 12.130 -6.167 617 HE2 HIS 77 HE2 HIS 77 -0.640 10.261 -4.565 618 HB2 HIS 77 1HB HIS 77 -2.358 13.479 -1.294 619 HB3 HIS 77 2HB HIS 77 -1.989 14.805 -2.385 620 H GLU 78 H GLU 78 -1.387 14.904 1.223 621 HA GLU 78 HA GLU 78 -1.703 17.738 0.869 622 HB2 GLU 78 1HB GLU 78 -1.921 16.066 3.407 623 HB3 GLU 78 2HB GLU 78 -2.522 17.710 3.207 624 HG2 GLU 78 1HG GLU 78 -3.497 15.363 1.567 625 HG3 GLU 78 2HG GLU 78 -4.249 15.857 3.064 626 H LEU 79 H LEU 79 0.762 15.647 2.209 627 HA LEU 79 HA LEU 79 2.331 17.814 3.380 628 HG LEU 79 HG LEU 79 1.275 14.922 4.424 629 HB2 LEU 79 1HB LEU 79 3.150 14.930 2.874 630 HB3 LEU 79 2HB LEU 79 4.009 16.094 3.877 631 HD11 LEU 79 1HD1 LEU 79 3.891 14.472 5.866 632 HD12 LEU 79 2HD1 LEU 79 3.046 13.317 4.835 633 HD13 LEU 79 3HD1 LEU 79 2.318 13.831 6.355 634 HD21 LEU 79 3HD2 LEU 79 1.327 16.091 6.596 635 HD22 LEU 79 1HD2 LEU 79 1.325 17.229 5.252 636 HD23 LEU 79 2HD2 LEU 79 2.822 16.903 6.129 637 H GLY 80 H GLY 80 1.754 16.908 0.257 638 HA2 GLY 80 1HA GLY 80 2.616 18.203 -1.515 639 HA3 GLY 80 2HA GLY 80 4.151 18.356 -0.682 640 H TYR 81 H TYR 81 3.398 15.161 -0.346 641 HA TYR 81 HA TYR 81 5.150 14.327 -2.538 642 HD1 TYR 81 HD1 TYR 81 7.248 13.444 -1.247 643 HD2 TYR 81 HD2 TYR 81 4.137 13.230 1.683 644 HE1 TYR 81 HE1 TYR 81 8.851 14.034 0.507 645 HE2 TYR 81 HE2 TYR 81 5.760 13.825 3.437 646 HH TYR 81 HH TYR 81 8.830 15.063 2.733 647 HB2 TYR 81 1HB TYR 81 3.644 12.593 -0.536 648 HB3 TYR 81 2HB TYR 81 4.977 12.081 -1.568 649 H THR 82 H THR 82 4.375 12.252 -3.802 650 HA THR 82 HA THR 82 1.508 12.220 -4.415 651 HB THR 82 HB THR 82 2.124 12.184 -6.969 652 HG1 THR 82 HG1 THR 82 4.303 12.166 -6.966 653 HG21 THR 82 3HG2 THR 82 1.955 14.635 -7.205 654 HG22 THR 82 1HG2 THR 82 2.307 14.830 -5.486 655 HG23 THR 82 2HG2 THR 82 0.819 14.030 -5.996 656 HA PRO 83 HA PRO 83 3.308 7.864 -4.634 657 HB2 PRO 83 1HB PRO 83 2.017 6.785 -2.493 658 HB3 PRO 83 2HB PRO 83 3.560 7.637 -2.307 659 HG2 PRO 83 1HG PRO 83 0.756 8.705 -1.899 660 HG3 PRO 83 2HG PRO 83 2.160 8.808 -0.810 661 HD2 PRO 83 1HD PRO 83 1.499 10.869 -2.421 662 HD3 PRO 83 2HD PRO 83 3.197 10.476 -2.080 663 H TYR 84 H TYR 84 2.044 5.986 -5.172 664 HA TYR 84 HA TYR 84 -0.736 6.400 -6.039 665 HD1 TYR 84 HD2 TYR 84 -0.730 6.257 -8.710 666 HD2 TYR 84 HD1 TYR 84 3.069 4.648 -7.552 667 HE1 TYR 84 HE2 TYR 84 0.332 7.349 -10.632 668 HE2 TYR 84 HE1 TYR 84 4.113 5.755 -9.475 669 HH TYR 84 HH TYR 84 3.368 6.571 -11.750 670 HB2 TYR 84 1HB TYR 84 1.093 3.967 -6.360 671 HB3 TYR 84 2HB TYR 84 -0.483 4.182 -7.126 672 H TYR 85 H TYR 85 -2.222 4.435 -5.584 673 HA TYR 85 HA TYR 85 -1.627 2.922 -3.173 674 HD1 TYR 85 HD2 TYR 85 -3.405 6.683 -3.943 675 HD2 TYR 85 HD1 TYR 85 -5.912 3.395 -2.857 676 HE1 TYR 85 HE2 TYR 85 -5.354 7.854 -4.844 677 HE2 TYR 85 HE1 TYR 85 -7.861 4.580 -3.770 678 HH TYR 85 HH TYR 85 -7.560 7.420 -5.680 679 HB2 TYR 85 1HB TYR 85 -3.642 3.558 -1.956 680 HB3 TYR 85 2HB TYR 85 -2.660 4.978 -2.256 681 H LEU 86 H LEU 86 -3.243 1.229 -2.800 682 HA LEU 86 HA LEU 86 -4.412 0.287 -5.347 683 HG LEU 86 HG LEU 86 -2.643 -3.005 -5.250 684 HB2 LEU 86 1HB LEU 86 -2.202 -0.768 -4.669 685 HB3 LEU 86 2HB LEU 86 -3.006 -1.434 -3.265 686 HD11 LEU 86 1HD1 LEU 86 -4.752 -4.191 -5.061 687 HD12 LEU 86 2HD1 LEU 86 -5.516 -2.769 -4.349 688 HD13 LEU 86 3HD1 LEU 86 -4.230 -3.606 -3.481 689 HD21 LEU 86 3HD2 LEU 86 -4.169 -2.895 -7.134 690 HD22 LEU 86 1HD2 LEU 86 -3.198 -1.429 -7.030 691 HD23 LEU 86 2HD2 LEU 86 -4.882 -1.411 -6.500 692 H GLU 87 H GLU 87 -6.505 0.273 -5.136 693 HA GLU 87 HA GLU 87 -7.844 -0.628 -2.667 694 HB2 GLU 87 1HB GLU 87 -9.015 0.412 -5.292 695 HB3 GLU 87 2HB GLU 87 -9.941 -0.015 -3.855 696 HG2 GLU 87 1HG GLU 87 -8.606 1.794 -2.624 697 HG3 GLU 87 2HG GLU 87 -8.021 2.303 -4.209 698 H GLY 88 H GLY 88 -7.864 -2.780 -2.485 699 HA2 GLY 88 1HA GLY 88 -9.150 -4.528 -4.285 700 HA3 GLY 88 2HA GLY 88 -7.410 -4.671 -4.506 701 H ASN 89 H ASN 89 -9.226 -6.683 -3.545 702 HA ASN 89 HA ASN 89 -9.141 -6.928 -0.695 703 HB2 ASN 89 1HB ASN 89 -9.695 -9.006 -2.857 704 HB3 ASN 89 2HB ASN 89 -9.941 -9.267 -1.131 705 HD21 ASN 89 2HD2 ASN 89 -11.707 -8.311 -0.123 706 HD22 ASN 89 1HD2 ASN 89 -12.985 -7.551 -0.994 707 H VAL 90 H VAL 90 -7.453 -7.529 0.526 708 HA VAL 90 HA VAL 90 -4.892 -7.847 -0.566 709 HB VAL 90 HB VAL 90 -5.381 -6.868 1.689 710 HG11 VAL 90 1HG1 VAL 90 -6.913 -8.548 2.584 711 HG12 VAL 90 2HG1 VAL 90 -5.548 -8.311 3.674 712 HG13 VAL 90 3HG1 VAL 90 -5.609 -9.738 2.635 713 HG21 VAL 90 3HG2 VAL 90 -3.312 -7.579 2.759 714 HG22 VAL 90 1HG2 VAL 90 -3.078 -7.428 1.014 715 HG23 VAL 90 2HG2 VAL 90 -3.266 -9.020 1.746 716 H TYR 91 H TYR 91 -7.224 -10.252 0.404 717 HA TYR 91 HA TYR 91 -5.378 -12.482 0.491 718 HD1 TYR 91 HD1 TYR 91 -6.121 -13.533 3.135 719 HD2 TYR 91 HD2 TYR 91 -9.078 -10.755 1.808 720 HE1 TYR 91 HE1 TYR 91 -6.268 -12.596 5.403 721 HE2 TYR 91 HE2 TYR 91 -9.211 -9.811 4.064 722 HH TYR 91 HH TYR 91 -6.942 -10.581 6.528 723 HB2 TYR 91 1HB TYR 91 -8.430 -12.571 0.358 724 HB3 TYR 91 2HB TYR 91 -7.353 -13.847 0.933 725 H ASP 92 H ASP 92 -7.301 -10.869 -1.901 726 HA ASP 92 HA ASP 92 -7.410 -13.060 -3.794 727 HB2 ASP 92 1HB ASP 92 -8.326 -10.175 -3.916 728 HB3 ASP 92 2HB ASP 92 -8.289 -11.158 -5.378 729 H PHE 93 H PHE 93 -5.070 -10.693 -3.013 730 HA PHE 93 HA PHE 93 -3.797 -10.224 -5.474 731 HD1 PHE 93 HD2 PHE 93 -4.825 -8.479 -4.492 732 HD2 PHE 93 HD1 PHE 93 -1.611 -8.405 -1.694 733 HE1 PHE 93 HE2 PHE 93 -5.555 -6.268 -3.715 734 HE2 PHE 93 HE1 PHE 93 -2.336 -6.201 -0.925 735 HZ PHE 93 HZ PHE 93 -4.308 -5.117 -1.926 736 HB2 PHE 93 1HB PHE 93 -2.475 -10.579 -2.749 737 HB3 PHE 93 2HB PHE 93 -1.724 -9.827 -4.148 738 H GLU 94 H GLU 94 -3.522 -12.871 -3.176 739 HA GLU 94 HA GLU 94 -1.278 -14.183 -4.290 740 HB2 GLU 94 1HB GLU 94 -2.472 -14.286 -1.891 741 HB3 GLU 94 2HB GLU 94 -3.302 -15.664 -2.597 742 HG2 GLU 94 1HG GLU 94 -0.289 -15.358 -2.351 743 HG3 GLU 94 2HG GLU 94 -1.308 -16.266 -1.240 744 H LYS 95 H LYS 95 -4.792 -14.847 -4.551 745 HA LYS 95 HA LYS 95 -4.481 -17.038 -6.383 746 HB2 LYS 95 1HB LYS 95 -6.966 -16.871 -6.700 747 HB3 LYS 95 2HB LYS 95 -6.472 -17.033 -5.021 748 HG2 LYS 95 1HG LYS 95 -6.823 -14.642 -4.656 749 HG3 LYS 95 2HG LYS 95 -7.264 -14.426 -6.348 750 HD2 LYS 95 1HD LYS 95 -8.797 -16.234 -4.434 751 HD3 LYS 95 2HD LYS 95 -9.215 -14.546 -4.720 752 HE2 LYS 95 1HE LYS 95 -9.572 -15.050 -7.120 753 HE3 LYS 95 2HE LYS 95 -9.192 -16.746 -6.816 754 HZ1 LYS 95 3HZ LYS 95 -11.571 -16.372 -6.863 755 HZ2 LYS 95 1HZ LYS 95 -11.450 -15.230 -5.623 756 HZ3 LYS 95 2HZ LYS 95 -11.089 -16.853 -5.318 757 H TYR 96 H TYR 96 -4.624 -13.564 -6.803 758 HA TYR 96 HA TYR 96 -5.102 -13.582 -9.645 759 HD1 TYR 96 HD1 TYR 96 -6.966 -12.532 -7.641 760 HD2 TYR 96 HD2 TYR 96 -5.292 -9.687 -10.359 761 HE1 TYR 96 HE1 TYR 96 -9.212 -11.668 -8.129 762 HE2 TYR 96 HE2 TYR 96 -7.540 -8.825 -10.838 763 HH TYR 96 HH TYR 96 -9.882 -9.640 -10.744 764 HB2 TYR 96 1HB TYR 96 -4.312 -11.502 -7.632 765 HB3 TYR 96 2HB TYR 96 -3.832 -11.182 -9.295 766 H GLY 97 H GLY 97 -2.327 -14.111 -7.617 767 HA2 GLY 97 1HA GLY 97 -0.757 -15.672 -8.819 768 HA3 GLY 97 2HA GLY 97 -0.611 -14.418 -10.046 769 H PHE 98 H PHE 98 -0.829 -12.478 -7.623 770 HA PHE 98 HA PHE 98 2.016 -12.141 -7.219 771 HD1 PHE 98 HD1 PHE 98 2.437 -9.501 -8.214 772 HD2 PHE 98 HD2 PHE 98 -1.777 -10.074 -7.729 773 HE1 PHE 98 HE1 PHE 98 2.017 -8.197 -10.260 774 HE2 PHE 98 HE2 PHE 98 -2.182 -8.774 -9.772 775 HZ PHE 98 HZ PHE 98 -0.289 -7.833 -11.041 776 HB2 PHE 98 1HB PHE 98 -0.308 -10.632 -5.941 777 HB3 PHE 98 2HB PHE 98 1.374 -10.122 -5.964 778 H ARG 99 H ARG 99 2.824 -13.778 -5.956 779 HA ARG 99 HA ARG 99 1.642 -15.156 -3.864 780 HE ARG 99 HE ARG 99 7.446 -13.642 -5.047 781 HB2 ARG 99 1HB ARG 99 3.899 -15.795 -3.146 782 HB3 ARG 99 2HB ARG 99 3.780 -15.836 -4.903 783 HG2 ARG 99 1HG ARG 99 5.053 -13.834 -5.151 784 HG3 ARG 99 2HG ARG 99 4.905 -13.431 -3.441 785 HD2 ARG 99 1HD ARG 99 6.365 -15.231 -2.813 786 HD3 ARG 99 2HD ARG 99 6.376 -15.865 -4.458 787 HH11 ARG 99 1HH1 ARG 99 7.984 -15.177 -1.934 788 HH12 ARG 99 2HH1 ARG 99 9.528 -14.419 -1.701 789 HH21 ARG 99 1HH2 ARG 99 9.454 -12.655 -4.725 790 HH22 ARG 99 2HH2 ARG 99 10.351 -12.978 -3.272 791 H MET 100 H MET 100 2.128 -15.102 -1.554 792 HA MET 100 HA MET 100 2.631 -12.468 -0.362 793 HB2 MET 100 1HB MET 100 0.023 -13.950 0.214 794 HB3 MET 100 2HB MET 100 0.529 -12.402 0.879 795 HG2 MET 100 1HG MET 100 0.462 -11.510 -1.510 796 HG3 MET 100 2HG MET 100 -0.350 -13.013 -1.943 797 HE1 MET 100 3HE MET 100 -2.004 -9.839 0.902 798 HE2 MET 100 1HE MET 100 -0.546 -9.642 -0.064 799 HE3 MET 100 2HE MET 100 -0.577 -10.791 1.280 800 H VAL 101 H VAL 101 3.405 -12.598 1.699 801 HA VAL 101 HA VAL 101 4.098 -15.271 2.694 802 HB VAL 101 HB VAL 101 5.182 -12.594 3.678 803 HG11 VAL 101 1HG1 VAL 101 7.054 -13.954 4.553 804 HG12 VAL 101 2HG1 VAL 101 6.257 -15.421 3.976 805 HG13 VAL 101 3HG1 VAL 101 5.507 -14.450 5.241 806 HG21 VAL 101 3HG2 VAL 101 7.169 -12.986 2.237 807 HG22 VAL 101 1HG2 VAL 101 5.700 -12.780 1.282 808 HG23 VAL 101 2HG2 VAL 101 6.372 -14.393 1.526 809 H TYR 102 H TYR 102 2.605 -16.055 3.974 810 HA TYR 102 HA TYR 102 1.033 -14.491 5.878 811 HD1 TYR 102 HD2 TYR 102 0.864 -15.835 2.788 812 HD2 TYR 102 HD1 TYR 102 -2.251 -16.583 5.616 813 HE1 TYR 102 HE2 TYR 102 -0.814 -15.310 1.082 814 HE2 TYR 102 HE1 TYR 102 -3.928 -16.057 3.900 815 HH TYR 102 HH TYR 102 -3.169 -15.786 0.594 816 HB2 TYR 102 1HB TYR 102 1.022 -17.454 5.109 817 HB3 TYR 102 2HB TYR 102 -0.025 -16.775 6.346 818 H ASP 103 H ASP 103 0.978 -15.016 8.149 819 HA ASP 103 HA ASP 103 1.719 -15.570 10.205 820 HB2 ASP 103 1HB ASP 103 2.921 -17.940 8.716 821 HB3 ASP 103 2HB ASP 103 2.895 -17.807 10.467 822 H ASP 104 H ASP 104 3.481 -13.927 8.398 823 HA ASP 104 HA ASP 104 6.204 -14.491 9.308 824 HB2 ASP 104 1HB ASP 104 5.724 -13.808 6.943 825 HB3 ASP 104 2HB ASP 104 5.185 -12.244 7.521 826 H THR 105 H THR 105 5.671 -14.175 11.525 827 HA THR 105 HA THR 105 4.881 -11.580 12.517 828 HB THR 105 HB THR 105 5.090 -12.609 14.766 829 HG1 THR 105 HG1 THR 105 5.976 -14.590 15.061 830 HG21 THR 105 3HG2 THR 105 3.386 -14.390 14.544 831 HG22 THR 105 1HG2 THR 105 3.653 -14.433 12.800 832 HG23 THR 105 2HG2 THR 105 2.980 -12.988 13.557 833 H CYS 106 H CYS 106 7.740 -13.647 12.884 834 HA CYS 106 HA CYS 106 9.576 -11.377 12.802 835 HG CYS 106 HG CYS 106 8.205 -10.238 14.824 836 HB2 CYS 106 1HB CYS 106 9.467 -13.309 15.170 837 HB3 CYS 106 2HB CYS 106 10.713 -12.093 14.904 838 H ASP 107 H ASP 107 11.881 -12.272 12.910 839 HA ASP 107 HA ASP 107 12.140 -14.469 11.001 840 HB2 ASP 107 1HB ASP 107 14.479 -13.695 10.780 841 HB3 ASP 107 2HB ASP 107 13.355 -12.356 10.596 842 H LYS 108 H LYS 108 11.313 -15.172 13.660 843 HA LYS 108 HA LYS 108 13.457 -16.264 15.212 844 HB2 LYS 108 1HB LYS 108 11.616 -17.203 16.604 845 HB3 LYS 108 2HB LYS 108 11.427 -15.484 16.298 846 HG2 LYS 108 1HG LYS 108 9.812 -16.137 14.413 847 HG3 LYS 108 2HG LYS 108 9.855 -17.768 15.081 848 HD2 LYS 108 1HD LYS 108 9.031 -15.312 16.685 849 HD3 LYS 108 2HD LYS 108 7.888 -16.333 15.821 850 HE2 LYS 108 1HE LYS 108 7.827 -17.017 18.114 851 HE3 LYS 108 2HE LYS 108 8.696 -18.274 17.242 852 HZ1 LYS 108 3HZ LYS 108 9.705 -17.668 19.391 853 HZ2 LYS 108 1HZ LYS 108 10.005 -16.112 18.801 854 HZ3 LYS 108 2HZ LYS 108 10.762 -17.447 18.093 855 H LYS 109 H LYS 109 12.162 -17.270 12.349 856 HA LYS 109 HA LYS 109 13.257 -19.982 12.646 857 HB2 LYS 109 1HB LYS 109 11.397 -20.866 11.211 858 HB3 LYS 109 2HB LYS 109 10.847 -20.297 12.781 859 HG2 LYS 109 1HG LYS 109 10.060 -18.176 11.711 860 HG3 LYS 109 2HG LYS 109 10.555 -18.814 10.140 861 HD2 LYS 109 1HD LYS 109 8.141 -19.125 10.439 862 HD3 LYS 109 2HD LYS 109 8.951 -20.691 10.396 863 HE2 LYS 109 1HE LYS 109 8.871 -20.751 12.897 864 HE3 LYS 109 2HE LYS 109 7.951 -19.244 12.870 865 HZ1 LYS 109 3HZ LYS 109 6.466 -21.091 13.070 866 HZ2 LYS 109 1HZ LYS 109 7.126 -21.845 11.709 867 HZ3 LYS 109 2HZ LYS 109 6.260 -20.409 11.540 868 H ASN 110 H ASN 110 13.562 -20.949 10.350 869 HA ASN 110 HA ASN 110 14.398 -18.875 8.414 870 HB2 ASN 110 1HB ASN 110 16.392 -19.479 9.752 871 HB3 ASN 110 2HB ASN 110 16.149 -21.186 9.394 872 HD21 ASN 110 2HD2 ASN 110 16.961 -18.057 7.980 873 HD22 ASN 110 1HD2 ASN 110 17.780 -18.682 6.591 Start of MODEL 8 1 HA MET 1 HA MET 1 -4.843 16.018 -7.412 2 H1 MET 1 1H MET 1 -6.983 15.270 -8.124 3 H2 MET 1 2H MET 1 -7.127 16.576 -7.062 4 H3 MET 1 3H MET 1 -7.470 15.010 -6.531 5 HB2 MET 1 1HB MET 1 -5.848 15.324 -4.618 6 HB3 MET 1 2HB MET 1 -4.178 15.707 -5.007 7 HG2 MET 1 1HG MET 1 -6.519 17.596 -5.338 8 HG3 MET 1 2HG MET 1 -5.365 17.618 -4.003 9 HE1 MET 1 3HE MET 1 -2.057 18.775 -5.730 10 HE2 MET 1 1HE MET 1 -2.557 17.134 -5.319 11 HE3 MET 1 2HE MET 1 -2.870 18.458 -4.196 12 H LEU 2 H LEU 2 -5.786 13.368 -5.151 13 HA LEU 2 HA LEU 2 -3.780 11.708 -6.473 14 HG LEU 2 HG LEU 2 -6.181 10.047 -4.153 15 HB2 LEU 2 1HB LEU 2 -3.650 10.376 -4.580 16 HB3 LEU 2 2HB LEU 2 -3.854 11.997 -3.952 17 HD11 LEU 2 1HD1 LEU 2 -5.793 9.442 -1.821 18 HD12 LEU 2 2HD1 LEU 2 -4.335 10.440 -1.783 19 HD13 LEU 2 3HD1 LEU 2 -4.402 9.008 -2.815 20 HD21 LEU 2 3HD2 LEU 2 -7.199 11.447 -2.427 21 HD22 LEU 2 1HD2 LEU 2 -6.788 12.412 -3.842 22 HD23 LEU 2 2HD2 LEU 2 -5.773 12.491 -2.401 23 H GLU 3 H GLU 3 -7.072 12.046 -6.961 24 HA GLU 3 HA GLU 3 -8.006 9.378 -6.822 25 HB2 GLU 3 1HB GLU 3 -9.981 10.067 -8.028 26 HB3 GLU 3 2HB GLU 3 -9.547 11.332 -6.892 27 HG2 GLU 3 1HG GLU 3 -8.901 11.411 -9.854 28 HG3 GLU 3 2HG GLU 3 -10.338 12.134 -9.143 29 H ASP 4 H ASP 4 -6.273 11.065 -9.377 30 HA ASP 4 HA ASP 4 -6.584 9.096 -11.439 31 HB2 ASP 4 1HB ASP 4 -4.510 11.274 -10.991 32 HB3 ASP 4 2HB ASP 4 -4.471 10.212 -12.396 33 H TYR 5 H TYR 5 -4.514 9.315 -8.666 34 HA TYR 5 HA TYR 5 -2.579 7.315 -9.517 35 HD1 TYR 5 HD1 TYR 5 -3.320 10.829 -8.284 36 HD2 TYR 5 HD2 TYR 5 0.359 8.654 -8.092 37 HE1 TYR 5 HE1 TYR 5 -2.104 12.817 -9.051 38 HE2 TYR 5 HE2 TYR 5 1.568 10.650 -8.858 39 HH TYR 5 HH TYR 5 1.059 12.763 -10.145 40 HB2 TYR 5 1HB TYR 5 -2.982 8.654 -6.798 41 HB3 TYR 5 2HB TYR 5 -1.619 7.626 -7.235 42 H ALA 6 H ALA 6 -5.723 7.046 -8.587 43 HA ALA 6 HA ALA 6 -5.708 4.869 -6.737 44 HB1 ALA 6 3HB ALA 6 -7.903 5.747 -8.655 45 HB2 ALA 6 1HB ALA 6 -7.673 6.327 -7.005 46 HB3 ALA 6 2HB ALA 6 -8.105 4.642 -7.290 47 H ILE 7 H ILE 7 -4.895 2.926 -7.222 48 HA ILE 7 HA ILE 7 -5.235 1.786 -9.939 49 HB ILE 7 HB ILE 7 -3.229 0.985 -7.774 50 HG12 ILE 7 1HG1 ILE 7 -2.849 2.695 -10.292 51 HG13 ILE 7 2HG1 ILE 7 -2.685 3.237 -8.628 52 HG21 ILE 7 1HG2 ILE 7 -3.824 -0.879 -9.292 53 HG22 ILE 7 2HG2 ILE 7 -2.160 -0.364 -9.550 54 HG23 ILE 7 3HG2 ILE 7 -3.418 0.116 -10.693 55 HD11 ILE 7 3HD1 ILE 7 -0.535 2.987 -9.655 56 HD12 ILE 7 1HD1 ILE 7 -0.877 1.308 -10.067 57 HD13 ILE 7 2HD1 ILE 7 -0.718 1.789 -8.378 58 H SER 8 H SER 8 -6.646 0.156 -10.124 59 HA SER 8 HA SER 8 -7.833 -1.142 -7.788 60 HG SER 8 HG SER 8 -8.932 0.616 -10.157 61 HB2 SER 8 1HB SER 8 -8.446 -1.473 -10.755 62 HB3 SER 8 2HB SER 8 -9.421 -2.077 -9.417 63 H LEU 9 H LEU 9 -8.045 -3.538 -7.763 64 HA LEU 9 HA LEU 9 -5.453 -4.734 -7.891 65 HG LEU 9 HG LEU 9 -6.817 -7.830 -7.565 66 HB2 LEU 9 1HB LEU 9 -6.995 -5.186 -6.072 67 HB3 LEU 9 2HB LEU 9 -8.182 -5.853 -7.178 68 HD11 LEU 9 1HD1 LEU 9 -4.662 -8.217 -6.412 69 HD12 LEU 9 2HD1 LEU 9 -4.675 -6.545 -5.843 70 HD13 LEU 9 3HD1 LEU 9 -4.575 -6.892 -7.570 71 HD21 LEU 9 3HD2 LEU 9 -8.258 -7.852 -5.585 72 HD22 LEU 9 1HD2 LEU 9 -6.941 -7.199 -4.601 73 HD23 LEU 9 2HD2 LEU 9 -6.802 -8.807 -5.319 74 H GLU 10 H GLU 10 -8.130 -4.758 -10.092 75 HA GLU 10 HA GLU 10 -7.116 -7.034 -11.640 76 HB2 GLU 10 1HB GLU 10 -9.133 -6.557 -13.143 77 HB3 GLU 10 2HB GLU 10 -9.468 -7.152 -11.530 78 HG2 GLU 10 1HG GLU 10 -9.553 -4.189 -12.082 79 HG3 GLU 10 2HG GLU 10 -10.909 -5.212 -12.542 80 H GLU 11 H GLU 11 -6.101 -3.975 -11.416 81 HA GLU 11 HA GLU 11 -5.051 -4.033 -14.177 82 HB2 GLU 11 1HB GLU 11 -5.284 -1.592 -14.403 83 HB3 GLU 11 2HB GLU 11 -6.860 -2.329 -14.141 84 HG2 GLU 11 1HG GLU 11 -6.807 -1.634 -11.776 85 HG3 GLU 11 2HG GLU 11 -5.222 -0.909 -12.008 86 H VAL 12 H VAL 12 -4.206 -4.457 -11.118 87 HA VAL 12 HA VAL 12 -2.045 -2.503 -10.856 88 HB VAL 12 HB VAL 12 -3.470 -3.219 -8.885 89 HG11 VAL 12 1HG1 VAL 12 -3.612 -5.633 -9.332 90 HG12 VAL 12 2HG1 VAL 12 -2.986 -5.319 -7.716 91 HG13 VAL 12 3HG1 VAL 12 -1.885 -5.812 -9.004 92 HG21 VAL 12 3HG2 VAL 12 -1.611 -3.273 -7.254 93 HG22 VAL 12 1HG2 VAL 12 -1.338 -2.077 -8.523 94 HG23 VAL 12 2HG2 VAL 12 -0.472 -3.615 -8.561 95 H ASN 13 H ASN 13 0.148 -3.011 -10.743 96 HA ASN 13 HA ASN 13 1.059 -5.792 -11.135 97 HB2 ASN 13 1HB ASN 13 2.280 -3.346 -12.507 98 HB3 ASN 13 2HB ASN 13 2.896 -4.991 -12.608 99 HD21 ASN 13 2HD2 ASN 13 0.343 -2.822 -13.592 100 HD22 ASN 13 1HD2 ASN 13 -0.231 -3.779 -14.906 101 H PHE 14 H PHE 14 1.450 -5.903 -8.882 102 HA PHE 14 HA PHE 14 2.624 -3.915 -7.283 103 HD1 PHE 14 HD2 PHE 14 1.534 -3.937 -4.945 104 HD2 PHE 14 HD1 PHE 14 0.328 -7.538 -6.869 105 HE1 PHE 14 HE2 PHE 14 -0.739 -3.660 -4.054 106 HE2 PHE 14 HE1 PHE 14 -1.937 -7.263 -5.981 107 HZ PHE 14 HZ PHE 14 -2.476 -5.324 -4.572 108 HB2 PHE 14 1HB PHE 14 2.614 -6.940 -6.918 109 HB3 PHE 14 2HB PHE 14 3.204 -5.825 -5.688 110 H ASN 15 H ASN 15 4.107 -6.267 -9.361 111 HA ASN 15 HA ASN 15 6.809 -6.121 -8.491 112 HB2 ASN 15 1HB ASN 15 7.313 -7.238 -10.647 113 HB3 ASN 15 2HB ASN 15 5.938 -7.989 -9.844 114 HD21 ASN 15 2HD2 ASN 15 7.013 -6.307 -12.644 115 HD22 ASN 15 1HD2 ASN 15 5.514 -6.323 -13.498 116 H ASP 16 H ASP 16 4.905 -3.860 -10.218 117 HA ASP 16 HA ASP 16 7.069 -2.598 -11.701 118 HB2 ASP 16 1HB ASP 16 4.742 -2.807 -12.651 119 HB3 ASP 16 2HB ASP 16 4.150 -1.747 -11.385 120 H PHE 17 H PHE 17 5.459 -2.211 -8.606 121 HA PHE 17 HA PHE 17 6.755 0.450 -8.180 122 HD1 PHE 17 HD1 PHE 17 2.936 -1.582 -8.321 123 HD2 PHE 17 HD2 PHE 17 4.213 2.418 -9.022 124 HE1 PHE 17 HE1 PHE 17 1.332 -1.393 -10.171 125 HE2 PHE 17 HE2 PHE 17 2.629 2.606 -10.873 126 HZ PHE 17 HZ PHE 17 1.184 0.687 -11.461 127 HB2 PHE 17 1HB PHE 17 4.263 -0.328 -6.623 128 HB3 PHE 17 2HB PHE 17 4.887 1.266 -6.981 129 H ILE 18 H ILE 18 7.617 0.791 -6.015 130 HA ILE 18 HA ILE 18 8.145 -1.521 -4.350 131 HB ILE 18 HB ILE 18 8.564 1.446 -3.715 132 HG12 ILE 18 1HG1 ILE 18 10.539 -0.677 -4.712 133 HG13 ILE 18 2HG1 ILE 18 9.960 0.708 -5.628 134 HG21 ILE 18 1HG2 ILE 18 10.029 0.660 -1.863 135 HG22 ILE 18 2HG2 ILE 18 9.595 -1.010 -2.223 136 HG23 ILE 18 3HG2 ILE 18 8.366 0.115 -1.645 137 HD11 ILE 18 3HD1 ILE 18 11.724 0.782 -3.188 138 HD12 ILE 18 1HD1 ILE 18 11.104 2.198 -4.040 139 HD13 ILE 18 2HD1 ILE 18 12.198 1.087 -4.858 140 H VAL 19 H VAL 19 6.612 -2.385 -3.080 141 HA VAL 19 HA VAL 19 4.091 -0.923 -2.765 142 HB VAL 19 HB VAL 19 4.622 -3.831 -1.988 143 HG11 VAL 19 1HG1 VAL 19 2.500 -2.884 -1.194 144 HG12 VAL 19 2HG1 VAL 19 2.214 -4.127 -2.409 145 HG13 VAL 19 3HG1 VAL 19 2.066 -2.423 -2.842 146 HG21 VAL 19 3HG2 VAL 19 3.871 -4.528 -4.236 147 HG22 VAL 19 1HG2 VAL 19 5.359 -3.582 -4.323 148 HG23 VAL 19 2HG2 VAL 19 3.815 -2.840 -4.751 149 H VAL 20 H VAL 20 3.031 -0.794 -0.708 150 HA VAL 20 HA VAL 20 4.640 -1.255 1.724 151 HB VAL 20 HB VAL 20 3.104 1.313 1.074 152 HG11 VAL 20 1HG1 VAL 20 2.707 0.693 3.423 153 HG12 VAL 20 2HG1 VAL 20 3.713 2.136 3.319 154 HG13 VAL 20 3HG1 VAL 20 4.446 0.573 3.707 155 HG21 VAL 20 3HG2 VAL 20 5.355 1.270 0.088 156 HG22 VAL 20 1HG2 VAL 20 6.066 0.918 1.665 157 HG23 VAL 20 2HG2 VAL 20 5.263 2.464 1.379 158 H ASP 21 H ASP 21 3.504 -2.462 3.108 159 HA ASP 21 HA ASP 21 0.651 -2.890 2.890 160 HB2 ASP 21 1HB ASP 21 2.439 -4.596 3.732 161 HB3 ASP 21 2HB ASP 21 2.473 -3.677 5.232 162 H VAL 22 H VAL 22 -0.546 -1.054 3.362 163 HA VAL 22 HA VAL 22 0.139 0.528 5.773 164 HB VAL 22 HB VAL 22 -1.555 2.238 4.858 165 HG11 VAL 22 1HG1 VAL 22 0.088 3.255 3.312 166 HG12 VAL 22 2HG1 VAL 22 0.962 1.726 3.216 167 HG13 VAL 22 3HG1 VAL 22 0.882 2.601 4.746 168 HG21 VAL 22 3HG2 VAL 22 -2.674 0.709 3.224 169 HG22 VAL 22 1HG2 VAL 22 -1.192 0.669 2.264 170 HG23 VAL 22 2HG2 VAL 22 -2.077 2.186 2.457 171 H ARG 23 H ARG 23 -0.667 -0.984 7.227 172 HA ARG 23 HA ARG 23 -3.562 -0.757 7.647 173 HE ARG 23 HE ARG 23 -1.956 -4.906 5.364 174 HB2 ARG 23 1HB ARG 23 -2.246 -3.533 7.489 175 HB3 ARG 23 2HB ARG 23 -3.862 -3.215 8.099 176 HG2 ARG 23 1HG ARG 23 -4.607 -2.446 5.901 177 HG3 ARG 23 2HG ARG 23 -2.977 -2.619 5.248 178 HD2 ARG 23 1HD ARG 23 -4.738 -4.869 6.272 179 HD3 ARG 23 2HD ARG 23 -4.447 -4.471 4.578 180 HH11 ARG 23 1HH1 ARG 23 -4.786 -6.793 6.301 181 HH12 ARG 23 2HH1 ARG 23 -3.914 -8.292 6.301 182 HH21 ARG 23 1HH2 ARG 23 -0.860 -6.841 5.403 183 HH22 ARG 23 2HH2 ARG 23 -1.675 -8.312 5.826 184 H GLU 24 H GLU 24 -1.246 -3.029 9.119 185 HA GLU 24 HA GLU 24 -0.751 -1.466 11.447 186 HB2 GLU 24 1HB GLU 24 -3.342 -2.435 11.460 187 HB3 GLU 24 2HB GLU 24 -2.522 -3.801 12.195 188 HG2 GLU 24 1HG GLU 24 -3.330 -2.441 13.971 189 HG3 GLU 24 2HG GLU 24 -1.582 -2.191 13.917 190 H LEU 25 H LEU 25 0.171 -2.960 13.223 191 HA LEU 25 HA LEU 25 2.300 -4.488 12.195 192 HG LEU 25 HG LEU 25 2.605 -6.300 14.927 193 HB2 LEU 25 1HB LEU 25 2.438 -3.315 14.334 194 HB3 LEU 25 2HB LEU 25 1.141 -4.292 14.996 195 HD11 LEU 25 1HD1 LEU 25 4.792 -4.421 13.975 196 HD12 LEU 25 2HD1 LEU 25 4.067 -5.736 13.048 197 HD13 LEU 25 3HD1 LEU 25 5.022 -6.096 14.485 198 HD21 LEU 25 3HD2 LEU 25 4.106 -5.659 16.768 199 HD22 LEU 25 1HD2 LEU 25 2.504 -4.958 16.980 200 HD23 LEU 25 2HD2 LEU 25 3.838 -3.952 16.409 201 H ASP 26 H ASP 26 -0.652 -5.527 13.963 202 HA ASP 26 HA ASP 26 -0.133 -8.296 13.925 203 HB2 ASP 26 1HB ASP 26 -2.439 -8.622 14.642 204 HB3 ASP 26 2HB ASP 26 -1.781 -7.214 15.465 205 H GLU 27 H GLU 27 -1.907 -6.224 11.647 206 HA GLU 27 HA GLU 27 -2.944 -8.314 10.017 207 HB2 GLU 27 1HB GLU 27 -2.651 -5.328 9.597 208 HB3 GLU 27 2HB GLU 27 -3.225 -6.372 8.298 209 HG2 GLU 27 1HG GLU 27 -4.979 -7.211 9.946 210 HG3 GLU 27 2HG GLU 27 -4.528 -5.857 10.974 211 H TYR 28 H TYR 28 0.019 -6.391 9.820 212 HA TYR 28 HA TYR 28 1.030 -7.339 7.373 213 HD1 TYR 28 HD2 TYR 28 3.633 -5.920 6.416 214 HD2 TYR 28 HD1 TYR 28 4.283 -7.832 10.194 215 HE1 TYR 28 HE2 TYR 28 5.912 -6.555 5.724 216 HE2 TYR 28 HE1 TYR 28 6.538 -8.460 9.487 217 HH TYR 28 HH TYR 28 7.792 -8.809 7.528 218 HB2 TYR 28 1HB TYR 28 2.113 -5.471 8.390 219 HB3 TYR 28 2HB TYR 28 2.364 -6.330 9.904 220 H GLU 29 H GLU 29 1.345 -8.566 10.670 221 HA GLU 29 HA GLU 29 3.310 -10.529 10.157 222 HB2 GLU 29 1HB GLU 29 1.382 -10.219 12.487 223 HB3 GLU 29 2HB GLU 29 2.731 -11.350 12.463 224 HG2 GLU 29 1HG GLU 29 4.332 -9.507 12.306 225 HG3 GLU 29 2HG GLU 29 3.017 -8.337 12.215 226 H GLU 30 H GLU 30 -0.253 -10.815 10.500 227 HA GLU 30 HA GLU 30 -0.337 -13.643 10.205 228 HB2 GLU 30 1HB GLU 30 -2.794 -13.298 9.685 229 HB3 GLU 30 2HB GLU 30 -2.237 -12.595 11.197 230 HG2 GLU 30 1HG GLU 30 -2.183 -10.377 10.205 231 HG3 GLU 30 2HG GLU 30 -2.615 -11.034 8.635 232 H LEU 31 H LEU 31 -0.592 -11.011 7.784 233 HA LEU 31 HA LEU 31 0.581 -12.626 5.752 234 HG LEU 31 HG LEU 31 -3.651 -12.497 4.795 235 HB2 LEU 31 1HB LEU 31 -1.160 -12.865 4.146 236 HB3 LEU 31 2HB LEU 31 -1.754 -13.511 5.655 237 HD11 LEU 31 1HD1 LEU 31 -2.537 -10.233 6.449 238 HD12 LEU 31 2HD1 LEU 31 -3.409 -11.649 7.042 239 HD13 LEU 31 3HD1 LEU 31 -4.235 -10.476 6.019 240 HD21 LEU 31 3HD2 LEU 31 -2.070 -10.131 3.794 241 HD22 LEU 31 1HD2 LEU 31 -3.811 -10.370 3.611 242 HD23 LEU 31 2HD2 LEU 31 -2.683 -11.476 2.830 243 H HIS 32 H HIS 32 1.159 -11.447 3.851 244 HA HIS 32 HA HIS 32 0.382 -8.758 3.310 245 HD1 HIS 32 HD1 HIS 32 2.934 -10.748 5.962 246 HD2 HIS 32 HD2 HIS 32 5.105 -8.136 3.583 247 HE1 HIS 32 HE1 HIS 32 5.278 -11.639 5.888 248 HE2 HIS 32 HE2 HIS 32 6.585 -9.949 4.636 249 HB2 HIS 32 1HB HIS 32 2.462 -7.559 3.925 250 HB3 HIS 32 2HB HIS 32 1.775 -8.307 5.363 251 H LEU 33 H LEU 33 2.109 -7.785 1.666 252 HA LEU 33 HA LEU 33 2.919 -9.866 -0.226 253 HG LEU 33 HG LEU 33 0.742 -8.121 -0.775 254 HB2 LEU 33 1HB LEU 33 2.919 -6.838 -0.321 255 HB3 LEU 33 2HB LEU 33 3.639 -7.807 -1.599 256 HD11 LEU 33 1HD1 LEU 33 1.863 -6.315 -2.934 257 HD12 LEU 33 2HD1 LEU 33 1.002 -5.815 -1.473 258 HD13 LEU 33 3HD1 LEU 33 0.154 -6.715 -2.727 259 HD21 LEU 33 3HD2 LEU 33 0.481 -9.171 -2.991 260 HD22 LEU 33 1HD2 LEU 33 1.674 -10.031 -2.018 261 HD23 LEU 33 2HD2 LEU 33 2.202 -8.950 -3.311 262 HA PRO 34 HA PRO 34 7.173 -9.999 1.210 263 HB2 PRO 34 1HB PRO 34 8.455 -10.794 -1.120 264 HB3 PRO 34 2HB PRO 34 7.465 -11.886 -0.145 265 HG2 PRO 34 1HG PRO 34 6.695 -10.346 -2.627 266 HG3 PRO 34 2HG PRO 34 6.387 -12.064 -2.250 267 HD2 PRO 34 1HD PRO 34 4.483 -10.170 -1.931 268 HD3 PRO 34 2HD PRO 34 4.606 -11.530 -0.798 269 H ASN 35 H ASN 35 6.158 -7.977 -1.441 270 HA ASN 35 HA ASN 35 8.623 -6.357 -1.497 271 HB2 ASN 35 1HB ASN 35 6.162 -6.200 -3.307 272 HB3 ASN 35 2HB ASN 35 7.703 -5.381 -3.559 273 HD21 ASN 35 2HD2 ASN 35 5.975 -8.379 -3.839 274 HD22 ASN 35 1HD2 ASN 35 7.194 -9.240 -4.706 275 H ALA 36 H ALA 36 6.137 -6.430 0.512 276 HA ALA 36 HA ALA 36 5.354 -3.590 0.383 277 HB1 ALA 36 3HB ALA 36 4.031 -5.872 1.874 278 HB2 ALA 36 1HB ALA 36 3.507 -5.197 0.333 279 HB3 ALA 36 2HB ALA 36 3.439 -4.209 1.792 280 H THR 37 H THR 37 6.307 -2.217 1.733 281 HA THR 37 HA THR 37 7.828 -2.942 4.067 282 HB THR 37 HB THR 37 6.859 -0.217 3.064 283 HG1 THR 37 HG1 THR 37 8.771 -1.916 2.175 284 HG21 THR 37 3HG2 THR 37 8.681 0.765 4.415 285 HG22 THR 37 1HG2 THR 37 9.088 -0.832 5.058 286 HG23 THR 37 2HG2 THR 37 7.537 -0.086 5.448 287 H LEU 38 H LEU 38 7.169 -2.844 6.244 288 HA LEU 38 HA LEU 38 4.349 -2.714 6.864 289 HG LEU 38 HG LEU 38 4.052 -4.379 8.953 290 HB2 LEU 38 1HB LEU 38 6.286 -4.067 8.086 291 HB3 LEU 38 2HB LEU 38 6.514 -2.589 8.998 292 HD11 LEU 38 1HD1 LEU 38 5.863 -5.194 10.350 293 HD12 LEU 38 2HD1 LEU 38 4.485 -4.706 11.327 294 HD13 LEU 38 3HD1 LEU 38 5.907 -3.661 11.231 295 HD21 LEU 38 3HD2 LEU 38 2.966 -2.913 10.606 296 HD22 LEU 38 1HD2 LEU 38 3.188 -2.108 9.053 297 HD23 LEU 38 2HD2 LEU 38 4.261 -1.729 10.399 298 H ILE 39 H ILE 39 3.489 -0.710 6.566 299 HA ILE 39 HA ILE 39 4.320 1.300 8.563 300 HB ILE 39 HB ILE 39 3.297 1.976 5.758 301 HG12 ILE 39 1HG1 ILE 39 6.022 2.531 7.044 302 HG13 ILE 39 2HG1 ILE 39 5.718 1.347 5.786 303 HG21 ILE 39 1HG2 ILE 39 3.592 4.358 6.443 304 HG22 ILE 39 2HG2 ILE 39 3.978 3.830 8.080 305 HG23 ILE 39 3HG2 ILE 39 2.371 3.538 7.415 306 HD11 ILE 39 3HD1 ILE 39 6.762 3.267 4.828 307 HD12 ILE 39 1HD1 ILE 39 5.558 4.347 5.537 308 HD13 ILE 39 2HD1 ILE 39 5.091 3.217 4.264 309 H SER 40 H SER 40 2.695 1.982 9.812 310 HA SER 40 HA SER 40 0.031 0.841 9.473 311 HG SER 40 HG SER 40 2.244 0.687 11.483 312 HB2 SER 40 1HB SER 40 1.064 2.707 11.653 313 HB3 SER 40 2HB SER 40 -0.401 1.721 11.700 314 H VAL 41 H VAL 41 -1.594 1.929 8.506 315 HA VAL 41 HA VAL 41 -1.573 4.304 7.166 316 HB VAL 41 HB VAL 41 -3.383 2.644 6.987 317 HG11 VAL 41 1HG1 VAL 41 -3.551 2.039 9.377 318 HG12 VAL 41 2HG1 VAL 41 -5.134 2.417 8.711 319 HG13 VAL 41 3HG1 VAL 41 -4.311 3.595 9.730 320 HG21 VAL 41 3HG2 VAL 41 -5.344 4.171 6.823 321 HG22 VAL 41 1HG2 VAL 41 -3.887 4.917 6.164 322 HG23 VAL 41 2HG2 VAL 41 -4.476 5.389 7.757 323 H ASN 42 H ASN 42 -2.025 3.894 10.624 324 HA ASN 42 HA ASN 42 -3.093 6.400 11.337 325 HB2 ASN 42 1HB ASN 42 -1.361 4.520 13.002 326 HB3 ASN 42 2HB ASN 42 -2.402 5.789 13.637 327 HD21 ASN 42 2HD2 ASN 42 -2.306 2.593 12.220 328 HD22 ASN 42 1HD2 ASN 42 -3.947 2.184 12.556 329 H ASP 43 H ASP 43 0.214 5.287 10.818 330 HA ASP 43 HA ASP 43 1.465 7.650 11.985 331 HB2 ASP 43 1HB ASP 43 2.642 5.155 10.687 332 HB3 ASP 43 2HB ASP 43 3.614 6.465 11.351 333 H GLN 44 H GLN 44 0.646 9.238 10.544 334 HA GLN 44 HA GLN 44 1.275 9.406 7.788 335 HB2 GLN 44 1HB GLN 44 0.680 11.540 9.876 336 HB3 GLN 44 2HB GLN 44 1.121 11.984 8.230 337 HG2 GLN 44 1HG GLN 44 -1.249 12.041 8.343 338 HG3 GLN 44 2HG GLN 44 -0.805 10.613 7.404 339 HE21 GLN 44 2HE2 GLN 44 -1.151 8.553 8.325 340 HE22 GLN 44 1HE2 GLN 44 -2.205 8.328 9.673 341 H GLU 45 H GLU 45 3.098 10.130 10.689 342 HA GLU 45 HA GLU 45 5.255 11.526 9.532 343 HB2 GLU 45 1HB GLU 45 6.500 10.943 11.605 344 HB3 GLU 45 2HB GLU 45 4.897 11.592 11.928 345 HG2 GLU 45 1HG GLU 45 4.028 9.395 12.458 346 HG3 GLU 45 2HG GLU 45 5.530 8.623 11.946 347 H LYS 46 H LYS 46 4.654 8.051 9.905 348 HA LYS 46 HA LYS 46 7.296 7.211 9.070 349 HB2 LYS 46 1HB LYS 46 5.917 5.859 10.643 350 HB3 LYS 46 2HB LYS 46 4.720 5.608 9.385 351 HG2 LYS 46 1HG LYS 46 6.000 3.594 9.617 352 HG3 LYS 46 2HG LYS 46 6.418 4.320 8.073 353 HD2 LYS 46 1HD LYS 46 8.182 4.873 10.468 354 HD3 LYS 46 2HD LYS 46 8.293 3.304 9.676 355 HE2 LYS 46 1HE LYS 46 8.860 4.408 7.545 356 HE3 LYS 46 2HE LYS 46 8.712 5.990 8.311 357 HZ1 LYS 46 3HZ LYS 46 11.000 5.373 8.195 358 HZ2 LYS 46 1HZ LYS 46 10.708 3.891 8.958 359 HZ3 LYS 46 2HZ LYS 46 10.524 5.338 9.814 360 H LEU 47 H LEU 47 4.084 7.410 7.613 361 HA LEU 47 HA LEU 47 4.572 6.443 5.039 362 HG LEU 47 HG LEU 47 2.253 6.015 6.581 363 HB2 LEU 47 1HB LEU 47 2.693 8.508 6.203 364 HB3 LEU 47 2HB LEU 47 2.661 8.172 4.487 365 HD11 LEU 47 1HD1 LEU 47 -0.163 6.183 6.161 366 HD12 LEU 47 2HD1 LEU 47 0.105 7.593 5.136 367 HD13 LEU 47 3HD1 LEU 47 0.471 7.672 6.862 368 HD21 LEU 47 3HD2 LEU 47 1.630 6.056 3.604 369 HD22 LEU 47 1HD2 LEU 47 1.342 4.712 4.712 370 HD23 LEU 47 2HD2 LEU 47 2.993 5.217 4.355 371 H ALA 48 H ALA 48 4.804 9.752 6.286 372 HA ALA 48 HA ALA 48 5.688 11.030 3.918 373 HB1 ALA 48 3HB ALA 48 4.575 12.239 5.744 374 HB2 ALA 48 1HB ALA 48 6.151 12.950 5.390 375 HB3 ALA 48 2HB ALA 48 5.940 11.921 6.811 376 H ASP 49 H ASP 49 7.349 9.669 6.734 377 HA ASP 49 HA ASP 49 9.978 10.518 6.236 378 HB2 ASP 49 1HB ASP 49 9.318 9.527 8.388 379 HB3 ASP 49 2HB ASP 49 8.983 7.982 7.609 380 H PHE 50 H PHE 50 8.236 7.583 5.249 381 HA PHE 50 HA PHE 50 10.317 6.143 4.052 382 HD1 PHE 50 HD1 PHE 50 9.922 3.534 4.056 383 HD2 PHE 50 HD2 PHE 50 7.182 5.096 1.160 384 HE1 PHE 50 HE1 PHE 50 10.337 1.598 2.601 385 HE2 PHE 50 HE2 PHE 50 7.612 3.154 -0.280 386 HZ PHE 50 HZ PHE 50 9.185 1.405 0.433 387 HB2 PHE 50 1HB PHE 50 8.039 5.258 4.637 388 HB3 PHE 50 2HB PHE 50 7.360 6.168 3.293 389 H LEU 51 H LEU 51 8.029 8.470 2.730 390 HA LEU 51 HA LEU 51 9.052 8.430 0.034 391 HG LEU 51 HG LEU 51 6.247 8.058 1.335 392 HB2 LEU 51 1HB LEU 51 7.195 10.387 1.435 393 HB3 LEU 51 2HB LEU 51 7.476 10.316 -0.301 394 HD11 LEU 51 1HD1 LEU 51 4.118 8.643 0.305 395 HD12 LEU 51 2HD1 LEU 51 4.867 10.011 -0.520 396 HD13 LEU 51 3HD1 LEU 51 4.751 9.996 1.242 397 HD21 LEU 51 3HD2 LEU 51 7.438 7.233 -0.653 398 HD22 LEU 51 1HD2 LEU 51 6.525 8.345 -1.678 399 HD23 LEU 51 2HD2 LEU 51 5.697 7.037 -0.829 400 H SER 52 H SER 52 9.820 10.250 2.918 401 HA SER 52 HA SER 52 11.098 12.472 1.574 402 HG SER 52 HG SER 52 11.389 14.315 3.676 403 HB2 SER 52 1HB SER 52 9.999 12.728 3.805 404 HB3 SER 52 2HB SER 52 11.223 11.675 4.516 405 H GLN 53 H GLN 53 12.039 9.314 2.678 406 HA GLN 53 HA GLN 53 14.834 9.552 2.921 407 HB2 GLN 53 1HB GLN 53 13.174 7.199 1.907 408 HB3 GLN 53 2HB GLN 53 14.874 7.089 2.343 409 HG2 GLN 53 1HG GLN 53 12.568 7.714 4.199 410 HG3 GLN 53 2HG GLN 53 13.478 6.212 4.121 411 HE21 GLN 53 2HE2 GLN 53 13.036 8.152 6.332 412 HE22 GLN 53 1HE2 GLN 53 14.612 8.542 6.911 413 H HIS 54 H HIS 54 12.770 8.919 0.151 414 HA HIS 54 HA HIS 54 14.553 10.107 -1.764 415 HD1 HIS 54 HD1 HIS 54 16.674 8.554 -3.855 416 HD2 HIS 54 HD2 HIS 54 16.149 6.650 -0.200 417 HE1 HIS 54 HE1 HIS 54 18.972 7.911 -3.092 418 HE2 HIS 54 HE2 HIS 54 18.635 6.918 -0.809 419 HB2 HIS 54 1HB HIS 54 13.875 7.119 -1.884 420 HB3 HIS 54 2HB HIS 54 14.220 8.026 -3.348 421 H LYS 55 H LYS 55 13.065 11.493 -2.570 422 HA LYS 55 HA LYS 55 10.260 10.770 -2.864 423 HB2 LYS 55 1HB LYS 55 11.757 13.302 -3.662 424 HB3 LYS 55 2HB LYS 55 10.010 13.092 -3.775 425 HG2 LYS 55 1HG LYS 55 9.924 12.727 -1.299 426 HG3 LYS 55 2HG LYS 55 11.659 13.030 -1.224 427 HD2 LYS 55 1HD LYS 55 10.382 15.020 -0.558 428 HD3 LYS 55 2HD LYS 55 11.318 15.331 -2.021 429 HE2 LYS 55 1HE LYS 55 9.270 15.028 -3.379 430 HE3 LYS 55 2HE LYS 55 8.344 14.717 -1.907 431 HZ1 LYS 55 3HZ LYS 55 8.102 16.992 -2.681 432 HZ2 LYS 55 1HZ LYS 55 9.770 17.247 -2.533 433 HZ3 LYS 55 2HZ LYS 55 8.833 16.943 -1.159 434 H ASP 56 H ASP 56 12.807 9.797 -4.583 435 HA ASP 56 HA ASP 56 11.618 10.111 -7.260 436 HB2 ASP 56 1HB ASP 56 14.472 9.509 -6.379 437 HB3 ASP 56 2HB ASP 56 13.953 9.434 -8.063 438 H LYS 57 H LYS 57 11.523 7.786 -4.853 439 HA LYS 57 HA LYS 57 11.505 5.593 -6.849 440 HB2 LYS 57 1HB LYS 57 11.858 4.000 -5.225 441 HB3 LYS 57 2HB LYS 57 12.733 5.346 -4.532 442 HG2 LYS 57 1HG LYS 57 9.917 4.575 -3.697 443 HG3 LYS 57 2HG LYS 57 11.374 3.956 -2.917 444 HD2 LYS 57 1HD LYS 57 12.029 6.278 -2.339 445 HD3 LYS 57 2HD LYS 57 10.542 6.869 -3.080 446 HE2 LYS 57 1HE LYS 57 10.306 6.782 -0.661 447 HE3 LYS 57 2HE LYS 57 9.226 5.612 -1.410 448 HZ1 LYS 57 3HZ LYS 57 11.864 4.966 -0.246 449 HZ2 LYS 57 1HZ LYS 57 10.739 3.862 -0.849 450 HZ3 LYS 57 2HZ LYS 57 10.393 4.755 0.545 451 H LYS 58 H LYS 58 9.679 4.400 -7.247 452 HA LYS 58 HA LYS 58 7.179 5.840 -6.913 453 HB2 LYS 58 1HB LYS 58 7.985 4.909 -9.125 454 HB3 LYS 58 2HB LYS 58 7.664 3.290 -8.494 455 HG2 LYS 58 1HG LYS 58 5.332 3.643 -8.410 456 HG3 LYS 58 2HG LYS 58 5.489 5.398 -8.495 457 HD2 LYS 58 1HD LYS 58 4.648 4.483 -10.611 458 HD3 LYS 58 2HD LYS 58 6.222 5.248 -10.819 459 HE2 LYS 58 1HE LYS 58 7.318 3.076 -10.920 460 HE3 LYS 58 2HE LYS 58 5.807 2.251 -10.525 461 HZ1 LYS 58 3HZ LYS 58 6.380 3.807 -12.984 462 HZ2 LYS 58 1HZ LYS 58 4.880 3.121 -12.603 463 HZ3 LYS 58 2HZ LYS 58 6.220 2.124 -12.863 464 H VAL 59 H VAL 59 5.567 5.207 -5.542 465 HA VAL 59 HA VAL 59 5.934 2.686 -4.019 466 HB VAL 59 HB VAL 59 5.141 5.431 -2.939 467 HG11 VAL 59 1HG1 VAL 59 5.345 2.795 -1.432 468 HG12 VAL 59 2HG1 VAL 59 3.866 3.701 -1.752 469 HG13 VAL 59 3HG1 VAL 59 5.100 4.381 -0.693 470 HG21 VAL 59 3HG2 VAL 59 7.609 3.717 -2.434 471 HG22 VAL 59 1HG2 VAL 59 7.241 5.244 -1.625 472 HG23 VAL 59 2HG2 VAL 59 7.549 5.218 -3.360 473 H LEU 60 H LEU 60 4.166 1.524 -3.508 474 HA LEU 60 HA LEU 60 1.485 2.494 -4.315 475 HG LEU 60 HG LEU 60 0.155 -0.363 -4.238 476 HB2 LEU 60 1HB LEU 60 2.393 0.839 -5.925 477 HB3 LEU 60 2HB LEU 60 2.648 -0.303 -4.615 478 HD11 LEU 60 1HD1 LEU 60 -0.445 1.824 -5.159 479 HD12 LEU 60 2HD1 LEU 60 -1.344 0.541 -5.963 480 HD13 LEU 60 3HD1 LEU 60 0.028 1.297 -6.775 481 HD21 LEU 60 3HD2 LEU 60 1.033 -1.102 -7.047 482 HD22 LEU 60 1HD2 LEU 60 -0.357 -1.755 -6.175 483 HD23 LEU 60 2HD2 LEU 60 1.273 -2.082 -5.597 484 H LEU 61 H LEU 61 0.772 3.009 -2.285 485 HA LEU 61 HA LEU 61 1.078 1.375 0.060 486 HG LEU 61 HG LEU 61 1.249 4.588 -0.893 487 HB2 LEU 61 1HB LEU 61 -0.981 3.574 -0.436 488 HB3 LEU 61 2HB LEU 61 -0.407 2.998 1.118 489 HD11 LEU 61 1HD1 LEU 61 1.139 6.432 0.723 490 HD12 LEU 61 2HD1 LEU 61 0.096 5.468 1.771 491 HD13 LEU 61 3HD1 LEU 61 -0.473 5.971 0.180 492 HD21 LEU 61 3HD2 LEU 61 2.965 4.735 0.853 493 HD22 LEU 61 1HD2 LEU 61 2.675 3.058 0.395 494 HD23 LEU 61 2HD2 LEU 61 2.008 3.687 1.904 495 H HIS 62 H HIS 62 0.139 -0.712 -0.126 496 HA HIS 62 HA HIS 62 -2.505 -0.980 -1.398 497 HD1 HIS 62 HD1 HIS 62 -2.492 -4.812 0.222 498 HD2 HIS 62 HD2 HIS 62 1.357 -3.301 0.156 499 HE1 HIS 62 HE1 HIS 62 -1.213 -6.166 1.891 500 HE2 HIS 62 HE2 HIS 62 1.025 -5.052 2.008 501 HB2 HIS 62 1HB HIS 62 -2.052 -3.248 -1.766 502 HB3 HIS 62 2HB HIS 62 -0.455 -2.536 -1.906 503 H CYS 63 H CYS 63 -4.345 -1.738 -0.374 504 HA CYS 63 HA CYS 63 -4.252 -1.996 2.598 505 HG CYS 63 HG CYS 63 -6.532 -1.224 4.217 506 HB2 CYS 63 1HB CYS 63 -5.234 0.124 2.062 507 HB3 CYS 63 2HB CYS 63 -6.298 -0.597 0.856 508 H ARG 64 H ARG 64 -5.925 -3.173 3.610 509 HA ARG 64 HA ARG 64 -6.531 -5.730 2.721 510 HE ARG 64 HE ARG 64 -10.340 -5.596 5.543 511 HB2 ARG 64 1HB ARG 64 -6.656 -4.578 5.109 512 HB3 ARG 64 2HB ARG 64 -8.330 -4.282 4.694 513 HG2 ARG 64 1HG ARG 64 -7.030 -7.020 4.842 514 HG3 ARG 64 2HG ARG 64 -7.964 -6.277 6.135 515 HD2 ARG 64 1HD ARG 64 -8.993 -7.093 3.404 516 HD3 ARG 64 2HD ARG 64 -9.306 -7.917 4.935 517 HH11 ARG 64 1HH1 ARG 64 -10.545 -7.057 2.360 518 HH12 ARG 64 2HH1 ARG 64 -12.152 -6.477 2.069 519 HH21 ARG 64 1HH2 ARG 64 -12.427 -4.824 5.122 520 HH22 ARG 64 2HH2 ARG 64 -13.219 -5.218 3.632 521 H ALA 65 H ALA 65 -8.649 -2.836 2.714 522 HA ALA 65 HA ALA 65 -10.479 -4.145 0.755 523 HB1 ALA 65 3HB ALA 65 -12.222 -2.580 1.529 524 HB2 ALA 65 1HB ALA 65 -11.081 -1.847 2.663 525 HB3 ALA 65 2HB ALA 65 -11.591 -3.522 2.881 526 H GLY 66 H GLY 66 -8.880 -1.137 1.653 527 HA2 GLY 66 1HA GLY 66 -7.852 -0.139 -0.562 528 HA3 GLY 66 2HA GLY 66 -9.555 0.190 -0.865 529 H ARG 67 H ARG 67 -10.183 0.632 1.971 530 HA ARG 67 HA ARG 67 -10.133 3.394 1.907 531 HE ARG 67 HE ARG 67 -10.548 6.153 5.157 532 HB2 ARG 67 1HB ARG 67 -11.771 2.153 3.252 533 HB3 ARG 67 2HB ARG 67 -10.501 1.643 4.362 534 HG2 ARG 67 1HG ARG 67 -11.828 3.501 5.309 535 HG3 ARG 67 2HG ARG 67 -10.139 3.957 5.084 536 HD2 ARG 67 1HD ARG 67 -11.085 4.871 2.725 537 HD3 ARG 67 2HD ARG 67 -12.584 4.959 3.655 538 HH11 ARG 67 1HH1 ARG 67 -12.434 6.791 2.281 539 HH12 ARG 67 2HH1 ARG 67 -12.099 8.489 2.291 540 HH21 ARG 67 1HH2 ARG 67 -10.086 8.382 5.146 541 HH22 ARG 67 2HH2 ARG 67 -10.758 9.393 3.905 542 H ARG 68 H ARG 68 -7.865 1.273 3.644 543 HA ARG 68 HA ARG 68 -6.534 3.387 5.045 544 HE ARG 68 HE ARG 68 -7.954 0.085 8.270 545 HB2 ARG 68 1HB ARG 68 -5.443 0.619 4.388 546 HB3 ARG 68 2HB ARG 68 -4.826 1.724 5.610 547 HG2 ARG 68 1HG ARG 68 -7.467 0.263 5.635 548 HG3 ARG 68 2HG ARG 68 -6.071 -0.018 6.669 549 HD2 ARG 68 1HD ARG 68 -6.434 2.420 7.474 550 HD3 ARG 68 2HD ARG 68 -8.018 2.288 6.715 551 HH11 ARG 68 1HH1 ARG 68 -7.373 3.475 9.024 552 HH12 ARG 68 2HH1 ARG 68 -7.828 3.300 10.686 553 HH21 ARG 68 1HH2 ARG 68 -8.544 -0.111 10.446 554 HH22 ARG 68 2HH2 ARG 68 -8.494 1.272 11.491 555 H ALA 69 H ALA 69 -6.094 1.854 1.932 556 HA ALA 69 HA ALA 69 -3.484 2.797 1.294 557 HB1 ALA 69 3HB ALA 69 -5.742 1.911 -0.535 558 HB2 ALA 69 1HB ALA 69 -4.470 0.886 0.133 559 HB3 ALA 69 2HB ALA 69 -4.064 2.148 -1.028 560 H LEU 70 H LEU 70 -6.688 3.805 0.144 561 HA LEU 70 HA LEU 70 -6.177 6.208 -1.056 562 HG LEU 70 HG LEU 70 -8.567 7.875 0.306 563 HB2 LEU 70 1HB LEU 70 -8.377 5.147 -1.042 564 HB3 LEU 70 2HB LEU 70 -8.520 5.378 0.693 565 HD11 LEU 70 1HD1 LEU 70 -8.779 7.138 -2.630 566 HD12 LEU 70 2HD1 LEU 70 -7.437 7.989 -1.861 567 HD13 LEU 70 3HD1 LEU 70 -9.024 8.747 -1.944 568 HD21 LEU 70 3HD2 LEU 70 -10.763 6.293 -1.069 569 HD22 LEU 70 1HD2 LEU 70 -10.900 7.947 -0.464 570 HD23 LEU 70 2HD2 LEU 70 -10.645 6.617 0.663 571 H ASP 71 H ASP 71 -7.014 5.746 2.377 572 HA ASP 71 HA ASP 71 -7.056 8.425 3.169 573 HB2 ASP 71 1HB ASP 71 -8.073 6.484 4.396 574 HB3 ASP 71 2HB ASP 71 -6.464 5.971 4.881 575 H ALA 72 H ALA 72 -4.472 6.020 3.432 576 HA ALA 72 HA ALA 72 -2.496 7.549 4.716 577 HB1 ALA 72 3HB ALA 72 -2.145 5.262 2.743 578 HB2 ALA 72 1HB ALA 72 -2.383 5.103 4.486 579 HB3 ALA 72 2HB ALA 72 -0.919 5.862 3.863 580 H ALA 73 H ALA 73 -3.044 6.939 1.245 581 HA ALA 73 HA ALA 73 -0.878 8.493 0.299 582 HB1 ALA 73 3HB ALA 73 -1.902 6.698 -1.027 583 HB2 ALA 73 1HB ALA 73 -1.886 8.224 -1.916 584 HB3 ALA 73 2HB ALA 73 -3.384 7.644 -1.183 585 H LYS 74 H LYS 74 -4.234 9.351 1.110 586 HA LYS 74 HA LYS 74 -4.394 11.851 -0.216 587 HB2 LYS 74 1HB LYS 74 -5.759 11.146 2.425 588 HB3 LYS 74 2HB LYS 74 -6.193 12.467 1.344 589 HG2 LYS 74 1HG LYS 74 -6.573 10.518 -0.407 590 HG3 LYS 74 2HG LYS 74 -6.658 9.513 1.032 591 HD2 LYS 74 1HD LYS 74 -8.900 10.082 0.489 592 HD3 LYS 74 2HD LYS 74 -8.478 11.074 1.885 593 HE2 LYS 74 1HE LYS 74 -8.054 12.993 0.386 594 HE3 LYS 74 2HE LYS 74 -8.458 11.986 -1.011 595 HZ1 LYS 74 3HZ LYS 74 -10.306 13.350 -0.386 596 HZ2 LYS 74 1HZ LYS 74 -10.295 12.745 1.194 597 HZ3 LYS 74 2HZ LYS 74 -10.685 11.728 -0.099 598 H SER 75 H SER 75 -3.530 11.035 3.120 599 HA SER 75 HA SER 75 -2.867 13.518 4.132 600 HG SER 75 HG SER 75 -3.463 10.353 5.469 601 HB2 SER 75 1HB SER 75 -1.551 10.846 4.785 602 HB3 SER 75 2HB SER 75 -1.580 12.271 5.824 603 H MET 76 H MET 76 -0.774 11.234 2.379 604 HA MET 76 HA MET 76 1.638 12.745 2.572 605 HB2 MET 76 1HB MET 76 0.745 10.444 0.820 606 HB3 MET 76 2HB MET 76 2.336 11.172 0.620 607 HG2 MET 76 1HG MET 76 2.245 9.083 2.043 608 HG3 MET 76 2HG MET 76 3.047 10.465 2.781 609 HE1 MET 76 3HE MET 76 1.072 11.102 5.944 610 HE2 MET 76 1HE MET 76 1.631 12.098 4.602 611 HE3 MET 76 2HE MET 76 2.685 10.854 5.277 612 H HIS 77 H HIS 77 -0.823 12.530 0.004 613 HA HIS 77 HA HIS 77 0.375 14.324 -1.819 614 HD1 HIS 77 HD1 HIS 77 -1.365 13.880 -4.859 615 HD2 HIS 77 HD2 HIS 77 -0.892 10.786 -2.151 616 HE1 HIS 77 HE1 HIS 77 -0.822 11.863 -6.234 617 HE2 HIS 77 HE2 HIS 77 -0.723 9.979 -4.586 618 HB2 HIS 77 1HB HIS 77 -2.414 13.256 -1.463 619 HB3 HIS 77 2HB HIS 77 -2.137 14.556 -2.612 620 H GLU 78 H GLU 78 -1.552 14.893 1.054 621 HA GLU 78 HA GLU 78 -2.029 17.690 0.626 622 HB2 GLU 78 1HB GLU 78 -2.043 16.067 3.203 623 HB3 GLU 78 2HB GLU 78 -2.701 17.694 3.019 624 HG2 GLU 78 1HG GLU 78 -3.686 15.237 1.549 625 HG3 GLU 78 2HG GLU 78 -4.433 15.902 2.979 626 H LEU 79 H LEU 79 0.565 15.788 2.025 627 HA LEU 79 HA LEU 79 2.080 18.054 3.008 628 HG LEU 79 HG LEU 79 1.277 15.090 4.140 629 HB2 LEU 79 1HB LEU 79 3.040 15.226 2.451 630 HB3 LEU 79 2HB LEU 79 3.887 16.444 3.395 631 HD11 LEU 79 1HD1 LEU 79 3.213 13.633 4.410 632 HD12 LEU 79 2HD1 LEU 79 2.529 14.079 5.970 633 HD13 LEU 79 3HD1 LEU 79 4.010 14.854 5.405 634 HD21 LEU 79 3HD2 LEU 79 1.238 17.404 4.955 635 HD22 LEU 79 1HD2 LEU 79 2.814 17.178 5.721 636 HD23 LEU 79 2HD2 LEU 79 1.408 16.274 6.295 637 H GLY 80 H GLY 80 1.587 16.587 -0.050 638 HA2 GLY 80 1HA GLY 80 2.179 17.986 -1.961 639 HA3 GLY 80 2HA GLY 80 3.769 18.216 -1.254 640 H TYR 81 H TYR 81 3.470 15.154 -0.491 641 HA TYR 81 HA TYR 81 5.078 14.127 -2.624 642 HD1 TYR 81 HD1 TYR 81 7.167 13.170 -1.064 643 HD2 TYR 81 HD2 TYR 81 3.806 13.287 1.581 644 HE1 TYR 81 HE1 TYR 81 8.651 13.720 0.811 645 HE2 TYR 81 HE2 TYR 81 5.296 13.852 3.447 646 HH TYR 81 HH TYR 81 7.698 13.559 4.045 647 HB2 TYR 81 1HB TYR 81 3.480 12.500 -0.597 648 HB3 TYR 81 2HB TYR 81 4.857 11.936 -1.535 649 H THR 82 H THR 82 4.417 12.088 -3.876 650 HA THR 82 HA THR 82 1.551 11.968 -4.541 651 HB THR 82 HB THR 82 2.244 11.861 -7.057 652 HG1 THR 82 HG1 THR 82 4.408 11.794 -7.091 653 HG21 THR 82 3HG2 THR 82 2.538 14.545 -5.651 654 HG22 THR 82 1HG2 THR 82 1.013 13.808 -6.159 655 HG23 THR 82 2HG2 THR 82 2.198 14.309 -7.366 656 HA PRO 83 HA PRO 83 3.318 7.609 -4.507 657 HB2 PRO 83 1HB PRO 83 2.042 6.628 -2.309 658 HB3 PRO 83 2HB PRO 83 3.593 7.473 -2.177 659 HG2 PRO 83 1HG PRO 83 0.804 8.556 -1.723 660 HG3 PRO 83 2HG PRO 83 2.259 8.745 -0.716 661 HD2 PRO 83 1HD PRO 83 1.438 10.671 -2.462 662 HD3 PRO 83 2HD PRO 83 3.148 10.405 -2.075 663 H TYR 84 H TYR 84 2.105 5.871 -5.279 664 HA TYR 84 HA TYR 84 -0.724 6.243 -5.946 665 HD1 TYR 84 HD1 TYR 84 2.983 5.382 -7.425 666 HD2 TYR 84 HD2 TYR 84 -0.993 5.551 -8.996 667 HE1 TYR 84 HE1 TYR 84 3.801 6.613 -9.388 668 HE2 TYR 84 HE2 TYR 84 -0.161 6.771 -10.955 669 HH TYR 84 HH TYR 84 3.112 6.986 -11.728 670 HB2 TYR 84 1HB TYR 84 1.171 3.902 -6.511 671 HB3 TYR 84 2HB TYR 84 -0.479 4.049 -7.121 672 H TYR 85 H TYR 85 -2.097 4.185 -5.581 673 HA TYR 85 HA TYR 85 -1.629 2.799 -3.081 674 HD1 TYR 85 HD1 TYR 85 -2.728 6.654 -4.041 675 HD2 TYR 85 HD2 TYR 85 -5.871 3.972 -3.005 676 HE1 TYR 85 HE1 TYR 85 -4.351 8.130 -5.125 677 HE2 TYR 85 HE2 TYR 85 -7.500 5.440 -4.083 678 HH TYR 85 HH TYR 85 -6.574 8.003 -6.119 679 HB2 TYR 85 1HB TYR 85 -3.697 3.684 -1.997 680 HB3 TYR 85 2HB TYR 85 -2.455 4.908 -2.209 681 H LEU 86 H LEU 86 -2.963 1.020 -2.824 682 HA LEU 86 HA LEU 86 -4.329 0.147 -5.277 683 HG LEU 86 HG LEU 86 -2.911 -3.310 -4.959 684 HB2 LEU 86 1HB LEU 86 -2.261 -1.074 -4.618 685 HB3 LEU 86 2HB LEU 86 -3.010 -1.522 -3.102 686 HD11 LEU 86 1HD1 LEU 86 -5.651 -2.805 -3.785 687 HD12 LEU 86 2HD1 LEU 86 -4.322 -3.645 -2.987 688 HD13 LEU 86 3HD1 LEU 86 -5.051 -4.335 -4.434 689 HD21 LEU 86 3HD2 LEU 86 -3.574 -1.884 -6.832 690 HD22 LEU 86 1HD2 LEU 86 -5.190 -1.714 -6.138 691 HD23 LEU 86 2HD2 LEU 86 -4.621 -3.294 -6.685 692 H GLU 87 H GLU 87 -6.363 0.395 -5.102 693 HA GLU 87 HA GLU 87 -7.935 -0.149 -2.703 694 HB2 GLU 87 1HB GLU 87 -8.830 0.645 -5.519 695 HB3 GLU 87 2HB GLU 87 -9.820 0.682 -4.065 696 HG2 GLU 87 1HG GLU 87 -7.422 2.446 -4.659 697 HG3 GLU 87 2HG GLU 87 -9.115 2.927 -4.758 698 H GLY 88 H GLY 88 -8.081 -2.335 -2.348 699 HA2 GLY 88 1HA GLY 88 -9.550 -4.093 -3.929 700 HA3 GLY 88 2HA GLY 88 -7.856 -4.356 -4.347 701 H ASN 89 H ASN 89 -9.134 -6.451 -3.345 702 HA ASN 89 HA ASN 89 -9.035 -6.582 -0.448 703 HB2 ASN 89 1HB ASN 89 -9.761 -8.651 -2.560 704 HB3 ASN 89 2HB ASN 89 -9.782 -8.981 -0.827 705 HD21 ASN 89 2HD2 ASN 89 -11.322 -7.883 0.486 706 HD22 ASN 89 1HD2 ASN 89 -12.752 -7.201 -0.198 707 H VAL 90 H VAL 90 -7.358 -7.262 0.751 708 HA VAL 90 HA VAL 90 -4.813 -7.573 -0.415 709 HB VAL 90 HB VAL 90 -5.209 -6.549 1.831 710 HG11 VAL 90 1HG1 VAL 90 -5.509 -9.396 2.833 711 HG12 VAL 90 2HG1 VAL 90 -6.774 -8.168 2.780 712 HG13 VAL 90 3HG1 VAL 90 -5.383 -7.952 3.842 713 HG21 VAL 90 3HG2 VAL 90 -3.143 -7.404 2.918 714 HG22 VAL 90 1HG2 VAL 90 -2.923 -7.123 1.189 715 HG23 VAL 90 2HG2 VAL 90 -3.128 -8.766 1.795 716 H TYR 91 H TYR 91 -7.072 -9.986 0.834 717 HA TYR 91 HA TYR 91 -5.222 -12.192 0.782 718 HD1 TYR 91 HD1 TYR 91 -5.899 -13.839 3.212 719 HD2 TYR 91 HD2 TYR 91 -8.477 -10.479 2.649 720 HE1 TYR 91 HE1 TYR 91 -5.718 -13.289 5.595 721 HE2 TYR 91 HE2 TYR 91 -8.287 -9.930 5.031 722 HH TYR 91 HH TYR 91 -5.974 -11.405 7.085 723 HB2 TYR 91 1HB TYR 91 -8.271 -12.175 0.889 724 HB3 TYR 91 2HB TYR 91 -7.265 -13.601 1.130 725 H ASP 92 H ASP 92 -7.103 -10.594 -1.609 726 HA ASP 92 HA ASP 92 -7.412 -12.826 -3.422 727 HB2 ASP 92 1HB ASP 92 -8.108 -9.880 -3.555 728 HB3 ASP 92 2HB ASP 92 -8.138 -10.849 -5.023 729 H PHE 93 H PHE 93 -4.807 -10.732 -2.751 730 HA PHE 93 HA PHE 93 -3.722 -10.222 -5.283 731 HD1 PHE 93 HD2 PHE 93 -4.512 -8.494 -4.318 732 HD2 PHE 93 HD1 PHE 93 -1.239 -8.685 -1.602 733 HE1 PHE 93 HE2 PHE 93 -5.096 -6.277 -3.462 734 HE2 PHE 93 HE1 PHE 93 -1.828 -6.478 -0.755 735 HZ PHE 93 HZ PHE 93 -3.748 -5.253 -1.673 736 HB2 PHE 93 1HB PHE 93 -2.201 -10.768 -2.708 737 HB3 PHE 93 2HB PHE 93 -1.521 -10.015 -4.146 738 H GLU 94 H GLU 94 -3.321 -13.040 -3.183 739 HA GLU 94 HA GLU 94 -1.619 -14.700 -4.566 740 HB2 GLU 94 1HB GLU 94 -3.943 -15.110 -2.696 741 HB3 GLU 94 2HB GLU 94 -3.382 -16.538 -3.556 742 HG2 GLU 94 1HG GLU 94 -1.590 -14.778 -1.865 743 HG3 GLU 94 2HG GLU 94 -2.408 -16.223 -1.269 744 H LYS 95 H LYS 95 -5.195 -14.587 -4.973 745 HA LYS 95 HA LYS 95 -5.176 -16.548 -7.084 746 HB2 LYS 95 1HB LYS 95 -7.628 -16.167 -7.185 747 HB3 LYS 95 2HB LYS 95 -7.066 -16.486 -5.549 748 HG2 LYS 95 1HG LYS 95 -7.150 -14.080 -5.050 749 HG3 LYS 95 2HG LYS 95 -7.730 -13.757 -6.680 750 HD2 LYS 95 1HD LYS 95 -9.226 -15.486 -4.670 751 HD3 LYS 95 2HD LYS 95 -9.495 -13.756 -4.862 752 HE2 LYS 95 1HE LYS 95 -11.207 -14.806 -6.111 753 HE3 LYS 95 2HE LYS 95 -10.044 -14.243 -7.309 754 HZ1 LYS 95 3HZ LYS 95 -10.234 -17.017 -6.272 755 HZ2 LYS 95 1HZ LYS 95 -9.190 -16.484 -7.490 756 HZ3 LYS 95 2HZ LYS 95 -10.860 -16.487 -7.746 757 H TYR 96 H TYR 96 -4.789 -13.118 -7.037 758 HA TYR 96 HA TYR 96 -5.389 -12.770 -9.881 759 HD1 TYR 96 HD1 TYR 96 -6.948 -11.826 -7.019 760 HD2 TYR 96 HD2 TYR 96 -6.190 -9.252 -10.332 761 HE1 TYR 96 HE1 TYR 96 -9.289 -11.126 -6.993 762 HE2 TYR 96 HE2 TYR 96 -8.543 -8.551 -10.309 763 HH TYR 96 HH TYR 96 -10.603 -9.107 -7.751 764 HB2 TYR 96 1HB TYR 96 -4.494 -10.882 -7.680 765 HB3 TYR 96 2HB TYR 96 -4.356 -10.393 -9.368 766 H GLY 97 H GLY 97 -2.682 -13.744 -7.974 767 HA2 GLY 97 1HA GLY 97 -1.155 -15.090 -9.430 768 HA3 GLY 97 2HA GLY 97 -0.993 -13.667 -10.445 769 H PHE 98 H PHE 98 -1.079 -12.256 -7.610 770 HA PHE 98 HA PHE 98 1.830 -11.976 -7.455 771 HD1 PHE 98 HD2 PHE 98 2.226 -9.333 -8.480 772 HD2 PHE 98 HD1 PHE 98 -1.950 -9.882 -7.700 773 HE1 PHE 98 HE2 PHE 98 1.674 -8.113 -10.545 774 HE2 PHE 98 HE1 PHE 98 -2.489 -8.667 -9.768 775 HZ PHE 98 HZ PHE 98 -0.680 -7.779 -11.189 776 HB2 PHE 98 1HB PHE 98 -0.345 -10.415 -5.992 777 HB3 PHE 98 2HB PHE 98 1.349 -9.958 -6.168 778 H ARG 99 H ARG 99 2.913 -13.242 -6.078 779 HA ARG 99 HA ARG 99 1.649 -14.929 -4.170 780 HE ARG 99 HE ARG 99 7.422 -13.558 -3.421 781 HB2 ARG 99 1HB ARG 99 3.743 -15.961 -3.886 782 HB3 ARG 99 2HB ARG 99 3.790 -15.385 -5.542 783 HG2 ARG 99 1HG ARG 99 5.831 -14.498 -5.023 784 HG3 ARG 99 2HG ARG 99 4.945 -13.263 -4.144 785 HD2 ARG 99 1HD ARG 99 5.179 -14.479 -2.069 786 HD3 ARG 99 2HD ARG 99 5.877 -15.873 -2.910 787 HH11 ARG 99 1HH1 ARG 99 6.793 -15.863 -0.861 788 HH12 ARG 99 2HH1 ARG 99 8.336 -15.617 -0.114 789 HH21 ARG 99 1HH2 ARG 99 9.447 -13.269 -2.418 790 HH22 ARG 99 2HH2 ARG 99 9.826 -14.150 -0.973 791 H MET 100 H MET 100 1.950 -14.989 -1.889 792 HA MET 100 HA MET 100 2.520 -12.390 -0.582 793 HB2 MET 100 1HB MET 100 0.115 -14.166 0.054 794 HB3 MET 100 2HB MET 100 0.494 -12.603 0.765 795 HG2 MET 100 1HG MET 100 0.238 -11.641 -1.605 796 HG3 MET 100 2HG MET 100 -0.484 -13.193 -2.027 797 HE1 MET 100 3HE MET 100 -0.755 -11.213 1.373 798 HE2 MET 100 1HE MET 100 -2.187 -10.241 1.038 799 HE3 MET 100 2HE MET 100 -0.715 -9.984 0.101 800 H VAL 101 H VAL 101 3.228 -12.499 1.545 801 HA VAL 101 HA VAL 101 4.216 -15.117 2.482 802 HB VAL 101 HB VAL 101 5.149 -12.321 3.288 803 HG11 VAL 101 1HG1 VAL 101 7.042 -13.474 4.414 804 HG12 VAL 101 2HG1 VAL 101 6.323 -15.039 4.023 805 HG13 VAL 101 3HG1 VAL 101 5.490 -13.934 5.118 806 HG21 VAL 101 3HG2 VAL 101 7.184 -12.823 1.977 807 HG22 VAL 101 1HG2 VAL 101 5.740 -12.832 0.964 808 HG23 VAL 101 2HG2 VAL 101 6.478 -14.358 1.460 809 H TYR 102 H TYR 102 2.975 -15.988 3.937 810 HA TYR 102 HA TYR 102 1.384 -14.483 5.885 811 HD1 TYR 102 HD1 TYR 102 1.471 -17.323 2.877 812 HD2 TYR 102 HD2 TYR 102 -1.577 -15.561 5.299 813 HE1 TYR 102 HE1 TYR 102 0.014 -17.124 0.907 814 HE2 TYR 102 HE2 TYR 102 -3.023 -15.368 3.336 815 HH TYR 102 HH TYR 102 -2.356 -16.943 0.406 816 HB2 TYR 102 1HB TYR 102 1.546 -17.498 5.383 817 HB3 TYR 102 2HB TYR 102 0.342 -16.664 6.364 818 H ASP 103 H ASP 103 1.615 -14.900 8.152 819 HA ASP 103 HA ASP 103 2.672 -15.108 10.116 820 HB2 ASP 103 1HB ASP 103 3.748 -17.653 8.843 821 HB3 ASP 103 2HB ASP 103 3.883 -17.275 10.561 822 H ASP 104 H ASP 104 3.903 -13.344 10.131 823 HA ASP 104 HA ASP 104 6.820 -13.541 9.689 824 HB2 ASP 104 1HB ASP 104 5.275 -12.164 7.938 825 HB3 ASP 104 2HB ASP 104 5.304 -10.939 9.191 826 H THR 105 H THR 105 5.083 -13.959 12.017 827 HA THR 105 HA THR 105 4.664 -11.636 13.588 828 HB THR 105 HB THR 105 4.095 -13.268 15.422 829 HG1 THR 105 HG1 THR 105 4.650 -15.301 13.506 830 HG21 THR 105 3HG2 THR 105 2.334 -12.674 13.791 831 HG22 THR 105 1HG2 THR 105 2.173 -14.352 14.309 832 HG23 THR 105 2HG2 THR 105 2.865 -13.978 12.729 833 H CYS 106 H CYS 106 6.924 -14.369 14.084 834 HA CYS 106 HA CYS 106 8.785 -12.560 15.532 835 HG CYS 106 HG CYS 106 10.908 -13.952 16.762 836 HB2 CYS 106 1HB CYS 106 7.613 -14.175 17.046 837 HB3 CYS 106 2HB CYS 106 8.286 -15.506 16.110 838 H ASP 107 H ASP 107 8.319 -14.584 12.854 839 HA ASP 107 HA ASP 107 11.092 -14.380 12.050 840 HB2 ASP 107 1HB ASP 107 11.094 -16.483 13.414 841 HB3 ASP 107 2HB ASP 107 9.831 -17.148 12.380 842 H LYS 108 H LYS 108 11.330 -14.508 9.830 843 HA LYS 108 HA LYS 108 8.878 -14.105 8.292 844 HB2 LYS 108 1HB LYS 108 10.790 -12.479 8.215 845 HB3 LYS 108 2HB LYS 108 11.794 -13.720 7.472 846 HG2 LYS 108 1HG LYS 108 10.267 -13.787 5.522 847 HG3 LYS 108 2HG LYS 108 9.255 -12.552 6.274 848 HD2 LYS 108 1HD LYS 108 12.128 -12.216 5.314 849 HD3 LYS 108 2HD LYS 108 10.686 -11.508 4.588 850 HE2 LYS 108 1HE LYS 108 11.844 -10.834 7.319 851 HE3 LYS 108 2HE LYS 108 11.895 -9.813 5.883 852 HZ1 LYS 108 3HZ LYS 108 9.479 -9.680 5.957 853 HZ2 LYS 108 1HZ LYS 108 10.167 -9.111 7.396 854 HZ3 LYS 108 2HZ LYS 108 9.444 -10.643 7.346 855 H LYS 109 H LYS 109 7.995 -16.002 7.627 856 HA LYS 109 HA LYS 109 9.724 -18.092 6.400 857 HB2 LYS 109 1HB LYS 109 7.096 -18.438 7.912 858 HB3 LYS 109 2HB LYS 109 8.009 -19.738 7.149 859 HG2 LYS 109 1HG LYS 109 9.881 -19.359 8.696 860 HG3 LYS 109 2HG LYS 109 9.010 -18.012 9.439 861 HD2 LYS 109 1HD LYS 109 7.205 -19.587 10.124 862 HD3 LYS 109 2HD LYS 109 8.128 -20.926 9.436 863 HE2 LYS 109 1HE LYS 109 9.046 -19.139 11.703 864 HE3 LYS 109 2HE LYS 109 8.382 -20.760 11.892 865 HZ1 LYS 109 3HZ LYS 109 10.914 -20.034 10.523 866 HZ2 LYS 109 1HZ LYS 109 10.261 -21.591 10.563 867 HZ3 LYS 109 2HZ LYS 109 10.752 -20.845 11.989 868 H ASN 110 H ASN 110 9.509 -18.005 4.258 869 HA ASN 110 HA ASN 110 7.068 -16.952 2.974 870 HB2 ASN 110 1HB ASN 110 9.887 -17.495 1.934 871 HB3 ASN 110 2HB ASN 110 8.560 -17.018 0.884 872 HD21 ASN 110 2HD2 ASN 110 8.993 -15.666 4.129 873 HD22 ASN 110 1HD2 ASN 110 9.459 -14.097 3.600 Start of MODEL 9 1 HA MET 1 HA MET 1 -6.918 15.309 -7.065 2 H1 MET 1 1H MET 1 -5.988 15.366 -4.894 3 H2 MET 1 2H MET 1 -5.921 16.928 -5.539 4 H3 MET 1 3H MET 1 -4.527 15.976 -5.466 5 HB2 MET 1 1HB MET 1 -5.618 17.416 -7.771 6 HB3 MET 1 2HB MET 1 -4.241 16.374 -8.087 7 HG2 MET 1 1HG MET 1 -5.456 15.227 -9.846 8 HG3 MET 1 2HG MET 1 -6.930 16.107 -9.449 9 HE1 MET 1 3HE MET 1 -3.202 18.119 -11.333 10 HE2 MET 1 1HE MET 1 -3.272 16.403 -10.932 11 HE3 MET 1 2HE MET 1 -3.234 17.611 -9.644 12 H LEU 2 H LEU 2 -5.844 13.460 -5.295 13 HA LEU 2 HA LEU 2 -3.875 11.803 -6.661 14 HG LEU 2 HG LEU 2 -6.076 10.022 -4.285 15 HB2 LEU 2 1HB LEU 2 -3.596 10.614 -4.702 16 HB3 LEU 2 2HB LEU 2 -3.971 12.217 -4.108 17 HD11 LEU 2 1HD1 LEU 2 -4.286 10.691 -1.938 18 HD12 LEU 2 2HD1 LEU 2 -4.284 9.195 -2.877 19 HD13 LEU 2 3HD1 LEU 2 -5.682 9.606 -1.887 20 HD21 LEU 2 3HD2 LEU 2 -6.975 12.314 -4.097 21 HD22 LEU 2 1HD2 LEU 2 -6.008 12.575 -2.640 22 HD23 LEU 2 2HD2 LEU 2 -7.298 11.371 -2.642 23 H GLU 3 H GLU 3 -7.244 11.986 -6.934 24 HA GLU 3 HA GLU 3 -7.973 9.267 -6.556 25 HB2 GLU 3 1HB GLU 3 -10.115 9.757 -7.658 26 HB3 GLU 3 2HB GLU 3 -9.714 10.951 -6.438 27 HG2 GLU 3 1HG GLU 3 -9.242 11.404 -9.390 28 HG3 GLU 3 2HG GLU 3 -10.760 11.804 -8.597 29 H ASP 4 H ASP 4 -6.517 10.857 -9.266 30 HA ASP 4 HA ASP 4 -7.036 8.887 -11.278 31 HB2 ASP 4 1HB ASP 4 -4.805 10.950 -11.024 32 HB3 ASP 4 2HB ASP 4 -5.105 9.985 -12.468 33 H TYR 5 H TYR 5 -4.857 8.990 -8.610 34 HA TYR 5 HA TYR 5 -3.003 6.951 -9.537 35 HD1 TYR 5 HD1 TYR 5 -3.497 10.346 -8.669 36 HD2 TYR 5 HD2 TYR 5 0.052 8.170 -7.686 37 HE1 TYR 5 HE1 TYR 5 -2.125 12.221 -9.455 38 HE2 TYR 5 HE2 TYR 5 1.421 10.053 -8.476 39 HH TYR 5 HH TYR 5 1.148 12.017 -10.064 40 HB2 TYR 5 1HB TYR 5 -3.315 8.306 -6.811 41 HB3 TYR 5 2HB TYR 5 -2.033 7.171 -7.219 42 H ALA 6 H ALA 6 -6.126 6.657 -8.752 43 HA ALA 6 HA ALA 6 -6.165 4.541 -6.803 44 HB1 ALA 6 3HB ALA 6 -8.548 4.319 -7.353 45 HB2 ALA 6 1HB ALA 6 -8.342 5.357 -8.772 46 HB3 ALA 6 2HB ALA 6 -8.121 6.018 -7.153 47 H ILE 7 H ILE 7 -4.911 2.847 -7.416 48 HA ILE 7 HA ILE 7 -5.291 1.523 -10.011 49 HB ILE 7 HB ILE 7 -3.389 0.775 -7.735 50 HG12 ILE 7 1HG1 ILE 7 -2.806 2.464 -10.224 51 HG13 ILE 7 2HG1 ILE 7 -2.882 3.072 -8.576 52 HG21 ILE 7 1HG2 ILE 7 -3.399 -0.051 -10.666 53 HG22 ILE 7 2HG2 ILE 7 -3.836 -1.076 -9.299 54 HG23 ILE 7 3HG2 ILE 7 -2.177 -0.504 -9.473 55 HD11 ILE 7 3HD1 ILE 7 -0.600 2.847 -9.293 56 HD12 ILE 7 1HD1 ILE 7 -0.843 1.144 -9.679 57 HD13 ILE 7 2HD1 ILE 7 -0.925 1.693 -8.003 58 H SER 8 H SER 8 -6.684 -0.176 -10.189 59 HA SER 8 HA SER 8 -7.826 -1.460 -7.825 60 HG SER 8 HG SER 8 -10.307 -0.841 -10.284 61 HB2 SER 8 1HB SER 8 -8.328 -2.006 -10.781 62 HB3 SER 8 2HB SER 8 -9.273 -2.645 -9.434 63 H LEU 9 H LEU 9 -7.755 -3.782 -7.512 64 HA LEU 9 HA LEU 9 -5.174 -4.902 -7.627 65 HG LEU 9 HG LEU 9 -6.591 -8.031 -7.548 66 HB2 LEU 9 1HB LEU 9 -6.650 -5.509 -5.854 67 HB3 LEU 9 2HB LEU 9 -7.895 -6.045 -6.966 68 HD11 LEU 9 1HD1 LEU 9 -4.498 -8.617 -6.391 69 HD12 LEU 9 2HD1 LEU 9 -4.465 -7.017 -5.646 70 HD13 LEU 9 3HD1 LEU 9 -4.320 -7.182 -7.397 71 HD21 LEU 9 3HD2 LEU 9 -6.719 -9.206 -5.409 72 HD22 LEU 9 1HD2 LEU 9 -8.109 -8.147 -5.627 73 HD23 LEU 9 2HD2 LEU 9 -6.797 -7.669 -4.546 74 H GLU 10 H GLU 10 -7.938 -5.312 -9.753 75 HA GLU 10 HA GLU 10 -7.052 -7.533 -11.256 76 HB2 GLU 10 1HB GLU 10 -8.737 -6.784 -12.934 77 HB3 GLU 10 2HB GLU 10 -9.372 -6.841 -11.291 78 HG2 GLU 10 1HG GLU 10 -9.137 -4.390 -11.100 79 HG3 GLU 10 2HG GLU 10 -8.481 -4.321 -12.736 80 H GLU 11 H GLU 11 -5.896 -4.292 -11.272 81 HA GLU 11 HA GLU 11 -4.510 -4.656 -13.872 82 HB2 GLU 11 1HB GLU 11 -4.785 -2.180 -14.228 83 HB3 GLU 11 2HB GLU 11 -6.297 -3.075 -14.259 84 HG2 GLU 11 1HG GLU 11 -6.771 -2.368 -11.938 85 HG3 GLU 11 2HG GLU 11 -5.257 -1.466 -11.909 86 H VAL 12 H VAL 12 -3.954 -4.499 -10.633 87 HA VAL 12 HA VAL 12 -1.772 -2.596 -10.599 88 HB VAL 12 HB VAL 12 -3.160 -3.173 -8.550 89 HG11 VAL 12 1HG1 VAL 12 -1.475 -5.698 -8.459 90 HG12 VAL 12 2HG1 VAL 12 -3.214 -5.616 -8.749 91 HG13 VAL 12 3HG1 VAL 12 -2.559 -5.123 -7.188 92 HG21 VAL 12 3HG2 VAL 12 -1.267 -2.995 -6.949 93 HG22 VAL 12 1HG2 VAL 12 -1.085 -1.901 -8.323 94 HG23 VAL 12 2HG2 VAL 12 -0.137 -3.388 -8.250 95 H ASN 13 H ASN 13 0.430 -3.086 -10.348 96 HA ASN 13 HA ASN 13 1.385 -5.845 -10.733 97 HB2 ASN 13 1HB ASN 13 2.437 -3.405 -12.265 98 HB3 ASN 13 2HB ASN 13 3.144 -5.016 -12.314 99 HD21 ASN 13 2HD2 ASN 13 0.398 -3.062 -13.303 100 HD22 ASN 13 1HD2 ASN 13 -0.173 -4.140 -14.526 101 H PHE 14 H PHE 14 1.954 -5.923 -8.537 102 HA PHE 14 HA PHE 14 2.795 -3.753 -6.986 103 HD1 PHE 14 HD2 PHE 14 1.483 -3.691 -5.044 104 HD2 PHE 14 HD1 PHE 14 1.075 -7.796 -6.168 105 HE1 PHE 14 HE2 PHE 14 -0.846 -3.682 -4.258 106 HE2 PHE 14 HE1 PHE 14 -1.256 -7.774 -5.377 107 HZ PHE 14 HZ PHE 14 -2.218 -5.719 -4.425 108 HB2 PHE 14 1HB PHE 14 3.151 -6.738 -6.504 109 HB3 PHE 14 2HB PHE 14 3.535 -5.519 -5.295 110 H ASN 15 H ASN 15 4.755 -6.076 -8.784 111 HA ASN 15 HA ASN 15 7.298 -5.346 -7.731 112 HB2 ASN 15 1HB ASN 15 6.590 -6.717 -10.353 113 HB3 ASN 15 2HB ASN 15 8.222 -6.599 -9.697 114 HD21 ASN 15 2HD2 ASN 15 6.465 -8.928 -10.289 115 HD22 ASN 15 1HD2 ASN 15 6.421 -9.847 -8.827 116 H ASP 16 H ASP 16 5.266 -3.879 -10.090 117 HA ASP 16 HA ASP 16 7.184 -2.412 -11.606 118 HB2 ASP 16 1HB ASP 16 4.802 -2.885 -12.334 119 HB3 ASP 16 2HB ASP 16 4.242 -1.753 -11.119 120 H PHE 17 H PHE 17 5.709 -1.934 -8.478 121 HA PHE 17 HA PHE 17 6.884 0.795 -8.216 122 HD1 PHE 17 HD1 PHE 17 4.271 2.469 -9.089 123 HD2 PHE 17 HD2 PHE 17 3.107 -1.464 -7.915 124 HE1 PHE 17 HE1 PHE 17 2.545 2.457 -10.841 125 HE2 PHE 17 HE2 PHE 17 1.387 -1.475 -9.672 126 HZ PHE 17 HZ PHE 17 1.114 0.473 -11.142 127 HB2 PHE 17 1HB PHE 17 4.566 -0.111 -6.477 128 HB3 PHE 17 2HB PHE 17 5.037 1.513 -6.927 129 H ILE 18 H ILE 18 7.471 1.307 -5.852 130 HA ILE 18 HA ILE 18 8.398 -0.986 -4.268 131 HB ILE 18 HB ILE 18 8.432 1.988 -3.506 132 HG12 ILE 18 1HG1 ILE 18 10.737 0.367 -4.707 133 HG13 ILE 18 2HG1 ILE 18 9.817 1.602 -5.558 134 HG21 ILE 18 1HG2 ILE 18 10.115 1.325 -1.813 135 HG22 ILE 18 2HG2 ILE 18 9.966 -0.362 -2.314 136 HG23 ILE 18 3HG2 ILE 18 8.594 0.464 -1.575 137 HD11 ILE 18 3HD1 ILE 18 11.946 2.474 -4.826 138 HD12 ILE 18 1HD1 ILE 18 11.589 2.045 -3.153 139 HD13 ILE 18 2HD1 ILE 18 10.641 3.294 -3.969 140 H VAL 19 H VAL 19 6.926 -1.964 -2.838 141 HA VAL 19 HA VAL 19 4.319 -0.598 -2.587 142 HB VAL 19 HB VAL 19 4.986 -3.482 -1.828 143 HG11 VAL 19 1HG1 VAL 19 2.899 -2.650 -0.838 144 HG12 VAL 19 2HG1 VAL 19 2.558 -3.867 -2.067 145 HG13 VAL 19 3HG1 VAL 19 2.316 -2.156 -2.428 146 HG21 VAL 19 3HG2 VAL 19 3.917 -2.463 -4.485 147 HG22 VAL 19 1HG2 VAL 19 4.069 -4.159 -4.019 148 HG23 VAL 19 2HG2 VAL 19 5.511 -3.162 -4.203 149 H VAL 20 H VAL 20 3.364 -0.151 -0.649 150 HA VAL 20 HA VAL 20 4.728 -0.805 1.890 151 HB VAL 20 HB VAL 20 3.271 1.806 1.223 152 HG11 VAL 20 1HG1 VAL 20 4.497 0.937 3.874 153 HG12 VAL 20 2HG1 VAL 20 2.778 1.146 3.531 154 HG13 VAL 20 3HG1 VAL 20 3.850 2.544 3.518 155 HG21 VAL 20 3HG2 VAL 20 5.558 1.752 0.307 156 HG22 VAL 20 1HG2 VAL 20 6.208 1.351 1.899 157 HG23 VAL 20 2HG2 VAL 20 5.439 2.917 1.624 158 H ASP 21 H ASP 21 3.433 -1.869 3.264 159 HA ASP 21 HA ASP 21 0.580 -2.196 2.718 160 HB2 ASP 21 1HB ASP 21 2.374 -4.010 3.606 161 HB3 ASP 21 2HB ASP 21 1.943 -3.354 5.180 162 H VAL 22 H VAL 22 -0.664 -0.466 3.416 163 HA VAL 22 HA VAL 22 0.182 1.057 5.815 164 HB VAL 22 HB VAL 22 -1.560 2.784 4.990 165 HG11 VAL 22 1HG1 VAL 22 0.842 2.225 3.198 166 HG12 VAL 22 2HG1 VAL 22 0.865 3.127 4.713 167 HG13 VAL 22 3HG1 VAL 22 -0.014 3.765 3.324 168 HG21 VAL 22 3HG2 VAL 22 -2.177 2.710 2.585 169 HG22 VAL 22 1HG2 VAL 22 -2.837 1.321 3.456 170 HG23 VAL 22 2HG2 VAL 22 -1.414 1.125 2.430 171 H ARG 23 H ARG 23 -0.581 -0.579 7.307 172 HA ARG 23 HA ARG 23 -3.355 -0.121 8.085 173 HE ARG 23 HE ARG 23 -2.619 -3.850 5.089 174 HB2 ARG 23 1HB ARG 23 -2.401 -2.897 7.327 175 HB3 ARG 23 2HB ARG 23 -3.812 -2.623 8.335 176 HG2 ARG 23 1HG ARG 23 -4.951 -1.491 6.490 177 HG3 ARG 23 2HG ARG 23 -3.509 -1.639 5.482 178 HD2 ARG 23 1HD ARG 23 -5.052 -3.983 6.614 179 HD3 ARG 23 2HD ARG 23 -5.275 -3.326 4.996 180 HH11 ARG 23 1HH1 ARG 23 -5.343 -5.871 5.919 181 HH12 ARG 23 2HH1 ARG 23 -4.599 -7.324 5.333 182 HH21 ARG 23 1HH2 ARG 23 -1.629 -5.751 4.361 183 HH22 ARG 23 2HH2 ARG 23 -2.488 -7.260 4.477 184 H GLU 24 H GLU 24 -0.961 -2.744 9.050 185 HA GLU 24 HA GLU 24 -0.377 -1.679 11.616 186 HB2 GLU 24 1HB GLU 24 -2.921 -2.026 11.773 187 HB3 GLU 24 2HB GLU 24 -2.616 -3.752 11.721 188 HG2 GLU 24 1HG GLU 24 -1.329 -3.589 13.827 189 HG3 GLU 24 2HG GLU 24 -1.613 -1.849 13.867 190 H LEU 25 H LEU 25 0.514 -3.354 13.186 191 HA LEU 25 HA LEU 25 2.214 -5.278 12.048 192 HG LEU 25 HG LEU 25 2.206 -7.298 14.498 193 HB2 LEU 25 1HB LEU 25 2.676 -4.297 14.243 194 HB3 LEU 25 2HB LEU 25 1.205 -4.997 14.898 195 HD11 LEU 25 1HD1 LEU 25 4.618 -7.526 14.175 196 HD12 LEU 25 2HD1 LEU 25 4.777 -5.779 13.968 197 HD13 LEU 25 3HD1 LEU 25 3.866 -6.733 12.792 198 HD21 LEU 25 3HD2 LEU 25 2.190 -6.303 16.731 199 HD22 LEU 25 1HD2 LEU 25 3.723 -5.488 16.403 200 HD23 LEU 25 2HD2 LEU 25 3.655 -7.250 16.485 201 H ASP 26 H ASP 26 -1.008 -5.642 13.565 202 HA ASP 26 HA ASP 26 -1.078 -8.429 13.812 203 HB2 ASP 26 1HB ASP 26 -2.704 -7.121 14.974 204 HB3 ASP 26 2HB ASP 26 -3.290 -6.390 13.488 205 H GLU 27 H GLU 27 -2.153 -6.416 11.062 206 HA GLU 27 HA GLU 27 -3.064 -8.593 9.462 207 HB2 GLU 27 1HB GLU 27 -3.073 -6.952 7.584 208 HB3 GLU 27 2HB GLU 27 -3.931 -6.405 9.012 209 HG2 GLU 27 1HG GLU 27 -2.851 -4.501 8.396 210 HG3 GLU 27 2HG GLU 27 -1.734 -5.151 9.577 211 H TYR 28 H TYR 28 0.029 -6.845 9.684 212 HA TYR 28 HA TYR 28 1.519 -8.160 7.735 213 HD1 TYR 28 HD2 TYR 28 4.424 -6.986 7.409 214 HD2 TYR 28 HD1 TYR 28 3.938 -8.578 11.347 215 HE1 TYR 28 HE2 TYR 28 6.771 -7.723 7.414 216 HE2 TYR 28 HE1 TYR 28 6.282 -9.312 11.341 217 HH TYR 28 HH TYR 28 8.029 -9.888 9.705 218 HB2 TYR 28 1HB TYR 28 2.489 -6.291 8.855 219 HB3 TYR 28 2HB TYR 28 2.272 -7.009 10.437 220 H GLU 29 H GLU 29 0.602 -9.246 10.976 221 HA GLU 29 HA GLU 29 2.282 -11.535 11.141 222 HB2 GLU 29 1HB GLU 29 -0.327 -10.966 12.612 223 HB3 GLU 29 2HB GLU 29 0.809 -12.231 13.042 224 HG2 GLU 29 1HG GLU 29 1.411 -9.270 13.136 225 HG3 GLU 29 2HG GLU 29 0.904 -10.237 14.514 226 H GLU 30 H GLU 30 -1.048 -11.067 9.972 227 HA GLU 30 HA GLU 30 -1.519 -13.931 9.787 228 HB2 GLU 30 1HB GLU 30 -3.796 -13.320 8.969 229 HB3 GLU 30 2HB GLU 30 -3.380 -12.664 10.547 230 HG2 GLU 30 1HG GLU 30 -2.939 -10.474 9.526 231 HG3 GLU 30 2HG GLU 30 -3.368 -11.119 7.946 232 H LEU 31 H LEU 31 -1.188 -11.281 7.399 233 HA LEU 31 HA LEU 31 0.205 -12.856 5.540 234 HG LEU 31 HG LEU 31 -2.774 -11.173 3.886 235 HB2 LEU 31 1HB LEU 31 -1.273 -13.257 3.723 236 HB3 LEU 31 2HB LEU 31 -2.097 -13.870 5.136 237 HD11 LEU 31 1HD1 LEU 31 -4.695 -12.249 2.802 238 HD12 LEU 31 2HD1 LEU 31 -4.151 -13.828 3.372 239 HD13 LEU 31 3HD1 LEU 31 -3.178 -12.923 2.210 240 HD21 LEU 31 3HD2 LEU 31 -3.516 -11.393 6.189 241 HD22 LEU 31 1HD2 LEU 31 -4.320 -12.919 5.818 242 HD23 LEU 31 2HD2 LEU 31 -4.899 -11.412 5.102 243 H HIS 32 H HIS 32 1.316 -11.526 4.183 244 HA HIS 32 HA HIS 32 0.255 -8.947 3.339 245 HD1 HIS 32 HD1 HIS 32 3.016 -10.813 5.995 246 HD2 HIS 32 HD2 HIS 32 4.573 -7.346 4.306 247 HE1 HIS 32 HE1 HIS 32 5.508 -11.029 6.166 248 HE2 HIS 32 HE2 HIS 32 6.418 -9.000 4.996 249 HB2 HIS 32 1HB HIS 32 1.883 -7.527 4.372 250 HB3 HIS 32 2HB HIS 32 1.310 -8.573 5.666 251 H LEU 33 H LEU 33 1.964 -7.785 1.946 252 HA LEU 33 HA LEU 33 3.049 -9.681 0.028 253 HG LEU 33 HG LEU 33 0.771 -7.816 -0.395 254 HB2 LEU 33 1HB LEU 33 2.953 -6.650 0.100 255 HB3 LEU 33 2HB LEU 33 3.674 -7.550 -1.223 256 HD11 LEU 33 1HD1 LEU 33 0.206 -6.416 -2.319 257 HD12 LEU 33 2HD1 LEU 33 1.920 -6.171 -2.667 258 HD13 LEU 33 3HD1 LEU 33 1.219 -5.533 -1.180 259 HD21 LEU 33 3HD2 LEU 33 2.203 -8.778 -2.892 260 HD22 LEU 33 1HD2 LEU 33 0.467 -8.895 -2.589 261 HD23 LEU 33 2HD2 LEU 33 1.597 -9.791 -1.580 262 HA PRO 34 HA PRO 34 7.223 -9.587 1.653 263 HB2 PRO 34 1HB PRO 34 8.634 -10.462 -0.526 264 HB3 PRO 34 2HB PRO 34 7.560 -11.529 0.386 265 HG2 PRO 34 1HG PRO 34 7.030 -10.075 -2.192 266 HG3 PRO 34 2HG PRO 34 6.654 -11.758 -1.755 267 HD2 PRO 34 1HD PRO 34 4.794 -9.743 -1.679 268 HD3 PRO 34 2HD PRO 34 4.718 -11.145 -0.593 269 H ASN 35 H ASN 35 6.331 -7.776 -1.188 270 HA ASN 35 HA ASN 35 8.712 -6.068 -1.189 271 HB2 ASN 35 1HB ASN 35 6.273 -6.063 -3.032 272 HB3 ASN 35 2HB ASN 35 7.742 -5.120 -3.265 273 HD21 ASN 35 2HD2 ASN 35 6.270 -8.236 -3.610 274 HD22 ASN 35 1HD2 ASN 35 7.582 -9.006 -4.429 275 H ALA 36 H ALA 36 6.162 -6.132 0.768 276 HA ALA 36 HA ALA 36 5.392 -3.291 0.593 277 HB1 ALA 36 3HB ALA 36 3.484 -3.888 2.021 278 HB2 ALA 36 1HB ALA 36 4.073 -5.549 2.131 279 HB3 ALA 36 2HB ALA 36 3.538 -4.903 0.580 280 H THR 37 H THR 37 6.140 -1.866 2.032 281 HA THR 37 HA THR 37 7.721 -2.595 4.345 282 HB THR 37 HB THR 37 6.686 0.138 3.425 283 HG1 THR 37 HG1 THR 37 8.084 -0.493 1.880 284 HG21 THR 37 3HG2 THR 37 7.345 0.170 5.814 285 HG22 THR 37 1HG2 THR 37 8.475 1.099 4.827 286 HG23 THR 37 2HG2 THR 37 8.919 -0.512 5.396 287 H LEU 38 H LEU 38 6.943 -2.837 6.419 288 HA LEU 38 HA LEU 38 4.125 -2.657 7.015 289 HG LEU 38 HG LEU 38 3.887 -4.722 8.979 290 HB2 LEU 38 1HB LEU 38 6.006 -4.221 8.058 291 HB3 LEU 38 2HB LEU 38 6.286 -2.875 9.137 292 HD11 LEU 38 1HD1 LEU 38 4.289 -4.972 11.401 293 HD12 LEU 38 2HD1 LEU 38 5.648 -3.850 11.287 294 HD13 LEU 38 3HD1 LEU 38 5.707 -5.398 10.443 295 HD21 LEU 38 3HD2 LEU 38 2.650 -3.337 10.600 296 HD22 LEU 38 1HD2 LEU 38 2.840 -2.522 9.049 297 HD23 LEU 38 2HD2 LEU 38 3.848 -2.054 10.418 298 H ILE 39 H ILE 39 3.403 -0.586 6.857 299 HA ILE 39 HA ILE 39 4.187 1.287 9.013 300 HB ILE 39 HB ILE 39 3.538 2.109 6.127 301 HG12 ILE 39 1HG1 ILE 39 6.131 2.493 7.702 302 HG13 ILE 39 2HG1 ILE 39 5.884 1.310 6.431 303 HG21 ILE 39 1HG2 ILE 39 4.089 3.913 8.519 304 HG22 ILE 39 2HG2 ILE 39 2.536 3.698 7.717 305 HG23 ILE 39 3HG2 ILE 39 3.869 4.452 6.850 306 HD11 ILE 39 3HD1 ILE 39 5.583 3.145 4.811 307 HD12 ILE 39 1HD1 ILE 39 7.153 3.186 5.613 308 HD13 ILE 39 2HD1 ILE 39 5.886 4.307 6.104 309 H SER 40 H SER 40 2.362 2.184 10.023 310 HA SER 40 HA SER 40 -0.237 1.062 9.287 311 HG SER 40 HG SER 40 -1.809 1.405 11.562 312 HB2 SER 40 1HB SER 40 0.314 1.189 11.677 313 HB3 SER 40 2HB SER 40 0.522 2.937 11.563 314 H VAL 41 H VAL 41 -1.990 2.240 8.526 315 HA VAL 41 HA VAL 41 -1.834 4.606 7.074 316 HB VAL 41 HB VAL 41 -3.743 3.017 6.958 317 HG11 VAL 41 1HG1 VAL 41 -3.959 2.478 9.341 318 HG12 VAL 41 2HG1 VAL 41 -5.509 2.983 8.676 319 HG13 VAL 41 3HG1 VAL 41 -4.578 4.098 9.676 320 HG21 VAL 41 3HG2 VAL 41 -4.112 5.275 6.056 321 HG22 VAL 41 1HG2 VAL 41 -4.638 5.856 7.638 322 HG23 VAL 41 2HG2 VAL 41 -5.604 4.664 6.766 323 H ASN 42 H ASN 42 -2.023 4.134 10.521 324 HA ASN 42 HA ASN 42 -2.782 6.785 11.330 325 HB2 ASN 42 1HB ASN 42 -1.284 4.669 12.939 326 HB3 ASN 42 2HB ASN 42 -2.177 6.042 13.589 327 HD21 ASN 42 2HD2 ASN 42 -2.452 3.156 14.054 328 HD22 ASN 42 1HD2 ASN 42 -4.099 2.781 13.710 329 H ASP 43 H ASP 43 0.237 5.190 10.531 330 HA ASP 43 HA ASP 43 1.969 7.075 11.897 331 HB2 ASP 43 1HB ASP 43 2.636 4.761 10.025 332 HB3 ASP 43 2HB ASP 43 3.835 5.724 10.879 333 H GLN 44 H GLN 44 1.242 9.015 10.813 334 HA GLN 44 HA GLN 44 1.804 9.520 8.049 335 HB2 GLN 44 1HB GLN 44 1.313 11.360 10.423 336 HB3 GLN 44 2HB GLN 44 1.797 12.018 8.867 337 HG2 GLN 44 1HG GLN 44 -0.586 12.200 9.075 338 HG3 GLN 44 2HG GLN 44 -0.217 11.019 7.830 339 HE21 GLN 44 2HE2 GLN 44 -0.741 8.848 8.184 340 HE22 GLN 44 1HE2 GLN 44 -1.775 8.348 9.469 341 H GLU 45 H GLU 45 3.633 9.855 11.064 342 HA GLU 45 HA GLU 45 5.775 11.362 9.977 343 HB2 GLU 45 1HB GLU 45 7.004 10.531 12.154 344 HB3 GLU 45 2HB GLU 45 5.672 11.666 12.256 345 HG2 GLU 45 1HG GLU 45 5.393 10.098 14.013 346 HG3 GLU 45 2HG GLU 45 4.153 9.764 12.803 347 H LYS 46 H LYS 46 5.326 7.852 10.349 348 HA LYS 46 HA LYS 46 7.990 7.218 9.397 349 HB2 LYS 46 1HB LYS 46 6.817 5.709 10.967 350 HB3 LYS 46 2HB LYS 46 5.557 5.429 9.774 351 HG2 LYS 46 1HG LYS 46 6.997 3.509 9.818 352 HG3 LYS 46 2HG LYS 46 7.248 4.333 8.287 353 HD2 LYS 46 1HD LYS 46 9.127 4.946 10.570 354 HD3 LYS 46 2HD LYS 46 9.292 3.397 9.752 355 HE2 LYS 46 1HE LYS 46 9.702 4.515 7.625 356 HE3 LYS 46 2HE LYS 46 9.406 6.094 8.356 357 HZ1 LYS 46 3HZ LYS 46 11.752 5.716 8.172 358 HZ2 LYS 46 1HZ LYS 46 11.640 4.251 9.011 359 HZ3 LYS 46 2HZ LYS 46 11.328 5.702 9.803 360 H LEU 47 H LEU 47 4.732 7.400 8.014 361 HA LEU 47 HA LEU 47 5.348 6.097 5.554 362 HG LEU 47 HG LEU 47 3.213 7.487 3.676 363 HB2 LEU 47 1HB LEU 47 3.048 6.410 6.522 364 HB3 LEU 47 2HB LEU 47 3.126 8.097 6.069 365 HD11 LEU 47 1HD1 LEU 47 4.422 5.361 3.802 366 HD12 LEU 47 2HD1 LEU 47 2.904 5.151 2.938 367 HD13 LEU 47 3HD1 LEU 47 3.046 4.597 4.606 368 HD21 LEU 47 3HD2 LEU 47 0.942 6.101 5.143 369 HD22 LEU 47 1HD2 LEU 47 0.933 6.600 3.449 370 HD23 LEU 47 2HD2 LEU 47 1.015 7.814 4.720 371 H ALA 48 H ALA 48 5.012 9.507 6.433 372 HA ALA 48 HA ALA 48 5.777 10.650 3.966 373 HB1 ALA 48 3HB ALA 48 5.941 11.850 6.748 374 HB2 ALA 48 1HB ALA 48 4.524 11.872 5.697 375 HB3 ALA 48 2HB ALA 48 5.985 12.740 5.223 376 H ASP 49 H ASP 49 7.643 9.662 6.856 377 HA ASP 49 HA ASP 49 10.167 10.676 6.105 378 HB2 ASP 49 1HB ASP 49 9.798 9.790 8.365 379 HB3 ASP 49 2HB ASP 49 9.517 8.178 7.724 380 H PHE 50 H PHE 50 8.637 7.529 5.391 381 HA PHE 50 HA PHE 50 10.765 6.316 3.996 382 HD1 PHE 50 HD1 PHE 50 10.664 3.530 3.983 383 HD2 PHE 50 HD2 PHE 50 7.533 4.951 1.433 384 HE1 PHE 50 HE1 PHE 50 11.159 1.742 2.367 385 HE2 PHE 50 HE2 PHE 50 8.038 3.151 -0.172 386 HZ PHE 50 HZ PHE 50 9.851 1.549 0.295 387 HB2 PHE 50 1HB PHE 50 8.785 5.065 4.833 388 HB3 PHE 50 2HB PHE 50 7.762 5.871 3.651 389 H LEU 51 H LEU 51 8.095 8.337 2.907 390 HA LEU 51 HA LEU 51 8.707 8.290 0.103 391 HG LEU 51 HG LEU 51 6.094 7.996 1.899 392 HB2 LEU 51 1HB LEU 51 7.059 10.293 1.695 393 HB3 LEU 51 2HB LEU 51 7.063 10.121 -0.056 394 HD11 LEU 51 1HD1 LEU 51 4.601 9.912 1.893 395 HD12 LEU 51 2HD1 LEU 51 3.840 8.529 1.113 396 HD13 LEU 51 3HD1 LEU 51 4.486 9.848 0.132 397 HD21 LEU 51 3HD2 LEU 51 5.196 6.818 -0.056 398 HD22 LEU 51 1HD2 LEU 51 6.948 6.974 -0.162 399 HD23 LEU 51 2HD2 LEU 51 5.911 8.023 -1.130 400 H SER 52 H SER 52 9.791 10.208 2.824 401 HA SER 52 HA SER 52 10.975 12.327 1.268 402 HG SER 52 HG SER 52 11.718 14.043 4.192 403 HB2 SER 52 1HB SER 52 10.086 12.725 3.548 404 HB3 SER 52 2HB SER 52 11.321 11.655 4.213 405 H GLN 53 H GLN 53 12.067 9.256 2.622 406 HA GLN 53 HA GLN 53 14.857 9.594 2.683 407 HB2 GLN 53 1HB GLN 53 13.210 7.083 2.144 408 HB3 GLN 53 2HB GLN 53 14.955 7.058 2.378 409 HG2 GLN 53 1HG GLN 53 12.923 7.986 4.424 410 HG3 GLN 53 2HG GLN 53 13.723 6.418 4.408 411 HE21 GLN 53 2HE2 GLN 53 13.747 8.573 6.431 412 HE22 GLN 53 1HE2 GLN 53 15.414 8.940 6.692 413 H HIS 54 H HIS 54 12.703 8.656 0.109 414 HA HIS 54 HA HIS 54 14.606 9.509 -1.932 415 HD1 HIS 54 HD1 HIS 54 16.581 7.868 -3.177 416 HD2 HIS 54 HD2 HIS 54 14.817 5.323 -0.400 417 HE1 HIS 54 HE1 HIS 54 18.469 6.541 -2.181 418 HE2 HIS 54 HE2 HIS 54 17.357 4.913 -0.614 419 HB2 HIS 54 1HB HIS 54 13.124 6.827 -1.980 420 HB3 HIS 54 2HB HIS 54 13.891 7.546 -3.401 421 H LYS 55 H LYS 55 13.421 11.310 -2.316 422 HA LYS 55 HA LYS 55 10.552 11.180 -2.906 423 HB2 LYS 55 1HB LYS 55 12.506 13.522 -2.849 424 HB3 LYS 55 2HB LYS 55 10.795 13.682 -3.246 425 HG2 LYS 55 1HG LYS 55 10.218 12.743 -1.015 426 HG3 LYS 55 2HG LYS 55 11.933 12.674 -0.625 427 HD2 LYS 55 1HD LYS 55 10.766 14.607 0.392 428 HD3 LYS 55 2HD LYS 55 12.098 15.099 -0.660 429 HE2 LYS 55 1HE LYS 55 10.537 15.754 -2.390 430 HE3 LYS 55 2HE LYS 55 9.180 15.067 -1.494 431 HZ1 LYS 55 3HZ LYS 55 9.226 17.437 -1.241 432 HZ2 LYS 55 1HZ LYS 55 10.819 17.402 -0.669 433 HZ3 LYS 55 2HZ LYS 55 9.576 16.715 0.246 434 H ASP 56 H ASP 56 12.919 10.074 -4.611 435 HA ASP 56 HA ASP 56 11.788 10.855 -7.227 436 HB2 ASP 56 1HB ASP 56 14.033 11.889 -6.936 437 HB3 ASP 56 2HB ASP 56 14.721 10.322 -6.543 438 H LYS 57 H LYS 57 10.387 9.041 -6.756 439 HA LYS 57 HA LYS 57 11.355 6.465 -7.648 440 HB2 LYS 57 1HB LYS 57 11.049 5.203 -5.675 441 HB3 LYS 57 2HB LYS 57 11.875 6.644 -5.111 442 HG2 LYS 57 1HG LYS 57 8.968 5.897 -4.748 443 HG3 LYS 57 2HG LYS 57 10.205 6.085 -3.509 444 HD2 LYS 57 1HD LYS 57 10.256 8.553 -4.031 445 HD3 LYS 57 2HD LYS 57 8.916 8.298 -5.135 446 HE2 LYS 57 1HE LYS 57 8.177 9.132 -2.930 447 HE3 LYS 57 2HE LYS 57 7.482 7.558 -3.335 448 HZ1 LYS 57 3HZ LYS 57 9.222 6.520 -1.978 449 HZ2 LYS 57 1HZ LYS 57 8.250 7.565 -1.079 450 HZ3 LYS 57 2HZ LYS 57 9.795 8.049 -1.547 451 H LYS 58 H LYS 58 9.333 4.805 -7.165 452 HA LYS 58 HA LYS 58 6.738 6.164 -7.558 453 HB2 LYS 58 1HB LYS 58 7.809 5.160 -9.686 454 HB3 LYS 58 2HB LYS 58 7.451 3.581 -8.968 455 HG2 LYS 58 1HG LYS 58 5.096 4.014 -8.996 456 HG3 LYS 58 2HG LYS 58 5.339 5.716 -9.388 457 HD2 LYS 58 1HD LYS 58 4.605 4.457 -11.355 458 HD3 LYS 58 2HD LYS 58 6.224 5.118 -11.576 459 HE2 LYS 58 1HE LYS 58 7.206 2.906 -11.110 460 HE3 LYS 58 2HE LYS 58 5.597 2.240 -10.825 461 HZ1 LYS 58 3HZ LYS 58 6.650 3.300 -13.387 462 HZ2 LYS 58 1HZ LYS 58 5.053 2.798 -13.143 463 HZ3 LYS 58 2HZ LYS 58 6.315 1.683 -13.016 464 H VAL 59 H VAL 59 5.929 5.782 -5.466 465 HA VAL 59 HA VAL 59 6.066 3.017 -4.384 466 HB VAL 59 HB VAL 59 5.612 5.692 -2.982 467 HG11 VAL 59 1HG1 VAL 59 5.380 4.471 -0.830 468 HG12 VAL 59 2HG1 VAL 59 5.334 2.936 -1.706 469 HG13 VAL 59 3HG1 VAL 59 4.045 4.118 -1.926 470 HG21 VAL 59 3HG2 VAL 59 7.720 3.526 -2.606 471 HG22 VAL 59 1HG2 VAL 59 7.623 5.043 -1.701 472 HG23 VAL 59 2HG2 VAL 59 7.946 5.068 -3.433 473 H LEU 60 H LEU 60 4.299 1.900 -3.769 474 HA LEU 60 HA LEU 60 1.590 2.882 -4.456 475 HG LEU 60 HG LEU 60 0.745 -0.382 -6.275 476 HB2 LEU 60 1HB LEU 60 2.422 1.243 -6.094 477 HB3 LEU 60 2HB LEU 60 2.845 0.117 -4.828 478 HD11 LEU 60 1HD1 LEU 60 -0.451 -1.462 -4.483 479 HD12 LEU 60 2HD1 LEU 60 0.359 -0.457 -3.279 480 HD13 LEU 60 3HD1 LEU 60 1.283 -1.627 -4.222 481 HD21 LEU 60 3HD2 LEU 60 -0.212 1.867 -6.216 482 HD22 LEU 60 1HD2 LEU 60 -0.505 1.700 -4.482 483 HD23 LEU 60 2HD2 LEU 60 -1.343 0.653 -5.630 484 H LEU 61 H LEU 61 0.378 3.071 -2.634 485 HA LEU 61 HA LEU 61 1.053 1.608 -0.166 486 HG LEU 61 HG LEU 61 1.056 4.915 -1.040 487 HB2 LEU 61 1HB LEU 61 -1.043 3.785 -0.544 488 HB3 LEU 61 2HB LEU 61 -0.417 3.179 0.975 489 HD11 LEU 61 1HD1 LEU 61 0.185 5.496 1.809 490 HD12 LEU 61 2HD1 LEU 61 -0.566 6.133 0.347 491 HD13 LEU 61 3HD1 LEU 61 1.085 6.590 0.754 492 HD21 LEU 61 3HD2 LEU 61 2.944 4.939 0.538 493 HD22 LEU 61 1HD2 LEU 61 2.648 3.321 -0.095 494 HD23 LEU 61 2HD2 LEU 61 2.128 3.737 1.540 495 H HIS 62 H HIS 62 0.147 -0.468 -0.328 496 HA HIS 62 HA HIS 62 -2.543 -0.759 -1.475 497 HD1 HIS 62 HD1 HIS 62 -2.580 -4.589 0.136 498 HD2 HIS 62 HD2 HIS 62 1.274 -3.080 0.151 499 HE1 HIS 62 HE1 HIS 62 -1.301 -6.052 1.712 500 HE2 HIS 62 HE2 HIS 62 0.961 -4.979 1.858 501 HB2 HIS 62 1HB HIS 62 -2.104 -3.016 -1.816 502 HB3 HIS 62 2HB HIS 62 -0.491 -2.339 -1.958 503 H CYS 63 H CYS 63 -4.280 -1.699 -0.418 504 HA CYS 63 HA CYS 63 -4.145 -2.058 2.521 505 HG CYS 63 HG CYS 63 -6.309 -0.961 4.354 506 HB2 CYS 63 1HB CYS 63 -4.985 0.194 2.246 507 HB3 CYS 63 2HB CYS 63 -6.126 -0.320 1.003 508 H ARG 64 H ARG 64 -5.865 -3.272 3.387 509 HA ARG 64 HA ARG 64 -6.562 -5.676 2.072 510 HE ARG 64 HE ARG 64 -9.307 -8.428 5.560 511 HB2 ARG 64 1HB ARG 64 -6.237 -5.371 4.493 512 HB3 ARG 64 2HB ARG 64 -7.683 -4.384 4.587 513 HG2 ARG 64 1HG ARG 64 -9.095 -6.298 4.146 514 HG3 ARG 64 2HG ARG 64 -7.690 -7.306 3.773 515 HD2 ARG 64 1HD ARG 64 -6.895 -7.132 6.058 516 HD3 ARG 64 2HD ARG 64 -8.183 -6.000 6.465 517 HH11 ARG 64 1HH1 ARG 64 -7.564 -7.117 8.334 518 HH12 ARG 64 2HH1 ARG 64 -8.263 -8.243 9.453 519 HH21 ARG 64 1HH2 ARG 64 -10.230 -9.874 7.085 520 HH22 ARG 64 2HH2 ARG 64 -9.766 -9.774 8.754 521 H ALA 65 H ALA 65 -8.237 -2.616 2.310 522 HA ALA 65 HA ALA 65 -10.411 -3.682 0.585 523 HB1 ALA 65 3HB ALA 65 -11.921 -1.985 1.544 524 HB2 ALA 65 1HB ALA 65 -10.636 -1.420 2.615 525 HB3 ALA 65 2HB ALA 65 -11.299 -3.042 2.811 526 H GLY 66 H GLY 66 -8.846 -0.632 1.571 527 HA2 GLY 66 1HA GLY 66 -7.567 0.451 -0.403 528 HA3 GLY 66 2HA GLY 66 -9.149 0.453 -1.169 529 H ARG 67 H ARG 67 -9.998 0.857 1.885 530 HA ARG 67 HA ARG 67 -10.502 3.646 1.740 531 HE ARG 67 HE ARG 67 -11.203 5.656 2.736 532 HB2 ARG 67 1HB ARG 67 -11.652 1.656 3.132 533 HB3 ARG 67 2HB ARG 67 -10.532 2.157 4.381 534 HG2 ARG 67 1HG ARG 67 -12.673 3.895 3.115 535 HG3 ARG 67 2HG ARG 67 -12.788 3.093 4.675 536 HD2 ARG 67 1HD ARG 67 -12.218 5.223 5.357 537 HD3 ARG 67 2HD ARG 67 -10.606 4.526 5.206 538 HH11 ARG 67 1HH1 ARG 67 -10.853 6.833 6.029 539 HH12 ARG 67 2HH1 ARG 67 -10.324 8.408 5.538 540 HH21 ARG 67 1HH2 ARG 67 -10.504 7.724 2.106 541 HH22 ARG 67 2HH2 ARG 67 -10.124 8.914 3.311 542 H ARG 68 H ARG 68 -8.182 1.678 3.616 543 HA ARG 68 HA ARG 68 -6.831 3.867 4.875 544 HE ARG 68 HE ARG 68 -8.689 0.643 7.927 545 HB2 ARG 68 1HB ARG 68 -5.726 1.066 4.410 546 HB3 ARG 68 2HB ARG 68 -5.184 2.225 5.619 547 HG2 ARG 68 1HG ARG 68 -7.799 0.708 5.551 548 HG3 ARG 68 2HG ARG 68 -6.489 0.531 6.709 549 HD2 ARG 68 1HD ARG 68 -6.949 2.819 7.552 550 HD3 ARG 68 2HD ARG 68 -8.287 2.963 6.406 551 HH11 ARG 68 1HH1 ARG 68 -8.661 4.114 8.503 552 HH12 ARG 68 2HH1 ARG 68 -9.795 4.021 9.811 553 HH21 ARG 68 1HH2 ARG 68 -10.166 0.552 9.651 554 HH22 ARG 68 2HH2 ARG 68 -10.650 2.010 10.454 555 H ALA 69 H ALA 69 -6.356 2.051 1.900 556 HA ALA 69 HA ALA 69 -3.789 2.899 1.133 557 HB1 ALA 69 3HB ALA 69 -6.153 2.213 -0.660 558 HB2 ALA 69 1HB ALA 69 -4.989 1.061 0.001 559 HB3 ALA 69 2HB ALA 69 -4.461 2.275 -1.158 560 H LEU 70 H LEU 70 -6.971 4.147 0.189 561 HA LEU 70 HA LEU 70 -6.235 6.440 -1.188 562 HG LEU 70 HG LEU 70 -8.646 8.291 0.086 563 HB2 LEU 70 1HB LEU 70 -8.513 5.559 -1.261 564 HB3 LEU 70 2HB LEU 70 -8.717 5.825 0.463 565 HD11 LEU 70 1HD1 LEU 70 -7.282 8.399 -1.932 566 HD12 LEU 70 2HD1 LEU 70 -8.818 9.222 -2.182 567 HD13 LEU 70 3HD1 LEU 70 -8.560 7.616 -2.867 568 HD21 LEU 70 3HD2 LEU 70 -10.751 6.884 -1.590 569 HD22 LEU 70 1HD2 LEU 70 -10.862 8.522 -0.938 570 HD23 LEU 70 2HD2 LEU 70 -10.824 7.141 0.155 571 H ASP 71 H ASP 71 -7.214 6.143 2.234 572 HA ASP 71 HA ASP 71 -7.130 8.830 2.946 573 HB2 ASP 71 1HB ASP 71 -8.218 7.039 4.275 574 HB3 ASP 71 2HB ASP 71 -6.642 6.416 4.735 575 H ALA 72 H ALA 72 -4.632 6.367 3.482 576 HA ALA 72 HA ALA 72 -2.701 7.961 4.749 577 HB1 ALA 72 3HB ALA 72 -2.288 5.496 3.022 578 HB2 ALA 72 1HB ALA 72 -2.675 5.500 4.745 579 HB3 ALA 72 2HB ALA 72 -1.138 6.152 4.188 580 H ALA 73 H ALA 73 -3.159 7.130 1.317 581 HA ALA 73 HA ALA 73 -0.949 8.583 0.297 582 HB1 ALA 73 3HB ALA 73 -1.966 8.231 -1.899 583 HB2 ALA 73 1HB ALA 73 -3.482 7.738 -1.143 584 HB3 ALA 73 2HB ALA 73 -2.033 6.750 -0.943 585 H LYS 74 H LYS 74 -4.290 9.574 1.063 586 HA LYS 74 HA LYS 74 -4.341 12.014 -0.399 587 HB2 LYS 74 1HB LYS 74 -5.808 11.481 2.224 588 HB3 LYS 74 2HB LYS 74 -6.161 12.767 1.073 589 HG2 LYS 74 1HG LYS 74 -6.674 10.894 -0.611 590 HG3 LYS 74 2HG LYS 74 -6.619 9.801 0.764 591 HD2 LYS 74 1HD LYS 74 -8.912 10.310 0.463 592 HD3 LYS 74 2HD LYS 74 -8.407 11.278 1.847 593 HE2 LYS 74 1HE LYS 74 -8.198 13.258 0.377 594 HE3 LYS 74 2HE LYS 74 -8.698 12.278 -1.009 595 HZ1 LYS 74 3HZ LYS 74 -10.335 12.865 1.401 596 HZ2 LYS 74 1HZ LYS 74 -10.818 11.888 0.103 597 HZ3 LYS 74 2HZ LYS 74 -10.544 13.537 -0.137 598 H SER 75 H SER 75 -3.667 11.328 2.990 599 HA SER 75 HA SER 75 -2.912 13.785 3.955 600 HG SER 75 HG SER 75 -3.949 11.017 4.837 601 HB2 SER 75 1HB SER 75 -1.680 11.091 4.693 602 HB3 SER 75 2HB SER 75 -1.704 12.541 5.705 603 H MET 76 H MET 76 -0.918 11.400 2.231 604 HA MET 76 HA MET 76 1.556 12.831 2.532 605 HB2 MET 76 1HB MET 76 0.818 10.535 0.683 606 HB3 MET 76 2HB MET 76 2.456 11.114 0.995 607 HG2 MET 76 1HG MET 76 0.579 9.866 3.007 608 HG3 MET 76 2HG MET 76 2.025 9.136 2.311 609 HE1 MET 76 3HE MET 76 2.032 10.947 6.264 610 HE2 MET 76 1HE MET 76 1.374 9.477 5.545 611 HE3 MET 76 2HE MET 76 0.594 11.031 5.247 612 H HIS 77 H HIS 77 -0.836 12.581 -0.104 613 HA HIS 77 HA HIS 77 0.551 14.200 -1.974 614 HD1 HIS 77 HD1 HIS 77 -1.288 13.810 -5.117 615 HD2 HIS 77 HD2 HIS 77 -0.808 10.828 -2.260 616 HE1 HIS 77 HE1 HIS 77 -0.765 11.716 -6.395 617 HE2 HIS 77 HE2 HIS 77 -0.657 9.913 -4.660 618 HB2 HIS 77 1HB HIS 77 -2.322 13.355 -1.688 619 HB3 HIS 77 2HB HIS 77 -1.921 14.614 -2.845 620 H GLU 78 H GLU 78 -1.487 14.981 0.779 621 HA GLU 78 HA GLU 78 -1.710 17.796 0.313 622 HB2 GLU 78 1HB GLU 78 -1.915 16.262 2.941 623 HB3 GLU 78 2HB GLU 78 -2.489 17.904 2.660 624 HG2 GLU 78 1HG GLU 78 -3.550 15.445 1.254 625 HG3 GLU 78 2HG GLU 78 -4.284 16.152 2.673 626 H LEU 79 H LEU 79 0.669 15.690 1.817 627 HA LEU 79 HA LEU 79 2.314 17.826 2.903 628 HG LEU 79 HG LEU 79 1.160 15.030 4.059 629 HB2 LEU 79 1HB LEU 79 3.012 14.892 2.491 630 HB3 LEU 79 2HB LEU 79 3.937 16.047 3.443 631 HD11 LEU 79 1HD1 LEU 79 2.160 13.939 6.006 632 HD12 LEU 79 2HD1 LEU 79 3.759 14.486 5.496 633 HD13 LEU 79 3HD1 LEU 79 2.855 13.346 4.498 634 HD21 LEU 79 3HD2 LEU 79 2.822 16.990 5.666 635 HD22 LEU 79 1HD2 LEU 79 1.301 16.261 6.190 636 HD23 LEU 79 2HD2 LEU 79 1.324 17.349 4.805 637 H GLY 80 H GLY 80 1.783 16.765 -0.209 638 HA2 GLY 80 1HA GLY 80 2.719 17.929 -2.038 639 HA3 GLY 80 2HA GLY 80 4.226 18.121 -1.162 640 H TYR 81 H TYR 81 3.601 15.001 -0.545 641 HA TYR 81 HA TYR 81 5.347 13.990 -2.645 642 HD1 TYR 81 HD2 TYR 81 7.447 13.160 -1.040 643 HD2 TYR 81 HD1 TYR 81 4.050 13.132 1.578 644 HE1 TYR 81 HE2 TYR 81 8.878 13.784 0.841 645 HE2 TYR 81 HE1 TYR 81 5.508 13.766 3.455 646 HH TYR 81 HH TYR 81 7.935 13.592 4.064 647 HB2 TYR 81 1HB TYR 81 3.759 12.356 -0.614 648 HB3 TYR 81 2HB TYR 81 5.163 11.823 -1.533 649 H THR 82 H THR 82 4.592 11.856 -3.815 650 HA THR 82 HA THR 82 1.721 11.835 -4.471 651 HB THR 82 HB THR 82 2.376 11.525 -6.978 652 HG1 THR 82 HG1 THR 82 4.725 12.912 -6.142 653 HG21 THR 82 3HG2 THR 82 2.783 14.289 -5.782 654 HG22 THR 82 1HG2 THR 82 1.226 13.575 -6.212 655 HG23 THR 82 2HG2 THR 82 2.410 13.937 -7.471 656 HA PRO 83 HA PRO 83 3.196 7.401 -4.284 657 HB2 PRO 83 1HB PRO 83 1.905 6.589 -2.037 658 HB3 PRO 83 2HB PRO 83 3.507 7.339 -1.958 659 HG2 PRO 83 1HG PRO 83 0.801 8.601 -1.491 660 HG3 PRO 83 2HG PRO 83 2.286 8.745 -0.524 661 HD2 PRO 83 1HD PRO 83 1.518 10.637 -2.341 662 HD3 PRO 83 2HD PRO 83 3.220 10.320 -1.946 663 H TYR 84 H TYR 84 1.921 5.992 -5.372 664 HA TYR 84 HA TYR 84 -0.856 6.412 -5.987 665 HD1 TYR 84 HD1 TYR 84 2.739 5.741 -7.204 666 HD2 TYR 84 HD2 TYR 84 -1.023 5.267 -9.187 667 HE1 TYR 84 HE1 TYR 84 3.634 6.888 -9.188 668 HE2 TYR 84 HE2 TYR 84 -0.118 6.410 -11.165 669 HH TYR 84 HH TYR 84 3.121 6.904 -11.691 670 HB2 TYR 84 1HB TYR 84 0.969 4.002 -6.445 671 HB3 TYR 84 2HB TYR 84 -0.664 4.150 -7.094 672 H TYR 85 H TYR 85 -2.393 4.399 -5.623 673 HA TYR 85 HA TYR 85 -1.925 3.012 -3.103 674 HD1 TYR 85 HD1 TYR 85 -3.357 6.777 -4.144 675 HD2 TYR 85 HD2 TYR 85 -6.232 3.809 -3.047 676 HE1 TYR 85 HE1 TYR 85 -5.130 8.081 -5.217 677 HE2 TYR 85 HE2 TYR 85 -7.999 5.124 -4.128 678 HH TYR 85 HH TYR 85 -7.363 7.658 -6.229 679 HB2 TYR 85 1HB TYR 85 -4.017 3.775 -2.056 680 HB3 TYR 85 2HB TYR 85 -2.901 5.098 -2.313 681 H LEU 86 H LEU 86 -3.007 1.121 -2.923 682 HA LEU 86 HA LEU 86 -4.379 0.156 -5.339 683 HG LEU 86 HG LEU 86 -2.749 -3.211 -4.988 684 HB2 LEU 86 1HB LEU 86 -2.264 -0.945 -4.727 685 HB3 LEU 86 2HB LEU 86 -2.909 -1.375 -3.162 686 HD11 LEU 86 1HD1 LEU 86 -5.422 -2.903 -3.602 687 HD12 LEU 86 2HD1 LEU 86 -3.964 -3.603 -2.901 688 HD13 LEU 86 3HD1 LEU 86 -4.749 -4.397 -4.264 689 HD21 LEU 86 3HD2 LEU 86 -3.697 -1.887 -6.824 690 HD22 LEU 86 1HD2 LEU 86 -5.261 -1.866 -6.004 691 HD23 LEU 86 2HD2 LEU 86 -4.576 -3.390 -6.570 692 H GLU 87 H GLU 87 -6.491 0.119 -5.148 693 HA GLU 87 HA GLU 87 -7.863 -0.606 -2.646 694 HB2 GLU 87 1HB GLU 87 -8.965 0.365 -5.323 695 HB3 GLU 87 2HB GLU 87 -9.922 0.050 -3.877 696 HG2 GLU 87 1HG GLU 87 -8.623 1.850 -2.695 697 HG3 GLU 87 2HG GLU 87 -7.813 2.206 -4.219 698 H GLY 88 H GLY 88 -7.859 -2.744 -2.367 699 HA2 GLY 88 1HA GLY 88 -9.329 -4.570 -3.895 700 HA3 GLY 88 2HA GLY 88 -7.635 -4.757 -4.348 701 H ASN 89 H ASN 89 -9.146 -6.788 -3.069 702 HA ASN 89 HA ASN 89 -8.765 -6.710 -0.200 703 HB2 ASN 89 1HB ASN 89 -9.757 -8.917 -2.042 704 HB3 ASN 89 2HB ASN 89 -9.711 -9.057 -0.293 705 HD21 ASN 89 2HD2 ASN 89 -11.122 -7.720 0.959 706 HD22 ASN 89 1HD2 ASN 89 -12.538 -7.020 0.261 707 H VAL 90 H VAL 90 -7.127 -7.588 0.984 708 HA VAL 90 HA VAL 90 -4.654 -8.047 -0.286 709 HB VAL 90 HB VAL 90 -4.845 -7.049 1.985 710 HG11 VAL 90 1HG1 VAL 90 -5.415 -9.863 2.974 711 HG12 VAL 90 2HG1 VAL 90 -6.548 -8.510 2.969 712 HG13 VAL 90 3HG1 VAL 90 -5.110 -8.449 3.988 713 HG21 VAL 90 3HG2 VAL 90 -2.665 -7.895 1.232 714 HG22 VAL 90 1HG2 VAL 90 -3.041 -9.497 1.877 715 HG23 VAL 90 2HG2 VAL 90 -2.845 -8.126 2.969 716 H TYR 91 H TYR 91 -7.083 -10.288 0.835 717 HA TYR 91 HA TYR 91 -5.494 -12.682 0.756 718 HD1 TYR 91 HD1 TYR 91 -8.406 -10.409 2.166 719 HD2 TYR 91 HD2 TYR 91 -7.115 -14.326 3.270 720 HE1 TYR 91 HE1 TYR 91 -8.578 -9.790 4.527 721 HE2 TYR 91 HE2 TYR 91 -7.307 -13.713 5.644 722 HH TYR 91 HH TYR 91 -7.235 -11.580 6.999 723 HB2 TYR 91 1HB TYR 91 -8.530 -12.409 0.549 724 HB3 TYR 91 2HB TYR 91 -7.643 -13.872 0.965 725 H ASP 92 H ASP 92 -7.401 -10.859 -1.505 726 HA ASP 92 HA ASP 92 -7.635 -12.891 -3.533 727 HB2 ASP 92 1HB ASP 92 -8.433 -9.972 -3.373 728 HB3 ASP 92 2HB ASP 92 -8.539 -10.837 -4.898 729 H PHE 93 H PHE 93 -5.119 -10.718 -2.724 730 HA PHE 93 HA PHE 93 -3.972 -10.094 -5.200 731 HD1 PHE 93 HD1 PHE 93 -4.796 -8.445 -3.965 732 HD2 PHE 93 HD2 PHE 93 -1.273 -8.777 -1.594 733 HE1 PHE 93 HE1 PHE 93 -5.232 -6.226 -3.024 734 HE2 PHE 93 HE2 PHE 93 -1.717 -6.567 -0.659 735 HZ PHE 93 HZ PHE 93 -3.686 -5.277 -1.356 736 HB2 PHE 93 1HB PHE 93 -2.518 -10.832 -2.625 737 HB3 PHE 93 2HB PHE 93 -1.765 -10.056 -4.015 738 H GLU 94 H GLU 94 -3.570 -12.960 -3.162 739 HA GLU 94 HA GLU 94 -1.503 -14.140 -4.702 740 HB2 GLU 94 1HB GLU 94 -2.053 -14.502 -2.206 741 HB3 GLU 94 2HB GLU 94 -3.295 -15.629 -2.746 742 HG2 GLU 94 1HG GLU 94 -1.420 -16.841 -4.017 743 HG3 GLU 94 2HG GLU 94 -0.300 -15.814 -3.111 744 H LYS 95 H LYS 95 -5.034 -14.640 -4.612 745 HA LYS 95 HA LYS 95 -5.021 -16.912 -6.379 746 HB2 LYS 95 1HB LYS 95 -7.475 -16.729 -6.397 747 HB3 LYS 95 2HB LYS 95 -6.852 -16.635 -4.755 748 HG2 LYS 95 1HG LYS 95 -7.153 -14.199 -4.765 749 HG3 LYS 95 2HG LYS 95 -7.729 -14.265 -6.427 750 HD2 LYS 95 1HD LYS 95 -9.640 -14.029 -4.972 751 HD3 LYS 95 2HD LYS 95 -9.677 -15.652 -5.657 752 HE2 LYS 95 1HE LYS 95 -8.519 -15.110 -2.910 753 HE3 LYS 95 2HE LYS 95 -10.244 -15.377 -3.151 754 HZ1 LYS 95 3HZ LYS 95 -9.186 -17.416 -2.540 755 HZ2 LYS 95 1HZ LYS 95 -8.060 -17.281 -3.792 756 HZ3 LYS 95 2HZ LYS 95 -9.692 -17.540 -4.147 757 H TYR 96 H TYR 96 -5.217 -13.428 -6.854 758 HA TYR 96 HA TYR 96 -5.855 -13.478 -9.653 759 HD1 TYR 96 HD2 TYR 96 -7.418 -12.625 -7.453 760 HD2 TYR 96 HD1 TYR 96 -6.173 -9.353 -9.911 761 HE1 TYR 96 HE2 TYR 96 -9.694 -11.704 -7.397 762 HE2 TYR 96 HE1 TYR 96 -8.455 -8.447 -9.850 763 HH TYR 96 HH TYR 96 -10.771 -9.280 -9.476 764 HB2 TYR 96 1HB TYR 96 -4.708 -11.394 -7.782 765 HB3 TYR 96 2HB TYR 96 -4.631 -11.111 -9.515 766 H GLY 97 H GLY 97 -2.888 -13.768 -7.775 767 HA2 GLY 97 1HA GLY 97 -1.285 -15.376 -8.773 768 HA3 GLY 97 2HA GLY 97 -1.393 -14.458 -10.266 769 H PHE 98 H PHE 98 -1.299 -12.797 -7.203 770 HA PHE 98 HA PHE 98 1.388 -11.746 -7.805 771 HD1 PHE 98 HD1 PHE 98 1.320 -8.995 -8.436 772 HD2 PHE 98 HD2 PHE 98 -2.588 -10.323 -7.307 773 HE1 PHE 98 HE1 PHE 98 0.341 -7.716 -10.294 774 HE2 PHE 98 HE2 PHE 98 -3.555 -9.037 -9.169 775 HZ PHE 98 HZ PHE 98 -2.093 -7.736 -10.661 776 HB2 PHE 98 1HB PHE 98 -0.722 -10.733 -5.841 777 HB3 PHE 98 2HB PHE 98 0.837 -9.967 -6.145 778 H ARG 99 H ARG 99 3.079 -11.973 -6.426 779 HA ARG 99 HA ARG 99 3.189 -14.202 -4.686 780 HE ARG 99 HE ARG 99 7.423 -14.137 -1.982 781 HB2 ARG 99 1HB ARG 99 5.183 -13.636 -5.833 782 HB3 ARG 99 2HB ARG 99 5.098 -11.948 -5.365 783 HG2 ARG 99 1HG ARG 99 6.937 -13.054 -4.217 784 HG3 ARG 99 2HG ARG 99 5.711 -12.543 -3.063 785 HD2 ARG 99 1HD ARG 99 4.842 -14.879 -3.014 786 HD3 ARG 99 2HD ARG 99 6.178 -15.363 -4.070 787 HH11 ARG 99 1HH1 ARG 99 5.141 -16.809 -2.178 788 HH12 ARG 99 2HH1 ARG 99 5.686 -17.539 -0.703 789 HH21 ARG 99 1HH2 ARG 99 8.128 -15.112 -0.053 790 HH22 ARG 99 2HH2 ARG 99 7.371 -16.574 0.500 791 H MET 100 H MET 100 2.775 -14.384 -2.635 792 HA MET 100 HA MET 100 2.626 -12.064 -0.818 793 HB2 MET 100 1HB MET 100 0.566 -14.299 -1.013 794 HB3 MET 100 2HB MET 100 0.627 -13.116 0.285 795 HG2 MET 100 1HG MET 100 0.385 -11.353 -1.619 796 HG3 MET 100 2HG MET 100 -0.163 -12.721 -2.588 797 HE1 MET 100 3HE MET 100 -2.236 -11.286 1.282 798 HE2 MET 100 1HE MET 100 -0.801 -10.527 0.590 799 HE3 MET 100 2HE MET 100 -0.695 -12.144 1.294 800 H VAL 101 H VAL 101 2.582 -12.775 1.500 801 HA VAL 101 HA VAL 101 4.086 -15.277 2.013 802 HB VAL 101 HB VAL 101 4.507 -12.651 3.531 803 HG11 VAL 101 1HG1 VAL 101 6.465 -13.783 4.534 804 HG12 VAL 101 2HG1 VAL 101 6.062 -15.265 3.662 805 HG13 VAL 101 3HG1 VAL 101 4.967 -14.641 4.897 806 HG21 VAL 101 3HG2 VAL 101 6.693 -12.458 2.411 807 HG22 VAL 101 1HG2 VAL 101 5.378 -12.421 1.238 808 HG23 VAL 101 2HG2 VAL 101 6.338 -13.889 1.437 809 H TYR 102 H TYR 102 3.431 -16.422 3.825 810 HA TYR 102 HA TYR 102 1.159 -15.460 5.456 811 HD1 TYR 102 HD2 TYR 102 1.332 -16.738 1.886 812 HD2 TYR 102 HD1 TYR 102 -1.890 -16.764 4.688 813 HE1 TYR 102 HE2 TYR 102 -0.152 -15.794 0.191 814 HE2 TYR 102 HE1 TYR 102 -3.373 -15.814 2.977 815 HH TYR 102 HH TYR 102 -2.471 -15.604 -0.323 816 HB2 TYR 102 1HB TYR 102 1.380 -18.175 4.052 817 HB3 TYR 102 2HB TYR 102 0.184 -17.802 5.297 818 H ASP 103 H ASP 103 0.844 -16.920 7.402 819 HA ASP 103 HA ASP 103 1.578 -17.593 9.437 820 HB2 ASP 103 1HB ASP 103 2.031 -19.689 8.103 821 HB3 ASP 103 2HB ASP 103 3.681 -19.141 7.843 822 H ASP 104 H ASP 104 2.346 -15.138 8.686 823 HA ASP 104 HA ASP 104 5.162 -14.627 8.577 824 HB2 ASP 104 1HB ASP 104 3.092 -12.498 9.164 825 HB3 ASP 104 2HB ASP 104 4.595 -12.350 8.254 826 H THR 105 H THR 105 2.721 -14.583 11.042 827 HA THR 105 HA THR 105 3.973 -13.264 13.145 828 HB THR 105 HB THR 105 1.669 -13.864 13.362 829 HG1 THR 105 HG1 THR 105 2.881 -13.868 15.304 830 HG21 THR 105 3HG2 THR 105 0.809 -16.166 13.576 831 HG22 THR 105 1HG2 THR 105 2.425 -16.808 13.266 832 HG23 THR 105 2HG2 THR 105 1.571 -15.921 12.004 833 H CYS 106 H CYS 106 6.067 -13.623 13.576 834 HA CYS 106 HA CYS 106 7.357 -16.177 13.301 835 HG CYS 106 HG CYS 106 10.015 -16.411 13.287 836 HB2 CYS 106 1HB CYS 106 8.468 -14.020 12.716 837 HB3 CYS 106 2HB CYS 106 8.481 -13.579 14.421 838 H ASP 107 H ASP 107 6.784 -17.653 14.776 839 HA ASP 107 HA ASP 107 7.041 -17.061 17.677 840 HB2 ASP 107 1HB ASP 107 4.781 -17.972 16.581 841 HB3 ASP 107 2HB ASP 107 5.605 -19.523 16.584 842 H LYS 108 H LYS 108 8.058 -18.820 18.943 843 HA LYS 108 HA LYS 108 10.294 -20.071 17.464 844 HB2 LYS 108 1HB LYS 108 11.467 -20.145 19.633 845 HB3 LYS 108 2HB LYS 108 10.933 -18.514 19.252 846 HG2 LYS 108 1HG LYS 108 8.983 -18.846 20.793 847 HG3 LYS 108 2HG LYS 108 9.660 -20.416 21.239 848 HD2 LYS 108 1HD LYS 108 11.696 -19.313 22.099 849 HD3 LYS 108 2HD LYS 108 11.061 -17.737 21.613 850 HE2 LYS 108 1HE LYS 108 9.144 -18.076 23.178 851 HE3 LYS 108 2HE LYS 108 9.889 -19.580 23.723 852 HZ1 LYS 108 3HZ LYS 108 10.407 -17.763 25.211 853 HZ2 LYS 108 1HZ LYS 108 11.072 -16.867 23.936 854 HZ3 LYS 108 2HZ LYS 108 11.816 -18.299 24.444 855 H LYS 109 H LYS 109 7.367 -20.961 19.064 856 HA LYS 109 HA LYS 109 8.246 -23.486 20.150 857 HB2 LYS 109 1HB LYS 109 5.925 -23.879 20.742 858 HB3 LYS 109 2HB LYS 109 6.328 -22.206 21.109 859 HG2 LYS 109 1HG LYS 109 5.149 -21.443 19.113 860 HG3 LYS 109 2HG LYS 109 4.824 -23.110 18.635 861 HD2 LYS 109 1HD LYS 109 3.485 -23.394 20.747 862 HD3 LYS 109 2HD LYS 109 3.723 -21.675 21.084 863 HE2 LYS 109 1HE LYS 109 2.570 -21.106 18.975 864 HE3 LYS 109 2HE LYS 109 2.344 -22.820 18.630 865 HZ1 LYS 109 3HZ LYS 109 0.353 -21.826 19.560 866 HZ2 LYS 109 1HZ LYS 109 1.194 -21.358 20.947 867 HZ3 LYS 109 2HZ LYS 109 0.973 -22.997 20.612 868 H ASN 110 H ASN 110 7.606 -25.597 19.453 869 HA ASN 110 HA ASN 110 6.729 -25.909 16.643 870 HB2 ASN 110 1HB ASN 110 9.209 -27.170 17.915 871 HB3 ASN 110 2HB ASN 110 8.473 -27.800 16.450 872 HD21 ASN 110 2HD2 ASN 110 10.150 -25.046 17.849 873 HD22 ASN 110 1HD2 ASN 110 10.687 -24.376 16.352 Start of MODEL 10 1 HA MET 1 HA MET 1 -6.675 15.021 -8.301 2 H1 MET 1 1H MET 1 -5.911 15.368 -5.458 3 H2 MET 1 2H MET 1 -7.348 14.675 -6.027 4 H3 MET 1 3H MET 1 -7.034 16.307 -6.308 5 HB2 MET 1 1HB MET 1 -4.090 16.074 -7.063 6 HB3 MET 1 2HB MET 1 -4.307 15.729 -8.775 7 HG2 MET 1 1HG MET 1 -6.030 17.464 -8.920 8 HG3 MET 1 2HG MET 1 -5.850 17.800 -7.199 9 HE1 MET 1 3HE MET 1 -2.590 18.704 -10.371 10 HE2 MET 1 1HE MET 1 -4.187 18.079 -10.775 11 HE3 MET 1 2HE MET 1 -3.030 17.053 -9.927 12 H LEU 2 H LEU 2 -5.863 13.299 -5.546 13 HA LEU 2 HA LEU 2 -3.907 11.511 -6.766 14 HG LEU 2 HG LEU 2 -6.265 10.255 -4.162 15 HB2 LEU 2 1HB LEU 2 -3.684 10.410 -4.713 16 HB3 LEU 2 2HB LEU 2 -3.856 12.101 -4.295 17 HD11 LEU 2 1HD1 LEU 2 -5.755 9.732 -1.834 18 HD12 LEU 2 2HD1 LEU 2 -4.222 10.599 -1.951 19 HD13 LEU 2 3HD1 LEU 2 -4.483 9.131 -2.896 20 HD21 LEU 2 3HD2 LEU 2 -5.530 12.733 -2.574 21 HD22 LEU 2 1HD2 LEU 2 -7.020 11.794 -2.422 22 HD23 LEU 2 2HD2 LEU 2 -6.678 12.669 -3.914 23 H GLU 3 H GLU 3 -7.049 11.796 -7.307 24 HA GLU 3 HA GLU 3 -8.138 9.215 -6.778 25 HB2 GLU 3 1HB GLU 3 -9.505 10.650 -8.997 26 HB3 GLU 3 2HB GLU 3 -10.151 10.095 -7.465 27 HG2 GLU 3 1HG GLU 3 -8.691 12.691 -7.984 28 HG3 GLU 3 2HG GLU 3 -10.423 12.496 -7.717 29 H ASP 4 H ASP 4 -6.405 10.696 -9.419 30 HA ASP 4 HA ASP 4 -6.685 8.681 -11.433 31 HB2 ASP 4 1HB ASP 4 -4.377 10.650 -11.057 32 HB3 ASP 4 2HB ASP 4 -4.837 9.838 -12.554 33 H TYR 5 H TYR 5 -4.705 9.062 -8.614 34 HA TYR 5 HA TYR 5 -2.665 7.096 -9.301 35 HD1 TYR 5 HD2 TYR 5 -3.309 10.587 -8.587 36 HD2 TYR 5 HD1 TYR 5 0.205 8.396 -7.524 37 HE1 TYR 5 HE2 TYR 5 -1.906 12.409 -9.456 38 HE2 TYR 5 HE1 TYR 5 1.603 10.217 -8.395 39 HH TYR 5 HH TYR 5 1.444 12.090 -9.978 40 HB2 TYR 5 1HB TYR 5 -3.227 8.635 -6.724 41 HB3 TYR 5 2HB TYR 5 -1.889 7.506 -6.910 42 H ALA 6 H ALA 6 -5.829 6.794 -8.395 43 HA ALA 6 HA ALA 6 -5.727 4.616 -6.534 44 HB1 ALA 6 3HB ALA 6 -8.000 5.501 -8.348 45 HB2 ALA 6 1HB ALA 6 -7.716 6.053 -6.698 46 HB3 ALA 6 2HB ALA 6 -8.136 4.367 -7.000 47 H ILE 7 H ILE 7 -4.515 2.953 -7.255 48 HA ILE 7 HA ILE 7 -4.967 1.744 -9.883 49 HB ILE 7 HB ILE 7 -3.035 0.880 -7.675 50 HG12 ILE 7 1HG1 ILE 7 -2.525 2.623 -10.146 51 HG13 ILE 7 2HG1 ILE 7 -2.458 3.158 -8.471 52 HG21 ILE 7 1HG2 ILE 7 -3.590 -0.939 -9.245 53 HG22 ILE 7 2HG2 ILE 7 -1.922 -0.419 -9.471 54 HG23 ILE 7 3HG2 ILE 7 -3.164 0.087 -10.619 55 HD11 ILE 7 3HD1 ILE 7 -0.523 1.674 -8.104 56 HD12 ILE 7 1HD1 ILE 7 -0.243 2.881 -9.356 57 HD13 ILE 7 2HD1 ILE 7 -0.581 1.212 -9.807 58 H SER 8 H SER 8 -6.485 0.237 -10.110 59 HA SER 8 HA SER 8 -7.725 -1.150 -7.883 60 HG SER 8 HG SER 8 -8.613 0.563 -10.276 61 HB2 SER 8 1HB SER 8 -8.086 -1.574 -10.886 62 HB3 SER 8 2HB SER 8 -9.161 -2.152 -9.608 63 H LEU 9 H LEU 9 -7.782 -3.536 -7.741 64 HA LEU 9 HA LEU 9 -5.215 -4.739 -7.836 65 HG LEU 9 HG LEU 9 -6.439 -7.843 -7.814 66 HB2 LEU 9 1HB LEU 9 -6.896 -5.331 -6.155 67 HB3 LEU 9 2HB LEU 9 -7.963 -5.966 -7.395 68 HD11 LEU 9 1HD1 LEU 9 -4.613 -6.632 -5.719 69 HD12 LEU 9 2HD1 LEU 9 -4.287 -6.757 -7.449 70 HD13 LEU 9 3HD1 LEU 9 -4.413 -8.218 -6.475 71 HD21 LEU 9 3HD2 LEU 9 -6.965 -7.492 -4.842 72 HD22 LEU 9 1HD2 LEU 9 -6.630 -9.021 -5.661 73 HD23 LEU 9 2HD2 LEU 9 -8.102 -8.129 -6.033 74 H GLU 10 H GLU 10 -7.726 -4.533 -10.167 75 HA GLU 10 HA GLU 10 -6.848 -6.754 -11.832 76 HB2 GLU 10 1HB GLU 10 -8.709 -6.031 -13.309 77 HB3 GLU 10 2HB GLU 10 -9.225 -6.309 -11.651 78 HG2 GLU 10 1HG GLU 10 -9.124 -3.825 -11.268 79 HG3 GLU 10 2HG GLU 10 -8.777 -3.624 -12.983 80 H GLU 11 H GLU 11 -5.364 -3.924 -11.335 81 HA GLU 11 HA GLU 11 -4.185 -3.838 -14.011 82 HB2 GLU 11 1HB GLU 11 -4.432 -1.320 -14.130 83 HB3 GLU 11 2HB GLU 11 -5.944 -2.203 -14.302 84 HG2 GLU 11 1HG GLU 11 -6.460 -1.754 -11.912 85 HG3 GLU 11 2HG GLU 11 -4.971 -0.818 -11.791 86 H VAL 12 H VAL 12 -3.451 -4.466 -11.116 87 HA VAL 12 HA VAL 12 -1.243 -2.527 -10.712 88 HB VAL 12 HB VAL 12 -2.876 -2.912 -8.813 89 HG11 VAL 12 1HG1 VAL 12 -2.727 -4.946 -7.452 90 HG12 VAL 12 2HG1 VAL 12 -1.610 -5.666 -8.613 91 HG13 VAL 12 3HG1 VAL 12 -3.272 -5.314 -9.089 92 HG21 VAL 12 3HG2 VAL 12 -0.680 -1.957 -8.351 93 HG22 VAL 12 1HG2 VAL 12 0.038 -3.566 -8.217 94 HG23 VAL 12 2HG2 VAL 12 -1.152 -3.024 -7.030 95 H ASN 13 H ASN 13 0.867 -3.240 -10.532 96 HA ASN 13 HA ASN 13 1.474 -6.135 -10.481 97 HB2 ASN 13 1HB ASN 13 2.946 -4.010 -12.128 98 HB3 ASN 13 2HB ASN 13 3.535 -5.644 -11.869 99 HD21 ASN 13 2HD2 ASN 13 1.142 -3.685 -13.499 100 HD22 ASN 13 1HD2 ASN 13 0.630 -4.896 -14.616 101 H PHE 14 H PHE 14 2.041 -6.235 -8.338 102 HA PHE 14 HA PHE 14 2.864 -4.023 -6.798 103 HD1 PHE 14 HD2 PHE 14 1.365 -3.919 -4.882 104 HD2 PHE 14 HD1 PHE 14 0.910 -7.937 -6.266 105 HE1 PHE 14 HE2 PHE 14 -1.040 -3.825 -4.386 106 HE2 PHE 14 HE1 PHE 14 -1.496 -7.828 -5.773 107 HZ PHE 14 HZ PHE 14 -2.473 -5.775 -4.833 108 HB2 PHE 14 1HB PHE 14 3.071 -7.001 -6.200 109 HB3 PHE 14 2HB PHE 14 3.340 -5.731 -5.003 110 H ASN 15 H ASN 15 4.737 -6.522 -8.387 111 HA ASN 15 HA ASN 15 7.297 -5.972 -7.319 112 HB2 ASN 15 1HB ASN 15 8.156 -7.266 -9.248 113 HB3 ASN 15 2HB ASN 15 6.776 -8.066 -8.506 114 HD21 ASN 15 2HD2 ASN 15 7.951 -6.441 -11.336 115 HD22 ASN 15 1HD2 ASN 15 6.604 -6.804 -12.355 116 H ASP 16 H ASP 16 5.428 -4.333 -9.748 117 HA ASP 16 HA ASP 16 7.519 -2.936 -11.105 118 HB2 ASP 16 1HB ASP 16 5.236 -3.290 -12.095 119 HB3 ASP 16 2HB ASP 16 4.559 -2.237 -10.867 120 H PHE 17 H PHE 17 5.666 -2.348 -8.169 121 HA PHE 17 HA PHE 17 6.789 0.398 -7.912 122 HD1 PHE 17 HD1 PHE 17 4.458 1.930 -8.982 123 HD2 PHE 17 HD2 PHE 17 2.945 -1.835 -7.649 124 HE1 PHE 17 HE1 PHE 17 2.862 1.895 -10.856 125 HE2 PHE 17 HE2 PHE 17 1.359 -1.858 -9.519 126 HZ PHE 17 HZ PHE 17 1.335 -0.020 -11.133 127 HB2 PHE 17 1HB PHE 17 4.442 -0.620 -6.263 128 HB3 PHE 17 2HB PHE 17 4.892 1.037 -6.631 129 H ILE 18 H ILE 18 7.441 1.051 -5.774 130 HA ILE 18 HA ILE 18 8.416 -0.948 -3.914 131 HB ILE 18 HB ILE 18 8.138 2.073 -3.478 132 HG12 ILE 18 1HG1 ILE 18 10.580 0.603 -4.598 133 HG13 ILE 18 2HG1 ILE 18 9.510 1.642 -5.530 134 HG21 ILE 18 1HG2 ILE 18 9.939 0.032 -2.117 135 HG22 ILE 18 2HG2 ILE 18 8.483 0.753 -1.425 136 HG23 ILE 18 3HG2 ILE 18 9.888 1.764 -1.769 137 HD11 ILE 18 3HD1 ILE 18 10.188 3.558 -4.130 138 HD12 ILE 18 1HD1 ILE 18 11.541 2.808 -4.976 139 HD13 ILE 18 2HD1 ILE 18 11.303 2.500 -3.258 140 H VAL 19 H VAL 19 6.808 -2.031 -2.734 141 HA VAL 19 HA VAL 19 4.193 -0.705 -2.458 142 HB VAL 19 HB VAL 19 4.926 -3.602 -1.817 143 HG11 VAL 19 1HG1 VAL 19 2.192 -2.324 -2.214 144 HG12 VAL 19 2HG1 VAL 19 2.864 -2.889 -0.685 145 HG13 VAL 19 3HG1 VAL 19 2.497 -4.045 -1.961 146 HG21 VAL 19 3HG2 VAL 19 3.709 -2.469 -4.361 147 HG22 VAL 19 1HG2 VAL 19 3.931 -4.184 -3.999 148 HG23 VAL 19 2HG2 VAL 19 5.334 -3.135 -4.189 149 H VAL 20 H VAL 20 3.127 -0.504 -0.513 150 HA VAL 20 HA VAL 20 4.567 -0.982 2.007 151 HB VAL 20 HB VAL 20 3.043 1.548 1.228 152 HG11 VAL 20 1HG1 VAL 20 3.464 2.382 3.510 153 HG12 VAL 20 2HG1 VAL 20 4.151 0.820 3.964 154 HG13 VAL 20 3HG1 VAL 20 2.447 0.943 3.524 155 HG21 VAL 20 3HG2 VAL 20 5.952 1.203 2.065 156 HG22 VAL 20 1HG2 VAL 20 5.156 2.736 1.694 157 HG23 VAL 20 2HG2 VAL 20 5.373 1.527 0.431 158 H ASP 21 H ASP 21 3.333 -2.200 3.329 159 HA ASP 21 HA ASP 21 0.477 -2.573 2.988 160 HB2 ASP 21 1HB ASP 21 2.161 -4.328 3.879 161 HB3 ASP 21 2HB ASP 21 2.227 -3.395 5.369 162 H VAL 22 H VAL 22 -0.695 -0.682 3.425 163 HA VAL 22 HA VAL 22 -0.053 0.899 5.843 164 HB VAL 22 HB VAL 22 -1.744 2.590 4.926 165 HG11 VAL 22 1HG1 VAL 22 0.684 2.922 4.699 166 HG12 VAL 22 2HG1 VAL 22 -0.158 3.539 3.277 167 HG13 VAL 22 3HG1 VAL 22 0.693 1.994 3.199 168 HG21 VAL 22 3HG2 VAL 22 -2.349 2.470 2.529 169 HG22 VAL 22 1HG2 VAL 22 -2.975 1.057 3.391 170 HG23 VAL 22 2HG2 VAL 22 -1.533 0.909 2.378 171 H ARG 23 H ARG 23 -0.826 -0.637 7.303 172 HA ARG 23 HA ARG 23 -3.713 -0.504 7.765 173 HE ARG 23 HE ARG 23 -2.223 -4.720 5.353 174 HB2 ARG 23 1HB ARG 23 -2.234 -3.156 7.452 175 HB3 ARG 23 2HB ARG 23 -3.815 -3.006 8.206 176 HG2 ARG 23 1HG ARG 23 -4.721 -2.128 6.040 177 HG3 ARG 23 2HG ARG 23 -3.141 -2.401 5.299 178 HD2 ARG 23 1HD ARG 23 -4.844 -4.570 6.588 179 HD3 ARG 23 2HD ARG 23 -4.837 -4.205 4.864 180 HH11 ARG 23 1HH1 ARG 23 -5.074 -6.546 6.352 181 HH12 ARG 23 2HH1 ARG 23 -4.311 -8.088 6.124 182 HH21 ARG 23 1HH2 ARG 23 -1.260 -6.754 5.060 183 HH22 ARG 23 2HH2 ARG 23 -2.146 -8.205 5.402 184 H GLU 24 H GLU 24 -1.374 -2.759 9.228 185 HA GLU 24 HA GLU 24 -0.998 -1.389 11.686 186 HB2 GLU 24 1HB GLU 24 -3.628 -2.075 11.491 187 HB3 GLU 24 2HB GLU 24 -3.041 -3.628 12.049 188 HG2 GLU 24 1HG GLU 24 -2.627 -1.018 13.544 189 HG3 GLU 24 2HG GLU 24 -3.990 -2.092 13.820 190 H LEU 25 H LEU 25 -0.030 -2.949 13.329 191 HA LEU 25 HA LEU 25 1.883 -4.669 12.325 192 HG LEU 25 HG LEU 25 2.022 -6.734 14.790 193 HB2 LEU 25 1HB LEU 25 1.937 -3.691 14.598 194 HB3 LEU 25 2HB LEU 25 0.590 -4.706 15.083 195 HD11 LEU 25 1HD1 LEU 25 4.457 -6.487 14.453 196 HD12 LEU 25 2HD1 LEU 25 4.242 -4.759 14.174 197 HD13 LEU 25 3HD1 LEU 25 3.539 -5.930 13.055 198 HD21 LEU 25 3HD2 LEU 25 1.874 -5.698 17.017 199 HD22 LEU 25 1HD2 LEU 25 3.231 -4.635 16.633 200 HD23 LEU 25 2HD2 LEU 25 3.479 -6.378 16.758 201 H ASP 26 H ASP 26 -1.177 -5.618 13.945 202 HA ASP 26 HA ASP 26 -1.024 -8.374 13.722 203 HB2 ASP 26 1HB ASP 26 -2.692 -7.207 15.102 204 HB3 ASP 26 2HB ASP 26 -3.502 -6.603 13.666 205 H GLU 27 H GLU 27 -2.232 -6.053 11.396 206 HA GLU 27 HA GLU 27 -3.317 -7.823 9.457 207 HB2 GLU 27 1HB GLU 27 -2.307 -4.962 9.281 208 HB3 GLU 27 2HB GLU 27 -3.210 -5.770 8.007 209 HG2 GLU 27 1HG GLU 27 -4.245 -5.240 10.805 210 HG3 GLU 27 2HG GLU 27 -4.613 -4.267 9.382 211 H TYR 28 H TYR 28 -0.119 -6.324 9.828 212 HA TYR 28 HA TYR 28 1.112 -7.317 7.476 213 HD1 TYR 28 HD2 TYR 28 3.734 -5.679 6.908 214 HD2 TYR 28 HD1 TYR 28 4.089 -8.133 10.394 215 HE1 TYR 28 HE2 TYR 28 6.066 -6.179 6.327 216 HE2 TYR 28 HE1 TYR 28 6.414 -8.621 9.811 217 HH TYR 28 HH TYR 28 7.848 -8.646 7.813 218 HB2 TYR 28 1HB TYR 28 2.091 -5.499 8.739 219 HB3 TYR 28 2HB TYR 28 2.233 -6.490 10.178 220 H GLU 29 H GLU 29 0.643 -8.641 10.703 221 HA GLU 29 HA GLU 29 2.528 -10.769 10.600 222 HB2 GLU 29 1HB GLU 29 0.130 -10.382 12.431 223 HB3 GLU 29 2HB GLU 29 1.442 -11.512 12.721 224 HG2 GLU 29 1HG GLU 29 1.877 -8.527 12.514 225 HG3 GLU 29 2HG GLU 29 1.465 -9.315 14.026 226 H GLU 30 H GLU 30 -0.920 -10.569 9.820 227 HA GLU 30 HA GLU 30 -1.347 -13.410 9.702 228 HB2 GLU 30 1HB GLU 30 -3.538 -12.790 8.569 229 HB3 GLU 30 2HB GLU 30 -3.294 -12.137 10.180 230 HG2 GLU 30 1HG GLU 30 -2.892 -9.948 9.346 231 HG3 GLU 30 2HG GLU 30 -2.718 -10.533 7.693 232 H LEU 31 H LEU 31 -0.928 -10.893 7.178 233 HA LEU 31 HA LEU 31 0.626 -12.555 5.491 234 HG LEU 31 HG LEU 31 -2.086 -10.953 3.388 235 HB2 LEU 31 1HB LEU 31 -0.760 -13.071 3.660 236 HB3 LEU 31 2HB LEU 31 -1.745 -13.489 5.042 237 HD11 LEU 31 1HD1 LEU 31 -3.751 -13.489 3.341 238 HD12 LEU 31 2HD1 LEU 31 -2.655 -12.937 2.071 239 HD13 LEU 31 3HD1 LEU 31 -4.092 -11.997 2.458 240 HD21 LEU 31 3HD2 LEU 31 -3.867 -12.084 5.565 241 HD22 LEU 31 1HD2 LEU 31 -4.220 -10.673 4.564 242 HD23 LEU 31 2HD2 LEU 31 -2.864 -10.637 5.687 243 H HIS 32 H HIS 32 1.711 -11.309 3.967 244 HA HIS 32 HA HIS 32 0.602 -8.827 2.958 245 HD1 HIS 32 HD1 HIS 32 3.484 -10.221 5.800 246 HD2 HIS 32 HD2 HIS 32 4.882 -7.048 3.533 247 HE1 HIS 32 HE1 HIS 32 5.982 -10.423 5.814 248 HE2 HIS 32 HE2 HIS 32 6.802 -8.556 4.355 249 HB2 HIS 32 1HB HIS 32 2.187 -7.248 3.806 250 HB3 HIS 32 2HB HIS 32 1.695 -8.171 5.220 251 H LEU 33 H LEU 33 2.066 -7.839 1.338 252 HA LEU 33 HA LEU 33 3.152 -9.781 -0.461 253 HG LEU 33 HG LEU 33 0.923 -8.081 -0.789 254 HB2 LEU 33 1HB LEU 33 3.158 -6.749 -0.437 255 HB3 LEU 33 2HB LEU 33 3.747 -7.692 -1.795 256 HD11 LEU 33 1HD1 LEU 33 0.122 -6.390 -2.377 257 HD12 LEU 33 2HD1 LEU 33 1.789 -5.938 -2.742 258 HD13 LEU 33 3HD1 LEU 33 1.136 -5.678 -1.124 259 HD21 LEU 33 3HD2 LEU 33 2.159 -8.427 -3.542 260 HD22 LEU 33 1HD2 LEU 33 0.480 -8.760 -3.107 261 HD23 LEU 33 2HD2 LEU 33 1.777 -9.723 -2.407 262 HA PRO 34 HA PRO 34 7.414 -9.786 0.930 263 HB2 PRO 34 1HB PRO 34 8.747 -10.403 -1.421 264 HB3 PRO 34 2HB PRO 34 7.837 -11.581 -0.472 265 HG2 PRO 34 1HG PRO 34 7.014 -10.113 -2.959 266 HG3 PRO 34 2HG PRO 34 6.717 -11.812 -2.501 267 HD2 PRO 34 1HD PRO 34 4.824 -9.842 -2.270 268 HD3 PRO 34 2HD PRO 34 4.868 -11.263 -1.209 269 H ASN 35 H ASN 35 6.337 -7.629 -1.552 270 HA ASN 35 HA ASN 35 8.727 -5.910 -1.419 271 HB2 ASN 35 1HB ASN 35 6.257 -5.710 -3.215 272 HB3 ASN 35 2HB ASN 35 7.697 -4.705 -3.336 273 HD21 ASN 35 2HD2 ASN 35 6.337 -7.857 -3.975 274 HD22 ASN 35 1HD2 ASN 35 7.634 -8.441 -4.955 275 H ALA 36 H ALA 36 6.172 -6.284 0.546 276 HA ALA 36 HA ALA 36 5.194 -3.510 0.633 277 HB1 ALA 36 3HB ALA 36 4.120 -5.952 2.078 278 HB2 ALA 36 1HB ALA 36 3.489 -5.278 0.575 279 HB3 ALA 36 2HB ALA 36 3.384 -4.345 2.070 280 H THR 37 H THR 37 5.915 -2.112 2.066 281 HA THR 37 HA THR 37 7.566 -2.814 4.359 282 HB THR 37 HB THR 37 6.594 -0.098 3.339 283 HG1 THR 37 HG1 THR 37 7.840 -0.920 1.744 284 HG21 THR 37 3HG2 THR 37 7.391 0.034 5.676 285 HG22 THR 37 1HG2 THR 37 8.510 0.848 4.580 286 HG23 THR 37 2HG2 THR 37 8.906 -0.749 5.215 287 H LEU 38 H LEU 38 6.866 -2.771 6.518 288 HA LEU 38 HA LEU 38 4.060 -2.580 7.145 289 HG LEU 38 HG LEU 38 3.781 -4.264 9.241 290 HB2 LEU 38 1HB LEU 38 6.007 -3.937 8.357 291 HB3 LEU 38 2HB LEU 38 6.234 -2.461 9.270 292 HD11 LEU 38 1HD1 LEU 38 4.254 -4.591 11.629 293 HD12 LEU 38 2HD1 LEU 38 5.699 -3.586 11.481 294 HD13 LEU 38 3HD1 LEU 38 5.590 -5.115 10.604 295 HD21 LEU 38 3HD2 LEU 38 4.006 -1.648 10.747 296 HD22 LEU 38 1HD2 LEU 38 2.699 -2.832 10.895 297 HD23 LEU 38 2HD2 LEU 38 2.943 -1.974 9.376 298 H ILE 39 H ILE 39 3.208 -0.561 6.840 299 HA ILE 39 HA ILE 39 4.050 1.467 8.816 300 HB ILE 39 HB ILE 39 3.044 2.181 6.010 301 HG12 ILE 39 1HG1 ILE 39 5.854 2.448 7.180 302 HG13 ILE 39 2HG1 ILE 39 5.372 1.382 5.880 303 HG21 ILE 39 1HG2 ILE 39 3.975 3.984 8.284 304 HG22 ILE 39 2HG2 ILE 39 2.316 3.802 7.711 305 HG23 ILE 39 3HG2 ILE 39 3.533 4.527 6.663 306 HD11 ILE 39 3HD1 ILE 39 6.589 3.239 4.978 307 HD12 ILE 39 1HD1 ILE 39 5.536 4.397 5.796 308 HD13 ILE 39 2HD1 ILE 39 4.904 3.400 4.483 309 H SER 40 H SER 40 2.356 2.225 10.001 310 HA SER 40 HA SER 40 -0.344 1.245 9.447 311 HG SER 40 HG SER 40 0.128 0.246 11.550 312 HB2 SER 40 1HB SER 40 0.665 3.027 11.708 313 HB3 SER 40 2HB SER 40 -0.963 2.352 11.585 314 H VAL 41 H VAL 41 -1.924 2.440 8.538 315 HA VAL 41 HA VAL 41 -1.713 4.676 7.017 316 HB VAL 41 HB VAL 41 -3.673 3.223 6.965 317 HG11 VAL 41 1HG1 VAL 41 -4.406 4.317 9.710 318 HG12 VAL 41 2HG1 VAL 41 -3.870 2.678 9.343 319 HG13 VAL 41 3HG1 VAL 41 -5.419 3.255 8.729 320 HG21 VAL 41 3HG2 VAL 41 -4.513 6.071 7.667 321 HG22 VAL 41 1HG2 VAL 41 -5.497 4.894 6.794 322 HG23 VAL 41 2HG2 VAL 41 -4.005 5.500 6.077 323 H ASN 42 H ASN 42 -2.071 4.623 10.525 324 HA ASN 42 HA ASN 42 -2.888 7.316 10.922 325 HB2 ASN 42 1HB ASN 42 -3.468 6.007 12.743 326 HB3 ASN 42 2HB ASN 42 -2.066 4.964 12.587 327 HD21 ASN 42 2HD2 ASN 42 -0.143 5.562 13.570 328 HD22 ASN 42 1HD2 ASN 42 -0.087 6.727 14.840 329 H ASP 43 H ASP 43 0.268 5.721 10.708 330 HA ASP 43 HA ASP 43 1.710 7.992 11.829 331 HB2 ASP 43 1HB ASP 43 2.699 5.307 10.780 332 HB3 ASP 43 2HB ASP 43 3.749 6.540 11.471 333 H GLN 44 H GLN 44 1.243 9.606 10.277 334 HA GLN 44 HA GLN 44 2.323 9.512 7.615 335 HB2 GLN 44 1HB GLN 44 1.467 11.834 9.378 336 HB3 GLN 44 2HB GLN 44 2.237 12.104 7.820 337 HG2 GLN 44 1HG GLN 44 -0.071 12.302 7.422 338 HG3 GLN 44 2HG GLN 44 0.387 10.735 6.770 339 HE21 GLN 44 2HE2 GLN 44 -0.326 8.854 7.842 340 HE22 GLN 44 1HE2 GLN 44 -1.629 8.890 8.972 341 H GLU 45 H GLU 45 3.715 9.881 10.740 342 HA GLU 45 HA GLU 45 6.114 11.221 10.047 343 HB2 GLU 45 1HB GLU 45 7.035 10.190 12.139 344 HB3 GLU 45 2HB GLU 45 5.510 11.034 12.367 345 HG2 GLU 45 1HG GLU 45 4.314 8.871 12.367 346 HG3 GLU 45 2HG GLU 45 5.849 8.027 12.159 347 H LYS 46 H LYS 46 5.239 7.777 10.079 348 HA LYS 46 HA LYS 46 7.813 6.887 9.098 349 HB2 LYS 46 1HB LYS 46 6.543 5.460 10.623 350 HB3 LYS 46 2HB LYS 46 5.177 5.427 9.522 351 HG2 LYS 46 1HG LYS 46 6.231 3.317 9.343 352 HG3 LYS 46 2HG LYS 46 6.636 4.184 7.873 353 HD2 LYS 46 1HD LYS 46 8.561 4.069 10.214 354 HD3 LYS 46 2HD LYS 46 8.469 2.758 9.046 355 HE2 LYS 46 1HE LYS 46 9.008 4.408 7.235 356 HE3 LYS 46 2HE LYS 46 9.228 5.644 8.473 357 HZ1 LYS 46 3HZ LYS 46 10.803 3.138 8.195 358 HZ2 LYS 46 1HZ LYS 46 11.002 4.281 9.431 359 HZ3 LYS 46 2HZ LYS 46 11.333 4.701 7.828 360 H LEU 47 H LEU 47 4.572 7.453 7.725 361 HA LEU 47 HA LEU 47 5.001 6.507 5.120 362 HG LEU 47 HG LEU 47 2.529 6.176 6.507 363 HB2 LEU 47 1HB LEU 47 3.182 8.623 6.279 364 HB3 LEU 47 2HB LEU 47 3.241 8.385 4.548 365 HD11 LEU 47 1HD1 LEU 47 0.832 7.936 6.654 366 HD12 LEU 47 2HD1 LEU 47 0.180 6.506 5.857 367 HD13 LEU 47 3HD1 LEU 47 0.636 7.917 4.899 368 HD21 LEU 47 3HD2 LEU 47 3.422 5.374 4.349 369 HD22 LEU 47 1HD2 LEU 47 2.210 6.327 3.484 370 HD23 LEU 47 2HD2 LEU 47 1.712 4.984 4.515 371 H ALA 48 H ALA 48 5.275 9.891 6.296 372 HA ALA 48 HA ALA 48 6.282 11.038 3.939 373 HB1 ALA 48 3HB ALA 48 6.860 12.989 5.299 374 HB2 ALA 48 1HB ALA 48 6.667 12.043 6.777 375 HB3 ALA 48 2HB ALA 48 5.271 12.370 5.751 376 H ASP 49 H ASP 49 7.954 9.674 6.766 377 HA ASP 49 HA ASP 49 10.599 10.298 6.116 378 HB2 ASP 49 1HB ASP 49 10.014 9.305 8.279 379 HB3 ASP 49 2HB ASP 49 9.502 7.812 7.497 380 H PHE 50 H PHE 50 8.660 7.441 5.197 381 HA PHE 50 HA PHE 50 10.685 6.078 3.748 382 HD1 PHE 50 HD2 PHE 50 10.312 3.329 4.154 383 HD2 PHE 50 HD1 PHE 50 7.508 4.784 1.267 384 HE1 PHE 50 HE2 PHE 50 10.754 1.375 2.733 385 HE2 PHE 50 HE1 PHE 50 7.965 2.824 -0.148 386 HZ PHE 50 HZ PHE 50 9.589 1.121 0.587 387 HB2 PHE 50 1HB PHE 50 8.580 5.070 4.728 388 HB3 PHE 50 2HB PHE 50 7.657 5.833 3.440 389 H LEU 51 H LEU 51 8.186 8.350 2.825 390 HA LEU 51 HA LEU 51 8.616 8.283 -0.025 391 HG LEU 51 HG LEU 51 6.049 8.116 1.921 392 HB2 LEU 51 1HB LEU 51 7.143 10.337 1.672 393 HB3 LEU 51 2HB LEU 51 7.053 10.184 -0.076 394 HD11 LEU 51 1HD1 LEU 51 3.803 8.762 1.200 395 HD12 LEU 51 2HD1 LEU 51 4.487 10.027 0.176 396 HD13 LEU 51 3HD1 LEU 51 4.663 10.117 1.929 397 HD21 LEU 51 3HD2 LEU 51 6.804 7.038 -0.151 398 HD22 LEU 51 1HD2 LEU 51 5.781 8.121 -1.098 399 HD23 LEU 51 2HD2 LEU 51 5.054 6.955 0.009 400 H SER 52 H SER 52 10.093 10.016 2.624 401 HA SER 52 HA SER 52 11.472 11.925 0.926 402 HG SER 52 HG SER 52 10.176 12.452 3.957 403 HB2 SER 52 1HB SER 52 11.856 11.194 3.858 404 HB3 SER 52 2HB SER 52 12.762 12.465 3.026 405 H GLN 53 H GLN 53 12.192 8.771 2.434 406 HA GLN 53 HA GLN 53 14.969 8.618 1.937 407 HB2 GLN 53 1HB GLN 53 12.967 6.321 2.052 408 HB3 GLN 53 2HB GLN 53 14.715 6.142 2.150 409 HG2 GLN 53 1HG GLN 53 12.888 7.441 4.182 410 HG3 GLN 53 2HG GLN 53 13.765 5.928 4.354 411 HE21 GLN 53 2HE2 GLN 53 13.786 8.373 5.995 412 HE22 GLN 53 1HE2 GLN 53 15.442 8.858 6.097 413 H HIS 54 H HIS 54 12.196 7.915 -0.019 414 HA HIS 54 HA HIS 54 13.802 8.034 -2.474 415 HD1 HIS 54 HD1 HIS 54 14.787 5.443 -3.613 416 HD2 HIS 54 HD2 HIS 54 12.562 4.275 -0.298 417 HE1 HIS 54 HE1 HIS 54 16.073 3.563 -2.560 418 HE2 HIS 54 HE2 HIS 54 14.804 3.005 -0.461 419 HB2 HIS 54 1HB HIS 54 11.421 6.146 -2.006 420 HB3 HIS 54 2HB HIS 54 12.257 6.373 -3.546 421 H LYS 55 H LYS 55 13.223 10.162 -2.767 422 HA LYS 55 HA LYS 55 10.582 11.168 -2.279 423 HB2 LYS 55 1HB LYS 55 13.186 12.342 -2.862 424 HB3 LYS 55 2HB LYS 55 11.984 13.063 -3.921 425 HG2 LYS 55 1HG LYS 55 11.925 13.019 -0.885 426 HG3 LYS 55 2HG LYS 55 12.232 14.412 -1.911 427 HD2 LYS 55 1HD LYS 55 9.607 12.905 -1.652 428 HD3 LYS 55 2HD LYS 55 9.959 14.522 -1.045 429 HE2 LYS 55 1HE LYS 55 9.785 13.677 -3.955 430 HE3 LYS 55 2HE LYS 55 8.632 14.683 -3.081 431 HZ1 LYS 55 3HZ LYS 55 11.440 15.388 -3.731 432 HZ2 LYS 55 1HZ LYS 55 10.382 16.356 -2.834 433 HZ3 LYS 55 2HZ LYS 55 10.052 16.021 -4.457 434 H ASP 56 H ASP 56 12.450 10.776 -5.295 435 HA ASP 56 HA ASP 56 9.945 10.943 -6.854 436 HB2 ASP 56 1HB ASP 56 12.857 11.232 -7.721 437 HB3 ASP 56 2HB ASP 56 11.483 11.296 -8.820 438 H LYS 57 H LYS 57 9.102 8.976 -6.822 439 HA LYS 57 HA LYS 57 10.371 6.639 -7.976 440 HB2 LYS 57 1HB LYS 57 10.336 5.246 -6.015 441 HB3 LYS 57 2HB LYS 57 11.120 6.731 -5.503 442 HG2 LYS 57 1HG LYS 57 8.267 5.868 -4.891 443 HG3 LYS 57 2HG LYS 57 9.614 5.970 -3.756 444 HD2 LYS 57 1HD LYS 57 9.665 8.434 -4.061 445 HD3 LYS 57 2HD LYS 57 8.318 8.318 -5.175 446 HE2 LYS 57 1HE LYS 57 6.805 7.692 -3.443 447 HE3 LYS 57 2HE LYS 57 8.127 7.444 -2.295 448 HZ1 LYS 57 3HZ LYS 57 8.611 9.795 -2.362 449 HZ2 LYS 57 1HZ LYS 57 6.987 9.565 -1.947 450 HZ3 LYS 57 2HZ LYS 57 7.398 10.062 -3.510 451 H LYS 58 H LYS 58 8.683 4.687 -7.426 452 HA LYS 58 HA LYS 58 5.887 5.662 -7.515 453 HB2 LYS 58 1HB LYS 58 7.275 3.483 -9.065 454 HB3 LYS 58 2HB LYS 58 5.556 3.313 -8.703 455 HG2 LYS 58 1HG LYS 58 4.962 5.181 -9.990 456 HG3 LYS 58 2HG LYS 58 6.590 5.852 -9.966 457 HD2 LYS 58 1HD LYS 58 5.899 4.930 -12.167 458 HD3 LYS 58 2HD LYS 58 7.369 4.211 -11.519 459 HE2 LYS 58 1HE LYS 58 6.099 2.220 -10.817 460 HE3 LYS 58 2HE LYS 58 4.608 2.951 -11.421 461 HZ1 LYS 58 3HZ LYS 58 5.573 1.345 -12.962 462 HZ2 LYS 58 1HZ LYS 58 6.969 2.283 -13.090 463 HZ3 LYS 58 2HZ LYS 58 5.489 2.884 -13.646 464 H VAL 59 H VAL 59 5.610 5.535 -5.244 465 HA VAL 59 HA VAL 59 5.828 2.867 -3.999 466 HB VAL 59 HB VAL 59 5.273 5.610 -2.771 467 HG11 VAL 59 1HG1 VAL 59 5.163 2.920 -1.341 468 HG12 VAL 59 2HG1 VAL 59 3.808 4.016 -1.607 469 HG13 VAL 59 3HG1 VAL 59 5.131 4.501 -0.548 470 HG21 VAL 59 3HG2 VAL 59 7.498 3.578 -2.307 471 HG22 VAL 59 1HG2 VAL 59 7.337 5.135 -1.481 472 HG23 VAL 59 2HG2 VAL 59 7.632 5.083 -3.217 473 H LEU 60 H LEU 60 4.151 1.626 -3.646 474 HA LEU 60 HA LEU 60 1.414 2.516 -4.338 475 HG LEU 60 HG LEU 60 0.809 -0.799 -6.116 476 HB2 LEU 60 1HB LEU 60 2.441 0.868 -5.876 477 HB3 LEU 60 2HB LEU 60 2.763 -0.216 -4.546 478 HD11 LEU 60 1HD1 LEU 60 0.064 -0.694 -3.199 479 HD12 LEU 60 2HD1 LEU 60 1.165 -1.874 -3.908 480 HD13 LEU 60 3HD1 LEU 60 -0.514 -1.825 -4.429 481 HD21 LEU 60 3HD2 LEU 60 -1.334 0.265 -5.749 482 HD22 LEU 60 1HD2 LEU 60 -0.143 1.431 -6.321 483 HD23 LEU 60 2HD2 LEU 60 -0.600 1.401 -4.615 484 H LEU 61 H LEU 61 0.274 2.841 -2.507 485 HA LEU 61 HA LEU 61 0.925 1.463 0.011 486 HG LEU 61 HG LEU 61 1.066 4.622 -0.978 487 HB2 LEU 61 1HB LEU 61 -1.164 3.625 -0.521 488 HB3 LEU 61 2HB LEU 61 -0.606 3.079 1.051 489 HD11 LEU 61 1HD1 LEU 61 0.945 6.493 0.597 490 HD12 LEU 61 2HD1 LEU 61 -0.101 5.552 1.664 491 HD13 LEU 61 3HD1 LEU 61 -0.665 6.021 0.059 492 HD21 LEU 61 3HD2 LEU 61 2.760 4.801 0.791 493 HD22 LEU 61 1HD2 LEU 61 2.480 3.121 0.340 494 HD23 LEU 61 2HD2 LEU 61 1.794 3.757 1.838 495 H HIS 62 H HIS 62 0.081 -0.646 -0.162 496 HA HIS 62 HA HIS 62 -2.592 -1.036 -1.298 497 HD1 HIS 62 HD1 HIS 62 -2.534 -4.936 0.246 498 HD2 HIS 62 HD2 HIS 62 1.224 -3.197 0.499 499 HE1 HIS 62 HE1 HIS 62 -1.269 -6.298 1.930 500 HE2 HIS 62 HE2 HIS 62 0.851 -5.017 2.283 501 HB2 HIS 62 1HB HIS 62 -2.081 -3.283 -1.629 502 HB3 HIS 62 2HB HIS 62 -0.481 -2.574 -1.739 503 H CYS 63 H CYS 63 -4.380 -1.675 -0.199 504 HA CYS 63 HA CYS 63 -4.179 -2.033 2.756 505 HG CYS 63 HG CYS 63 -5.895 -0.723 4.622 506 HB2 CYS 63 1HB CYS 63 -5.126 0.188 2.141 507 HB3 CYS 63 2HB CYS 63 -6.411 -0.621 1.247 508 H ARG 64 H ARG 64 -5.876 -3.321 3.713 509 HA ARG 64 HA ARG 64 -6.329 -5.801 2.528 510 HE ARG 64 HE ARG 64 -8.444 -5.455 7.400 511 HB2 ARG 64 1HB ARG 64 -6.410 -5.499 4.948 512 HB3 ARG 64 2HB ARG 64 -7.845 -4.487 4.817 513 HG2 ARG 64 1HG ARG 64 -9.171 -6.374 4.063 514 HG3 ARG 64 2HG ARG 64 -7.740 -7.404 3.988 515 HD2 ARG 64 1HD ARG 64 -9.080 -7.870 5.987 516 HD3 ARG 64 2HD ARG 64 -7.485 -7.254 6.408 517 HH11 ARG 64 1HH1 ARG 64 -10.903 -6.860 5.312 518 HH12 ARG 64 2HH1 ARG 64 -12.187 -5.916 5.987 519 HH21 ARG 64 1HH2 ARG 64 -10.136 -4.227 8.282 520 HH22 ARG 64 2HH2 ARG 64 -11.749 -4.410 7.664 521 H ALA 65 H ALA 65 -8.569 -3.025 2.730 522 HA ALA 65 HA ALA 65 -10.174 -4.272 0.556 523 HB1 ALA 65 3HB ALA 65 -12.068 -2.900 1.283 524 HB2 ALA 65 1HB ALA 65 -11.085 -2.173 2.556 525 HB3 ALA 65 2HB ALA 65 -11.477 -3.891 2.616 526 H GLY 66 H GLY 66 -9.135 -1.031 1.752 527 HA2 GLY 66 1HA GLY 66 -7.720 0.000 -0.255 528 HA3 GLY 66 2HA GLY 66 -9.324 0.079 -0.967 529 H ARG 67 H ARG 67 -10.061 0.516 2.118 530 HA ARG 67 HA ARG 67 -10.610 3.258 1.980 531 HE ARG 67 HE ARG 67 -10.381 5.560 3.962 532 HB2 ARG 67 1HB ARG 67 -11.831 1.718 3.462 533 HB3 ARG 67 2HB ARG 67 -10.381 1.426 4.404 534 HG2 ARG 67 1HG ARG 67 -11.932 2.868 5.604 535 HG3 ARG 67 2HG ARG 67 -10.435 3.729 5.255 536 HD2 ARG 67 1HD ARG 67 -12.775 4.040 3.375 537 HD3 ARG 67 2HD ARG 67 -12.787 4.901 4.914 538 HH11 ARG 67 1HH1 ARG 67 -13.475 5.602 2.294 539 HH12 ARG 67 2HH1 ARG 67 -13.092 7.048 1.406 540 HH21 ARG 67 1HH2 ARG 67 -9.905 7.432 2.814 541 HH22 ARG 67 2HH2 ARG 67 -11.067 8.083 1.694 542 H ARG 68 H ARG 68 -8.036 1.547 3.769 543 HA ARG 68 HA ARG 68 -6.838 3.978 4.776 544 HE ARG 68 HE ARG 68 -8.430 1.683 8.636 545 HB2 ARG 68 1HB ARG 68 -5.701 1.150 4.829 546 HB3 ARG 68 2HB ARG 68 -5.183 2.521 5.812 547 HG2 ARG 68 1HG ARG 68 -7.829 1.074 5.961 548 HG3 ARG 68 2HG ARG 68 -6.541 1.074 7.155 549 HD2 ARG 68 1HD ARG 68 -6.891 3.516 7.506 550 HD3 ARG 68 2HD ARG 68 -8.223 3.474 6.349 551 HH11 ARG 68 1HH1 ARG 68 -9.385 4.764 7.227 552 HH12 ARG 68 2HH1 ARG 68 -10.677 5.005 8.363 553 HH21 ARG 68 1HH2 ARG 68 -10.120 2.025 10.098 554 HH22 ARG 68 2HH2 ARG 68 -11.088 3.455 9.981 555 H ALA 69 H ALA 69 -6.378 1.947 2.017 556 HA ALA 69 HA ALA 69 -3.857 2.776 1.081 557 HB1 ALA 69 3HB ALA 69 -5.159 0.969 0.008 558 HB2 ALA 69 1HB ALA 69 -4.700 2.193 -1.174 559 HB3 ALA 69 2HB ALA 69 -6.352 2.141 -0.552 560 H LEU 70 H LEU 70 -7.087 4.081 0.374 561 HA LEU 70 HA LEU 70 -6.329 6.440 -0.943 562 HG LEU 70 HG LEU 70 -8.858 8.240 0.187 563 HB2 LEU 70 1HB LEU 70 -8.599 5.464 -1.038 564 HB3 LEU 70 2HB LEU 70 -8.849 5.828 0.661 565 HD11 LEU 70 1HD1 LEU 70 -7.250 8.337 -1.652 566 HD12 LEU 70 2HD1 LEU 70 -8.756 9.130 -2.100 567 HD13 LEU 70 3HD1 LEU 70 -8.394 7.519 -2.722 568 HD21 LEU 70 3HD2 LEU 70 -11.010 7.072 0.004 569 HD22 LEU 70 1HD2 LEU 70 -10.700 6.725 -1.700 570 HD23 LEU 70 2HD2 LEU 70 -10.927 8.390 -1.161 571 H ASP 71 H ASP 71 -7.329 5.991 2.486 572 HA ASP 71 HA ASP 71 -7.173 8.535 3.483 573 HB2 ASP 71 1HB ASP 71 -6.557 5.879 4.823 574 HB3 ASP 71 2HB ASP 71 -6.581 7.380 5.728 575 H ALA 72 H ALA 72 -4.532 6.159 3.470 576 HA ALA 72 HA ALA 72 -2.560 7.714 4.738 577 HB1 ALA 72 3HB ALA 72 -0.955 6.058 3.868 578 HB2 ALA 72 1HB ALA 72 -2.186 5.422 2.776 579 HB3 ALA 72 2HB ALA 72 -2.392 5.269 4.524 580 H ALA 73 H ALA 73 -3.130 7.049 1.275 581 HA ALA 73 HA ALA 73 -1.005 8.610 0.269 582 HB1 ALA 73 3HB ALA 73 -2.078 8.323 -1.916 583 HB2 ALA 73 1HB ALA 73 -3.553 7.757 -1.133 584 HB3 ALA 73 2HB ALA 73 -2.071 6.807 -1.013 585 H LYS 74 H LYS 74 -4.335 9.501 1.131 586 HA LYS 74 HA LYS 74 -4.474 11.998 -0.218 587 HB2 LYS 74 1HB LYS 74 -5.896 11.233 2.377 588 HB3 LYS 74 2HB LYS 74 -6.280 12.626 1.363 589 HG2 LYS 74 1HG LYS 74 -6.710 10.865 -0.502 590 HG3 LYS 74 2HG LYS 74 -6.725 9.700 0.812 591 HD2 LYS 74 1HD LYS 74 -8.990 10.215 0.524 592 HD3 LYS 74 2HD LYS 74 -8.525 11.224 1.895 593 HE2 LYS 74 1HE LYS 74 -8.330 13.172 0.406 594 HE3 LYS 74 2HE LYS 74 -8.699 12.153 -0.998 595 HZ1 LYS 74 3HZ LYS 74 -10.541 12.631 1.291 596 HZ2 LYS 74 1HZ LYS 74 -10.875 11.738 -0.106 597 HZ3 LYS 74 2HZ LYS 74 -10.627 13.404 -0.214 598 H SER 75 H SER 75 -3.677 11.188 3.144 599 HA SER 75 HA SER 75 -3.033 13.705 4.125 600 HG SER 75 HG SER 75 -3.657 10.510 5.449 601 HB2 SER 75 1HB SER 75 -1.719 11.073 4.935 602 HB3 SER 75 2HB SER 75 -1.898 12.520 5.937 603 H MET 76 H MET 76 -1.015 11.404 2.336 604 HA MET 76 HA MET 76 1.452 12.819 2.742 605 HB2 MET 76 1HB MET 76 0.932 10.703 0.628 606 HB3 MET 76 2HB MET 76 2.480 11.193 1.303 607 HG2 MET 76 1HG MET 76 0.398 9.386 2.438 608 HG3 MET 76 2HG MET 76 2.148 9.224 2.452 609 HE1 MET 76 3HE MET 76 3.086 11.612 5.463 610 HE2 MET 76 1HE MET 76 3.063 12.053 3.756 611 HE3 MET 76 2HE MET 76 3.721 10.492 4.256 612 H HIS 77 H HIS 77 -0.859 12.580 0.042 613 HA HIS 77 HA HIS 77 0.451 14.281 -1.782 614 HD1 HIS 77 HD1 HIS 77 -1.527 14.013 -4.873 615 HD2 HIS 77 HD2 HIS 77 -0.837 10.915 -2.199 616 HE1 HIS 77 HE1 HIS 77 -0.948 12.022 -6.283 617 HE2 HIS 77 HE2 HIS 77 -0.688 10.126 -4.647 618 HB2 HIS 77 1HB HIS 77 -2.404 13.374 -1.455 619 HB3 HIS 77 2HB HIS 77 -2.073 14.691 -2.566 620 H GLU 78 H GLU 78 -1.625 14.994 0.990 621 HA GLU 78 HA GLU 78 -1.905 17.799 0.561 622 HB2 GLU 78 1HB GLU 78 -2.043 16.199 3.155 623 HB3 GLU 78 2HB GLU 78 -2.613 17.854 2.951 624 HG2 GLU 78 1HG GLU 78 -3.713 15.454 1.467 625 HG3 GLU 78 2HG GLU 78 -4.426 16.125 2.915 626 H LEU 79 H LEU 79 0.553 15.789 2.144 627 HA LEU 79 HA LEU 79 2.091 18.005 3.177 628 HG LEU 79 HG LEU 79 1.321 14.885 4.308 629 HB2 LEU 79 1HB LEU 79 3.029 15.152 2.687 630 HB3 LEU 79 2HB LEU 79 3.864 16.367 3.642 631 HD11 LEU 79 1HD1 LEU 79 2.495 14.232 6.342 632 HD12 LEU 79 2HD1 LEU 79 3.901 15.185 5.859 633 HD13 LEU 79 3HD1 LEU 79 3.416 13.780 4.909 634 HD21 LEU 79 3HD2 LEU 79 0.803 17.188 4.882 635 HD22 LEU 79 1HD2 LEU 79 2.334 17.361 5.747 636 HD23 LEU 79 2HD2 LEU 79 1.086 16.274 6.360 637 H GLY 80 H GLY 80 1.751 16.599 0.069 638 HA2 GLY 80 1HA GLY 80 2.503 18.002 -1.771 639 HA3 GLY 80 2HA GLY 80 4.040 18.203 -0.951 640 H TYR 81 H TYR 81 3.427 15.050 -0.394 641 HA TYR 81 HA TYR 81 5.166 14.112 -2.525 642 HD1 TYR 81 HD2 TYR 81 7.289 13.009 -1.069 643 HD2 TYR 81 HD1 TYR 81 3.992 13.359 1.647 644 HE1 TYR 81 HE2 TYR 81 8.834 13.581 0.752 645 HE2 TYR 81 HE1 TYR 81 5.553 13.939 3.454 646 HH TYR 81 HH TYR 81 8.868 14.666 2.873 647 HB2 TYR 81 1HB TYR 81 3.601 12.453 -0.498 648 HB3 TYR 81 2HB TYR 81 4.949 11.893 -1.486 649 H THR 82 H THR 82 4.443 12.005 -3.737 650 HA THR 82 HA THR 82 1.582 11.964 -4.418 651 HB THR 82 HB THR 82 2.305 11.707 -6.931 652 HG1 THR 82 HG1 THR 82 4.540 13.263 -6.126 653 HG21 THR 82 3HG2 THR 82 2.556 14.459 -5.671 654 HG22 THR 82 1HG2 THR 82 1.043 13.682 -6.147 655 HG23 THR 82 2HG2 THR 82 2.233 14.125 -7.373 656 HA PRO 83 HA PRO 83 3.171 7.556 -4.259 657 HB2 PRO 83 1HB PRO 83 1.830 6.677 -2.064 658 HB3 PRO 83 2HB PRO 83 3.419 7.444 -1.937 659 HG2 PRO 83 1HG PRO 83 0.690 8.668 -1.508 660 HG3 PRO 83 2HG PRO 83 2.153 8.809 -0.506 661 HD2 PRO 83 1HD PRO 83 1.418 10.738 -2.288 662 HD3 PRO 83 2HD PRO 83 3.114 10.400 -1.893 663 H TYR 84 H TYR 84 1.979 5.991 -5.228 664 HA TYR 84 HA TYR 84 -0.827 6.264 -5.906 665 HD1 TYR 84 HD2 TYR 84 -1.018 5.553 -8.861 666 HD2 TYR 84 HD1 TYR 84 2.980 5.270 -7.347 667 HE1 TYR 84 HE2 TYR 84 -0.166 6.648 -10.888 668 HE2 TYR 84 HE1 TYR 84 3.810 6.379 -9.376 669 HH TYR 84 HH TYR 84 1.823 7.972 -11.567 670 HB2 TYR 84 1HB TYR 84 1.142 3.959 -6.314 671 HB3 TYR 84 2HB TYR 84 -0.486 4.016 -6.981 672 H TYR 85 H TYR 85 -2.193 4.137 -5.521 673 HA TYR 85 HA TYR 85 -1.675 2.739 -3.043 674 HD1 TYR 85 HD1 TYR 85 -2.913 6.527 -3.920 675 HD2 TYR 85 HD2 TYR 85 -5.984 3.784 -2.778 676 HE1 TYR 85 HE1 TYR 85 -4.596 7.994 -4.913 677 HE2 TYR 85 HE2 TYR 85 -7.669 5.262 -3.777 678 HH TYR 85 HH TYR 85 -6.858 7.836 -5.837 679 HB2 TYR 85 1HB TYR 85 -3.743 3.513 -1.899 680 HB3 TYR 85 2HB TYR 85 -2.557 4.787 -2.099 681 H LEU 86 H LEU 86 -2.934 0.909 -2.778 682 HA LEU 86 HA LEU 86 -4.305 -0.009 -5.211 683 HG LEU 86 HG LEU 86 -2.823 -3.428 -4.812 684 HB2 LEU 86 1HB LEU 86 -2.250 -1.191 -4.458 685 HB3 LEU 86 2HB LEU 86 -3.049 -1.643 -2.975 686 HD11 LEU 86 1HD1 LEU 86 -4.975 -4.489 -4.402 687 HD12 LEU 86 2HD1 LEU 86 -5.614 -2.975 -3.756 688 HD13 LEU 86 3HD1 LEU 86 -4.303 -3.807 -2.921 689 HD21 LEU 86 3HD2 LEU 86 -3.422 -2.026 -6.720 690 HD22 LEU 86 1HD2 LEU 86 -5.074 -1.885 -6.109 691 HD23 LEU 86 2HD2 LEU 86 -4.445 -3.454 -6.616 692 H GLU 87 H GLU 87 -6.419 0.119 -5.060 693 HA GLU 87 HA GLU 87 -7.895 -0.577 -2.605 694 HB2 GLU 87 1HB GLU 87 -8.827 0.579 -5.272 695 HB3 GLU 87 2HB GLU 87 -9.898 0.182 -3.929 696 HG2 GLU 87 1HG GLU 87 -8.677 1.841 -2.512 697 HG3 GLU 87 2HG GLU 87 -7.695 2.268 -3.913 698 H GLY 88 H GLY 88 -7.779 -2.725 -2.425 699 HA2 GLY 88 1HA GLY 88 -9.355 -4.477 -3.976 700 HA3 GLY 88 2HA GLY 88 -7.663 -4.683 -4.430 701 H ASN 89 H ASN 89 -9.153 -6.740 -3.229 702 HA ASN 89 HA ASN 89 -8.857 -6.738 -0.365 703 HB2 ASN 89 1HB ASN 89 -9.804 -8.870 -2.305 704 HB3 ASN 89 2HB ASN 89 -9.680 -9.153 -0.572 705 HD21 ASN 89 2HD2 ASN 89 -11.887 -9.522 -0.422 706 HD22 ASN 89 1HD2 ASN 89 -13.051 -8.249 -0.505 707 H VAL 90 H VAL 90 -7.240 -7.566 0.855 708 HA VAL 90 HA VAL 90 -4.701 -7.983 -0.335 709 HB VAL 90 HB VAL 90 -5.058 -6.945 1.928 710 HG11 VAL 90 1HG1 VAL 90 -5.461 -9.786 2.917 711 HG12 VAL 90 2HG1 VAL 90 -6.681 -8.514 2.873 712 HG13 VAL 90 3HG1 VAL 90 -5.281 -8.352 3.934 713 HG21 VAL 90 3HG2 VAL 90 -2.800 -7.607 1.262 714 HG22 VAL 90 1HG2 VAL 90 -3.063 -9.241 1.878 715 HG23 VAL 90 2HG2 VAL 90 -3.017 -7.870 2.992 716 H TYR 91 H TYR 91 -7.155 -10.210 0.698 717 HA TYR 91 HA TYR 91 -5.483 -12.579 0.723 718 HD1 TYR 91 HD1 TYR 91 -6.263 -13.606 3.390 719 HD2 TYR 91 HD2 TYR 91 -9.035 -10.588 2.186 720 HE1 TYR 91 HE1 TYR 91 -6.331 -12.747 5.691 721 HE2 TYR 91 HE2 TYR 91 -9.092 -9.723 4.482 722 HH TYR 91 HH TYR 91 -6.879 -10.542 6.833 723 HB2 TYR 91 1HB TYR 91 -8.532 -12.430 0.677 724 HB3 TYR 91 2HB TYR 91 -7.541 -13.785 1.211 725 H ASP 92 H ASP 92 -7.213 -10.747 -1.612 726 HA ASP 92 HA ASP 92 -7.612 -12.885 -3.538 727 HB2 ASP 92 1HB ASP 92 -8.311 -9.939 -3.503 728 HB3 ASP 92 2HB ASP 92 -8.419 -10.859 -4.999 729 H PHE 93 H PHE 93 -4.973 -10.953 -2.752 730 HA PHE 93 HA PHE 93 -3.866 -10.353 -5.273 731 HD1 PHE 93 HD2 PHE 93 -4.656 -8.636 -4.172 732 HD2 PHE 93 HD1 PHE 93 -1.232 -8.950 -1.638 733 HE1 PHE 93 HE2 PHE 93 -5.116 -6.403 -3.273 734 HE2 PHE 93 HE1 PHE 93 -1.704 -6.718 -0.746 735 HZ PHE 93 HZ PHE 93 -3.637 -5.435 -1.556 736 HB2 PHE 93 1HB PHE 93 -2.409 -11.007 -2.688 737 HB3 PHE 93 2HB PHE 93 -1.662 -10.276 -4.100 738 H GLU 94 H GLU 94 -3.277 -13.159 -3.137 739 HA GLU 94 HA GLU 94 -1.530 -14.631 -4.721 740 HB2 GLU 94 1HB GLU 94 -3.454 -15.367 -2.515 741 HB3 GLU 94 2HB GLU 94 -2.584 -16.648 -3.347 742 HG2 GLU 94 1HG GLU 94 -1.119 -14.310 -2.124 743 HG3 GLU 94 2HG GLU 94 -1.613 -15.685 -1.144 744 H LYS 95 H LYS 95 -5.112 -14.749 -4.728 745 HA LYS 95 HA LYS 95 -5.236 -16.929 -6.609 746 HB2 LYS 95 1HB LYS 95 -7.684 -16.547 -6.616 747 HB3 LYS 95 2HB LYS 95 -7.034 -16.687 -4.988 748 HG2 LYS 95 1HG LYS 95 -7.103 -14.245 -4.747 749 HG3 LYS 95 2HG LYS 95 -7.759 -14.096 -6.373 750 HD2 LYS 95 1HD LYS 95 -9.165 -15.614 -4.139 751 HD3 LYS 95 2HD LYS 95 -9.433 -13.904 -4.466 752 HE2 LYS 95 1HE LYS 95 -11.207 -15.009 -5.554 753 HE3 LYS 95 2HE LYS 95 -10.074 -14.620 -6.847 754 HZ1 LYS 95 3HZ LYS 95 -9.306 -16.881 -6.842 755 HZ2 LYS 95 1HZ LYS 95 -10.991 -16.875 -6.985 756 HZ3 LYS 95 2HZ LYS 95 -10.271 -17.258 -5.503 757 H TYR 96 H TYR 96 -5.102 -13.454 -6.897 758 HA TYR 96 HA TYR 96 -5.769 -13.382 -9.720 759 HD1 TYR 96 HD2 TYR 96 -7.430 -12.625 -7.467 760 HD2 TYR 96 HD1 TYR 96 -6.245 -9.362 -9.969 761 HE1 TYR 96 HE2 TYR 96 -9.751 -11.822 -7.530 762 HE2 TYR 96 HE1 TYR 96 -8.569 -8.567 -10.027 763 HH TYR 96 HH TYR 96 -10.894 -9.536 -7.904 764 HB2 TYR 96 1HB TYR 96 -4.795 -11.346 -7.705 765 HB3 TYR 96 2HB TYR 96 -4.629 -10.980 -9.416 766 H GLY 97 H GLY 97 -2.969 -14.159 -7.869 767 HA2 GLY 97 1HA GLY 97 -1.320 -15.527 -9.002 768 HA3 GLY 97 2HA GLY 97 -1.421 -14.466 -10.399 769 H PHE 98 H PHE 98 -1.419 -12.879 -7.379 770 HA PHE 98 HA PHE 98 1.294 -11.861 -7.804 771 HD1 PHE 98 HD1 PHE 98 1.271 -9.423 -8.597 772 HD2 PHE 98 HD2 PHE 98 -2.729 -10.163 -7.278 773 HE1 PHE 98 HE1 PHE 98 0.410 -8.091 -10.467 774 HE2 PHE 98 HE2 PHE 98 -3.587 -8.831 -9.161 775 HZ PHE 98 HZ PHE 98 -2.023 -7.796 -10.757 776 HB2 PHE 98 1HB PHE 98 -0.919 -10.896 -5.940 777 HB3 PHE 98 2HB PHE 98 0.646 -10.109 -6.144 778 H ARG 99 H ARG 99 2.931 -12.475 -6.597 779 HA ARG 99 HA ARG 99 2.836 -14.498 -4.634 780 HE ARG 99 HE ARG 99 7.420 -14.907 -2.464 781 HB2 ARG 99 1HB ARG 99 4.813 -14.313 -5.932 782 HB3 ARG 99 2HB ARG 99 4.976 -12.593 -5.628 783 HG2 ARG 99 1HG ARG 99 6.734 -13.876 -4.503 784 HG3 ARG 99 2HG ARG 99 5.717 -13.035 -3.340 785 HD2 ARG 99 1HD ARG 99 4.577 -15.097 -2.777 786 HD3 ARG 99 2HD ARG 99 5.465 -15.977 -4.032 787 HH11 ARG 99 1HH1 ARG 99 4.679 -16.997 -1.734 788 HH12 ARG 99 2HH1 ARG 99 5.474 -17.738 -0.384 789 HH21 ARG 99 1HH2 ARG 99 8.418 -15.897 -0.704 790 HH22 ARG 99 2HH2 ARG 99 7.589 -17.137 0.180 791 H MET 100 H MET 100 2.614 -14.434 -2.536 792 HA MET 100 HA MET 100 2.996 -11.967 -0.952 793 HB2 MET 100 1HB MET 100 0.649 -13.893 -0.606 794 HB3 MET 100 2HB MET 100 1.002 -12.503 0.411 795 HG2 MET 100 1HG MET 100 0.666 -11.062 -1.653 796 HG3 MET 100 2HG MET 100 0.043 -12.509 -2.446 797 HE1 MET 100 3HE MET 100 -1.895 -10.565 1.253 798 HE2 MET 100 1HE MET 100 -0.453 -9.936 0.452 799 HE3 MET 100 2HE MET 100 -0.379 -11.461 1.343 800 H VAL 101 H VAL 101 2.854 -12.601 1.442 801 HA VAL 101 HA VAL 101 4.382 -15.074 1.986 802 HB VAL 101 HB VAL 101 4.624 -12.436 3.519 803 HG11 VAL 101 1HG1 VAL 101 6.367 -14.928 3.618 804 HG12 VAL 101 2HG1 VAL 101 5.223 -14.406 4.856 805 HG13 VAL 101 3HG1 VAL 101 6.652 -13.432 4.515 806 HG21 VAL 101 3HG2 VAL 101 5.480 -12.077 1.246 807 HG22 VAL 101 1HG2 VAL 101 6.526 -13.491 1.393 808 HG23 VAL 101 2HG2 VAL 101 6.802 -12.077 2.412 809 H TYR 102 H TYR 102 3.717 -16.240 3.770 810 HA TYR 102 HA TYR 102 1.557 -15.234 5.520 811 HD1 TYR 102 HD1 TYR 102 -1.333 -16.201 5.064 812 HD2 TYR 102 HD2 TYR 102 1.404 -17.400 2.008 813 HE1 TYR 102 HE1 TYR 102 -2.987 -15.637 3.352 814 HE2 TYR 102 HE2 TYR 102 -0.267 -16.833 0.293 815 HH TYR 102 HH TYR 102 -3.013 -15.008 0.934 816 HB2 TYR 102 1HB TYR 102 1.777 -18.061 4.368 817 HB3 TYR 102 2HB TYR 102 0.641 -17.562 5.617 818 H ASP 103 H ASP 103 1.572 -16.179 7.646 819 HA ASP 103 HA ASP 103 2.586 -16.488 9.633 820 HB2 ASP 103 1HB ASP 103 4.382 -18.408 8.077 821 HB3 ASP 103 2HB ASP 103 4.420 -18.240 9.828 822 H ASP 104 H ASP 104 2.980 -14.250 9.002 823 HA ASP 104 HA ASP 104 5.710 -13.449 8.294 824 HB2 ASP 104 1HB ASP 104 3.390 -11.563 8.836 825 HB3 ASP 104 2HB ASP 104 4.774 -11.334 7.761 826 H THR 105 H THR 105 3.709 -13.808 11.001 827 HA THR 105 HA THR 105 4.756 -11.956 12.846 828 HB THR 105 HB THR 105 2.635 -13.092 13.245 829 HG1 THR 105 HG1 THR 105 3.736 -12.384 15.086 830 HG21 THR 105 3HG2 THR 105 4.228 -15.656 13.605 831 HG22 THR 105 1HG2 THR 105 3.114 -15.307 12.280 832 HG23 THR 105 2HG2 THR 105 2.504 -15.462 13.928 833 H CYS 106 H CYS 106 5.978 -14.978 11.662 834 HA CYS 106 HA CYS 106 8.576 -14.548 12.826 835 HG CYS 106 HG CYS 106 10.142 -16.375 14.688 836 HB2 CYS 106 1HB CYS 106 7.502 -15.799 14.684 837 HB3 CYS 106 2HB CYS 106 6.997 -17.064 13.566 838 H ASP 107 H ASP 107 9.979 -15.080 11.208 839 HA ASP 107 HA ASP 107 9.120 -16.165 8.739 840 HB2 ASP 107 1HB ASP 107 11.944 -15.740 9.803 841 HB3 ASP 107 2HB ASP 107 11.563 -16.176 8.137 842 H LYS 108 H LYS 108 8.144 -18.077 9.219 843 HA LYS 108 HA LYS 108 9.523 -20.388 10.351 844 HB2 LYS 108 1HB LYS 108 7.164 -19.909 10.910 845 HB3 LYS 108 2HB LYS 108 6.725 -19.933 9.208 846 HG2 LYS 108 1HG LYS 108 7.335 -22.374 9.142 847 HG3 LYS 108 2HG LYS 108 7.598 -22.310 10.887 848 HD2 LYS 108 1HD LYS 108 4.970 -21.756 9.441 849 HD3 LYS 108 2HD LYS 108 5.358 -23.195 10.386 850 HE2 LYS 108 1HE LYS 108 5.555 -21.775 12.421 851 HE3 LYS 108 2HE LYS 108 5.094 -20.362 11.466 852 HZ1 LYS 108 3HZ LYS 108 3.421 -22.781 11.887 853 HZ2 LYS 108 1HZ LYS 108 2.972 -21.407 11.000 854 HZ3 LYS 108 2HZ LYS 108 3.224 -21.299 12.670 855 H LYS 109 H LYS 109 8.309 -19.177 7.311 856 HA LYS 109 HA LYS 109 9.837 -20.973 5.646 857 HB2 LYS 109 1HB LYS 109 7.758 -21.784 4.410 858 HB3 LYS 109 2HB LYS 109 7.949 -22.450 6.027 859 HG2 LYS 109 1HG LYS 109 6.288 -20.899 6.916 860 HG3 LYS 109 2HG LYS 109 6.123 -20.130 5.334 861 HD2 LYS 109 1HD LYS 109 5.159 -22.143 4.379 862 HD3 LYS 109 2HD LYS 109 5.508 -23.067 5.844 863 HE2 LYS 109 1HE LYS 109 3.126 -22.426 5.700 864 HE3 LYS 109 2HE LYS 109 3.920 -21.734 7.113 865 HZ1 LYS 109 3HZ LYS 109 3.251 -20.326 4.584 866 HZ2 LYS 109 1HZ LYS 109 4.155 -19.641 5.840 867 HZ3 LYS 109 2HZ LYS 109 2.547 -20.087 6.103 868 H ASN 110 H ASN 110 9.448 -20.415 3.321 869 HA ASN 110 HA ASN 110 8.365 -17.790 2.715 870 HB2 ASN 110 1HB ASN 110 10.646 -17.300 3.669 871 HB3 ASN 110 2HB ASN 110 11.369 -18.325 2.432 872 HD21 ASN 110 2HD2 ASN 110 12.574 -16.608 1.560 873 HD22 ASN 110 1HD2 ASN 110 11.843 -15.324 0.667 Start of MODEL 11 1 HA MET 1 HA MET 1 -7.706 14.843 -8.423 2 H1 MET 1 1H MET 1 -6.733 15.473 -6.348 3 H2 MET 1 2H MET 1 -6.828 16.821 -7.351 4 H3 MET 1 3H MET 1 -5.343 16.050 -7.113 5 HB2 MET 1 1HB MET 1 -6.496 16.748 -9.667 6 HB3 MET 1 2HB MET 1 -5.077 15.716 -9.709 7 HG2 MET 1 1HG MET 1 -6.443 14.023 -10.984 8 HG3 MET 1 2HG MET 1 -7.742 15.211 -11.054 9 HE1 MET 1 3HE MET 1 -3.629 15.752 -13.117 10 HE2 MET 1 1HE MET 1 -4.087 14.296 -12.235 11 HE3 MET 1 2HE MET 1 -3.803 15.807 -11.365 12 H LEU 2 H LEU 2 -6.262 13.704 -6.165 13 HA LEU 2 HA LEU 2 -4.183 11.956 -7.229 14 HG LEU 2 HG LEU 2 -5.596 10.449 -4.285 15 HB2 LEU 2 1HB LEU 2 -3.438 11.650 -5.107 16 HB3 LEU 2 2HB LEU 2 -4.304 13.146 -4.830 17 HD11 LEU 2 1HD1 LEU 2 -3.521 10.476 -3.036 18 HD12 LEU 2 2HD1 LEU 2 -4.909 10.620 -1.959 19 HD13 LEU 2 3HD1 LEU 2 -3.939 12.045 -2.336 20 HD21 LEU 2 3HD2 LEU 2 -7.141 12.352 -4.375 21 HD22 LEU 2 1HD2 LEU 2 -6.182 13.208 -3.161 22 HD23 LEU 2 2HD2 LEU 2 -7.021 11.713 -2.737 23 H GLU 3 H GLU 3 -7.560 11.726 -6.581 24 HA GLU 3 HA GLU 3 -7.656 8.925 -6.062 25 HB2 GLU 3 1HB GLU 3 -10.127 9.072 -6.492 26 HB3 GLU 3 2HB GLU 3 -9.525 10.117 -5.225 27 HG2 GLU 3 1HG GLU 3 -10.062 11.107 -8.025 28 HG3 GLU 3 2HG GLU 3 -11.306 11.060 -6.783 29 H ASP 4 H ASP 4 -7.235 10.722 -8.921 30 HA ASP 4 HA ASP 4 -7.935 8.721 -10.859 31 HB2 ASP 4 1HB ASP 4 -6.027 11.098 -11.024 32 HB3 ASP 4 2HB ASP 4 -6.573 10.149 -12.408 33 H TYR 5 H TYR 5 -5.328 9.039 -8.654 34 HA TYR 5 HA TYR 5 -3.405 7.318 -10.016 35 HD1 TYR 5 HD1 TYR 5 -3.951 10.364 -9.380 36 HD2 TYR 5 HD2 TYR 5 -0.310 8.864 -7.710 37 HE1 TYR 5 HE1 TYR 5 -2.805 12.443 -10.003 38 HE2 TYR 5 HE2 TYR 5 0.831 10.945 -8.340 39 HH TYR 5 HH TYR 5 0.596 12.804 -9.892 40 HB2 TYR 5 1HB TYR 5 -3.486 8.388 -7.151 41 HB3 TYR 5 2HB TYR 5 -2.175 7.420 -7.800 42 H ALA 6 H ALA 6 -6.335 6.625 -8.820 43 HA ALA 6 HA ALA 6 -6.014 4.494 -6.990 44 HB1 ALA 6 3HB ALA 6 -8.146 5.703 -7.290 45 HB2 ALA 6 1HB ALA 6 -8.361 3.959 -7.476 46 HB3 ALA 6 2HB ALA 6 -8.322 5.006 -8.898 47 H ILE 7 H ILE 7 -4.555 2.982 -7.650 48 HA ILE 7 HA ILE 7 -4.918 1.521 -10.152 49 HB ILE 7 HB ILE 7 -3.019 0.863 -7.840 50 HG12 ILE 7 1HG1 ILE 7 -2.504 2.576 -10.330 51 HG13 ILE 7 2HG1 ILE 7 -2.525 3.142 -8.669 52 HG21 ILE 7 1HG2 ILE 7 -1.771 -0.422 -9.554 53 HG22 ILE 7 2HG2 ILE 7 -2.983 -0.002 -10.766 54 HG23 ILE 7 3HG2 ILE 7 -3.424 -1.016 -9.391 55 HD11 ILE 7 3HD1 ILE 7 -0.274 2.975 -9.489 56 HD12 ILE 7 1HD1 ILE 7 -0.499 1.269 -9.876 57 HD13 ILE 7 2HD1 ILE 7 -0.527 1.807 -8.195 58 H SER 8 H SER 8 -6.205 -0.242 -10.293 59 HA SER 8 HA SER 8 -7.423 -1.393 -7.864 60 HG SER 8 HG SER 8 -8.820 0.091 -8.876 61 HB2 SER 8 1HB SER 8 -8.143 -1.745 -10.807 62 HB3 SER 8 2HB SER 8 -9.040 -2.427 -9.444 63 H LEU 9 H LEU 9 -7.661 -3.750 -7.747 64 HA LEU 9 HA LEU 9 -5.177 -5.082 -7.899 65 HG LEU 9 HG LEU 9 -6.683 -8.117 -7.756 66 HB2 LEU 9 1HB LEU 9 -6.794 -5.537 -6.148 67 HB3 LEU 9 2HB LEU 9 -7.978 -6.093 -7.318 68 HD11 LEU 9 1HD1 LEU 9 -4.607 -8.646 -6.514 69 HD12 LEU 9 2HD1 LEU 9 -4.595 -7.006 -5.859 70 HD13 LEU 9 3HD1 LEU 9 -4.410 -7.265 -7.593 71 HD21 LEU 9 3HD2 LEU 9 -6.848 -9.205 -5.564 72 HD22 LEU 9 1HD2 LEU 9 -8.234 -8.153 -5.846 73 HD23 LEU 9 2HD2 LEU 9 -6.934 -7.631 -4.769 74 H GLU 10 H GLU 10 -7.832 -4.929 -10.129 75 HA GLU 10 HA GLU 10 -7.257 -7.242 -11.721 76 HB2 GLU 10 1HB GLU 10 -8.878 -6.256 -13.307 77 HB3 GLU 10 2HB GLU 10 -9.491 -6.215 -11.659 78 HG2 GLU 10 1HG GLU 10 -8.848 -3.817 -11.491 79 HG3 GLU 10 2HG GLU 10 -8.283 -3.867 -13.158 80 H GLU 11 H GLU 11 -5.760 -4.152 -11.532 81 HA GLU 11 HA GLU 11 -4.521 -4.385 -14.226 82 HB2 GLU 11 1HB GLU 11 -4.647 -1.887 -14.371 83 HB3 GLU 11 2HB GLU 11 -6.234 -2.649 -14.329 84 HG2 GLU 11 1HG GLU 11 -6.416 -2.117 -11.913 85 HG3 GLU 11 2HG GLU 11 -4.845 -1.325 -11.980 86 H VAL 12 H VAL 12 -3.820 -4.606 -11.049 87 HA VAL 12 HA VAL 12 -1.571 -2.753 -10.892 88 HB VAL 12 HB VAL 12 -3.091 -3.191 -8.930 89 HG11 VAL 12 1HG1 VAL 12 -3.387 -5.615 -9.158 90 HG12 VAL 12 2HG1 VAL 12 -2.812 -5.185 -7.549 91 HG13 VAL 12 3HG1 VAL 12 -1.693 -5.876 -8.726 92 HG21 VAL 12 3HG2 VAL 12 -0.897 -2.160 -8.568 93 HG22 VAL 12 1HG2 VAL 12 -0.144 -3.749 -8.407 94 HG23 VAL 12 2HG2 VAL 12 -1.320 -3.200 -7.208 95 H ASN 13 H ASN 13 0.581 -3.334 -10.676 96 HA ASN 13 HA ASN 13 1.406 -6.172 -10.791 97 HB2 ASN 13 1HB ASN 13 2.648 -3.868 -12.378 98 HB3 ASN 13 2HB ASN 13 3.394 -5.451 -12.191 99 HD21 ASN 13 2HD2 ASN 13 0.710 -3.713 -13.644 100 HD22 ASN 13 1HD2 ASN 13 0.341 -4.914 -14.829 101 H PHE 14 H PHE 14 1.797 -6.163 -8.547 102 HA PHE 14 HA PHE 14 2.808 -3.979 -7.085 103 HD1 PHE 14 HD2 PHE 14 1.431 -3.690 -5.071 104 HD2 PHE 14 HD1 PHE 14 0.617 -7.718 -6.220 105 HE1 PHE 14 HE2 PHE 14 -0.918 -3.424 -4.397 106 HE2 PHE 14 HE1 PHE 14 -1.727 -7.441 -5.550 107 HZ PHE 14 HZ PHE 14 -2.498 -5.294 -4.637 108 HB2 PHE 14 1HB PHE 14 2.829 -6.940 -6.376 109 HB3 PHE 14 2HB PHE 14 3.274 -5.667 -5.245 110 H ASN 15 H ASN 15 4.508 -6.484 -8.835 111 HA ASN 15 HA ASN 15 7.123 -6.197 -7.841 112 HB2 ASN 15 1HB ASN 15 7.876 -7.238 -9.932 113 HB3 ASN 15 2HB ASN 15 6.415 -8.035 -9.372 114 HD21 ASN 15 2HD2 ASN 15 7.797 -6.017 -11.857 115 HD22 ASN 15 1HD2 ASN 15 6.466 -6.114 -12.956 116 H ASP 16 H ASP 16 5.281 -4.238 -10.047 117 HA ASP 16 HA ASP 16 7.413 -2.825 -11.301 118 HB2 ASP 16 1HB ASP 16 5.171 -3.212 -12.356 119 HB3 ASP 16 2HB ASP 16 4.444 -2.152 -11.162 120 H PHE 17 H PHE 17 5.763 -2.411 -8.258 121 HA PHE 17 HA PHE 17 6.807 0.372 -8.000 122 HD1 PHE 17 HD1 PHE 17 4.447 1.552 -9.447 123 HD2 PHE 17 HD2 PHE 17 2.775 -1.785 -7.393 124 HE1 PHE 17 HE1 PHE 17 2.759 1.330 -11.200 125 HE2 PHE 17 HE2 PHE 17 1.086 -2.012 -9.163 126 HZ PHE 17 HZ PHE 17 1.076 -0.464 -11.072 127 HB2 PHE 17 1HB PHE 17 4.445 -0.454 -6.314 128 HB3 PHE 17 2HB PHE 17 4.871 1.120 -6.943 129 H ILE 18 H ILE 18 7.633 0.955 -5.913 130 HA ILE 18 HA ILE 18 8.377 -1.128 -4.035 131 HB ILE 18 HB ILE 18 8.503 1.910 -3.656 132 HG12 ILE 18 1HG1 ILE 18 10.711 0.015 -4.609 133 HG13 ILE 18 2HG1 ILE 18 9.884 1.206 -5.605 134 HG21 ILE 18 1HG2 ILE 18 9.919 -0.306 -2.112 135 HG22 ILE 18 2HG2 ILE 18 8.570 0.667 -1.522 136 HG23 ILE 18 3HG2 ILE 18 10.127 1.428 -1.850 137 HD11 ILE 18 3HD1 ILE 18 12.065 2.001 -4.990 138 HD12 ILE 18 1HD1 ILE 18 11.712 1.780 -3.277 139 HD13 ILE 18 2HD1 ILE 18 10.840 3.000 -4.210 140 H VAL 19 H VAL 19 6.723 -2.026 -2.858 141 HA VAL 19 HA VAL 19 4.211 -0.518 -2.605 142 HB VAL 19 HB VAL 19 4.764 -3.458 -1.943 143 HG11 VAL 19 1HG1 VAL 19 2.117 -2.029 -2.404 144 HG12 VAL 19 2HG1 VAL 19 2.719 -2.630 -0.861 145 HG13 VAL 19 3HG1 VAL 19 2.316 -3.765 -2.148 146 HG21 VAL 19 3HG2 VAL 19 3.666 -2.269 -4.523 147 HG22 VAL 19 1HG2 VAL 19 3.778 -3.993 -4.151 148 HG23 VAL 19 2HG2 VAL 19 5.245 -3.030 -4.314 149 H VAL 20 H VAL 20 3.158 -0.221 -0.616 150 HA VAL 20 HA VAL 20 4.635 -0.801 1.875 151 HB VAL 20 HB VAL 20 3.114 1.767 1.205 152 HG11 VAL 20 1HG1 VAL 20 4.274 0.956 3.903 153 HG12 VAL 20 2HG1 VAL 20 2.564 1.117 3.507 154 HG13 VAL 20 3HG1 VAL 20 3.600 2.540 3.507 155 HG21 VAL 20 3HG2 VAL 20 5.257 2.911 1.663 156 HG22 VAL 20 1HG2 VAL 20 5.433 1.729 0.366 157 HG23 VAL 20 2HG2 VAL 20 6.034 1.359 1.983 158 H ASP 21 H ASP 21 3.493 -1.932 3.256 159 HA ASP 21 HA ASP 21 0.680 -2.575 2.923 160 HB2 ASP 21 1HB ASP 21 2.600 -4.137 3.745 161 HB3 ASP 21 2HB ASP 21 2.588 -3.225 5.250 162 H VAL 22 H VAL 22 -0.622 -0.720 3.377 163 HA VAL 22 HA VAL 22 0.004 0.877 5.788 164 HB VAL 22 HB VAL 22 -1.782 2.488 4.964 165 HG11 VAL 22 1HG1 VAL 22 0.542 1.972 3.064 166 HG12 VAL 22 2HG1 VAL 22 0.606 2.910 4.556 167 HG13 VAL 22 3HG1 VAL 22 -0.360 3.485 3.197 168 HG21 VAL 22 3HG2 VAL 22 -3.087 0.945 3.527 169 HG22 VAL 22 1HG2 VAL 22 -1.715 0.789 2.424 170 HG23 VAL 22 2HG2 VAL 22 -2.535 2.345 2.602 171 H ARG 23 H ARG 23 -0.561 -0.735 7.239 172 HA ARG 23 HA ARG 23 -3.417 -1.000 7.807 173 HE ARG 23 HE ARG 23 -1.571 -4.917 5.232 174 HB2 ARG 23 1HB ARG 23 -1.715 -3.483 7.262 175 HB3 ARG 23 2HB ARG 23 -3.325 -3.512 7.965 176 HG2 ARG 23 1HG ARG 23 -4.204 -2.501 5.828 177 HG3 ARG 23 2HG ARG 23 -2.593 -2.648 5.137 178 HD2 ARG 23 1HD ARG 23 -4.350 -4.930 6.108 179 HD3 ARG 23 2HD ARG 23 -4.042 -4.496 4.423 180 HH11 ARG 23 1HH1 ARG 23 -4.372 -6.893 6.051 181 HH12 ARG 23 2HH1 ARG 23 -3.439 -8.357 6.095 182 HH21 ARG 23 1HH2 ARG 23 -0.409 -6.793 5.334 183 HH22 ARG 23 2HH2 ARG 23 -1.189 -8.293 5.723 184 H GLU 24 H GLU 24 -1.415 -3.444 9.233 185 HA GLU 24 HA GLU 24 -0.659 -1.908 11.580 186 HB2 GLU 24 1HB GLU 24 -2.802 -4.092 11.686 187 HB3 GLU 24 2HB GLU 24 -1.911 -3.560 13.107 188 HG2 GLU 24 1HG GLU 24 -2.855 -1.293 12.858 189 HG3 GLU 24 2HG GLU 24 -3.733 -1.817 11.423 190 H LEU 25 H LEU 25 0.412 -3.443 13.216 191 HA LEU 25 HA LEU 25 2.408 -5.031 12.000 192 HG LEU 25 HG LEU 25 2.681 -7.017 14.627 193 HB2 LEU 25 1HB LEU 25 2.797 -4.006 14.166 194 HB3 LEU 25 2HB LEU 25 1.441 -4.864 14.877 195 HD11 LEU 25 1HD1 LEU 25 4.088 -6.467 12.703 196 HD12 LEU 25 2HD1 LEU 25 5.059 -7.056 14.048 197 HD13 LEU 25 3HD1 LEU 25 5.016 -5.327 13.684 198 HD21 LEU 25 3HD2 LEU 25 4.196 -4.895 16.188 199 HD22 LEU 25 1HD2 LEU 25 4.337 -6.640 16.419 200 HD23 LEU 25 2HD2 LEU 25 2.813 -5.828 16.762 201 H ASP 26 H ASP 26 -0.533 -5.945 13.812 202 HA ASP 26 HA ASP 26 -0.200 -8.739 13.709 203 HB2 ASP 26 1HB ASP 26 -1.786 -7.470 15.230 204 HB3 ASP 26 2HB ASP 26 -2.856 -7.249 13.855 205 H GLU 27 H GLU 27 -2.019 -6.520 11.615 206 HA GLU 27 HA GLU 27 -3.108 -8.239 9.711 207 HB2 GLU 27 1HB GLU 27 -2.162 -5.362 9.624 208 HB3 GLU 27 2HB GLU 27 -2.778 -6.116 8.162 209 HG2 GLU 27 1HG GLU 27 -4.364 -5.936 10.736 210 HG3 GLU 27 2HG GLU 27 -4.416 -4.721 9.461 211 H TYR 28 H TYR 28 0.097 -6.776 9.825 212 HA TYR 28 HA TYR 28 1.037 -7.638 7.280 213 HD1 TYR 28 HD2 TYR 28 3.218 -5.712 6.324 214 HD2 TYR 28 HD1 TYR 28 4.553 -8.066 9.637 215 HE1 TYR 28 HE2 TYR 28 5.439 -5.933 5.285 216 HE2 TYR 28 HE1 TYR 28 6.755 -8.281 8.595 217 HH TYR 28 HH TYR 28 7.763 -8.176 6.405 218 HB2 TYR 28 1HB TYR 28 1.975 -5.719 8.492 219 HB3 TYR 28 2HB TYR 28 2.490 -6.756 9.809 220 H GLU 29 H GLU 29 1.155 -9.009 10.532 221 HA GLU 29 HA GLU 29 3.166 -10.982 9.976 222 HB2 GLU 29 1HB GLU 29 1.333 -10.573 12.357 223 HB3 GLU 29 2HB GLU 29 2.560 -11.826 12.283 224 HG2 GLU 29 1HG GLU 29 4.301 -10.057 12.012 225 HG3 GLU 29 2HG GLU 29 3.046 -8.841 12.217 226 H GLU 30 H GLU 30 -0.365 -11.017 10.189 227 HA GLU 30 HA GLU 30 -0.667 -13.850 10.022 228 HB2 GLU 30 1HB GLU 30 -3.063 -13.305 9.387 229 HB3 GLU 30 2HB GLU 30 -2.525 -12.622 10.912 230 HG2 GLU 30 1HG GLU 30 -2.270 -10.446 9.903 231 HG3 GLU 30 2HG GLU 30 -2.625 -11.094 8.316 232 H LEU 31 H LEU 31 -0.599 -11.240 7.586 233 HA LEU 31 HA LEU 31 0.607 -12.885 5.629 234 HG LEU 31 HG LEU 31 -3.565 -12.672 4.463 235 HB2 LEU 31 1HB LEU 31 -1.049 -13.082 3.917 236 HB3 LEU 31 2HB LEU 31 -1.735 -13.724 5.388 237 HD11 LEU 31 1HD1 LEU 31 -4.153 -10.615 5.623 238 HD12 LEU 31 2HD1 LEU 31 -2.470 -10.395 6.111 239 HD13 LEU 31 3HD1 LEU 31 -3.389 -11.780 6.703 240 HD21 LEU 31 3HD2 LEU 31 -1.903 -10.358 3.481 241 HD22 LEU 31 1HD2 LEU 31 -3.640 -10.573 3.237 242 HD23 LEU 31 2HD2 LEU 31 -2.502 -11.712 2.519 243 H HIS 32 H HIS 32 1.359 -11.647 3.775 244 HA HIS 32 HA HIS 32 0.550 -8.939 3.321 245 HD1 HIS 32 HD1 HIS 32 3.518 -10.757 6.088 246 HD2 HIS 32 HD2 HIS 32 5.088 -8.115 3.294 247 HE1 HIS 32 HE1 HIS 32 5.964 -11.299 5.885 248 HE2 HIS 32 HE2 HIS 32 6.896 -9.625 4.290 249 HB2 HIS 32 1HB HIS 32 2.489 -7.696 4.072 250 HB3 HIS 32 2HB HIS 32 1.946 -8.654 5.442 251 H LEU 33 H LEU 33 1.850 -7.875 1.609 252 HA LEU 33 HA LEU 33 2.895 -9.681 -0.403 253 HG LEU 33 HG LEU 33 0.576 -7.927 -0.718 254 HB2 LEU 33 1HB LEU 33 2.722 -6.656 -0.214 255 HB3 LEU 33 2HB LEU 33 3.436 -7.469 -1.597 256 HD11 LEU 33 1HD1 LEU 33 -0.078 -6.398 -2.548 257 HD12 LEU 33 2HD1 LEU 33 1.619 -5.981 -2.797 258 HD13 LEU 33 3HD1 LEU 33 0.822 -5.574 -1.275 259 HD21 LEU 33 3HD2 LEU 33 1.509 -9.738 -2.099 260 HD22 LEU 33 1HD2 LEU 33 1.997 -8.570 -3.331 261 HD23 LEU 33 2HD2 LEU 33 0.286 -8.841 -2.994 262 HA PRO 34 HA PRO 34 7.076 -9.658 1.078 263 HB2 PRO 34 1HB PRO 34 8.480 -10.411 -1.144 264 HB3 PRO 34 2HB PRO 34 7.349 -11.509 -0.337 265 HG2 PRO 34 1HG PRO 34 6.888 -9.782 -2.771 266 HG3 PRO 34 2HG PRO 34 6.508 -11.505 -2.545 267 HD2 PRO 34 1HD PRO 34 4.628 -9.555 -2.252 268 HD3 PRO 34 2HD PRO 34 4.589 -11.038 -1.275 269 H ASN 35 H ASN 35 6.177 -7.579 -1.580 270 HA ASN 35 HA ASN 35 8.601 -5.919 -1.491 271 HB2 ASN 35 1HB ASN 35 6.103 -5.659 -3.228 272 HB3 ASN 35 2HB ASN 35 7.613 -4.778 -3.444 273 HD21 ASN 35 2HD2 ASN 35 6.129 -6.597 -5.225 274 HD22 ASN 35 1HD2 ASN 35 7.265 -7.794 -5.719 275 H ALA 36 H ALA 36 5.775 -6.134 0.221 276 HA ALA 36 HA ALA 36 5.143 -3.303 0.458 277 HB1 ALA 36 3HB ALA 36 3.917 -5.671 1.897 278 HB2 ALA 36 1HB ALA 36 3.311 -4.939 0.411 279 HB3 ALA 36 2HB ALA 36 3.304 -4.013 1.914 280 H THR 37 H THR 37 6.139 -2.006 1.832 281 HA THR 37 HA THR 37 7.667 -2.919 4.131 282 HB THR 37 HB THR 37 7.045 -0.106 3.095 283 HG1 THR 37 HG1 THR 37 8.348 -1.406 1.700 284 HG21 THR 37 3HG2 THR 37 7.619 -0.017 5.504 285 HG22 THR 37 1HG2 THR 37 8.922 0.659 4.527 286 HG23 THR 37 2HG2 THR 37 9.080 -0.961 5.203 287 H LEU 38 H LEU 38 6.785 -3.141 6.146 288 HA LEU 38 HA LEU 38 4.078 -2.588 6.761 289 HG LEU 38 HG LEU 38 4.768 -2.140 10.033 290 HB2 LEU 38 1HB LEU 38 5.266 -4.327 7.962 291 HB3 LEU 38 2HB LEU 38 6.447 -3.180 8.568 292 HD11 LEU 38 1HD1 LEU 38 2.766 -2.337 8.652 293 HD12 LEU 38 2HD1 LEU 38 2.471 -3.025 10.245 294 HD13 LEU 38 3HD1 LEU 38 2.755 -4.088 8.868 295 HD21 LEU 38 3HD2 LEU 38 4.348 -4.000 11.585 296 HD22 LEU 38 1HD2 LEU 38 5.978 -4.093 10.918 297 HD23 LEU 38 2HD2 LEU 38 4.714 -5.167 10.311 298 H ILE 39 H ILE 39 3.323 -0.580 6.770 299 HA ILE 39 HA ILE 39 4.301 1.258 8.849 300 HB ILE 39 HB ILE 39 3.551 2.131 6.010 301 HG12 ILE 39 1HG1 ILE 39 6.166 2.558 7.541 302 HG13 ILE 39 2HG1 ILE 39 5.921 1.351 6.289 303 HG21 ILE 39 1HG2 ILE 39 4.098 3.919 8.418 304 HG22 ILE 39 2HG2 ILE 39 2.544 3.704 7.611 305 HG23 ILE 39 3HG2 ILE 39 3.876 4.475 6.757 306 HD11 ILE 39 3HD1 ILE 39 7.135 3.224 5.415 307 HD12 ILE 39 1HD1 ILE 39 5.874 4.342 5.936 308 HD13 ILE 39 2HD1 ILE 39 5.543 3.167 4.661 309 H SER 40 H SER 40 2.626 1.969 10.081 310 HA SER 40 HA SER 40 -0.063 1.040 9.561 311 HG SER 40 HG SER 40 1.594 1.233 12.732 312 HB2 SER 40 1HB SER 40 0.941 2.944 11.726 313 HB3 SER 40 2HB SER 40 -0.637 2.153 11.689 314 H VAL 41 H VAL 41 -1.648 2.143 8.512 315 HA VAL 41 HA VAL 41 -1.417 4.570 7.154 316 HB VAL 41 HB VAL 41 -3.201 2.952 6.655 317 HG11 VAL 41 1HG1 VAL 41 -3.703 2.160 8.915 318 HG12 VAL 41 2HG1 VAL 41 -5.188 2.663 8.105 319 HG13 VAL 41 3HG1 VAL 41 -4.450 3.707 9.323 320 HG21 VAL 41 3HG2 VAL 41 -5.126 4.501 6.344 321 HG22 VAL 41 1HG2 VAL 41 -3.597 5.276 5.925 322 HG23 VAL 41 2HG2 VAL 41 -4.384 5.650 7.459 323 H ASN 42 H ASN 42 -2.107 3.949 10.493 324 HA ASN 42 HA ASN 42 -3.193 6.370 11.419 325 HB2 ASN 42 1HB ASN 42 -1.341 4.478 12.935 326 HB3 ASN 42 2HB ASN 42 -2.500 5.600 13.644 327 HD21 ASN 42 2HD2 ASN 42 -2.266 2.663 13.908 328 HD22 ASN 42 1HD2 ASN 42 -3.800 2.027 13.435 329 H ASP 43 H ASP 43 0.124 5.392 10.762 330 HA ASP 43 HA ASP 43 1.295 7.806 11.968 331 HB2 ASP 43 1HB ASP 43 2.563 5.250 10.889 332 HB3 ASP 43 2HB ASP 43 3.499 6.633 11.443 333 H GLN 44 H GLN 44 0.609 9.353 10.459 334 HA GLN 44 HA GLN 44 1.314 9.390 7.714 335 HB2 GLN 44 1HB GLN 44 0.875 11.669 9.688 336 HB3 GLN 44 2HB GLN 44 1.231 11.944 7.986 337 HG2 GLN 44 1HG GLN 44 -1.107 12.169 8.200 338 HG3 GLN 44 2HG GLN 44 -0.842 10.618 7.428 339 HE21 GLN 44 2HE2 GLN 44 -1.358 8.709 8.582 340 HE22 GLN 44 1HE2 GLN 44 -2.326 8.748 10.010 341 H GLU 45 H GLU 45 3.006 10.325 10.661 342 HA GLU 45 HA GLU 45 5.252 11.608 9.629 343 HB2 GLU 45 1HB GLU 45 6.331 11.017 11.832 344 HB3 GLU 45 2HB GLU 45 4.739 11.752 11.977 345 HG2 GLU 45 1HG GLU 45 3.721 9.567 12.396 346 HG3 GLU 45 2HG GLU 45 5.275 8.771 12.174 347 H LYS 46 H LYS 46 4.755 8.143 10.222 348 HA LYS 46 HA LYS 46 7.440 7.333 9.575 349 HB2 LYS 46 1HB LYS 46 6.046 6.034 11.135 350 HB3 LYS 46 2HB LYS 46 4.858 5.743 9.879 351 HG2 LYS 46 1HG LYS 46 6.103 3.729 10.226 352 HG3 LYS 46 2HG LYS 46 6.542 4.366 8.647 353 HD2 LYS 46 1HD LYS 46 8.291 5.041 11.014 354 HD3 LYS 46 2HD LYS 46 8.375 3.417 10.341 355 HE2 LYS 46 1HE LYS 46 9.051 4.285 8.180 356 HE3 LYS 46 2HE LYS 46 8.830 5.948 8.728 357 HZ1 LYS 46 3HZ LYS 46 10.605 5.631 10.321 358 HZ2 LYS 46 1HZ LYS 46 11.157 5.285 8.760 359 HZ3 LYS 46 2HZ LYS 46 10.807 4.023 9.836 360 H LEU 47 H LEU 47 4.324 7.374 7.901 361 HA LEU 47 HA LEU 47 5.088 6.016 5.549 362 HG LEU 47 HG LEU 47 3.111 7.340 3.505 363 HB2 LEU 47 1HB LEU 47 2.746 6.530 6.418 364 HB3 LEU 47 2HB LEU 47 2.962 8.162 5.825 365 HD11 LEU 47 1HD1 LEU 47 2.685 4.966 2.958 366 HD12 LEU 47 2HD1 LEU 47 2.724 4.561 4.675 367 HD13 LEU 47 3HD1 LEU 47 4.176 5.166 3.875 368 HD21 LEU 47 3HD2 LEU 47 0.897 7.891 4.409 369 HD22 LEU 47 1HD2 LEU 47 0.699 6.231 4.987 370 HD23 LEU 47 2HD2 LEU 47 0.787 6.567 3.255 371 H ALA 48 H ALA 48 5.009 9.413 6.423 372 HA ALA 48 HA ALA 48 5.846 10.563 3.970 373 HB1 ALA 48 3HB ALA 48 5.993 11.680 6.791 374 HB2 ALA 48 1HB ALA 48 4.606 11.803 5.706 375 HB3 ALA 48 2HB ALA 48 6.119 12.613 5.295 376 H ASP 49 H ASP 49 7.551 9.346 6.815 377 HA ASP 49 HA ASP 49 10.135 10.362 6.300 378 HB2 ASP 49 1HB ASP 49 9.623 9.387 8.469 379 HB3 ASP 49 2HB ASP 49 9.225 7.835 7.741 380 H PHE 50 H PHE 50 8.653 7.224 5.497 381 HA PHE 50 HA PHE 50 10.759 6.045 4.088 382 HD1 PHE 50 HD1 PHE 50 10.598 3.263 4.146 383 HD2 PHE 50 HD2 PHE 50 7.632 4.733 1.429 384 HE1 PHE 50 HE1 PHE 50 11.135 1.451 2.567 385 HE2 PHE 50 HE2 PHE 50 8.177 2.917 -0.139 386 HZ PHE 50 HZ PHE 50 9.927 1.277 0.429 387 HB2 PHE 50 1HB PHE 50 8.725 4.839 4.888 388 HB3 PHE 50 2HB PHE 50 7.762 5.649 3.658 389 H LEU 51 H LEU 51 8.215 8.231 3.010 390 HA LEU 51 HA LEU 51 8.912 8.155 0.226 391 HG LEU 51 HG LEU 51 6.157 7.935 1.795 392 HB2 LEU 51 1HB LEU 51 7.234 10.151 1.777 393 HB3 LEU 51 2HB LEU 51 7.367 10.093 0.025 394 HD11 LEU 51 1HD1 LEU 51 4.716 9.890 1.565 395 HD12 LEU 51 2HD1 LEU 51 4.042 8.503 0.714 396 HD13 LEU 51 3HD1 LEU 51 4.836 9.792 -0.193 397 HD21 LEU 51 3HD2 LEU 51 6.438 7.960 -1.229 398 HD22 LEU 51 1HD2 LEU 51 5.520 6.779 -0.289 399 HD23 LEU 51 2HD2 LEU 51 7.269 6.879 -0.109 400 H SER 52 H SER 52 9.764 10.255 2.942 401 HA SER 52 HA SER 52 10.958 12.377 1.496 402 HG SER 52 HG SER 52 13.033 12.898 3.897 403 HB2 SER 52 1HB SER 52 10.212 12.648 3.833 404 HB3 SER 52 2HB SER 52 11.413 11.477 4.373 405 H GLN 53 H GLN 53 12.120 9.224 2.347 406 HA GLN 53 HA GLN 53 14.896 9.601 2.452 407 HB2 GLN 53 1HB GLN 53 13.353 7.148 1.517 408 HB3 GLN 53 2HB GLN 53 15.055 7.155 1.963 409 HG2 GLN 53 1HG GLN 53 12.716 7.719 3.799 410 HG3 GLN 53 2HG GLN 53 13.684 6.251 3.766 411 HE21 GLN 53 2HE2 GLN 53 13.160 8.190 5.952 412 HE22 GLN 53 1HE2 GLN 53 14.718 8.701 6.500 413 H HIS 54 H HIS 54 12.808 9.374 -0.375 414 HA HIS 54 HA HIS 54 15.086 9.967 -2.145 415 HD1 HIS 54 HD1 HIS 54 16.375 7.829 -4.423 416 HD2 HIS 54 HD2 HIS 54 15.132 6.262 -0.784 417 HE1 HIS 54 HE1 HIS 54 18.240 6.334 -3.652 418 HE2 HIS 54 HE2 HIS 54 17.533 5.566 -1.361 419 HB2 HIS 54 1HB HIS 54 13.227 7.588 -2.440 420 HB3 HIS 54 2HB HIS 54 13.888 8.327 -3.898 421 H LYS 55 H LYS 55 11.604 9.686 -1.812 422 HA LYS 55 HA LYS 55 9.816 10.832 -2.473 423 HB2 LYS 55 1HB LYS 55 11.831 12.952 -3.235 424 HB3 LYS 55 2HB LYS 55 10.110 13.161 -3.537 425 HG2 LYS 55 1HG LYS 55 9.681 12.877 -1.100 426 HG3 LYS 55 2HG LYS 55 11.423 12.775 -0.832 427 HD2 LYS 55 1HD LYS 55 10.545 15.043 -0.359 428 HD3 LYS 55 2HD LYS 55 11.725 15.057 -1.669 429 HE2 LYS 55 1HE LYS 55 9.814 15.090 -3.305 430 HE3 LYS 55 2HE LYS 55 8.704 15.232 -1.942 431 HZ1 LYS 55 3HZ LYS 55 10.839 17.177 -2.653 432 HZ2 LYS 55 1HZ LYS 55 9.784 17.311 -1.339 433 HZ3 LYS 55 2HZ LYS 55 9.179 17.379 -2.913 434 H ASP 56 H ASP 56 12.307 11.161 -5.013 435 HA ASP 56 HA ASP 56 10.410 10.696 -7.130 436 HB2 ASP 56 1HB ASP 56 12.454 12.196 -7.349 437 HB3 ASP 56 2HB ASP 56 13.457 10.754 -7.304 438 H LYS 57 H LYS 57 9.720 8.663 -6.036 439 HA LYS 57 HA LYS 57 10.708 6.465 -7.609 440 HB2 LYS 57 1HB LYS 57 11.124 4.870 -5.884 441 HB3 LYS 57 2HB LYS 57 12.057 6.290 -5.453 442 HG2 LYS 57 1HG LYS 57 9.373 5.594 -4.228 443 HG3 LYS 57 2HG LYS 57 10.927 5.132 -3.534 444 HD2 LYS 57 1HD LYS 57 11.539 7.481 -3.236 445 HD3 LYS 57 2HD LYS 57 10.057 8.004 -4.032 446 HE2 LYS 57 1HE LYS 57 9.937 8.181 -1.557 447 HE3 LYS 57 2HE LYS 57 8.707 7.110 -2.230 448 HZ1 LYS 57 3HZ LYS 57 11.258 6.194 -1.006 449 HZ2 LYS 57 1HZ LYS 57 9.998 5.211 -1.552 450 HZ3 LYS 57 2HZ LYS 57 9.763 6.223 -0.217 451 H LYS 58 H LYS 58 9.129 4.733 -7.677 452 HA LYS 58 HA LYS 58 6.403 5.777 -7.542 453 HB2 LYS 58 1HB LYS 58 7.431 4.769 -9.612 454 HB3 LYS 58 2HB LYS 58 7.411 3.205 -8.790 455 HG2 LYS 58 1HG LYS 58 5.057 3.098 -8.782 456 HG3 LYS 58 2HG LYS 58 4.879 4.829 -9.097 457 HD2 LYS 58 1HD LYS 58 4.357 3.429 -11.083 458 HD3 LYS 58 2HD LYS 58 5.679 4.567 -11.359 459 HE2 LYS 58 1HE LYS 58 7.322 2.759 -11.089 460 HE3 LYS 58 2HE LYS 58 6.030 1.615 -10.711 461 HZ1 LYS 58 3HZ LYS 58 6.262 3.065 -13.284 462 HZ2 LYS 58 1HZ LYS 58 5.197 1.807 -12.913 463 HZ3 LYS 58 2HZ LYS 58 6.855 1.505 -13.021 464 H VAL 59 H VAL 59 5.789 5.556 -5.383 465 HA VAL 59 HA VAL 59 5.911 2.876 -4.144 466 HB VAL 59 HB VAL 59 5.435 5.621 -2.891 467 HG11 VAL 59 1HG1 VAL 59 4.042 3.983 -1.698 468 HG12 VAL 59 2HG1 VAL 59 5.401 4.473 -0.690 469 HG13 VAL 59 3HG1 VAL 59 5.426 2.905 -1.504 470 HG21 VAL 59 3HG2 VAL 59 7.565 5.145 -1.716 471 HG22 VAL 59 1HG2 VAL 59 7.776 5.126 -3.466 472 HG23 VAL 59 2HG2 VAL 59 7.704 3.606 -2.572 473 H LEU 60 H LEU 60 4.178 1.716 -3.758 474 HA LEU 60 HA LEU 60 1.480 2.763 -4.424 475 HG LEU 60 HG LEU 60 0.645 -0.480 -6.287 476 HB2 LEU 60 1HB LEU 60 2.355 1.127 -6.050 477 HB3 LEU 60 2HB LEU 60 2.688 -0.022 -4.778 478 HD11 LEU 60 1HD1 LEU 60 1.035 -1.645 -4.133 479 HD12 LEU 60 2HD1 LEU 60 -0.661 -1.488 -4.565 480 HD13 LEU 60 3HD1 LEU 60 0.032 -0.432 -3.331 481 HD21 LEU 60 3HD2 LEU 60 -1.433 0.662 -5.811 482 HD22 LEU 60 1HD2 LEU 60 -0.218 1.813 -6.358 483 HD23 LEU 60 2HD2 LEU 60 -0.628 1.713 -4.644 484 H LEU 61 H LEU 61 0.257 2.982 -2.638 485 HA LEU 61 HA LEU 61 0.902 1.559 -0.140 486 HG LEU 61 HG LEU 61 0.963 4.752 -1.212 487 HB2 LEU 61 1HB LEU 61 -1.192 3.726 -0.594 488 HB3 LEU 61 2HB LEU 61 -0.527 3.200 0.941 489 HD11 LEU 61 1HD1 LEU 61 0.994 6.599 0.398 490 HD12 LEU 61 2HD1 LEU 61 0.046 5.636 1.534 491 HD13 LEU 61 3HD1 LEU 61 -0.660 6.132 -0.003 492 HD21 LEU 61 3HD2 LEU 61 2.513 3.246 -0.087 493 HD22 LEU 61 1HD2 LEU 61 1.956 3.813 1.492 494 HD23 LEU 61 2HD2 LEU 61 2.816 4.908 0.408 495 H HIS 62 H HIS 62 -0.001 -0.519 -0.217 496 HA HIS 62 HA HIS 62 -2.667 -0.866 -1.402 497 HD1 HIS 62 HD1 HIS 62 -2.629 -4.629 0.407 498 HD2 HIS 62 HD2 HIS 62 1.203 -3.066 0.244 499 HE1 HIS 62 HE1 HIS 62 -1.312 -5.901 2.115 500 HE2 HIS 62 HE2 HIS 62 0.928 -4.781 2.143 501 HB2 HIS 62 1HB HIS 62 -2.226 -3.149 -1.645 502 HB3 HIS 62 2HB HIS 62 -0.630 -2.449 -1.855 503 H CYS 63 H CYS 63 -4.489 -1.384 -0.313 504 HA CYS 63 HA CYS 63 -4.332 -1.670 2.662 505 HG CYS 63 HG CYS 63 -6.604 -0.576 4.317 506 HB2 CYS 63 1HB CYS 63 -5.356 0.438 2.105 507 HB3 CYS 63 2HB CYS 63 -6.422 -0.314 0.922 508 H ARG 64 H ARG 64 -5.918 -3.012 3.684 509 HA ARG 64 HA ARG 64 -6.531 -5.494 2.526 510 HE ARG 64 HE ARG 64 -10.046 -5.114 6.164 511 HB2 ARG 64 1HB ARG 64 -6.441 -5.088 4.972 512 HB3 ARG 64 2HB ARG 64 -7.918 -4.135 4.877 513 HG2 ARG 64 1HG ARG 64 -9.156 -6.146 4.127 514 HG3 ARG 64 2HG ARG 64 -7.670 -7.093 4.226 515 HD2 ARG 64 1HD ARG 64 -9.026 -7.478 6.199 516 HD3 ARG 64 2HD ARG 64 -7.560 -6.609 6.656 517 HH11 ARG 64 1HH1 ARG 64 -7.619 -6.168 8.473 518 HH12 ARG 64 2HH1 ARG 64 -8.152 -5.060 9.699 519 HH21 ARG 64 1HH2 ARG 64 -10.715 -3.684 7.779 520 HH22 ARG 64 2HH2 ARG 64 -9.903 -3.670 9.311 521 H ALA 65 H ALA 65 -8.622 -2.624 2.957 522 HA ALA 65 HA ALA 65 -10.671 -3.786 1.165 523 HB1 ALA 65 3HB ALA 65 -10.735 -1.227 2.811 524 HB2 ALA 65 1HB ALA 65 -11.455 -2.771 3.272 525 HB3 ALA 65 2HB ALA 65 -12.079 -1.891 1.876 526 H GLY 66 H GLY 66 -8.957 -0.685 1.564 527 HA2 GLY 66 1HA GLY 66 -7.766 0.000 -0.648 528 HA3 GLY 66 2HA GLY 66 -9.417 0.047 -1.253 529 H ARG 67 H ARG 67 -10.254 0.926 1.565 530 HA ARG 67 HA ARG 67 -10.344 3.701 1.030 531 HE ARG 67 HE ARG 67 -10.877 6.685 3.706 532 HB2 ARG 67 1HB ARG 67 -12.142 2.571 2.275 533 HB3 ARG 67 2HB ARG 67 -11.029 2.190 3.581 534 HG2 ARG 67 1HG ARG 67 -12.460 4.072 4.202 535 HG3 ARG 67 2HG ARG 67 -10.776 4.576 4.100 536 HD2 ARG 67 1HD ARG 67 -11.684 5.138 1.530 537 HD3 ARG 67 2HD ARG 67 -13.108 5.483 2.510 538 HH11 ARG 67 1HH1 ARG 67 -12.913 7.109 0.870 539 HH12 ARG 67 2HH1 ARG 67 -12.486 8.776 0.687 540 HH21 ARG 67 1HH2 ARG 67 -10.296 8.845 3.407 541 HH22 ARG 67 2HH2 ARG 67 -11.002 9.762 2.108 542 H ARG 68 H ARG 68 -8.488 1.827 3.504 543 HA ARG 68 HA ARG 68 -7.151 4.039 4.679 544 HE ARG 68 HE ARG 68 -8.908 0.996 8.036 545 HB2 ARG 68 1HB ARG 68 -6.028 1.209 4.446 546 HB3 ARG 68 2HB ARG 68 -5.520 2.452 5.588 547 HG2 ARG 68 1HG ARG 68 -8.243 1.141 5.540 548 HG3 ARG 68 2HG ARG 68 -6.919 0.682 6.597 549 HD2 ARG 68 1HD ARG 68 -6.966 3.014 7.561 550 HD3 ARG 68 2HD ARG 68 -8.421 3.321 6.602 551 HH11 ARG 68 1HH1 ARG 68 -8.249 4.350 8.893 552 HH12 ARG 68 2HH1 ARG 68 -9.174 4.274 10.355 553 HH21 ARG 68 1HH2 ARG 68 -10.108 0.924 9.960 554 HH22 ARG 68 2HH2 ARG 68 -10.244 2.345 10.946 555 H ALA 69 H ALA 69 -6.515 2.216 1.775 556 HA ALA 69 HA ALA 69 -3.868 3.010 1.190 557 HB1 ALA 69 3HB ALA 69 -4.395 2.363 -1.131 558 HB2 ALA 69 1HB ALA 69 -6.118 2.318 -0.740 559 HB3 ALA 69 2HB ALA 69 -5.010 1.169 0.008 560 H LEU 70 H LEU 70 -7.008 4.302 0.094 561 HA LEU 70 HA LEU 70 -6.108 6.609 -1.202 562 HG LEU 70 HG LEU 70 -8.704 8.485 -0.160 563 HB2 LEU 70 1HB LEU 70 -8.376 5.750 -1.462 564 HB3 LEU 70 2HB LEU 70 -8.736 6.067 0.227 565 HD11 LEU 70 1HD1 LEU 70 -8.387 9.482 -2.389 566 HD12 LEU 70 2HD1 LEU 70 -7.970 7.898 -3.045 567 HD13 LEU 70 3HD1 LEU 70 -6.930 8.656 -1.838 568 HD21 LEU 70 3HD2 LEU 70 -10.827 7.316 -0.606 569 HD22 LEU 70 1HD2 LEU 70 -10.363 7.092 -2.298 570 HD23 LEU 70 2HD2 LEU 70 -10.641 8.715 -1.659 571 H ASP 71 H ASP 71 -7.328 6.276 2.146 572 HA ASP 71 HA ASP 71 -7.049 8.787 3.184 573 HB2 ASP 71 1HB ASP 71 -6.663 6.045 4.432 574 HB3 ASP 71 2HB ASP 71 -6.520 7.487 5.412 575 H ALA 72 H ALA 72 -4.563 6.281 3.177 576 HA ALA 72 HA ALA 72 -2.491 7.661 4.459 577 HB1 ALA 72 3HB ALA 72 -2.378 5.377 2.463 578 HB2 ALA 72 1HB ALA 72 -2.550 5.227 4.215 579 HB3 ALA 72 2HB ALA 72 -1.062 5.870 3.527 580 H ALA 73 H ALA 73 -3.184 7.179 0.999 581 HA ALA 73 HA ALA 73 -0.959 8.562 -0.041 582 HB1 ALA 73 3HB ALA 73 -2.251 6.930 -1.350 583 HB2 ALA 73 1HB ALA 73 -2.150 8.481 -2.186 584 HB3 ALA 73 2HB ALA 73 -3.640 8.018 -1.358 585 H LYS 74 H LYS 74 -4.198 9.675 0.917 586 HA LYS 74 HA LYS 74 -4.124 12.229 -0.326 587 HB2 LYS 74 1HB LYS 74 -5.678 11.444 2.174 588 HB3 LYS 74 2HB LYS 74 -5.949 12.888 1.199 589 HG2 LYS 74 1HG LYS 74 -6.458 11.316 -0.755 590 HG3 LYS 74 2HG LYS 74 -6.456 10.012 0.426 591 HD2 LYS 74 1HD LYS 74 -8.738 10.614 0.152 592 HD3 LYS 74 2HD LYS 74 -8.254 11.312 1.700 593 HE2 LYS 74 1HE LYS 74 -7.949 13.510 0.591 594 HE3 LYS 74 2HE LYS 74 -8.432 12.784 -0.950 595 HZ1 LYS 74 3HZ LYS 74 -10.600 12.375 -0.086 596 HZ2 LYS 74 1HZ LYS 74 -10.228 13.998 0.182 597 HZ3 LYS 74 2HZ LYS 74 -10.163 12.897 1.461 598 H SER 75 H SER 75 -3.504 11.209 2.995 599 HA SER 75 HA SER 75 -2.691 13.565 4.157 600 HG SER 75 HG SER 75 -3.740 10.578 5.108 601 HB2 SER 75 1HB SER 75 -1.649 10.749 4.698 602 HB3 SER 75 2HB SER 75 -1.522 12.119 5.806 603 H MET 76 H MET 76 -0.801 11.356 2.129 604 HA MET 76 HA MET 76 1.746 12.648 2.552 605 HB2 MET 76 1HB MET 76 0.871 10.671 0.412 606 HB3 MET 76 2HB MET 76 2.535 11.160 0.726 607 HG2 MET 76 1HG MET 76 0.735 9.641 2.620 608 HG3 MET 76 2HG MET 76 2.088 8.990 1.701 609 HE1 MET 76 3HE MET 76 1.046 11.427 4.649 610 HE2 MET 76 1HE MET 76 2.298 10.938 5.790 611 HE3 MET 76 2HE MET 76 1.160 9.744 5.169 612 H HIS 77 H HIS 77 -0.667 12.710 -0.097 613 HA HIS 77 HA HIS 77 0.714 14.490 -1.814 614 HD1 HIS 77 HD1 HIS 77 -1.415 14.180 -4.995 615 HD2 HIS 77 HD2 HIS 77 -0.434 11.197 -2.268 616 HE1 HIS 77 HE1 HIS 77 -0.906 12.137 -6.370 617 HE2 HIS 77 HE2 HIS 77 -0.275 10.369 -4.695 618 HB2 HIS 77 1HB HIS 77 -2.181 13.663 -1.599 619 HB3 HIS 77 2HB HIS 77 -1.732 14.963 -2.687 620 H GLU 78 H GLU 78 -1.234 15.049 1.026 621 HA GLU 78 HA GLU 78 -1.619 17.852 0.767 622 HB2 GLU 78 1HB GLU 78 -1.523 16.109 3.268 623 HB3 GLU 78 2HB GLU 78 -2.127 17.762 3.221 624 HG2 GLU 78 1HG GLU 78 -3.324 15.481 1.631 625 HG3 GLU 78 2HG GLU 78 -3.895 15.953 3.214 626 H LEU 79 H LEU 79 0.965 15.841 2.087 627 HA LEU 79 HA LEU 79 2.516 17.986 3.223 628 HG LEU 79 HG LEU 79 1.505 15.155 4.196 629 HB2 LEU 79 1HB LEU 79 3.344 15.143 2.539 630 HB3 LEU 79 2HB LEU 79 4.255 16.256 3.553 631 HD11 LEU 79 1HD1 LEU 79 4.163 14.402 5.414 632 HD12 LEU 79 2HD1 LEU 79 3.190 13.402 4.333 633 HD13 LEU 79 3HD1 LEU 79 2.576 13.821 5.930 634 HD21 LEU 79 3HD2 LEU 79 1.808 16.141 6.431 635 HD22 LEU 79 1HD2 LEU 79 1.795 17.376 5.173 636 HD23 LEU 79 2HD2 LEU 79 3.322 16.877 5.905 637 H GLY 80 H GLY 80 2.306 16.454 0.092 638 HA2 GLY 80 1HA GLY 80 3.038 17.932 -1.765 639 HA3 GLY 80 2HA GLY 80 4.568 18.115 -0.923 640 H TYR 81 H TYR 81 3.750 14.962 -0.402 641 HA TYR 81 HA TYR 81 5.477 13.923 -2.509 642 HD1 TYR 81 HD2 TYR 81 7.481 12.999 -0.995 643 HD2 TYR 81 HD1 TYR 81 4.161 13.065 1.707 644 HE1 TYR 81 HE2 TYR 81 8.986 13.586 0.852 645 HE2 TYR 81 HE1 TYR 81 5.679 13.668 3.542 646 HH TYR 81 HH TYR 81 8.815 14.753 3.042 647 HB2 TYR 81 1HB TYR 81 3.793 12.353 -0.511 648 HB3 TYR 81 2HB TYR 81 5.159 11.747 -1.442 649 H THR 82 H THR 82 4.673 11.979 -3.852 650 HA THR 82 HA THR 82 1.798 12.108 -4.533 651 HB THR 82 HB THR 82 2.525 11.936 -7.038 652 HG1 THR 82 HG1 THR 82 4.578 12.731 -7.528 653 HG21 THR 82 3HG2 THR 82 1.449 13.975 -6.135 654 HG22 THR 82 1HG2 THR 82 2.687 14.378 -7.329 655 HG23 THR 82 2HG2 THR 82 3.025 14.574 -5.611 656 HA PRO 83 HA PRO 83 3.211 7.598 -4.531 657 HB2 PRO 83 1HB PRO 83 1.920 6.695 -2.315 658 HB3 PRO 83 2HB PRO 83 3.534 7.417 -2.211 659 HG2 PRO 83 1HG PRO 83 0.848 8.712 -1.694 660 HG3 PRO 83 2HG PRO 83 2.325 8.774 -0.709 661 HD2 PRO 83 1HD PRO 83 1.645 10.781 -2.406 662 HD3 PRO 83 2HD PRO 83 3.335 10.358 -2.071 663 H TYR 84 H TYR 84 1.878 5.980 -5.293 664 HA TYR 84 HA TYR 84 -0.914 6.552 -5.973 665 HD1 TYR 84 HD2 TYR 84 2.808 5.429 -7.276 666 HD2 TYR 84 HD1 TYR 84 -1.017 6.017 -9.104 667 HE1 TYR 84 HE2 TYR 84 3.870 6.673 -9.112 668 HE2 TYR 84 HE1 TYR 84 0.046 7.256 -10.933 669 HH TYR 84 HH TYR 84 3.453 7.287 -11.398 670 HB2 TYR 84 1HB TYR 84 0.811 4.088 -6.566 671 HB3 TYR 84 2HB TYR 84 -0.777 4.429 -7.255 672 H TYR 85 H TYR 85 -2.396 4.480 -5.660 673 HA TYR 85 HA TYR 85 -1.904 3.079 -3.148 674 HD1 TYR 85 HD1 TYR 85 -3.654 6.783 -4.340 675 HD2 TYR 85 HD2 TYR 85 -6.151 3.609 -2.916 676 HE1 TYR 85 HE1 TYR 85 -5.611 7.818 -5.407 677 HE2 TYR 85 HE2 TYR 85 -8.085 4.655 -3.987 678 HH TYR 85 HH TYR 85 -7.857 7.033 -6.265 679 HB2 TYR 85 1HB TYR 85 -3.904 3.863 -2.028 680 HB3 TYR 85 2HB TYR 85 -2.919 5.247 -2.455 681 H LEU 86 H LEU 86 -3.381 1.326 -2.788 682 HA LEU 86 HA LEU 86 -4.466 0.262 -5.322 683 HG LEU 86 HG LEU 86 -2.784 -3.063 -4.803 684 HB2 LEU 86 1HB LEU 86 -2.362 -0.773 -4.485 685 HB3 LEU 86 2HB LEU 86 -3.189 -1.276 -3.035 686 HD11 LEU 86 1HD1 LEU 86 -4.423 -3.461 -3.039 687 HD12 LEU 86 2HD1 LEU 86 -4.897 -4.218 -4.556 688 HD13 LEU 86 3HD1 LEU 86 -5.682 -2.726 -4.034 689 HD21 LEU 86 3HD2 LEU 86 -4.232 -3.196 -6.742 690 HD22 LEU 86 1HD2 LEU 86 -3.271 -1.721 -6.786 691 HD23 LEU 86 2HD2 LEU 86 -4.975 -1.651 -6.326 692 H GLU 87 H GLU 87 -6.579 0.240 -5.244 693 HA GLU 87 HA GLU 87 -8.093 -0.484 -2.826 694 HB2 GLU 87 1HB GLU 87 -8.997 0.479 -5.574 695 HB3 GLU 87 2HB GLU 87 -10.090 0.068 -4.253 696 HG2 GLU 87 1HG GLU 87 -9.107 1.875 -2.880 697 HG3 GLU 87 2HG GLU 87 -8.021 2.288 -4.201 698 H GLY 88 H GLY 88 -7.985 -2.609 -2.517 699 HA2 GLY 88 1HA GLY 88 -9.287 -4.509 -4.121 700 HA3 GLY 88 2HA GLY 88 -7.557 -4.622 -4.448 701 H ASN 89 H ASN 89 -9.415 -6.512 -3.102 702 HA ASN 89 HA ASN 89 -8.956 -6.475 -0.294 703 HB2 ASN 89 1HB ASN 89 -10.120 -8.503 -2.205 704 HB3 ASN 89 2HB ASN 89 -9.795 -8.961 -0.537 705 HD21 ASN 89 2HD2 ASN 89 -10.470 -6.567 0.768 706 HD22 ASN 89 1HD2 ASN 89 -12.171 -6.311 0.610 707 H VAL 90 H VAL 90 -7.356 -7.299 0.937 708 HA VAL 90 HA VAL 90 -4.840 -7.606 -0.306 709 HB VAL 90 HB VAL 90 -5.185 -6.540 1.940 710 HG11 VAL 90 1HG1 VAL 90 -6.679 -8.173 2.985 711 HG12 VAL 90 2HG1 VAL 90 -5.248 -7.906 3.981 712 HG13 VAL 90 3HG1 VAL 90 -5.385 -9.374 3.008 713 HG21 VAL 90 3HG2 VAL 90 -3.079 -8.725 1.845 714 HG22 VAL 90 1HG2 VAL 90 -3.064 -7.344 2.947 715 HG23 VAL 90 2HG2 VAL 90 -2.926 -7.088 1.207 716 H TYR 91 H TYR 91 -7.065 -9.996 0.986 717 HA TYR 91 HA TYR 91 -5.216 -12.205 0.989 718 HD1 TYR 91 HD2 TYR 91 -5.923 -13.494 3.623 719 HD2 TYR 91 HD1 TYR 91 -8.696 -10.434 2.565 720 HE1 TYR 91 HE2 TYR 91 -5.935 -12.682 5.946 721 HE2 TYR 91 HE1 TYR 91 -8.693 -9.612 4.868 722 HH TYR 91 HH TYR 91 -6.422 -10.569 7.165 723 HB2 TYR 91 1HB TYR 91 -8.274 -12.230 1.004 724 HB3 TYR 91 2HB TYR 91 -7.226 -13.585 1.438 725 H ASP 92 H ASP 92 -7.304 -10.684 -1.333 726 HA ASP 92 HA ASP 92 -7.480 -12.866 -3.213 727 HB2 ASP 92 1HB ASP 92 -8.333 -9.958 -3.328 728 HB3 ASP 92 2HB ASP 92 -8.506 -11.027 -4.714 729 H PHE 93 H PHE 93 -4.983 -10.668 -2.553 730 HA PHE 93 HA PHE 93 -3.954 -10.096 -5.117 731 HD1 PHE 93 HD2 PHE 93 -4.820 -8.392 -4.126 732 HD2 PHE 93 HD1 PHE 93 -1.434 -8.355 -1.540 733 HE1 PHE 93 HE2 PHE 93 -5.452 -6.162 -3.343 734 HE2 PHE 93 HE1 PHE 93 -2.070 -6.126 -0.761 735 HZ PHE 93 HZ PHE 93 -4.074 -5.016 -1.654 736 HB2 PHE 93 1HB PHE 93 -2.430 -10.538 -2.519 737 HB3 PHE 93 2HB PHE 93 -1.742 -9.815 -3.970 738 H GLU 94 H GLU 94 -3.579 -12.881 -2.999 739 HA GLU 94 HA GLU 94 -1.471 -14.174 -4.364 740 HB2 GLU 94 1HB GLU 94 -2.503 -14.465 -1.919 741 HB3 GLU 94 2HB GLU 94 -3.459 -15.724 -2.684 742 HG2 GLU 94 1HG GLU 94 -0.426 -15.617 -2.687 743 HG3 GLU 94 2HG GLU 94 -1.384 -16.515 -1.520 744 H LYS 95 H LYS 95 -5.022 -14.542 -4.572 745 HA LYS 95 HA LYS 95 -4.917 -16.638 -6.544 746 HB2 LYS 95 1HB LYS 95 -7.355 -16.360 -6.745 747 HB3 LYS 95 2HB LYS 95 -6.854 -16.496 -5.066 748 HG2 LYS 95 1HG LYS 95 -7.154 -14.132 -4.705 749 HG3 LYS 95 2HG LYS 95 -7.450 -13.850 -6.419 750 HD2 LYS 95 1HD LYS 95 -9.243 -15.508 -4.597 751 HD3 LYS 95 2HD LYS 95 -9.535 -13.826 -5.043 752 HE2 LYS 95 1HE LYS 95 -9.705 -14.485 -7.420 753 HE3 LYS 95 2HE LYS 95 -9.423 -16.171 -6.977 754 HZ1 LYS 95 3HZ LYS 95 -11.762 -15.763 -7.265 755 HZ2 LYS 95 1HZ LYS 95 -11.734 -14.500 -6.138 756 HZ3 LYS 95 2HZ LYS 95 -11.450 -16.090 -5.637 757 H TYR 96 H TYR 96 -4.847 -13.147 -6.709 758 HA TYR 96 HA TYR 96 -5.284 -13.056 -9.591 759 HD1 TYR 96 HD1 TYR 96 -7.174 -12.015 -7.074 760 HD2 TYR 96 HD2 TYR 96 -6.064 -9.542 -10.378 761 HE1 TYR 96 HE1 TYR 96 -9.516 -11.359 -7.368 762 HE2 TYR 96 HE2 TYR 96 -8.413 -8.879 -10.669 763 HH TYR 96 HH TYR 96 -10.770 -9.396 -8.347 764 HB2 TYR 96 1HB TYR 96 -4.700 -11.001 -7.465 765 HB3 TYR 96 2HB TYR 96 -4.351 -10.583 -9.137 766 H GLY 97 H GLY 97 -2.634 -13.877 -7.612 767 HA2 GLY 97 1HA GLY 97 -0.988 -15.206 -8.784 768 HA3 GLY 97 2HA GLY 97 -1.031 -14.070 -10.120 769 H PHE 98 H PHE 98 -1.015 -12.700 -6.989 770 HA PHE 98 HA PHE 98 1.826 -11.889 -7.223 771 HD1 PHE 98 HD1 PHE 98 1.769 -9.217 -8.185 772 HD2 PHE 98 HD2 PHE 98 -2.209 -10.217 -6.976 773 HE1 PHE 98 HE1 PHE 98 0.868 -7.994 -10.114 774 HE2 PHE 98 HE2 PHE 98 -3.098 -8.986 -8.905 775 HZ PHE 98 HZ PHE 98 -1.564 -7.872 -10.471 776 HB2 PHE 98 1HB PHE 98 -0.374 -10.655 -5.489 777 HB3 PHE 98 2HB PHE 98 1.223 -9.984 -5.819 778 H ARG 99 H ARG 99 3.134 -13.131 -5.970 779 HA ARG 99 HA ARG 99 2.185 -14.994 -4.078 780 HE ARG 99 HE ARG 99 5.609 -16.231 -2.014 781 HB2 ARG 99 1HB ARG 99 4.375 -15.764 -3.896 782 HB3 ARG 99 2HB ARG 99 4.385 -15.026 -5.482 783 HG2 ARG 99 1HG ARG 99 6.374 -14.219 -4.692 784 HG3 ARG 99 2HG ARG 99 5.322 -12.928 -4.120 785 HD2 ARG 99 1HD ARG 99 6.922 -13.653 -2.390 786 HD3 ARG 99 2HD ARG 99 5.266 -13.943 -1.885 787 HH11 ARG 99 1HH1 ARG 99 8.500 -14.596 -3.203 788 HH12 ARG 99 2HH1 ARG 99 9.453 -16.046 -3.207 789 HH21 ARG 99 1HH2 ARG 99 6.868 -18.096 -2.039 790 HH22 ARG 99 2HH2 ARG 99 8.533 -18.021 -2.521 791 H MET 100 H MET 100 2.236 -15.007 -1.846 792 HA MET 100 HA MET 100 2.748 -12.443 -0.462 793 HB2 MET 100 1HB MET 100 0.230 -14.105 0.002 794 HB3 MET 100 2HB MET 100 0.640 -12.569 0.751 795 HG2 MET 100 1HG MET 100 0.563 -11.576 -1.619 796 HG3 MET 100 2HG MET 100 -0.212 -13.086 -2.096 797 HE1 MET 100 3HE MET 100 -0.530 -10.959 1.228 798 HE2 MET 100 1HE MET 100 -1.945 -9.987 0.814 799 HE3 MET 100 2HE MET 100 -0.448 -9.795 -0.103 800 H VAL 101 H VAL 101 3.453 -12.625 1.589 801 HA VAL 101 HA VAL 101 4.456 -15.210 2.488 802 HB VAL 101 HB VAL 101 4.926 -12.426 3.659 803 HG11 VAL 101 1HG1 VAL 101 6.883 -13.456 4.778 804 HG12 VAL 101 2HG1 VAL 101 6.406 -15.034 4.148 805 HG13 VAL 101 3HG1 VAL 101 5.363 -14.190 5.293 806 HG21 VAL 101 3HG2 VAL 101 5.761 -12.520 1.349 807 HG22 VAL 101 1HG2 VAL 101 6.676 -13.986 1.715 808 HG23 VAL 101 2HG2 VAL 101 7.108 -12.456 2.487 809 H TYR 102 H TYR 102 2.958 -16.355 3.527 810 HA TYR 102 HA TYR 102 1.026 -15.138 5.376 811 HD1 TYR 102 HD2 TYR 102 -1.843 -16.032 4.846 812 HD2 TYR 102 HD1 TYR 102 1.010 -17.033 1.835 813 HE1 TYR 102 HE2 TYR 102 -3.377 -15.214 3.124 814 HE2 TYR 102 HE1 TYR 102 -0.529 -16.216 0.110 815 HH TYR 102 HH TYR 102 -2.961 -15.840 -0.166 816 HB2 TYR 102 1HB TYR 102 1.243 -17.921 4.151 817 HB3 TYR 102 2HB TYR 102 0.051 -17.513 5.377 818 H ASP 103 H ASP 103 1.256 -15.250 7.502 819 HA ASP 103 HA ASP 103 2.017 -15.585 9.578 820 HB2 ASP 103 1HB ASP 103 0.969 -17.877 9.100 821 HB3 ASP 103 2HB ASP 103 2.592 -18.472 8.781 822 H ASP 104 H ASP 104 3.720 -14.145 8.732 823 HA ASP 104 HA ASP 104 6.455 -15.252 8.653 824 HB2 ASP 104 1HB ASP 104 7.132 -12.873 8.220 825 HB3 ASP 104 2HB ASP 104 5.980 -13.497 7.048 826 H THR 105 H THR 105 4.269 -14.240 10.966 827 HA THR 105 HA THR 105 5.661 -12.787 12.864 828 HB THR 105 HB THR 105 3.236 -13.241 12.969 829 HG1 THR 105 HG1 THR 105 4.442 -12.612 14.857 830 HG21 THR 105 3HG2 THR 105 2.331 -15.323 13.902 831 HG22 THR 105 1HG2 THR 105 3.950 -16.032 13.936 832 HG23 THR 105 2HG2 THR 105 3.187 -15.640 12.394 833 H CYS 106 H CYS 106 5.690 -16.271 12.285 834 HA CYS 106 HA CYS 106 8.333 -16.513 13.456 835 HG CYS 106 HG CYS 106 8.000 -19.177 16.457 836 HB2 CYS 106 1HB CYS 106 6.875 -17.042 15.403 837 HB3 CYS 106 2HB CYS 106 6.012 -18.244 14.447 838 H ASP 107 H ASP 107 5.831 -18.903 12.595 839 HA ASP 107 HA ASP 107 6.358 -19.377 9.922 840 HB2 ASP 107 1HB ASP 107 8.656 -20.159 10.865 841 HB3 ASP 107 2HB ASP 107 7.790 -21.505 11.586 842 H LYS 108 H LYS 108 5.027 -21.184 9.161 843 HA LYS 108 HA LYS 108 2.710 -21.395 10.839 844 HB2 LYS 108 1HB LYS 108 2.660 -21.077 8.310 845 HB3 LYS 108 2HB LYS 108 3.124 -22.763 8.155 846 HG2 LYS 108 1HG LYS 108 0.766 -22.654 7.812 847 HG3 LYS 108 2HG LYS 108 1.003 -23.380 9.399 848 HD2 LYS 108 1HD LYS 108 0.536 -20.395 9.189 849 HD3 LYS 108 2HD LYS 108 -0.832 -21.489 9.030 850 HE2 LYS 108 1HE LYS 108 -0.479 -22.351 11.267 851 HE3 LYS 108 2HE LYS 108 1.025 -21.444 11.434 852 HZ1 LYS 108 3HZ LYS 108 -0.259 -19.390 11.264 853 HZ2 LYS 108 1HZ LYS 108 -0.764 -20.329 12.575 854 HZ3 LYS 108 2HZ LYS 108 -1.696 -20.273 11.166 855 H LYS 109 H LYS 109 5.197 -23.689 9.720 856 HA LYS 109 HA LYS 109 4.052 -25.783 11.428 857 HB2 LYS 109 1HB LYS 109 5.975 -27.208 10.605 858 HB3 LYS 109 2HB LYS 109 4.847 -26.674 9.377 859 HG2 LYS 109 1HG LYS 109 6.935 -26.542 8.357 860 HG3 LYS 109 2HG LYS 109 6.563 -24.874 8.790 861 HD2 LYS 109 1HD LYS 109 8.115 -24.924 10.635 862 HD3 LYS 109 2HD LYS 109 8.324 -26.673 10.497 863 HE2 LYS 109 1HE LYS 109 10.249 -25.438 9.568 864 HE3 LYS 109 2HE LYS 109 9.430 -26.399 8.342 865 HZ1 LYS 109 3HZ LYS 109 10.009 -24.230 7.496 866 HZ2 LYS 109 1HZ LYS 109 9.147 -23.469 8.736 867 HZ3 LYS 109 2HZ LYS 109 8.330 -24.381 7.574 868 H ASN 110 H ASN 110 5.290 -26.784 13.115 869 HA ASN 110 HA ASN 110 7.282 -25.148 14.491 870 HB2 ASN 110 1HB ASN 110 5.136 -24.111 15.159 871 HB3 ASN 110 2HB ASN 110 4.488 -25.672 15.640 872 HD21 ASN 110 2HD2 ASN 110 6.660 -23.080 16.500 873 HD22 ASN 110 1HD2 ASN 110 6.914 -23.570 18.138 Start of MODEL 12 1 HA MET 1 HA MET 1 -6.931 15.153 -7.320 2 H1 MET 1 1H MET 1 -5.909 16.926 -8.561 3 H2 MET 1 2H MET 1 -4.841 15.839 -9.293 4 H3 MET 1 3H MET 1 -4.771 16.101 -7.629 5 HB2 MET 1 1HB MET 1 -6.804 14.684 -10.338 6 HB3 MET 1 2HB MET 1 -8.008 13.966 -9.276 7 HG2 MET 1 1HG MET 1 -8.807 16.248 -8.695 8 HG3 MET 1 2HG MET 1 -7.663 16.917 -9.862 9 HE1 MET 1 3HE MET 1 -9.084 15.463 -13.254 10 HE2 MET 1 1HE MET 1 -7.823 14.740 -12.254 11 HE3 MET 1 2HE MET 1 -7.847 16.485 -12.526 12 H LEU 2 H LEU 2 -6.050 13.544 -6.064 13 HA LEU 2 HA LEU 2 -4.007 11.766 -7.152 14 HG LEU 2 HG LEU 2 -5.899 10.275 -4.437 15 HB2 LEU 2 1HB LEU 2 -3.485 11.119 -5.021 16 HB3 LEU 2 2HB LEU 2 -4.121 12.720 -4.705 17 HD11 LEU 2 1HD1 LEU 2 -4.112 11.359 -2.263 18 HD12 LEU 2 2HD1 LEU 2 -3.936 9.806 -3.085 19 HD13 LEU 2 3HD1 LEU 2 -5.349 10.112 -2.077 20 HD21 LEU 2 3HD2 LEU 2 -7.023 12.452 -4.449 21 HD22 LEU 2 1HD2 LEU 2 -6.012 12.993 -3.104 22 HD23 LEU 2 2HD2 LEU 2 -7.156 11.668 -2.876 23 H GLU 3 H GLU 3 -7.359 11.756 -7.042 24 HA GLU 3 HA GLU 3 -7.965 9.038 -6.693 25 HB2 GLU 3 1HB GLU 3 -10.107 9.580 -7.964 26 HB3 GLU 3 2HB GLU 3 -9.804 10.501 -6.507 27 HG2 GLU 3 1HG GLU 3 -8.850 11.782 -9.025 28 HG3 GLU 3 2HG GLU 3 -10.587 11.595 -8.878 29 H ASP 4 H ASP 4 -6.459 10.676 -9.297 30 HA ASP 4 HA ASP 4 -6.800 8.750 -11.377 31 HB2 ASP 4 1HB ASP 4 -5.997 11.123 -11.700 32 HB3 ASP 4 2HB ASP 4 -4.478 10.688 -10.920 33 H TYR 5 H TYR 5 -4.622 9.016 -8.619 34 HA TYR 5 HA TYR 5 -2.770 6.940 -9.361 35 HD1 TYR 5 HD2 TYR 5 -3.263 10.382 -8.556 36 HD2 TYR 5 HD1 TYR 5 0.169 8.090 -7.427 37 HE1 TYR 5 HE2 TYR 5 -1.797 12.206 -9.303 38 HE2 TYR 5 HE1 TYR 5 1.630 9.920 -8.178 39 HH TYR 5 HH TYR 5 1.478 11.861 -9.818 40 HB2 TYR 5 1HB TYR 5 -3.255 8.362 -6.710 41 HB3 TYR 5 2HB TYR 5 -1.962 7.200 -6.961 42 H ALA 6 H ALA 6 -5.941 6.645 -8.540 43 HA ALA 6 HA ALA 6 -5.951 4.423 -6.730 44 HB1 ALA 6 3HB ALA 6 -8.341 4.236 -7.317 45 HB2 ALA 6 1HB ALA 6 -8.113 5.367 -8.658 46 HB3 ALA 6 2HB ALA 6 -7.903 5.914 -6.995 47 H ILE 7 H ILE 7 -4.862 2.609 -7.368 48 HA ILE 7 HA ILE 7 -5.119 1.589 -10.128 49 HB ILE 7 HB ILE 7 -3.299 0.496 -7.929 50 HG12 ILE 7 1HG1 ILE 7 -2.651 2.620 -10.037 51 HG13 ILE 7 2HG1 ILE 7 -2.678 2.856 -8.295 52 HG21 ILE 7 1HG2 ILE 7 -2.041 -0.512 -9.808 53 HG22 ILE 7 2HG2 ILE 7 -3.186 0.176 -10.961 54 HG23 ILE 7 3HG2 ILE 7 -3.721 -1.052 -9.813 55 HD11 ILE 7 3HD1 ILE 7 -0.420 2.734 -8.936 56 HD12 ILE 7 1HD1 ILE 7 -0.689 1.296 -9.920 57 HD13 ILE 7 2HD1 ILE 7 -0.781 1.191 -8.165 58 H SER 8 H SER 8 -6.150 -0.339 -10.581 59 HA SER 8 HA SER 8 -7.741 -1.617 -8.480 60 HG SER 8 HG SER 8 -9.431 -0.852 -11.592 61 HB2 SER 8 1HB SER 8 -7.662 -2.152 -11.481 62 HB3 SER 8 2HB SER 8 -8.835 -2.818 -10.342 63 H LEU 9 H LEU 9 -7.667 -3.872 -8.052 64 HA LEU 9 HA LEU 9 -5.081 -4.997 -7.808 65 HG LEU 9 HG LEU 9 -6.371 -8.110 -7.575 66 HB2 LEU 9 1HB LEU 9 -6.805 -5.448 -6.168 67 HB3 LEU 9 2HB LEU 9 -7.852 -6.168 -7.379 68 HD11 LEU 9 1HD1 LEU 9 -4.198 -7.084 -7.239 69 HD12 LEU 9 2HD1 LEU 9 -4.412 -8.419 -6.110 70 HD13 LEU 9 3HD1 LEU 9 -4.577 -6.755 -5.546 71 HD21 LEU 9 3HD2 LEU 9 -8.114 -8.179 -5.844 72 HD22 LEU 9 1HD2 LEU 9 -6.987 -7.502 -4.663 73 HD23 LEU 9 2HD2 LEU 9 -6.696 -9.101 -5.355 74 H GLU 10 H GLU 10 -7.570 -5.403 -10.235 75 HA GLU 10 HA GLU 10 -6.646 -7.835 -11.406 76 HB2 GLU 10 1HB GLU 10 -8.187 -7.293 -13.250 77 HB3 GLU 10 2HB GLU 10 -8.954 -7.038 -11.688 78 HG2 GLU 10 1HG GLU 10 -8.644 -4.613 -11.882 79 HG3 GLU 10 2HG GLU 10 -7.770 -4.823 -13.397 80 H GLU 11 H GLU 11 -5.461 -4.600 -11.675 81 HA GLU 11 HA GLU 11 -4.059 -5.142 -14.248 82 HB2 GLU 11 1HB GLU 11 -4.243 -2.703 -14.696 83 HB3 GLU 11 2HB GLU 11 -5.822 -3.461 -14.516 84 HG2 GLU 11 1HG GLU 11 -5.885 -2.650 -12.143 85 HG3 GLU 11 2HG GLU 11 -4.377 -1.792 -12.447 86 H VAL 12 H VAL 12 -3.617 -4.490 -10.938 87 HA VAL 12 HA VAL 12 -1.404 -2.712 -10.995 88 HB VAL 12 HB VAL 12 -2.890 -3.057 -9.022 89 HG11 VAL 12 1HG1 VAL 12 -1.398 -5.667 -8.597 90 HG12 VAL 12 2HG1 VAL 12 -3.097 -5.493 -9.039 91 HG13 VAL 12 3HG1 VAL 12 -2.536 -4.923 -7.469 92 HG21 VAL 12 3HG2 VAL 12 -1.135 -2.864 -7.285 93 HG22 VAL 12 1HG2 VAL 12 -0.768 -1.897 -8.713 94 HG23 VAL 12 2HG2 VAL 12 0.072 -3.426 -8.444 95 H ASN 13 H ASN 13 0.820 -3.103 -10.751 96 HA ASN 13 HA ASN 13 1.813 -5.907 -10.812 97 HB2 ASN 13 1HB ASN 13 2.962 -3.443 -12.205 98 HB3 ASN 13 2HB ASN 13 3.916 -4.889 -11.919 99 HD21 ASN 13 2HD2 ASN 13 0.506 -4.702 -13.039 100 HD22 ASN 13 1HD2 ASN 13 0.808 -5.462 -14.548 101 H PHE 14 H PHE 14 1.970 -6.007 -8.542 102 HA PHE 14 HA PHE 14 2.900 -3.984 -6.825 103 HD1 PHE 14 HD1 PHE 14 1.403 -3.852 -5.087 104 HD2 PHE 14 HD2 PHE 14 0.774 -7.917 -6.211 105 HE1 PHE 14 HE1 PHE 14 -0.958 -3.670 -4.441 106 HE2 PHE 14 HE2 PHE 14 -1.591 -7.728 -5.566 107 HZ PHE 14 HZ PHE 14 -2.461 -5.606 -4.680 108 HB2 PHE 14 1HB PHE 14 2.940 -7.006 -6.443 109 HB3 PHE 14 2HB PHE 14 3.326 -5.863 -5.161 110 H ASN 15 H ASN 15 4.636 -6.545 -8.488 111 HA ASN 15 HA ASN 15 7.211 -6.257 -7.397 112 HB2 ASN 15 1HB ASN 15 7.970 -7.484 -9.433 113 HB3 ASN 15 2HB ASN 15 6.554 -8.225 -8.697 114 HD21 ASN 15 2HD2 ASN 15 7.790 -6.609 -11.502 115 HD22 ASN 15 1HD2 ASN 15 6.375 -6.777 -12.477 116 H ASP 16 H ASP 16 5.526 -4.217 -9.633 117 HA ASP 16 HA ASP 16 7.859 -3.024 -10.872 118 HB2 ASP 16 1HB ASP 16 5.585 -3.295 -12.015 119 HB3 ASP 16 2HB ASP 16 4.975 -2.035 -10.960 120 H PHE 17 H PHE 17 5.644 -2.223 -8.183 121 HA PHE 17 HA PHE 17 6.934 0.456 -7.883 122 HD1 PHE 17 HD2 PHE 17 5.049 1.535 -9.664 123 HD2 PHE 17 HD1 PHE 17 2.568 -1.215 -7.562 124 HE1 PHE 17 HE2 PHE 17 3.593 1.355 -11.624 125 HE2 PHE 17 HE1 PHE 17 1.106 -1.397 -9.532 126 HZ PHE 17 HZ PHE 17 1.618 -0.118 -11.573 127 HB2 PHE 17 1HB PHE 17 4.369 -0.204 -6.420 128 HB3 PHE 17 2HB PHE 17 4.945 1.341 -7.006 129 H ILE 18 H ILE 18 7.680 1.080 -5.766 130 HA ILE 18 HA ILE 18 8.331 -0.994 -3.866 131 HB ILE 18 HB ILE 18 8.352 2.033 -3.385 132 HG12 ILE 18 1HG1 ILE 18 10.655 0.294 -4.412 133 HG13 ILE 18 2HG1 ILE 18 9.761 1.465 -5.373 134 HG21 ILE 18 1HG2 ILE 18 9.851 -0.204 -1.957 135 HG22 ILE 18 2HG2 ILE 18 8.476 0.697 -1.317 136 HG23 ILE 18 3HG2 ILE 18 10.007 1.520 -1.610 137 HD11 ILE 18 3HD1 ILE 18 11.518 2.093 -3.002 138 HD12 ILE 18 1HD1 ILE 18 10.616 3.274 -3.958 139 HD13 ILE 18 2HD1 ILE 18 11.911 2.338 -4.702 140 H VAL 19 H VAL 19 6.597 -1.975 -2.857 141 HA VAL 19 HA VAL 19 4.104 -0.461 -2.499 142 HB VAL 19 HB VAL 19 4.655 -3.453 -2.138 143 HG11 VAL 19 1HG1 VAL 19 1.978 -2.009 -2.269 144 HG12 VAL 19 2HG1 VAL 19 2.676 -2.784 -0.845 145 HG13 VAL 19 3HG1 VAL 19 2.201 -3.764 -2.233 146 HG21 VAL 19 3HG2 VAL 19 4.987 -2.769 -4.465 147 HG22 VAL 19 1HG2 VAL 19 3.408 -1.979 -4.491 148 HG23 VAL 19 2HG2 VAL 19 3.519 -3.735 -4.328 149 H VAL 20 H VAL 20 2.996 -0.433 -0.504 150 HA VAL 20 HA VAL 20 4.509 -0.981 1.958 151 HB VAL 20 HB VAL 20 2.964 1.586 1.341 152 HG11 VAL 20 1HG1 VAL 20 3.529 2.343 3.621 153 HG12 VAL 20 2HG1 VAL 20 4.251 0.772 3.974 154 HG13 VAL 20 3HG1 VAL 20 2.521 0.896 3.655 155 HG21 VAL 20 3HG2 VAL 20 5.100 2.754 1.709 156 HG22 VAL 20 1HG2 VAL 20 5.241 1.582 0.400 157 HG23 VAL 20 2HG2 VAL 20 5.915 1.214 1.989 158 H ASP 21 H ASP 21 3.331 -2.247 3.243 159 HA ASP 21 HA ASP 21 0.471 -2.641 2.974 160 HB2 ASP 21 1HB ASP 21 2.214 -4.407 3.711 161 HB3 ASP 21 2HB ASP 21 2.370 -3.526 5.229 162 H VAL 22 H VAL 22 -0.659 -0.706 3.490 163 HA VAL 22 HA VAL 22 0.108 0.816 5.897 164 HB VAL 22 HB VAL 22 -1.677 2.491 5.150 165 HG11 VAL 22 1HG1 VAL 22 0.586 1.949 3.187 166 HG12 VAL 22 2HG1 VAL 22 0.710 2.863 4.691 167 HG13 VAL 22 3HG1 VAL 22 -0.277 3.479 3.367 168 HG21 VAL 22 3HG2 VAL 22 -2.509 2.406 2.829 169 HG22 VAL 22 1HG2 VAL 22 -3.046 0.982 3.729 170 HG23 VAL 22 2HG2 VAL 22 -1.712 0.850 2.577 171 H ARG 23 H ARG 23 -0.482 -0.785 7.385 172 HA ARG 23 HA ARG 23 -3.319 -0.849 8.085 173 HE ARG 23 HE ARG 23 -1.979 -4.922 5.328 174 HB2 ARG 23 1HB ARG 23 -1.822 -3.440 7.454 175 HB3 ARG 23 2HB ARG 23 -3.381 -3.353 8.245 176 HG2 ARG 23 1HG ARG 23 -4.295 -2.240 6.165 177 HG3 ARG 23 2HG ARG 23 -2.752 -2.569 5.376 178 HD2 ARG 23 1HD ARG 23 -4.609 -4.675 6.544 179 HD3 ARG 23 2HD ARG 23 -4.516 -4.235 4.839 180 HH11 ARG 23 1HH1 ARG 23 -4.904 -6.629 6.339 181 HH12 ARG 23 2HH1 ARG 23 -4.197 -8.195 6.117 182 HH21 ARG 23 1HH2 ARG 23 -1.124 -6.958 4.984 183 HH22 ARG 23 2HH2 ARG 23 -2.048 -8.382 5.351 184 H GLU 24 H GLU 24 -0.766 -3.124 9.112 185 HA GLU 24 HA GLU 24 -0.161 -1.960 11.623 186 HB2 GLU 24 1HB GLU 24 -2.787 -2.845 11.631 187 HB3 GLU 24 2HB GLU 24 -1.994 -4.312 12.156 188 HG2 GLU 24 1HG GLU 24 -1.787 -1.617 13.537 189 HG3 GLU 24 2HG GLU 24 -2.869 -2.914 14.019 190 H LEU 25 H LEU 25 1.170 -3.460 12.938 191 HA LEU 25 HA LEU 25 2.767 -5.362 11.704 192 HG LEU 25 HG LEU 25 2.879 -7.363 14.332 193 HB2 LEU 25 1HB LEU 25 3.387 -4.397 13.840 194 HB3 LEU 25 2HB LEU 25 1.950 -5.042 14.615 195 HD11 LEU 25 1HD1 LEU 25 5.407 -5.983 13.383 196 HD12 LEU 25 2HD1 LEU 25 4.344 -6.996 12.403 197 HD13 LEU 25 3HD1 LEU 25 5.231 -7.702 13.750 198 HD21 LEU 25 3HD2 LEU 25 4.691 -5.474 15.871 199 HD22 LEU 25 1HD2 LEU 25 4.540 -7.215 16.126 200 HD23 LEU 25 2HD2 LEU 25 3.172 -6.157 16.456 201 H ASP 26 H ASP 26 -0.166 -5.903 13.669 202 HA ASP 26 HA ASP 26 -0.257 -8.695 13.619 203 HB2 ASP 26 1HB ASP 26 -1.626 -7.239 15.110 204 HB3 ASP 26 2HB ASP 26 -2.586 -6.725 13.731 205 H GLU 27 H GLU 27 -1.618 -6.337 11.364 206 HA GLU 27 HA GLU 27 -2.993 -8.217 9.693 207 HB2 GLU 27 1HB GLU 27 -2.260 -5.298 9.220 208 HB3 GLU 27 2HB GLU 27 -3.357 -6.236 8.212 209 HG2 GLU 27 1HG GLU 27 -4.826 -6.567 10.214 210 HG3 GLU 27 2HG GLU 27 -3.766 -5.513 11.131 211 H TYR 28 H TYR 28 0.187 -6.747 9.669 212 HA TYR 28 HA TYR 28 1.134 -7.561 7.133 213 HD1 TYR 28 HD1 TYR 28 4.241 -8.661 9.859 214 HD2 TYR 28 HD2 TYR 28 3.917 -6.014 6.516 215 HE1 TYR 28 HE1 TYR 28 6.531 -9.215 9.195 216 HE2 TYR 28 HE2 TYR 28 6.215 -6.585 5.852 217 HH TYR 28 HH TYR 28 7.901 -9.221 7.174 218 HB2 TYR 28 1HB TYR 28 2.301 -5.882 8.378 219 HB3 TYR 28 2HB TYR 28 2.464 -6.918 9.778 220 H GLU 29 H GLU 29 0.953 -9.193 10.265 221 HA GLU 29 HA GLU 29 2.796 -11.304 9.626 222 HB2 GLU 29 1HB GLU 29 0.914 -10.937 11.989 223 HB3 GLU 29 2HB GLU 29 2.128 -12.211 11.877 224 HG2 GLU 29 1HG GLU 29 3.914 -10.523 11.773 225 HG3 GLU 29 2HG GLU 29 2.722 -9.237 11.858 226 H GLU 30 H GLU 30 -0.770 -11.187 9.993 227 HA GLU 30 HA GLU 30 -1.380 -13.867 9.527 228 HB2 GLU 30 1HB GLU 30 -3.609 -13.019 8.577 229 HB3 GLU 30 2HB GLU 30 -3.205 -12.478 10.197 230 HG2 GLU 30 1HG GLU 30 -2.702 -10.282 9.467 231 HG3 GLU 30 2HG GLU 30 -2.619 -10.775 7.780 232 H LEU 31 H LEU 31 -1.060 -11.278 7.085 233 HA LEU 31 HA LEU 31 0.295 -12.877 5.199 234 HG LEU 31 HG LEU 31 -2.534 -11.075 3.458 235 HB2 LEU 31 1HB LEU 31 -1.233 -13.221 3.436 236 HB3 LEU 31 2HB LEU 31 -2.104 -13.747 4.862 237 HD11 LEU 31 1HD1 LEU 31 -4.627 -12.013 2.607 238 HD12 LEU 31 2HD1 LEU 31 -4.241 -13.579 3.325 239 HD13 LEU 31 3HD1 LEU 31 -3.238 -12.929 2.026 240 HD21 LEU 31 3HD2 LEU 31 -4.563 -10.876 4.811 241 HD22 LEU 31 1HD2 LEU 31 -3.128 -10.960 5.830 242 HD23 LEU 31 2HD2 LEU 31 -4.168 -12.375 5.656 243 H HIS 32 H HIS 32 1.163 -11.586 3.529 244 HA HIS 32 HA HIS 32 0.190 -8.957 2.907 245 HD1 HIS 32 HD1 HIS 32 2.990 -10.903 5.423 246 HD2 HIS 32 HD2 HIS 32 4.666 -7.607 3.534 247 HE1 HIS 32 HE1 HIS 32 5.469 -11.317 5.356 248 HE2 HIS 32 HE2 HIS 32 6.454 -9.202 4.466 249 HB2 HIS 32 1HB HIS 32 1.980 -7.588 3.787 250 HB3 HIS 32 2HB HIS 32 1.417 -8.580 5.133 251 H LEU 33 H LEU 33 1.884 -7.841 1.437 252 HA LEU 33 HA LEU 33 2.765 -9.744 -0.575 253 HG LEU 33 HG LEU 33 0.536 -7.946 -0.743 254 HB2 LEU 33 1HB LEU 33 2.773 -6.716 -0.409 255 HB3 LEU 33 2HB LEU 33 3.341 -7.596 -1.819 256 HD11 LEU 33 1HD1 LEU 33 1.441 -5.942 -2.824 257 HD12 LEU 33 2HD1 LEU 33 0.808 -5.576 -1.217 258 HD13 LEU 33 3HD1 LEU 33 -0.236 -6.325 -2.420 259 HD21 LEU 33 3HD2 LEU 33 0.042 -8.764 -3.007 260 HD22 LEU 33 1HD2 LEU 33 1.325 -9.715 -2.262 261 HD23 LEU 33 2HD2 LEU 33 1.719 -8.505 -3.487 262 HA PRO 34 HA PRO 34 7.087 -9.659 0.716 263 HB2 PRO 34 1HB PRO 34 8.291 -10.637 -1.515 264 HB3 PRO 34 2HB PRO 34 7.224 -11.651 -0.533 265 HG2 PRO 34 1HG PRO 34 6.582 -10.145 -3.074 266 HG3 PRO 34 2HG PRO 34 6.217 -11.840 -2.672 267 HD2 PRO 34 1HD PRO 34 4.382 -9.833 -2.405 268 HD3 PRO 34 2HD PRO 34 4.388 -11.249 -1.334 269 H ASN 35 H ASN 35 5.708 -7.632 -1.619 270 HA ASN 35 HA ASN 35 8.081 -5.961 -2.111 271 HB2 ASN 35 1HB ASN 35 5.233 -5.585 -3.158 272 HB3 ASN 35 2HB ASN 35 6.705 -4.841 -3.781 273 HD21 ASN 35 2HD2 ASN 35 8.234 -6.225 -4.822 274 HD22 ASN 35 1HD2 ASN 35 7.711 -7.665 -5.618 275 H ALA 36 H ALA 36 5.691 -6.281 0.180 276 HA ALA 36 HA ALA 36 4.908 -3.476 0.452 277 HB1 ALA 36 3HB ALA 36 3.153 -5.185 0.522 278 HB2 ALA 36 1HB ALA 36 3.220 -4.291 2.042 279 HB3 ALA 36 2HB ALA 36 3.903 -5.918 1.939 280 H THR 37 H THR 37 5.841 -2.131 1.814 281 HA THR 37 HA THR 37 7.621 -2.913 3.966 282 HB THR 37 HB THR 37 6.642 -0.161 3.052 283 HG1 THR 37 HG1 THR 37 7.919 -1.478 1.532 284 HG21 THR 37 3HG2 THR 37 8.599 0.744 4.264 285 HG22 THR 37 1HG2 THR 37 8.995 -0.867 4.855 286 HG23 THR 37 2HG2 THR 37 7.502 -0.079 5.372 287 H LEU 38 H LEU 38 7.067 -2.915 6.144 288 HA LEU 38 HA LEU 38 4.295 -2.724 6.919 289 HG LEU 38 HG LEU 38 4.087 -4.623 8.802 290 HB2 LEU 38 1HB LEU 38 6.296 -4.205 7.914 291 HB3 LEU 38 2HB LEU 38 6.535 -2.821 8.962 292 HD11 LEU 38 1HD1 LEU 38 4.597 -5.174 11.127 293 HD12 LEU 38 2HD1 LEU 38 6.016 -4.125 11.080 294 HD13 LEU 38 3HD1 LEU 38 5.942 -5.564 10.058 295 HD21 LEU 38 3HD2 LEU 38 3.026 -3.327 10.584 296 HD22 LEU 38 1HD2 LEU 38 3.252 -2.346 9.135 297 HD23 LEU 38 2HD2 LEU 38 4.331 -2.137 10.517 298 H ILE 39 H ILE 39 3.498 -0.689 6.769 299 HA ILE 39 HA ILE 39 4.402 1.242 8.820 300 HB ILE 39 HB ILE 39 3.458 2.030 6.011 301 HG12 ILE 39 1HG1 ILE 39 6.176 2.478 7.338 302 HG13 ILE 39 2HG1 ILE 39 5.844 1.313 6.069 303 HG21 ILE 39 1HG2 ILE 39 3.816 4.389 6.734 304 HG22 ILE 39 2HG2 ILE 39 4.157 3.829 8.370 305 HG23 ILE 39 3HG2 ILE 39 2.553 3.595 7.674 306 HD11 ILE 39 3HD1 ILE 39 6.960 3.249 5.172 307 HD12 ILE 39 1HD1 ILE 39 5.711 4.314 5.817 308 HD13 ILE 39 2HD1 ILE 39 5.319 3.167 4.533 309 H SER 40 H SER 40 2.705 2.011 10.037 310 HA SER 40 HA SER 40 0.029 0.956 9.536 311 HG SER 40 HG SER 40 -1.199 1.137 12.065 312 HB2 SER 40 1HB SER 40 0.902 1.051 11.869 313 HB3 SER 40 2HB SER 40 0.985 2.813 11.763 314 H VAL 41 H VAL 41 -1.641 2.101 8.692 315 HA VAL 41 HA VAL 41 -1.373 4.458 7.214 316 HB VAL 41 HB VAL 41 -3.169 2.814 6.819 317 HG11 VAL 41 1HG1 VAL 41 -4.433 3.778 9.411 318 HG12 VAL 41 2HG1 VAL 41 -3.686 2.202 9.142 319 HG13 VAL 41 3HG1 VAL 41 -5.152 2.640 8.267 320 HG21 VAL 41 3HG2 VAL 41 -3.516 5.078 5.928 321 HG22 VAL 41 1HG2 VAL 41 -4.302 5.575 7.427 322 HG23 VAL 41 2HG2 VAL 41 -5.059 4.364 6.393 323 H ASN 42 H ASN 42 -1.949 4.049 10.617 324 HA ASN 42 HA ASN 42 -3.003 6.593 11.312 325 HB2 ASN 42 1HB ASN 42 -1.391 4.591 12.954 326 HB3 ASN 42 2HB ASN 42 -2.190 6.002 13.635 327 HD21 ASN 42 2HD2 ASN 42 -2.681 2.872 12.159 328 HD22 ASN 42 1HD2 ASN 42 -4.329 2.696 12.627 329 H ASP 43 H ASP 43 0.304 5.376 10.938 330 HA ASP 43 HA ASP 43 1.566 7.708 12.102 331 HB2 ASP 43 1HB ASP 43 2.699 5.233 10.746 332 HB3 ASP 43 2HB ASP 43 3.719 6.544 11.332 333 H GLN 44 H GLN 44 0.750 9.366 10.749 334 HA GLN 44 HA GLN 44 1.446 9.676 8.012 335 HB2 GLN 44 1HB GLN 44 0.698 11.639 10.200 336 HB3 GLN 44 2HB GLN 44 1.314 12.246 8.667 337 HG2 GLN 44 1HG GLN 44 -1.071 12.331 8.573 338 HG3 GLN 44 2HG GLN 44 -0.525 11.052 7.490 339 HE21 GLN 44 2HE2 GLN 44 -0.990 8.881 8.027 340 HE22 GLN 44 1HE2 GLN 44 -2.150 8.470 9.240 341 H GLU 45 H GLU 45 3.267 10.021 10.973 342 HA GLU 45 HA GLU 45 5.424 11.580 9.977 343 HB2 GLU 45 1HB GLU 45 6.657 10.857 11.995 344 HB3 GLU 45 2HB GLU 45 5.036 11.416 12.374 345 HG2 GLU 45 1HG GLU 45 4.253 9.143 12.712 346 HG3 GLU 45 2HG GLU 45 5.784 8.488 12.135 347 H LYS 46 H LYS 46 4.862 8.088 10.143 348 HA LYS 46 HA LYS 46 7.487 7.350 9.167 349 HB2 LYS 46 1HB LYS 46 6.232 5.940 10.783 350 HB3 LYS 46 2HB LYS 46 4.971 5.682 9.593 351 HG2 LYS 46 1HG LYS 46 6.327 3.702 9.760 352 HG3 LYS 46 2HG LYS 46 6.582 4.428 8.181 353 HD2 LYS 46 1HD LYS 46 8.546 5.166 10.332 354 HD3 LYS 46 2HD LYS 46 8.608 3.509 9.742 355 HE2 LYS 46 1HE LYS 46 8.941 4.323 7.444 356 HE3 LYS 46 2HE LYS 46 8.848 5.993 8.009 357 HZ1 LYS 46 3HZ LYS 46 10.823 5.545 9.389 358 HZ2 LYS 46 1HZ LYS 46 11.128 5.359 7.738 359 HZ3 LYS 46 2HZ LYS 46 10.937 3.994 8.716 360 H LEU 47 H LEU 47 4.216 7.650 7.845 361 HA LEU 47 HA LEU 47 4.701 6.702 5.230 362 HG LEU 47 HG LEU 47 2.396 6.084 6.772 363 HB2 LEU 47 1HB LEU 47 2.683 8.603 6.440 364 HB3 LEU 47 2HB LEU 47 2.687 8.302 4.715 365 HD11 LEU 47 1HD1 LEU 47 0.497 7.603 7.026 366 HD12 LEU 47 2HD1 LEU 47 -0.014 6.084 6.291 367 HD13 LEU 47 3HD1 LEU 47 0.178 7.526 5.290 368 HD21 LEU 47 3HD2 LEU 47 1.835 6.110 3.781 369 HD22 LEU 47 1HD2 LEU 47 1.596 4.745 4.875 370 HD23 LEU 47 2HD2 LEU 47 3.223 5.346 4.564 371 H ALA 48 H ALA 48 4.887 9.968 6.630 372 HA ALA 48 HA ALA 48 5.637 11.395 4.312 373 HB1 ALA 48 3HB ALA 48 4.742 12.496 6.325 374 HB2 ALA 48 1HB ALA 48 6.297 13.191 5.860 375 HB3 ALA 48 2HB ALA 48 6.199 12.065 7.218 376 H ASP 49 H ASP 49 7.529 9.924 6.926 377 HA ASP 49 HA ASP 49 10.099 10.774 6.143 378 HB2 ASP 49 1HB ASP 49 9.750 9.966 8.396 379 HB3 ASP 49 2HB ASP 49 9.176 8.408 7.813 380 H PHE 50 H PHE 50 8.291 7.779 5.462 381 HA PHE 50 HA PHE 50 10.298 6.347 4.123 382 HD1 PHE 50 HD2 PHE 50 9.841 3.558 4.266 383 HD2 PHE 50 HD1 PHE 50 7.193 5.309 1.394 384 HE1 PHE 50 HE2 PHE 50 10.249 1.681 2.732 385 HE2 PHE 50 HE1 PHE 50 7.624 3.431 -0.133 386 HZ PHE 50 HZ PHE 50 9.148 1.620 0.535 387 HB2 PHE 50 1HB PHE 50 8.152 5.337 4.916 388 HB3 PHE 50 2HB PHE 50 7.285 6.203 3.651 389 H LEU 51 H LEU 51 7.872 8.623 2.978 390 HA LEU 51 HA LEU 51 8.608 8.420 0.219 391 HG LEU 51 HG LEU 51 5.900 8.118 1.587 392 HB2 LEU 51 1HB LEU 51 6.871 10.410 1.695 393 HB3 LEU 51 2HB LEU 51 7.083 10.394 -0.054 394 HD11 LEU 51 1HD1 LEU 51 4.510 10.027 -0.295 395 HD12 LEU 51 2HD1 LEU 51 4.398 10.040 1.466 396 HD13 LEU 51 3HD1 LEU 51 3.775 8.666 0.557 397 HD21 LEU 51 3HD2 LEU 51 7.066 7.238 -0.373 398 HD22 LEU 51 1HD2 LEU 51 6.195 8.358 -1.427 399 HD23 LEU 51 2HD2 LEU 51 5.325 7.081 -0.573 400 H SER 52 H SER 52 9.579 10.469 2.900 401 HA SER 52 HA SER 52 10.822 12.545 1.407 402 HG SER 52 HG SER 52 12.860 13.099 4.051 403 HB2 SER 52 1HB SER 52 10.118 12.868 3.749 404 HB3 SER 52 2HB SER 52 11.299 11.675 4.286 405 H GLN 53 H GLN 53 11.837 9.343 2.333 406 HA GLN 53 HA GLN 53 14.579 9.407 2.528 407 HB2 GLN 53 1HB GLN 53 12.860 7.269 1.197 408 HB3 GLN 53 2HB GLN 53 14.548 7.031 1.621 409 HG2 GLN 53 1HG GLN 53 12.285 7.566 3.562 410 HG3 GLN 53 2HG GLN 53 13.063 6.013 3.275 411 HE21 GLN 53 2HE2 GLN 53 12.802 7.574 5.756 412 HE22 GLN 53 1HE2 GLN 53 14.409 7.812 6.341 413 H HIS 54 H HIS 54 12.707 9.343 -0.480 414 HA HIS 54 HA HIS 54 15.053 10.309 -1.995 415 HD1 HIS 54 HD1 HIS 54 16.659 8.616 -4.272 416 HD2 HIS 54 HD2 HIS 54 15.368 6.455 -0.973 417 HE1 HIS 54 HE1 HIS 54 18.666 7.349 -3.475 418 HE2 HIS 54 HE2 HIS 54 17.910 6.234 -1.352 419 HB2 HIS 54 1HB HIS 54 13.444 7.804 -2.587 420 HB3 HIS 54 2HB HIS 54 14.110 8.713 -3.942 421 H LYS 55 H LYS 55 12.439 11.362 -0.925 422 HA LYS 55 HA LYS 55 10.540 12.371 -1.311 423 HB2 LYS 55 1HB LYS 55 12.691 13.824 -2.457 424 HB3 LYS 55 2HB LYS 55 11.384 13.997 -3.607 425 HG2 LYS 55 1HG LYS 55 10.550 14.450 -0.788 426 HG3 LYS 55 2HG LYS 55 11.777 15.576 -1.349 427 HD2 LYS 55 1HD LYS 55 9.499 16.455 -1.657 428 HD3 LYS 55 2HD LYS 55 10.360 16.283 -3.182 429 HE2 LYS 55 1HE LYS 55 9.084 14.243 -3.680 430 HE3 LYS 55 2HE LYS 55 8.261 14.371 -2.131 431 HZ1 LYS 55 3HZ LYS 55 8.059 16.272 -4.404 432 HZ2 LYS 55 1HZ LYS 55 7.360 16.525 -2.881 433 HZ3 LYS 55 2HZ LYS 55 6.854 15.231 -3.840 434 H ASP 56 H ASP 56 11.590 12.186 -4.665 435 HA ASP 56 HA ASP 56 8.932 11.236 -5.480 436 HB2 ASP 56 1HB ASP 56 9.638 13.274 -6.594 437 HB3 ASP 56 2HB ASP 56 11.184 12.564 -7.032 438 H LYS 57 H LYS 57 9.175 9.060 -4.968 439 HA LYS 57 HA LYS 57 10.342 7.537 -7.187 440 HB2 LYS 57 1HB LYS 57 11.137 5.722 -5.811 441 HB3 LYS 57 2HB LYS 57 11.883 7.199 -5.228 442 HG2 LYS 57 1HG LYS 57 9.444 5.979 -3.913 443 HG3 LYS 57 2HG LYS 57 11.091 5.528 -3.474 444 HD2 LYS 57 1HD LYS 57 11.584 7.793 -2.752 445 HD3 LYS 57 2HD LYS 57 10.023 8.373 -3.336 446 HE2 LYS 57 1HE LYS 57 10.129 8.028 -0.863 447 HE3 LYS 57 2HE LYS 57 8.847 7.118 -1.661 448 HZ1 LYS 57 3HZ LYS 57 10.147 5.138 -1.497 449 HZ2 LYS 57 1HZ LYS 57 10.081 5.849 0.033 450 HZ3 LYS 57 2HZ LYS 57 11.483 5.978 -0.897 451 H LYS 58 H LYS 58 9.210 5.379 -7.388 452 HA LYS 58 HA LYS 58 6.364 5.926 -7.290 453 HB2 LYS 58 1HB LYS 58 7.680 5.056 -9.306 454 HB3 LYS 58 2HB LYS 58 7.685 3.487 -8.498 455 HG2 LYS 58 1HG LYS 58 5.385 3.189 -8.750 456 HG3 LYS 58 2HG LYS 58 5.062 4.920 -8.900 457 HD2 LYS 58 1HD LYS 58 4.766 3.722 -11.044 458 HD3 LYS 58 2HD LYS 58 6.023 4.956 -11.127 459 HE2 LYS 58 1HE LYS 58 7.765 3.260 -10.991 460 HE3 LYS 58 2HE LYS 58 6.562 1.997 -10.717 461 HZ1 LYS 58 3HZ LYS 58 7.261 1.930 -12.976 462 HZ2 LYS 58 1HZ LYS 58 6.945 3.578 -13.202 463 HZ3 LYS 58 2HZ LYS 58 5.673 2.496 -12.945 464 H VAL 59 H VAL 59 5.533 5.547 -5.330 465 HA VAL 59 HA VAL 59 5.960 2.952 -3.977 466 HB VAL 59 HB VAL 59 5.321 5.698 -2.800 467 HG11 VAL 59 1HG1 VAL 59 4.034 4.025 -1.550 468 HG12 VAL 59 2HG1 VAL 59 5.362 4.628 -0.561 469 HG13 VAL 59 3HG1 VAL 59 5.481 3.039 -1.325 470 HG21 VAL 59 3HG2 VAL 59 7.686 5.362 -3.373 471 HG22 VAL 59 1HG2 VAL 59 7.727 3.864 -2.440 472 HG23 VAL 59 2HG2 VAL 59 7.486 5.411 -1.623 473 H LEU 60 H LEU 60 4.201 1.809 -3.321 474 HA LEU 60 HA LEU 60 1.516 2.726 -4.175 475 HG LEU 60 HG LEU 60 0.206 -0.077 -3.858 476 HB2 LEU 60 1HB LEU 60 2.420 0.974 -5.672 477 HB3 LEU 60 2HB LEU 60 2.703 -0.075 -4.288 478 HD11 LEU 60 1HD1 LEU 60 -0.415 1.976 -4.961 479 HD12 LEU 60 2HD1 LEU 60 -1.287 0.636 -5.696 480 HD13 LEU 60 3HD1 LEU 60 0.100 1.346 -6.525 481 HD21 LEU 60 3HD2 LEU 60 1.293 -1.946 -5.017 482 HD22 LEU 60 1HD2 LEU 60 1.049 -1.138 -6.568 483 HD23 LEU 60 2HD2 LEU 60 -0.339 -1.672 -5.619 484 H LEU 61 H LEU 61 0.582 3.257 -2.234 485 HA LEU 61 HA LEU 61 0.929 1.680 0.181 486 HG LEU 61 HG LEU 61 1.153 4.864 -0.809 487 HB2 LEU 61 1HB LEU 61 -1.092 3.904 -0.348 488 HB3 LEU 61 2HB LEU 61 -0.535 3.329 1.212 489 HD11 LEU 61 1HD1 LEU 61 -0.539 6.277 0.276 490 HD12 LEU 61 2HD1 LEU 61 1.093 6.721 0.768 491 HD13 LEU 61 3HD1 LEU 61 0.066 5.791 1.862 492 HD21 LEU 61 3HD2 LEU 61 2.884 4.976 0.932 493 HD22 LEU 61 1HD2 LEU 61 2.557 3.309 0.465 494 HD23 LEU 61 2HD2 LEU 61 1.912 3.942 1.981 495 H HIS 62 H HIS 62 0.052 -0.398 -0.114 496 HA HIS 62 HA HIS 62 -2.642 -0.699 -1.255 497 HD1 HIS 62 HD1 HIS 62 -2.782 -4.472 0.290 498 HD2 HIS 62 HD2 HIS 62 1.164 -3.199 0.332 499 HE1 HIS 62 HE1 HIS 62 -1.618 -5.932 1.960 500 HE2 HIS 62 HE2 HIS 62 0.677 -4.953 2.157 501 HB2 HIS 62 1HB HIS 62 -2.156 -2.925 -1.703 502 HB3 HIS 62 2HB HIS 62 -0.527 -2.269 -1.742 503 H CYS 63 H CYS 63 -4.413 -1.446 -0.118 504 HA CYS 63 HA CYS 63 -4.151 -1.683 2.848 505 HG CYS 63 HG CYS 63 -6.324 -0.758 4.629 506 HB2 CYS 63 1HB CYS 63 -5.317 0.370 2.311 507 HB3 CYS 63 2HB CYS 63 -6.413 -0.475 1.216 508 H ARG 64 H ARG 64 -5.594 -3.070 3.948 509 HA ARG 64 HA ARG 64 -6.350 -5.575 3.243 510 HE ARG 64 HE ARG 64 -6.820 -5.875 7.298 511 HB2 ARG 64 1HB ARG 64 -6.697 -4.548 5.513 512 HB3 ARG 64 2HB ARG 64 -8.033 -3.616 4.872 513 HG2 ARG 64 1HG ARG 64 -9.194 -5.321 5.906 514 HG3 ARG 64 2HG ARG 64 -9.043 -5.992 4.284 515 HD2 ARG 64 1HD ARG 64 -8.513 -7.765 5.762 516 HD3 ARG 64 2HD ARG 64 -6.960 -7.202 5.141 517 HH11 ARG 64 1HH1 ARG 64 -8.602 -8.897 7.176 518 HH12 ARG 64 2HH1 ARG 64 -8.393 -9.215 8.864 519 HH21 ARG 64 1HH2 ARG 64 -6.598 -6.309 9.499 520 HH22 ARG 64 2HH2 ARG 64 -7.267 -7.758 10.176 521 H ALA 65 H ALA 65 -8.522 -2.727 2.910 522 HA ALA 65 HA ALA 65 -10.043 -4.123 0.774 523 HB1 ALA 65 3HB ALA 65 -11.946 -2.689 1.370 524 HB2 ALA 65 1HB ALA 65 -10.980 -1.888 2.612 525 HB3 ALA 65 2HB ALA 65 -11.385 -3.597 2.775 526 H GLY 66 H GLY 66 -9.342 -0.668 1.690 527 HA2 GLY 66 1HA GLY 66 -7.660 0.027 -0.348 528 HA3 GLY 66 2HA GLY 66 -9.240 0.110 -1.109 529 H ARG 67 H ARG 67 -10.106 1.016 1.843 530 HA ARG 67 HA ARG 67 -10.146 3.802 1.132 531 HE ARG 67 HE ARG 67 -11.972 7.056 3.015 532 HB2 ARG 67 1HB ARG 67 -11.978 2.461 2.414 533 HB3 ARG 67 2HB ARG 67 -11.000 2.714 3.847 534 HG2 ARG 67 1HG ARG 67 -11.961 5.021 2.136 535 HG3 ARG 67 2HG ARG 67 -12.965 4.335 3.405 536 HD2 ARG 67 1HD ARG 67 -11.669 5.236 5.107 537 HD3 ARG 67 2HD ARG 67 -10.186 5.190 4.150 538 HH11 ARG 67 1HH1 ARG 67 -10.112 6.738 5.964 539 HH12 ARG 67 2HH1 ARG 67 -9.669 8.416 6.019 540 HH21 ARG 67 1HH2 ARG 67 -11.396 9.259 3.090 541 HH22 ARG 67 2HH2 ARG 67 -10.386 9.840 4.379 542 H ARG 68 H ARG 68 -8.383 1.864 3.573 543 HA ARG 68 HA ARG 68 -7.018 4.028 4.834 544 HE ARG 68 HE ARG 68 -8.831 1.165 8.277 545 HB2 ARG 68 1HB ARG 68 -6.078 1.145 4.533 546 HB3 ARG 68 2HB ARG 68 -5.415 2.316 5.662 547 HG2 ARG 68 1HG ARG 68 -8.222 1.181 5.715 548 HG3 ARG 68 2HG ARG 68 -6.896 0.711 6.767 549 HD2 ARG 68 1HD ARG 68 -6.842 3.134 7.579 550 HD3 ARG 68 2HD ARG 68 -8.366 3.361 6.715 551 HH11 ARG 68 1HH1 ARG 68 -7.777 4.436 9.034 552 HH12 ARG 68 2HH1 ARG 68 -8.449 4.420 10.630 553 HH21 ARG 68 1HH2 ARG 68 -9.686 1.166 10.397 554 HH22 ARG 68 2HH2 ARG 68 -9.512 2.573 11.403 555 H ALA 69 H ALA 69 -6.434 2.194 1.922 556 HA ALA 69 HA ALA 69 -3.795 2.981 1.287 557 HB1 ALA 69 3HB ALA 69 -4.340 2.260 -0.996 558 HB2 ALA 69 1HB ALA 69 -6.063 2.263 -0.612 559 HB3 ALA 69 2HB ALA 69 -4.983 1.112 0.174 560 H LEU 70 H LEU 70 -6.920 4.235 0.130 561 HA LEU 70 HA LEU 70 -6.124 6.524 -1.233 562 HG LEU 70 HG LEU 70 -8.599 8.357 0.050 563 HB2 LEU 70 1HB LEU 70 -8.385 5.688 -1.411 564 HB3 LEU 70 2HB LEU 70 -8.655 5.862 0.315 565 HD11 LEU 70 1HD1 LEU 70 -8.487 7.815 -2.932 566 HD12 LEU 70 2HD1 LEU 70 -7.212 8.552 -1.960 567 HD13 LEU 70 3HD1 LEU 70 -8.748 9.387 -2.171 568 HD21 LEU 70 3HD2 LEU 70 -10.750 7.155 0.052 569 HD22 LEU 70 1HD2 LEU 70 -10.662 6.980 -1.704 570 HD23 LEU 70 2HD2 LEU 70 -10.812 8.583 -0.977 571 H ASP 71 H ASP 71 -7.035 6.178 2.185 572 HA ASP 71 HA ASP 71 -7.008 8.866 2.960 573 HB2 ASP 71 1HB ASP 71 -8.101 7.128 4.287 574 HB3 ASP 71 2HB ASP 71 -6.561 6.331 4.594 575 H ALA 72 H ALA 72 -4.510 6.375 3.493 576 HA ALA 72 HA ALA 72 -2.474 7.911 4.596 577 HB1 ALA 72 3HB ALA 72 -2.208 5.501 2.757 578 HB2 ALA 72 1HB ALA 72 -2.451 5.446 4.505 579 HB3 ALA 72 2HB ALA 72 -0.959 6.116 3.845 580 H ALA 73 H ALA 73 -3.200 7.226 1.175 581 HA ALA 73 HA ALA 73 -0.985 8.575 0.053 582 HB1 ALA 73 3HB ALA 73 -2.168 8.380 -2.081 583 HB2 ALA 73 1HB ALA 73 -3.656 7.942 -1.235 584 HB3 ALA 73 2HB ALA 73 -2.255 6.869 -1.175 585 H LYS 74 H LYS 74 -4.246 9.726 0.972 586 HA LYS 74 HA LYS 74 -4.173 12.187 -0.448 587 HB2 LYS 74 1HB LYS 74 -5.758 11.592 2.089 588 HB3 LYS 74 2HB LYS 74 -5.992 12.982 1.032 589 HG2 LYS 74 1HG LYS 74 -6.417 11.139 -0.815 590 HG3 LYS 74 2HG LYS 74 -6.698 10.097 0.574 591 HD2 LYS 74 1HD LYS 74 -8.842 10.893 -0.085 592 HD3 LYS 74 2HD LYS 74 -8.429 11.817 1.360 593 HE2 LYS 74 1HE LYS 74 -7.772 13.735 -0.045 594 HE3 LYS 74 2HE LYS 74 -8.094 12.788 -1.504 595 HZ1 LYS 74 3HZ LYS 74 -10.412 12.711 -0.930 596 HZ2 LYS 74 1HZ LYS 74 -9.898 14.322 -0.941 597 HZ3 LYS 74 2HZ LYS 74 -10.138 13.518 0.527 598 H SER 75 H SER 75 -3.664 11.565 3.036 599 HA SER 75 HA SER 75 -2.841 14.051 3.890 600 HG SER 75 HG SER 75 -3.715 11.066 5.537 601 HB2 SER 75 1HB SER 75 -1.767 11.365 4.869 602 HB3 SER 75 2HB SER 75 -1.758 12.885 5.776 603 H MET 76 H MET 76 -0.848 11.501 2.446 604 HA MET 76 HA MET 76 1.678 12.804 2.711 605 HB2 MET 76 1HB MET 76 0.660 10.442 1.120 606 HB3 MET 76 2HB MET 76 2.313 11.010 0.921 607 HG2 MET 76 1HG MET 76 1.992 9.072 2.506 608 HG3 MET 76 2HG MET 76 2.895 10.436 3.153 609 HE1 MET 76 3HE MET 76 1.661 12.281 4.835 610 HE2 MET 76 1HE MET 76 2.546 10.963 5.605 611 HE3 MET 76 2HE MET 76 0.966 11.444 6.221 612 H HIS 77 H HIS 77 -0.648 12.612 -0.024 613 HA HIS 77 HA HIS 77 0.800 14.140 -1.896 614 HD1 HIS 77 HD1 HIS 77 -1.030 14.120 -4.977 615 HD2 HIS 77 HD2 HIS 77 -0.952 10.883 -2.381 616 HE1 HIS 77 HE1 HIS 77 -0.731 12.089 -6.419 617 HE2 HIS 77 HE2 HIS 77 -0.579 10.163 -4.815 618 HB2 HIS 77 1HB HIS 77 -2.119 13.477 -1.557 619 HB3 HIS 77 2HB HIS 77 -1.707 14.778 -2.663 620 H GLU 78 H GLU 78 -1.197 15.109 0.834 621 HA GLU 78 HA GLU 78 -1.321 17.897 0.192 622 HB2 GLU 78 1HB GLU 78 -1.697 16.654 2.940 623 HB3 GLU 78 2HB GLU 78 -2.355 18.177 2.354 624 HG2 GLU 78 1HG GLU 78 -3.141 15.398 1.490 625 HG3 GLU 78 2HG GLU 78 -4.098 16.485 2.446 626 H LEU 79 H LEU 79 0.972 15.852 1.852 627 HA LEU 79 HA LEU 79 2.596 18.023 2.907 628 HG LEU 79 HG LEU 79 1.474 15.153 4.121 629 HB2 LEU 79 1HB LEU 79 3.331 15.091 2.580 630 HB3 LEU 79 2HB LEU 79 4.216 16.280 3.522 631 HD11 LEU 79 1HD1 LEU 79 2.540 14.282 6.168 632 HD12 LEU 79 2HD1 LEU 79 4.097 14.891 5.601 633 HD13 LEU 79 3HD1 LEU 79 3.258 13.629 4.697 634 HD21 LEU 79 3HD2 LEU 79 1.472 16.491 6.193 635 HD22 LEU 79 1HD2 LEU 79 1.450 17.515 4.758 636 HD23 LEU 79 2HD2 LEU 79 2.948 17.310 5.668 637 H GLY 80 H GLY 80 2.098 16.998 -0.193 638 HA2 GLY 80 1HA GLY 80 3.130 18.070 -2.023 639 HA3 GLY 80 2HA GLY 80 4.618 18.236 -1.109 640 H TYR 81 H TYR 81 3.634 15.116 -0.580 641 HA TYR 81 HA TYR 81 5.441 13.999 -2.607 642 HD1 TYR 81 HD2 TYR 81 7.385 13.296 -1.130 643 HD2 TYR 81 HD1 TYR 81 4.167 13.107 1.678 644 HE1 TYR 81 HE2 TYR 81 8.923 13.912 0.676 645 HE2 TYR 81 HE1 TYR 81 5.712 13.731 3.487 646 HH TYR 81 HH TYR 81 8.129 13.642 3.966 647 HB2 TYR 81 1HB TYR 81 3.721 12.533 -0.554 648 HB3 TYR 81 2HB TYR 81 5.071 11.859 -1.466 649 H THR 82 H THR 82 4.511 11.845 -3.694 650 HA THR 82 HA THR 82 1.708 12.113 -4.530 651 HB THR 82 HB THR 82 2.458 11.695 -6.986 652 HG1 THR 82 HG1 THR 82 4.551 12.250 -7.522 653 HG21 THR 82 3HG2 THR 82 2.791 14.071 -7.498 654 HG22 THR 82 1HG2 THR 82 3.132 14.408 -5.799 655 HG23 THR 82 2HG2 THR 82 1.522 13.872 -6.287 656 HA PRO 83 HA PRO 83 3.113 7.582 -4.032 657 HB2 PRO 83 1HB PRO 83 1.556 6.865 -1.910 658 HB3 PRO 83 2HB PRO 83 3.160 7.587 -1.697 659 HG2 PRO 83 1HG PRO 83 0.459 8.956 -1.629 660 HG3 PRO 83 2HG PRO 83 1.797 9.066 -0.459 661 HD2 PRO 83 1HD PRO 83 1.446 10.964 -2.335 662 HD3 PRO 83 2HD PRO 83 3.074 10.448 -1.849 663 H TYR 84 H TYR 84 2.008 6.063 -5.140 664 HA TYR 84 HA TYR 84 -0.756 6.336 -5.968 665 HD1 TYR 84 HD2 TYR 84 2.971 5.796 -6.975 666 HD2 TYR 84 HD1 TYR 84 -0.677 5.173 -9.120 667 HE1 TYR 84 HE2 TYR 84 3.916 6.946 -8.928 668 HE2 TYR 84 HE1 TYR 84 0.271 6.334 -11.060 669 HH TYR 84 HH TYR 84 2.057 8.037 -11.496 670 HB2 TYR 84 1HB TYR 84 1.234 4.027 -6.261 671 HB3 TYR 84 2HB TYR 84 -0.363 4.069 -7.007 672 H TYR 85 H TYR 85 -2.217 4.325 -5.588 673 HA TYR 85 HA TYR 85 -1.763 2.919 -3.093 674 HD1 TYR 85 HD1 TYR 85 -3.162 6.759 -3.955 675 HD2 TYR 85 HD2 TYR 85 -6.059 3.732 -3.096 676 HE1 TYR 85 HE1 TYR 85 -4.907 8.121 -4.997 677 HE2 TYR 85 HE2 TYR 85 -7.797 5.102 -4.147 678 HH TYR 85 HH TYR 85 -7.082 7.792 -6.062 679 HB2 TYR 85 1HB TYR 85 -3.862 3.669 -2.026 680 HB3 TYR 85 2HB TYR 85 -2.725 4.983 -2.238 681 H LEU 86 H LEU 86 -2.893 1.047 -2.913 682 HA LEU 86 HA LEU 86 -4.307 0.149 -5.340 683 HG LEU 86 HG LEU 86 -2.650 -3.219 -5.201 684 HB2 LEU 86 1HB LEU 86 -2.140 -0.968 -4.795 685 HB3 LEU 86 2HB LEU 86 -2.805 -1.506 -3.268 686 HD11 LEU 86 1HD1 LEU 86 -4.703 -4.405 -4.624 687 HD12 LEU 86 2HD1 LEU 86 -5.345 -2.950 -3.859 688 HD13 LEU 86 3HD1 LEU 86 -3.919 -3.744 -3.190 689 HD21 LEU 86 3HD2 LEU 86 -5.095 -1.754 -6.218 690 HD22 LEU 86 1HD2 LEU 86 -4.452 -3.277 -6.838 691 HD23 LEU 86 2HD2 LEU 86 -3.511 -1.797 -6.997 692 H GLU 87 H GLU 87 -6.357 0.015 -5.155 693 HA GLU 87 HA GLU 87 -7.718 -0.671 -2.632 694 HB2 GLU 87 1HB GLU 87 -8.827 0.300 -5.308 695 HB3 GLU 87 2HB GLU 87 -9.769 0.037 -3.843 696 HG2 GLU 87 1HG GLU 87 -8.408 1.809 -2.705 697 HG3 GLU 87 2HG GLU 87 -7.589 2.111 -4.233 698 H GLY 88 H GLY 88 -7.764 -2.825 -2.348 699 HA2 GLY 88 1HA GLY 88 -9.257 -4.589 -3.941 700 HA3 GLY 88 2HA GLY 88 -7.550 -4.852 -4.294 701 H ASN 89 H ASN 89 -9.335 -6.744 -3.075 702 HA ASN 89 HA ASN 89 -9.092 -6.831 -0.230 703 HB2 ASN 89 1HB ASN 89 -9.744 -9.060 -2.211 704 HB3 ASN 89 2HB ASN 89 -9.860 -9.221 -0.463 705 HD21 ASN 89 2HD2 ASN 89 -12.020 -9.662 -0.483 706 HD22 ASN 89 1HD2 ASN 89 -13.218 -8.484 -0.866 707 H VAL 90 H VAL 90 -7.427 -7.510 0.994 708 HA VAL 90 HA VAL 90 -4.895 -8.052 -0.163 709 HB VAL 90 HB VAL 90 -5.215 -6.890 2.048 710 HG11 VAL 90 1HG1 VAL 90 -5.455 -8.201 4.115 711 HG12 VAL 90 2HG1 VAL 90 -5.691 -9.669 3.164 712 HG13 VAL 90 3HG1 VAL 90 -6.871 -8.362 3.075 713 HG21 VAL 90 3HG2 VAL 90 -3.285 -9.245 2.100 714 HG22 VAL 90 1HG2 VAL 90 -3.187 -7.820 3.137 715 HG23 VAL 90 2HG2 VAL 90 -2.978 -7.658 1.394 716 H TYR 91 H TYR 91 -7.418 -10.143 1.003 717 HA TYR 91 HA TYR 91 -5.879 -12.567 1.172 718 HD1 TYR 91 HD2 TYR 91 -6.782 -13.839 3.577 719 HD2 TYR 91 HD1 TYR 91 -9.095 -10.352 2.726 720 HE1 TYR 91 HE2 TYR 91 -6.644 -13.171 5.931 721 HE2 TYR 91 HE1 TYR 91 -8.928 -9.659 5.077 722 HH TYR 91 HH TYR 91 -6.761 -10.983 7.228 723 HB2 TYR 91 1HB TYR 91 -8.895 -12.119 1.047 724 HB3 TYR 91 2HB TYR 91 -8.116 -13.649 1.453 725 H ASP 92 H ASP 92 -7.312 -10.818 -1.405 726 HA ASP 92 HA ASP 92 -7.564 -13.160 -3.167 727 HB2 ASP 92 1HB ASP 92 -8.585 -10.310 -3.380 728 HB3 ASP 92 2HB ASP 92 -8.602 -11.403 -4.766 729 H PHE 93 H PHE 93 -5.183 -10.873 -2.474 730 HA PHE 93 HA PHE 93 -4.127 -10.159 -4.952 731 HD1 PHE 93 HD2 PHE 93 -4.904 -8.506 -3.913 732 HD2 PHE 93 HD1 PHE 93 -1.532 -8.709 -1.324 733 HE1 PHE 93 HE2 PHE 93 -5.448 -6.280 -3.053 734 HE2 PHE 93 HE1 PHE 93 -2.074 -6.485 -0.471 735 HZ PHE 93 HZ PHE 93 -4.023 -5.252 -1.324 736 HB2 PHE 93 1HB PHE 93 -2.599 -10.804 -2.402 737 HB3 PHE 93 2HB PHE 93 -1.880 -10.034 -3.811 738 H GLU 94 H GLU 94 -3.447 -13.084 -3.037 739 HA GLU 94 HA GLU 94 -1.415 -14.029 -4.785 740 HB2 GLU 94 1HB GLU 94 -1.889 -14.545 -2.213 741 HB3 GLU 94 2HB GLU 94 -2.799 -15.906 -2.862 742 HG2 GLU 94 1HG GLU 94 -0.755 -16.642 -4.095 743 HG3 GLU 94 2HG GLU 94 0.125 -15.288 -3.381 744 H LYS 95 H LYS 95 -4.867 -14.742 -4.515 745 HA LYS 95 HA LYS 95 -4.806 -16.847 -6.512 746 HB2 LYS 95 1HB LYS 95 -7.309 -16.821 -6.278 747 HB3 LYS 95 2HB LYS 95 -6.445 -17.088 -4.770 748 HG2 LYS 95 1HG LYS 95 -6.773 -14.695 -4.187 749 HG3 LYS 95 2HG LYS 95 -7.726 -14.488 -5.654 750 HD2 LYS 95 1HD LYS 95 -8.447 -16.457 -3.443 751 HD3 LYS 95 2HD LYS 95 -9.070 -14.807 -3.527 752 HE2 LYS 95 1HE LYS 95 -9.471 -16.906 -5.686 753 HE3 LYS 95 2HE LYS 95 -10.651 -16.496 -4.438 754 HZ1 LYS 95 3HZ LYS 95 -11.143 -15.338 -6.466 755 HZ2 LYS 95 1HZ LYS 95 -9.602 -14.650 -6.511 756 HZ3 LYS 95 2HZ LYS 95 -10.682 -14.225 -5.280 757 H TYR 96 H TYR 96 -5.051 -13.389 -6.621 758 HA TYR 96 HA TYR 96 -5.999 -13.291 -9.372 759 HD1 TYR 96 HD1 TYR 96 -7.547 -12.453 -6.898 760 HD2 TYR 96 HD2 TYR 96 -6.694 -9.447 -9.817 761 HE1 TYR 96 HE1 TYR 96 -9.894 -11.738 -6.850 762 HE2 TYR 96 HE2 TYR 96 -9.045 -8.732 -9.765 763 HH TYR 96 HH TYR 96 -11.243 -9.798 -7.357 764 HB2 TYR 96 1HB TYR 96 -5.041 -11.234 -7.394 765 HB3 TYR 96 2HB TYR 96 -4.930 -10.827 -9.102 766 H GLY 97 H GLY 97 -2.996 -13.801 -7.746 767 HA2 GLY 97 1HA GLY 97 -1.351 -15.084 -9.019 768 HA3 GLY 97 2HA GLY 97 -1.609 -14.008 -10.385 769 H PHE 98 H PHE 98 -1.368 -12.934 -7.077 770 HA PHE 98 HA PHE 98 1.306 -11.724 -7.546 771 HD1 PHE 98 HD1 PHE 98 1.115 -9.013 -8.471 772 HD2 PHE 98 HD2 PHE 98 -2.785 -10.302 -7.290 773 HE1 PHE 98 HE1 PHE 98 0.136 -7.829 -10.375 774 HE2 PHE 98 HE2 PHE 98 -3.758 -9.112 -9.205 775 HZ PHE 98 HZ PHE 98 -2.298 -7.870 -10.748 776 HB2 PHE 98 1HB PHE 98 -0.936 -10.599 -5.803 777 HB3 PHE 98 2HB PHE 98 0.621 -9.845 -6.132 778 H ARG 99 H ARG 99 2.623 -13.105 -6.445 779 HA ARG 99 HA ARG 99 1.967 -14.854 -4.408 780 HE ARG 99 HE ARG 99 7.083 -11.844 -5.474 781 HB2 ARG 99 1HB ARG 99 4.365 -15.068 -3.946 782 HB3 ARG 99 2HB ARG 99 4.060 -15.029 -5.679 783 HG2 ARG 99 1HG ARG 99 4.912 -12.814 -5.894 784 HG3 ARG 99 2HG ARG 99 4.874 -12.542 -4.154 785 HD2 ARG 99 1HD ARG 99 6.717 -13.986 -3.784 786 HD3 ARG 99 2HD ARG 99 6.610 -14.651 -5.415 787 HH11 ARG 99 1HH1 ARG 99 8.780 -14.865 -4.879 788 HH12 ARG 99 2HH1 ARG 99 10.315 -14.236 -5.393 789 HH21 ARG 99 1HH2 ARG 99 9.091 -11.042 -6.152 790 HH22 ARG 99 2HH2 ARG 99 10.491 -12.070 -6.110 791 H MET 100 H MET 100 2.439 -14.903 -2.177 792 HA MET 100 HA MET 100 2.688 -12.347 -0.750 793 HB2 MET 100 1HB MET 100 0.291 -14.194 -0.311 794 HB3 MET 100 2HB MET 100 0.664 -12.754 0.623 795 HG2 MET 100 1HG MET 100 0.339 -11.403 -1.472 796 HG3 MET 100 2HG MET 100 -0.217 -12.878 -2.263 797 HE1 MET 100 3HE MET 100 -0.987 -10.098 0.336 798 HE2 MET 100 1HE MET 100 -0.767 -11.502 1.385 799 HE3 MET 100 2HE MET 100 -2.364 -10.771 1.214 800 H VAL 101 H VAL 101 3.276 -12.563 1.379 801 HA VAL 101 HA VAL 101 4.237 -15.199 2.275 802 HB VAL 101 HB VAL 101 5.017 -12.495 3.456 803 HG11 VAL 101 1HG1 VAL 101 6.967 -13.728 4.346 804 HG12 VAL 101 2HG1 VAL 101 6.356 -15.217 3.622 805 HG13 VAL 101 3HG1 VAL 101 5.443 -14.422 4.905 806 HG21 VAL 101 3HG2 VAL 101 7.101 -12.579 2.110 807 HG22 VAL 101 1HG2 VAL 101 5.668 -12.440 1.090 808 HG23 VAL 101 2HG2 VAL 101 6.488 -13.995 1.253 809 H TYR 102 H TYR 102 2.471 -16.060 3.218 810 HA TYR 102 HA TYR 102 0.870 -14.755 5.254 811 HD1 TYR 102 HD1 TYR 102 0.841 -16.085 2.014 812 HD2 TYR 102 HD2 TYR 102 -2.296 -16.785 4.844 813 HE1 TYR 102 HE1 TYR 102 -0.825 -15.552 0.310 814 HE2 TYR 102 HE2 TYR 102 -3.954 -16.246 3.118 815 HH TYR 102 HH TYR 102 -3.132 -15.957 -0.203 816 HB2 TYR 102 1HB TYR 102 1.032 -17.657 4.295 817 HB3 TYR 102 2HB TYR 102 -0.076 -17.111 5.548 818 H ASP 103 H ASP 103 0.830 -15.418 7.489 819 HA ASP 103 HA ASP 103 1.545 -16.155 9.514 820 HB2 ASP 103 1HB ASP 103 1.245 -18.357 8.279 821 HB3 ASP 103 2HB ASP 103 2.964 -18.342 7.922 822 H ASP 104 H ASP 104 3.177 -14.195 8.055 823 HA ASP 104 HA ASP 104 5.967 -14.720 8.802 824 HB2 ASP 104 1HB ASP 104 5.345 -13.692 6.575 825 HB3 ASP 104 2HB ASP 104 4.792 -12.260 7.435 826 H THR 105 H THR 105 4.865 -14.804 11.017 827 HA THR 105 HA THR 105 4.714 -12.231 12.418 828 HB THR 105 HB THR 105 2.934 -13.696 13.017 829 HG1 THR 105 HG1 THR 105 4.035 -12.632 14.791 830 HG21 THR 105 3HG2 THR 105 4.957 -15.885 13.616 831 HG22 THR 105 1HG2 THR 105 3.847 -15.851 12.243 832 HG23 THR 105 2HG2 THR 105 3.216 -15.983 13.885 833 H CYS 106 H CYS 106 6.701 -15.039 12.066 834 HA CYS 106 HA CYS 106 8.977 -13.792 13.389 835 HG CYS 106 HG CYS 106 10.415 -17.199 14.205 836 HB2 CYS 106 1HB CYS 106 7.991 -15.041 15.254 837 HB3 CYS 106 2HB CYS 106 7.799 -16.476 14.253 838 H ASP 107 H ASP 107 11.004 -14.986 12.812 839 HA ASP 107 HA ASP 107 10.948 -16.113 10.170 840 HB2 ASP 107 1HB ASP 107 12.883 -14.762 11.032 841 HB3 ASP 107 2HB ASP 107 13.271 -16.063 12.151 842 H LYS 108 H LYS 108 9.587 -17.857 10.341 843 HA LYS 108 HA LYS 108 10.196 -20.083 12.178 844 HB2 LYS 108 1HB LYS 108 7.754 -19.591 10.409 845 HB3 LYS 108 2HB LYS 108 7.920 -20.876 11.605 846 HG2 LYS 108 1HG LYS 108 7.977 -19.215 13.422 847 HG3 LYS 108 2HG LYS 108 7.921 -17.903 12.245 848 HD2 LYS 108 1HD LYS 108 5.705 -18.249 13.260 849 HD3 LYS 108 2HD LYS 108 5.663 -18.615 11.534 850 HE2 LYS 108 1HE LYS 108 5.801 -21.030 12.051 851 HE3 LYS 108 2HE LYS 108 5.852 -20.657 13.773 852 HZ1 LYS 108 3HZ LYS 108 3.603 -19.979 11.959 853 HZ2 LYS 108 1HZ LYS 108 3.649 -19.743 13.628 854 HZ3 LYS 108 2HZ LYS 108 3.638 -21.309 12.998 855 H LYS 109 H LYS 109 9.453 -19.431 8.760 856 HA LYS 109 HA LYS 109 10.297 -21.992 7.794 857 HB2 LYS 109 1HB LYS 109 10.093 -20.887 5.512 858 HB3 LYS 109 2HB LYS 109 8.637 -20.878 6.493 859 HG2 LYS 109 1HG LYS 109 8.984 -18.529 7.065 860 HG3 LYS 109 2HG LYS 109 10.505 -18.513 6.167 861 HD2 LYS 109 1HD LYS 109 9.335 -18.872 4.063 862 HD3 LYS 109 2HD LYS 109 7.801 -19.109 4.904 863 HE2 LYS 109 1HE LYS 109 7.907 -16.879 3.904 864 HE3 LYS 109 2HE LYS 109 7.845 -16.774 5.663 865 HZ1 LYS 109 3HZ LYS 109 10.205 -16.343 5.703 866 HZ2 LYS 109 1HZ LYS 109 9.447 -15.234 4.676 867 HZ3 LYS 109 2HZ LYS 109 10.312 -16.533 4.028 868 H ASN 110 H ASN 110 12.383 -22.396 8.463 869 HA ASN 110 HA ASN 110 14.561 -20.543 7.853 870 HB2 ASN 110 1HB ASN 110 14.561 -21.722 10.028 871 HB3 ASN 110 2HB ASN 110 14.614 -23.276 9.206 872 HD21 ASN 110 2HD2 ASN 110 16.485 -20.402 8.251 873 HD22 ASN 110 1HD2 ASN 110 18.030 -21.069 8.643 Start of MODEL 13 1 HA MET 1 HA MET 1 -7.301 15.151 -7.268 2 H1 MET 1 1H MET 1 -6.131 15.345 -5.205 3 H2 MET 1 2H MET 1 -6.383 16.878 -5.861 4 H3 MET 1 3H MET 1 -4.855 16.166 -5.946 5 HB2 MET 1 1HB MET 1 -6.371 17.338 -8.155 6 HB3 MET 1 2HB MET 1 -4.865 16.513 -8.516 7 HG2 MET 1 1HG MET 1 -5.930 15.169 -10.206 8 HG3 MET 1 2HG MET 1 -7.531 15.727 -9.721 9 HE1 MET 1 3HE MET 1 -7.115 18.859 -9.296 10 HE2 MET 1 1HE MET 1 -8.472 18.173 -10.191 11 HE3 MET 1 2HE MET 1 -7.512 19.471 -10.900 12 H LEU 2 H LEU 2 -6.091 13.442 -5.625 13 HA LEU 2 HA LEU 2 -3.970 11.943 -6.967 14 HG LEU 2 HG LEU 2 -5.959 9.963 -4.524 15 HB2 LEU 2 1HB LEU 2 -3.604 10.796 -4.984 16 HB3 LEU 2 2HB LEU 2 -4.100 12.376 -4.416 17 HD11 LEU 2 1HD1 LEU 2 -5.628 9.764 -2.099 18 HD12 LEU 2 2HD1 LEU 2 -4.392 11.024 -2.162 19 HD13 LEU 2 3HD1 LEU 2 -4.134 9.487 -2.995 20 HD21 LEU 2 3HD2 LEU 2 -7.159 12.098 -4.541 21 HD22 LEU 2 1HD2 LEU 2 -6.281 12.622 -3.100 22 HD23 LEU 2 2HD2 LEU 2 -7.398 11.256 -3.011 23 H GLU 3 H GLU 3 -7.259 11.975 -7.348 24 HA GLU 3 HA GLU 3 -8.024 9.270 -7.075 25 HB2 GLU 3 1HB GLU 3 -10.057 9.825 -8.220 26 HB3 GLU 3 2HB GLU 3 -9.617 11.214 -7.239 27 HG2 GLU 3 1HG GLU 3 -9.200 10.967 -10.234 28 HG3 GLU 3 2HG GLU 3 -10.514 11.838 -9.455 29 H ASP 4 H ASP 4 -6.307 10.919 -9.583 30 HA ASP 4 HA ASP 4 -6.495 9.068 -11.721 31 HB2 ASP 4 1HB ASP 4 -5.667 11.410 -11.934 32 HB3 ASP 4 2HB ASP 4 -4.247 10.995 -10.981 33 H TYR 5 H TYR 5 -4.490 9.214 -8.859 34 HA TYR 5 HA TYR 5 -2.613 7.134 -9.546 35 HD1 TYR 5 HD2 TYR 5 -3.148 10.584 -8.762 36 HD2 TYR 5 HD1 TYR 5 0.254 8.309 -7.514 37 HE1 TYR 5 HE2 TYR 5 -1.664 12.419 -9.442 38 HE2 TYR 5 HE1 TYR 5 1.727 10.146 -8.197 39 HH TYR 5 HH TYR 5 1.718 12.072 -9.696 40 HB2 TYR 5 1HB TYR 5 -3.182 8.559 -6.912 41 HB3 TYR 5 2HB TYR 5 -1.878 7.399 -7.138 42 H ALA 6 H ALA 6 -5.827 6.897 -8.766 43 HA ALA 6 HA ALA 6 -5.829 4.759 -6.849 44 HB1 ALA 6 3HB ALA 6 -7.764 6.278 -7.140 45 HB2 ALA 6 1HB ALA 6 -8.223 4.580 -7.295 46 HB3 ALA 6 2HB ALA 6 -8.061 5.593 -8.736 47 H ILE 7 H ILE 7 -4.897 2.883 -7.364 48 HA ILE 7 HA ILE 7 -5.229 1.704 -10.054 49 HB ILE 7 HB ILE 7 -3.237 0.941 -7.869 50 HG12 ILE 7 1HG1 ILE 7 -2.852 2.677 -10.364 51 HG13 ILE 7 2HG1 ILE 7 -2.765 3.222 -8.698 52 HG21 ILE 7 1HG2 ILE 7 -2.081 -0.344 -9.641 53 HG22 ILE 7 2HG2 ILE 7 -3.354 0.083 -10.789 54 HG23 ILE 7 3HG2 ILE 7 -3.726 -0.930 -9.394 55 HD11 ILE 7 3HD1 ILE 7 -0.572 3.053 -9.672 56 HD12 ILE 7 1HD1 ILE 7 -0.834 1.354 -10.061 57 HD13 ILE 7 2HD1 ILE 7 -0.743 1.871 -8.377 58 H SER 8 H SER 8 -6.226 -0.258 -10.306 59 HA SER 8 HA SER 8 -7.669 -1.408 -7.996 60 HG SER 8 HG SER 8 -9.135 -0.012 -9.082 61 HB2 SER 8 1HB SER 8 -8.128 -1.783 -10.985 62 HB3 SER 8 2HB SER 8 -9.138 -2.439 -9.699 63 H LEU 9 H LEU 9 -7.802 -3.739 -7.795 64 HA LEU 9 HA LEU 9 -5.318 -5.067 -7.881 65 HG LEU 9 HG LEU 9 -6.810 -8.119 -7.827 66 HB2 LEU 9 1HB LEU 9 -6.999 -5.559 -6.195 67 HB3 LEU 9 2HB LEU 9 -8.134 -6.112 -7.411 68 HD11 LEU 9 1HD1 LEU 9 -4.556 -7.266 -7.600 69 HD12 LEU 9 2HD1 LEU 9 -4.768 -8.641 -6.519 70 HD13 LEU 9 3HD1 LEU 9 -4.787 -6.998 -5.869 71 HD21 LEU 9 3HD2 LEU 9 -7.006 -9.241 -5.638 72 HD22 LEU 9 1HD2 LEU 9 -8.413 -8.232 -5.971 73 HD23 LEU 9 2HD2 LEU 9 -7.175 -7.675 -4.841 74 H GLU 10 H GLU 10 -8.002 -5.108 -10.131 75 HA GLU 10 HA GLU 10 -7.320 -7.347 -11.711 76 HB2 GLU 10 1HB GLU 10 -8.808 -6.322 -13.430 77 HB3 GLU 10 2HB GLU 10 -9.537 -6.343 -11.829 78 HG2 GLU 10 1HG GLU 10 -9.083 -3.974 -11.519 79 HG3 GLU 10 2HG GLU 10 -8.171 -3.907 -13.024 80 H GLU 11 H GLU 11 -5.954 -4.126 -11.664 81 HA GLU 11 HA GLU 11 -4.678 -4.483 -14.331 82 HB2 GLU 11 1HB GLU 11 -4.632 -1.991 -14.461 83 HB3 GLU 11 2HB GLU 11 -6.268 -2.633 -14.347 84 HG2 GLU 11 1HG GLU 11 -6.440 -2.008 -12.024 85 HG3 GLU 11 2HG GLU 11 -4.733 -1.581 -11.953 86 H VAL 12 H VAL 12 -3.986 -4.333 -11.016 87 HA VAL 12 HA VAL 12 -1.667 -2.646 -11.049 88 HB VAL 12 HB VAL 12 -3.125 -2.986 -9.035 89 HG11 VAL 12 1HG1 VAL 12 -1.785 -5.702 -8.789 90 HG12 VAL 12 2HG1 VAL 12 -3.481 -5.408 -9.176 91 HG13 VAL 12 3HG1 VAL 12 -2.849 -4.949 -7.597 92 HG21 VAL 12 3HG2 VAL 12 -1.308 -2.970 -7.359 93 HG22 VAL 12 1HG2 VAL 12 -0.904 -1.990 -8.770 94 HG23 VAL 12 2HG2 VAL 12 -0.179 -3.587 -8.569 95 H ASN 13 H ASN 13 0.517 -3.209 -10.874 96 HA ASN 13 HA ASN 13 1.289 -6.075 -10.836 97 HB2 ASN 13 1HB ASN 13 2.573 -3.812 -12.441 98 HB3 ASN 13 2HB ASN 13 3.366 -5.352 -12.148 99 HD21 ASN 13 2HD2 ASN 13 0.729 -3.750 -13.810 100 HD22 ASN 13 1HD2 ASN 13 0.434 -5.018 -14.948 101 H PHE 14 H PHE 14 1.709 -6.152 -8.640 102 HA PHE 14 HA PHE 14 2.629 -4.006 -7.075 103 HD1 PHE 14 HD1 PHE 14 1.159 -3.901 -5.202 104 HD2 PHE 14 HD2 PHE 14 0.659 -7.945 -6.465 105 HE1 PHE 14 HE1 PHE 14 -1.218 -3.791 -4.627 106 HE2 PHE 14 HE2 PHE 14 -1.730 -7.823 -5.888 107 HZ PHE 14 HZ PHE 14 -2.671 -5.746 -4.969 108 HB2 PHE 14 1HB PHE 14 2.827 -6.991 -6.502 109 HB3 PHE 14 2HB PHE 14 3.119 -5.729 -5.310 110 H ASN 15 H ASN 15 4.402 -6.509 -8.774 111 HA ASN 15 HA ASN 15 6.992 -6.079 -7.749 112 HB2 ASN 15 1HB ASN 15 7.796 -7.277 -9.769 113 HB3 ASN 15 2HB ASN 15 6.453 -8.111 -8.998 114 HD21 ASN 15 2HD2 ASN 15 7.498 -8.108 -11.804 115 HD22 ASN 15 1HD2 ASN 15 6.120 -7.787 -12.795 116 H ASP 16 H ASP 16 5.141 -4.226 -10.020 117 HA ASP 16 HA ASP 16 7.254 -2.865 -11.383 118 HB2 ASP 16 1HB ASP 16 4.965 -3.039 -12.337 119 HB3 ASP 16 2HB ASP 16 4.332 -2.095 -11.002 120 H PHE 17 H PHE 17 5.499 -2.277 -8.370 121 HA PHE 17 HA PHE 17 6.858 0.352 -8.007 122 HD1 PHE 17 HD1 PHE 17 3.030 -1.775 -7.755 123 HD2 PHE 17 HD2 PHE 17 4.310 2.126 -8.906 124 HE1 PHE 17 HE1 PHE 17 1.348 -1.742 -9.543 125 HE2 PHE 17 HE2 PHE 17 2.639 2.154 -10.689 126 HZ PHE 17 HZ PHE 17 1.161 0.200 -11.025 127 HB2 PHE 17 1HB PHE 17 4.485 -0.436 -6.290 128 HB3 PHE 17 2HB PHE 17 5.033 1.156 -6.764 129 H ILE 18 H ILE 18 7.596 0.841 -5.794 130 HA ILE 18 HA ILE 18 8.201 -1.447 -4.062 131 HB ILE 18 HB ILE 18 8.750 1.531 -3.591 132 HG12 ILE 18 1HG1 ILE 18 10.670 -0.661 -4.543 133 HG13 ILE 18 2HG1 ILE 18 10.038 0.643 -5.541 134 HG21 ILE 18 1HG2 ILE 18 10.264 0.769 -1.773 135 HG22 ILE 18 2HG2 ILE 18 9.787 -0.904 -2.067 136 HG23 ILE 18 3HG2 ILE 18 8.601 0.261 -1.475 137 HD11 ILE 18 3HD1 ILE 18 12.296 1.117 -4.895 138 HD12 ILE 18 1HD1 ILE 18 11.903 0.917 -3.188 139 HD13 ILE 18 2HD1 ILE 18 11.219 2.265 -4.100 140 H VAL 19 H VAL 19 6.567 -2.157 -2.809 141 HA VAL 19 HA VAL 19 4.169 -0.470 -2.594 142 HB VAL 19 HB VAL 19 4.533 -3.461 -2.034 143 HG11 VAL 19 1HG1 VAL 19 2.071 -3.612 -2.254 144 HG12 VAL 19 2HG1 VAL 19 1.979 -1.854 -2.404 145 HG13 VAL 19 3HG1 VAL 19 2.548 -2.582 -0.902 146 HG21 VAL 19 3HG2 VAL 19 3.494 -3.838 -4.251 147 HG22 VAL 19 1HG2 VAL 19 5.008 -2.944 -4.397 148 HG23 VAL 19 2HG2 VAL 19 3.466 -2.096 -4.543 149 H VAL 20 H VAL 20 3.079 -0.193 -0.597 150 HA VAL 20 HA VAL 20 4.488 -0.898 1.905 151 HB VAL 20 HB VAL 20 3.080 1.755 1.292 152 HG11 VAL 20 1HG1 VAL 20 3.630 2.457 3.603 153 HG12 VAL 20 2HG1 VAL 20 4.255 0.842 3.949 154 HG13 VAL 20 3HG1 VAL 20 2.544 1.068 3.589 155 HG21 VAL 20 3HG2 VAL 20 5.260 2.815 1.723 156 HG22 VAL 20 1HG2 VAL 20 5.384 1.646 0.411 157 HG23 VAL 20 2HG2 VAL 20 5.993 1.238 2.013 158 H ASP 21 H ASP 21 3.191 -2.005 3.271 159 HA ASP 21 HA ASP 21 0.324 -2.227 2.765 160 HB2 ASP 21 1HB ASP 21 2.050 -4.129 3.572 161 HB3 ASP 21 2HB ASP 21 1.669 -3.509 5.173 162 H VAL 22 H VAL 22 -0.837 -0.489 3.485 163 HA VAL 22 HA VAL 22 0.050 1.002 5.878 164 HB VAL 22 HB VAL 22 -1.708 2.722 5.123 165 HG11 VAL 22 1HG1 VAL 22 -0.230 3.666 3.360 166 HG12 VAL 22 2HG1 VAL 22 0.607 2.115 3.237 167 HG13 VAL 22 3HG1 VAL 22 0.695 3.047 4.730 168 HG21 VAL 22 3HG2 VAL 22 -2.460 2.640 2.761 169 HG22 VAL 22 1HG2 VAL 22 -3.068 1.248 3.666 170 HG23 VAL 22 2HG2 VAL 22 -1.701 1.057 2.564 171 H ARG 23 H ARG 23 -0.598 -0.648 7.363 172 HA ARG 23 HA ARG 23 -3.347 -0.301 8.277 173 HE ARG 23 HE ARG 23 -2.643 -4.310 5.579 174 HB2 ARG 23 1HB ARG 23 -2.324 -3.064 7.535 175 HB3 ARG 23 2HB ARG 23 -3.723 -2.798 8.563 176 HG2 ARG 23 1HG ARG 23 -4.882 -1.689 6.673 177 HG3 ARG 23 2HG ARG 23 -3.471 -1.972 5.648 178 HD2 ARG 23 1HD ARG 23 -5.120 -4.152 6.974 179 HD3 ARG 23 2HD ARG 23 -5.300 -3.622 5.301 180 HH11 ARG 23 1HH1 ARG 23 -5.602 -6.112 6.140 181 HH12 ARG 23 2HH1 ARG 23 -4.945 -7.591 5.528 182 HH21 ARG 23 1HH2 ARG 23 -1.795 -6.229 4.800 183 HH22 ARG 23 2HH2 ARG 23 -2.781 -7.660 4.764 184 H GLU 24 H GLU 24 -1.135 -2.997 9.244 185 HA GLU 24 HA GLU 24 -0.455 -1.809 11.792 186 HB2 GLU 24 1HB GLU 24 -2.800 -3.730 11.613 187 HB3 GLU 24 2HB GLU 24 -1.826 -3.683 13.075 188 HG2 GLU 24 1HG GLU 24 -2.396 -1.313 13.398 189 HG3 GLU 24 2HG GLU 24 -3.319 -1.311 11.900 190 H LEU 25 H LEU 25 0.670 -3.375 13.281 191 HA LEU 25 HA LEU 25 2.567 -4.994 11.994 192 HG LEU 25 HG LEU 25 2.805 -7.175 14.390 193 HB2 LEU 25 1HB LEU 25 3.042 -4.140 14.204 194 HB3 LEU 25 2HB LEU 25 1.651 -4.964 14.881 195 HD11 LEU 25 1HD1 LEU 25 5.206 -7.227 13.965 196 HD12 LEU 25 2HD1 LEU 25 5.246 -5.466 13.831 197 HD13 LEU 25 3HD1 LEU 25 4.360 -6.424 12.642 198 HD21 LEU 25 3HD2 LEU 25 2.808 -6.243 16.655 199 HD22 LEU 25 1HD2 LEU 25 4.260 -5.304 16.291 200 HD23 LEU 25 2HD2 LEU 25 4.328 -7.068 16.326 201 H ASP 26 H ASP 26 -0.462 -5.907 13.631 202 HA ASP 26 HA ASP 26 -0.071 -8.672 13.767 203 HB2 ASP 26 1HB ASP 26 -1.769 -7.471 15.087 204 HB3 ASP 26 2HB ASP 26 -2.690 -7.131 13.631 205 H GLU 27 H GLU 27 -1.657 -6.743 11.198 206 HA GLU 27 HA GLU 27 -2.425 -8.998 9.622 207 HB2 GLU 27 1HB GLU 27 -2.802 -7.360 7.772 208 HB3 GLU 27 2HB GLU 27 -3.617 -6.955 9.269 209 HG2 GLU 27 1HG GLU 27 -2.873 -4.904 8.515 210 HG3 GLU 27 2HG GLU 27 -1.661 -5.355 9.705 211 H TYR 28 H TYR 28 0.415 -6.858 9.573 212 HA TYR 28 HA TYR 28 1.746 -7.818 7.313 213 HD1 TYR 28 HD2 TYR 28 4.125 -6.090 6.516 214 HD2 TYR 28 HD1 TYR 28 4.864 -7.723 10.399 215 HE1 TYR 28 HE2 TYR 28 6.524 -6.279 5.994 216 HE2 TYR 28 HE1 TYR 28 7.248 -7.909 9.866 217 HH TYR 28 HH TYR 28 8.698 -8.070 7.961 218 HB2 TYR 28 1HB TYR 28 2.467 -5.812 8.423 219 HB3 TYR 28 2HB TYR 28 2.736 -6.654 9.937 220 H GLU 29 H GLU 29 1.563 -9.123 10.542 221 HA GLU 29 HA GLU 29 3.577 -11.124 10.290 222 HB2 GLU 29 1HB GLU 29 1.269 -10.903 12.264 223 HB3 GLU 29 2HB GLU 29 2.628 -12.002 12.410 224 HG2 GLU 29 1HG GLU 29 2.852 -8.982 12.442 225 HG3 GLU 29 2HG GLU 29 2.787 -10.002 13.873 226 H GLU 30 H GLU 30 -0.010 -11.154 9.841 227 HA GLU 30 HA GLU 30 -0.019 -14.044 9.502 228 HB2 GLU 30 1HB GLU 30 -2.429 -13.871 9.120 229 HB3 GLU 30 2HB GLU 30 -1.952 -12.987 10.565 230 HG2 GLU 30 1HG GLU 30 -2.149 -10.872 9.387 231 HG3 GLU 30 2HG GLU 30 -2.492 -11.710 7.876 232 H LEU 31 H LEU 31 -0.436 -11.251 7.287 233 HA LEU 31 HA LEU 31 0.870 -12.640 5.166 234 HG LEU 31 HG LEU 31 -1.965 -10.728 3.636 235 HB2 LEU 31 1HB LEU 31 -0.792 -12.960 3.578 236 HB3 LEU 31 2HB LEU 31 -1.632 -13.416 5.042 237 HD11 LEU 31 1HD1 LEU 31 -4.111 -11.559 2.814 238 HD12 LEU 31 2HD1 LEU 31 -3.806 -13.134 3.551 239 HD13 LEU 31 3HD1 LEU 31 -2.786 -12.564 2.226 240 HD21 LEU 31 3HD2 LEU 31 -3.616 -11.940 5.878 241 HD22 LEU 31 1HD2 LEU 31 -3.943 -10.414 5.052 242 HD23 LEU 31 2HD2 LEU 31 -2.491 -10.589 6.036 243 H HIS 32 H HIS 32 1.698 -11.262 3.631 244 HA HIS 32 HA HIS 32 0.575 -8.736 2.961 245 HD1 HIS 32 HD1 HIS 32 3.699 -10.368 5.355 246 HD2 HIS 32 HD2 HIS 32 4.845 -6.835 3.487 247 HE1 HIS 32 HE1 HIS 32 6.203 -10.412 5.261 248 HE2 HIS 32 HE2 HIS 32 6.862 -8.322 4.051 249 HB2 HIS 32 1HB HIS 32 2.194 -7.192 3.801 250 HB3 HIS 32 2HB HIS 32 1.823 -8.227 5.178 251 H LEU 33 H LEU 33 1.901 -7.659 1.269 252 HA LEU 33 HA LEU 33 2.890 -9.492 -0.672 253 HG LEU 33 HG LEU 33 0.681 -7.749 -0.972 254 HB2 LEU 33 1HB LEU 33 2.884 -6.468 -0.483 255 HB3 LEU 33 2HB LEU 33 3.544 -7.303 -1.877 256 HD11 LEU 33 1HD1 LEU 33 1.650 -5.655 -2.931 257 HD12 LEU 33 2HD1 LEU 33 0.913 -5.360 -1.355 258 HD13 LEU 33 3HD1 LEU 33 -0.036 -6.098 -2.641 259 HD21 LEU 33 3HD2 LEU 33 1.617 -9.437 -2.515 260 HD22 LEU 33 1HD2 LEU 33 2.042 -8.163 -3.664 261 HD23 LEU 33 2HD2 LEU 33 0.349 -8.495 -3.294 262 HA PRO 34 HA PRO 34 7.139 -10.060 0.356 263 HB2 PRO 34 1HB PRO 34 7.968 -9.601 -2.482 264 HB3 PRO 34 2HB PRO 34 8.116 -11.065 -1.495 265 HG2 PRO 34 1HG PRO 34 6.323 -10.863 -3.498 266 HG3 PRO 34 2HG PRO 34 5.999 -11.809 -2.029 267 HD2 PRO 34 1HD PRO 34 4.965 -9.101 -2.820 268 HD3 PRO 34 2HD PRO 34 4.148 -10.418 -1.950 269 H ASN 35 H ASN 35 6.536 -7.362 -1.809 270 HA ASN 35 HA ASN 35 8.881 -5.849 -0.838 271 HB2 ASN 35 1HB ASN 35 8.605 -4.517 -2.905 272 HB3 ASN 35 2HB ASN 35 8.768 -6.232 -3.274 273 HD21 ASN 35 2HD2 ASN 35 7.579 -4.067 -4.844 274 HD22 ASN 35 1HD2 ASN 35 5.969 -4.571 -5.181 275 H ALA 36 H ALA 36 5.934 -6.175 0.274 276 HA ALA 36 HA ALA 36 5.093 -3.395 0.480 277 HB1 ALA 36 3HB ALA 36 4.003 -5.836 1.918 278 HB2 ALA 36 1HB ALA 36 3.359 -5.117 0.443 279 HB3 ALA 36 2HB ALA 36 3.296 -4.216 1.960 280 H THR 37 H THR 37 5.909 -2.014 1.876 281 HA THR 37 HA THR 37 7.582 -2.768 4.132 282 HB THR 37 HB THR 37 6.685 -0.025 3.115 283 HG1 THR 37 HG1 THR 37 7.993 -1.359 1.656 284 HG21 THR 37 3HG2 THR 37 8.956 -0.730 5.021 285 HG22 THR 37 1HG2 THR 37 7.461 0.107 5.456 286 HG23 THR 37 2HG2 THR 37 8.617 0.873 4.369 287 H LEU 38 H LEU 38 6.880 -2.789 6.270 288 HA LEU 38 HA LEU 38 4.086 -2.453 6.865 289 HG LEU 38 HG LEU 38 4.687 -1.955 10.077 290 HB2 LEU 38 1HB LEU 38 5.322 -4.159 8.066 291 HB3 LEU 38 2HB LEU 38 6.455 -2.971 8.687 292 HD11 LEU 38 1HD1 LEU 38 2.826 -4.064 8.940 293 HD12 LEU 38 2HD1 LEU 38 2.730 -2.320 8.681 294 HD13 LEU 38 3HD1 LEU 38 2.453 -2.986 10.287 295 HD21 LEU 38 3HD2 LEU 38 6.003 -3.774 11.064 296 HD22 LEU 38 1HD2 LEU 38 4.836 -4.961 10.475 297 HD23 LEU 38 2HD2 LEU 38 4.359 -3.778 11.694 298 H ILE 39 H ILE 39 3.352 -0.435 6.735 299 HA ILE 39 HA ILE 39 4.230 1.428 8.867 300 HB ILE 39 HB ILE 39 3.433 2.271 6.028 301 HG12 ILE 39 1HG1 ILE 39 6.096 2.679 7.482 302 HG13 ILE 39 2HG1 ILE 39 5.805 1.469 6.243 303 HG21 ILE 39 1HG2 ILE 39 3.788 4.610 6.775 304 HG22 ILE 39 2HG2 ILE 39 4.072 4.049 8.422 305 HG23 ILE 39 3HG2 ILE 39 2.488 3.836 7.676 306 HD11 ILE 39 3HD1 ILE 39 5.790 4.458 5.880 307 HD12 ILE 39 1HD1 ILE 39 5.391 3.288 4.617 308 HD13 ILE 39 2HD1 ILE 39 7.008 3.317 5.318 309 H SER 40 H SER 40 2.468 2.314 9.961 310 HA SER 40 HA SER 40 -0.177 1.222 9.320 311 HG SER 40 HG SER 40 0.222 0.115 11.323 312 HB2 SER 40 1HB SER 40 0.759 2.874 11.689 313 HB3 SER 40 2HB SER 40 -0.862 2.202 11.495 314 H VAL 41 H VAL 41 -1.888 2.404 8.646 315 HA VAL 41 HA VAL 41 -1.581 4.639 7.038 316 HB VAL 41 HB VAL 41 -3.459 3.094 6.810 317 HG11 VAL 41 1HG1 VAL 41 -4.553 4.215 9.416 318 HG12 VAL 41 2HG1 VAL 41 -3.889 2.599 9.172 319 HG13 VAL 41 3HG1 VAL 41 -5.377 3.069 8.354 320 HG21 VAL 41 3HG2 VAL 41 -3.774 5.329 5.839 321 HG22 VAL 41 1HG2 VAL 41 -4.461 5.923 7.354 322 HG23 VAL 41 2HG2 VAL 41 -5.315 4.697 6.415 323 H ASN 42 H ASN 42 -2.220 4.533 10.494 324 HA ASN 42 HA ASN 42 -3.035 7.294 10.742 325 HB2 ASN 42 1HB ASN 42 -3.089 6.885 13.150 326 HB3 ASN 42 2HB ASN 42 -3.880 5.563 12.305 327 HD21 ASN 42 2HD2 ASN 42 -2.887 3.508 12.310 328 HD22 ASN 42 1HD2 ASN 42 -1.610 3.103 13.405 329 H ASP 43 H ASP 43 0.001 5.557 10.890 330 HA ASP 43 HA ASP 43 1.517 7.647 12.184 331 HB2 ASP 43 1HB ASP 43 2.346 5.084 10.768 332 HB3 ASP 43 2HB ASP 43 3.522 6.226 11.401 333 H GLN 44 H GLN 44 1.025 9.488 10.895 334 HA GLN 44 HA GLN 44 1.551 9.635 8.093 335 HB2 GLN 44 1HB GLN 44 1.011 11.691 10.241 336 HB3 GLN 44 2HB GLN 44 1.683 12.249 8.715 337 HG2 GLN 44 1HG GLN 44 -0.694 12.508 8.626 338 HG3 GLN 44 2HG GLN 44 -0.223 11.238 7.507 339 HE21 GLN 44 2HE2 GLN 44 -0.805 9.080 7.987 340 HE22 GLN 44 1HE2 GLN 44 -2.035 8.711 9.139 341 H GLU 45 H GLU 45 3.514 10.358 10.954 342 HA GLU 45 HA GLU 45 5.666 11.561 9.523 343 HB2 GLU 45 1HB GLU 45 6.938 11.204 11.760 344 HB3 GLU 45 2HB GLU 45 5.550 12.279 11.735 345 HG2 GLU 45 1HG GLU 45 5.410 11.010 13.741 346 HG3 GLU 45 2HG GLU 45 4.152 10.423 12.655 347 H LYS 46 H LYS 46 5.011 8.226 10.462 348 HA LYS 46 HA LYS 46 7.592 7.175 9.714 349 HB2 LYS 46 1HB LYS 46 6.213 5.974 11.336 350 HB3 LYS 46 2HB LYS 46 4.901 5.841 10.182 351 HG2 LYS 46 1HG LYS 46 5.874 3.686 10.338 352 HG3 LYS 46 2HG LYS 46 6.378 4.333 8.785 353 HD2 LYS 46 1HD LYS 46 8.204 4.551 11.194 354 HD3 LYS 46 2HD LYS 46 8.104 3.042 10.291 355 HE2 LYS 46 1HE LYS 46 8.874 4.142 8.270 356 HE3 LYS 46 2HE LYS 46 8.844 5.717 9.063 357 HZ1 LYS 46 3HZ LYS 46 10.576 4.958 10.561 358 HZ2 LYS 46 1HZ LYS 46 11.077 4.826 8.953 359 HZ3 LYS 46 2HZ LYS 46 10.605 3.445 9.807 360 H LEU 47 H LEU 47 4.456 7.584 8.152 361 HA LEU 47 HA LEU 47 5.036 6.082 5.797 362 HG LEU 47 HG LEU 47 3.105 7.625 3.797 363 HB2 LEU 47 1HB LEU 47 2.749 6.646 6.661 364 HB3 LEU 47 2HB LEU 47 3.010 8.307 6.169 365 HD11 LEU 47 1HD1 LEU 47 2.568 5.312 3.109 366 HD12 LEU 47 2HD1 LEU 47 2.612 4.795 4.796 367 HD13 LEU 47 3HD1 LEU 47 4.079 5.387 4.012 368 HD21 LEU 47 3HD2 LEU 47 0.668 6.531 5.244 369 HD22 LEU 47 1HD2 LEU 47 0.748 6.966 3.535 370 HD23 LEU 47 2HD2 LEU 47 0.928 8.211 4.767 371 H ALA 48 H ALA 48 5.086 9.505 6.575 372 HA ALA 48 HA ALA 48 6.034 10.497 4.085 373 HB1 ALA 48 3HB ALA 48 6.079 11.756 6.845 374 HB2 ALA 48 1HB ALA 48 4.760 11.865 5.676 375 HB3 ALA 48 2HB ALA 48 6.320 12.604 5.315 376 H ASP 49 H ASP 49 7.594 9.293 7.017 377 HA ASP 49 HA ASP 49 10.250 10.130 6.587 378 HB2 ASP 49 1HB ASP 49 9.646 9.106 8.714 379 HB3 ASP 49 2HB ASP 49 9.144 7.618 7.917 380 H PHE 50 H PHE 50 8.601 7.117 5.645 381 HA PHE 50 HA PHE 50 10.680 5.874 4.246 382 HD1 PHE 50 HD2 PHE 50 10.396 3.112 4.064 383 HD2 PHE 50 HD1 PHE 50 7.487 4.899 1.480 384 HE1 PHE 50 HE2 PHE 50 10.868 1.413 2.343 385 HE2 PHE 50 HE1 PHE 50 7.972 3.196 -0.231 386 HZ PHE 50 HZ PHE 50 9.664 1.460 0.197 387 HB2 PHE 50 1HB PHE 50 8.601 4.706 4.932 388 HB3 PHE 50 2HB PHE 50 7.679 5.649 3.769 389 H LEU 51 H LEU 51 8.080 7.983 3.063 390 HA LEU 51 HA LEU 51 8.793 7.970 0.322 391 HG LEU 51 HG LEU 51 6.104 7.875 2.017 392 HB2 LEU 51 1HB LEU 51 7.263 10.077 1.893 393 HB3 LEU 51 2HB LEU 51 7.308 9.951 0.141 394 HD11 LEU 51 1HD1 LEU 51 3.930 8.581 1.141 395 HD12 LEU 51 2HD1 LEU 51 4.710 9.848 0.190 396 HD13 LEU 51 3HD1 LEU 51 4.756 9.911 1.953 397 HD21 LEU 51 3HD2 LEU 51 5.228 6.782 0.002 398 HD22 LEU 51 1HD2 LEU 51 6.990 6.813 -0.012 399 HD23 LEU 51 2HD2 LEU 51 6.081 7.943 -1.020 400 H SER 52 H SER 52 9.861 9.922 3.034 401 HA SER 52 HA SER 52 11.206 11.973 1.568 402 HG SER 52 HG SER 52 12.024 13.560 4.463 403 HB2 SER 52 1HB SER 52 10.388 12.311 3.877 404 HB3 SER 52 2HB SER 52 11.543 11.122 4.469 405 H GLN 53 H GLN 53 12.151 8.803 2.795 406 HA GLN 53 HA GLN 53 14.922 8.966 2.931 407 HB2 GLN 53 1HB GLN 53 13.238 6.601 2.016 408 HB3 GLN 53 2HB GLN 53 14.945 6.491 2.443 409 HG2 GLN 53 1HG GLN 53 12.669 7.238 4.300 410 HG3 GLN 53 2HG GLN 53 13.535 5.707 4.270 411 HE21 GLN 53 2HE2 GLN 53 13.195 7.718 6.429 412 HE22 GLN 53 1HE2 GLN 53 14.796 8.120 6.937 413 H HIS 54 H HIS 54 12.869 8.420 0.139 414 HA HIS 54 HA HIS 54 14.882 9.521 -1.633 415 HD1 HIS 54 HD1 HIS 54 15.524 5.118 -1.332 416 HD2 HIS 54 HD2 HIS 54 17.113 8.663 -2.816 417 HE1 HIS 54 HE1 HIS 54 18.014 4.854 -1.195 418 HE2 HIS 54 HE2 HIS 54 18.952 6.947 -2.229 419 HB2 HIS 54 1HB HIS 54 13.737 6.720 -2.013 420 HB3 HIS 54 2HB HIS 54 14.250 7.673 -3.408 421 H LYS 55 H LYS 55 13.619 11.287 -1.851 422 HA LYS 55 HA LYS 55 10.867 11.240 -2.694 423 HB2 LYS 55 1HB LYS 55 12.957 13.407 -2.312 424 HB3 LYS 55 2HB LYS 55 11.438 13.778 -3.114 425 HG2 LYS 55 1HG LYS 55 11.667 12.617 -0.321 426 HG3 LYS 55 2HG LYS 55 11.436 14.327 -0.686 427 HD2 LYS 55 1HD LYS 55 9.495 12.153 -1.561 428 HD3 LYS 55 2HD LYS 55 9.332 13.048 -0.056 429 HE2 LYS 55 1HE LYS 55 7.860 14.090 -1.627 430 HE3 LYS 55 2HE LYS 55 9.233 15.175 -1.449 431 HZ1 LYS 55 3HZ LYS 55 10.106 14.380 -3.541 432 HZ2 LYS 55 1HZ LYS 55 8.521 14.923 -3.751 433 HZ3 LYS 55 2HZ LYS 55 8.843 13.264 -3.693 434 H ASP 56 H ASP 56 11.569 9.643 -4.402 435 HA ASP 56 HA ASP 56 11.655 10.844 -6.994 436 HB2 ASP 56 1HB ASP 56 13.805 9.680 -7.735 437 HB3 ASP 56 2HB ASP 56 14.014 11.059 -6.668 438 H LYS 57 H LYS 57 11.690 7.896 -5.014 439 HA LYS 57 HA LYS 57 11.334 6.180 -7.337 440 HB2 LYS 57 1HB LYS 57 11.656 4.299 -5.982 441 HB3 LYS 57 2HB LYS 57 12.679 5.506 -5.231 442 HG2 LYS 57 1HG LYS 57 9.891 4.860 -4.218 443 HG3 LYS 57 2HG LYS 57 11.336 4.012 -3.670 444 HD2 LYS 57 1HD LYS 57 12.271 6.020 -2.769 445 HD3 LYS 57 2HD LYS 57 11.013 7.011 -3.499 446 HE2 LYS 57 1HE LYS 57 9.364 6.149 -1.988 447 HE3 LYS 57 2HE LYS 57 10.486 4.940 -1.354 448 HZ1 LYS 57 3HZ LYS 57 11.824 6.701 -0.459 449 HZ2 LYS 57 1HZ LYS 57 10.238 6.847 0.097 450 HZ3 LYS 57 2HZ LYS 57 10.800 7.877 -1.124 451 H LYS 58 H LYS 58 9.604 4.511 -7.338 452 HA LYS 58 HA LYS 58 7.011 5.848 -7.167 453 HB2 LYS 58 1HB LYS 58 7.966 4.756 -9.263 454 HB3 LYS 58 2HB LYS 58 7.671 3.199 -8.485 455 HG2 LYS 58 1HG LYS 58 5.323 3.518 -8.494 456 HG3 LYS 58 2HG LYS 58 5.469 5.241 -8.852 457 HD2 LYS 58 1HD LYS 58 4.767 3.984 -10.842 458 HD3 LYS 58 2HD LYS 58 6.345 4.735 -11.071 459 HE2 LYS 58 1HE LYS 58 7.453 2.572 -10.666 460 HE3 LYS 58 2HE LYS 58 5.890 1.812 -10.368 461 HZ1 LYS 58 3HZ LYS 58 6.634 1.349 -12.589 462 HZ2 LYS 58 1HZ LYS 58 6.801 3.001 -12.931 463 HZ3 LYS 58 2HZ LYS 58 5.269 2.341 -12.657 464 H VAL 59 H VAL 59 5.680 5.398 -5.477 465 HA VAL 59 HA VAL 59 5.965 2.822 -4.024 466 HB VAL 59 HB VAL 59 5.187 5.536 -2.860 467 HG11 VAL 59 1HG1 VAL 59 5.274 4.433 -0.647 468 HG12 VAL 59 2HG1 VAL 59 5.564 2.874 -1.429 469 HG13 VAL 59 3HG1 VAL 59 4.033 3.715 -1.675 470 HG21 VAL 59 3HG2 VAL 59 7.577 5.419 -3.392 471 HG22 VAL 59 1HG2 VAL 59 7.731 3.904 -2.498 472 HG23 VAL 59 2HG2 VAL 59 7.339 5.402 -1.647 473 H LEU 60 H LEU 60 4.186 1.673 -3.549 474 HA LEU 60 HA LEU 60 1.517 2.711 -4.364 475 HG LEU 60 HG LEU 60 0.067 0.007 -4.064 476 HB2 LEU 60 1HB LEU 60 2.383 0.899 -5.827 477 HB3 LEU 60 2HB LEU 60 2.585 -0.138 -4.424 478 HD11 LEU 60 1HD1 LEU 60 -0.392 2.045 -5.322 479 HD12 LEU 60 2HD1 LEU 60 -1.333 0.701 -5.960 480 HD13 LEU 60 3HD1 LEU 60 0.100 1.258 -6.827 481 HD21 LEU 60 3HD2 LEU 60 1.114 -1.968 -5.078 482 HD22 LEU 60 1HD2 LEU 60 0.994 -1.228 -6.677 483 HD23 LEU 60 2HD2 LEU 60 -0.468 -1.653 -5.784 484 H LEU 61 H LEU 61 0.639 3.329 -2.389 485 HA LEU 61 HA LEU 61 0.934 1.766 0.030 486 HG LEU 61 HG LEU 61 1.130 5.012 -0.966 487 HB2 LEU 61 1HB LEU 61 -1.051 4.014 -0.494 488 HB3 LEU 61 2HB LEU 61 -0.497 3.434 1.067 489 HD11 LEU 61 1HD1 LEU 61 0.214 5.774 1.822 490 HD12 LEU 61 2HD1 LEU 61 -0.472 6.371 0.312 491 HD13 LEU 61 3HD1 LEU 61 1.191 6.768 0.736 492 HD21 LEU 61 3HD2 LEU 61 2.961 5.013 0.693 493 HD22 LEU 61 1HD2 LEU 61 2.612 3.391 0.095 494 HD23 LEU 61 2HD2 LEU 61 2.048 3.881 1.693 495 H HIS 62 H HIS 62 0.027 -0.279 -0.249 496 HA HIS 62 HA HIS 62 -2.663 -0.520 -1.412 497 HD1 HIS 62 HD1 HIS 62 -2.836 -4.389 -0.111 498 HD2 HIS 62 HD2 HIS 62 1.071 -3.046 0.228 499 HE1 HIS 62 HE1 HIS 62 -1.709 -5.978 1.462 500 HE2 HIS 62 HE2 HIS 62 0.569 -5.004 1.815 501 HB2 HIS 62 1HB HIS 62 -2.171 -2.713 -1.943 502 HB3 HIS 62 2HB HIS 62 -0.538 -2.072 -1.918 503 H CYS 63 H CYS 63 -4.370 -1.510 -0.356 504 HA CYS 63 HA CYS 63 -4.184 -1.821 2.596 505 HG CYS 63 HG CYS 63 -6.324 -0.806 4.392 506 HB2 CYS 63 1HB CYS 63 -5.144 0.369 2.193 507 HB3 CYS 63 2HB CYS 63 -6.285 -0.285 1.018 508 H ARG 64 H ARG 64 -5.769 -3.175 3.527 509 HA ARG 64 HA ARG 64 -6.416 -5.589 2.343 510 HE ARG 64 HE ARG 64 -10.150 -7.853 5.908 511 HB2 ARG 64 1HB ARG 64 -6.422 -5.346 4.724 512 HB3 ARG 64 2HB ARG 64 -7.680 -4.125 4.678 513 HG2 ARG 64 1HG ARG 64 -9.354 -5.765 4.109 514 HG3 ARG 64 2HG ARG 64 -8.126 -7.011 3.865 515 HD2 ARG 64 1HD ARG 64 -7.816 -7.355 6.126 516 HD3 ARG 64 2HD ARG 64 -8.227 -5.699 6.565 517 HH11 ARG 64 1HH1 ARG 64 -9.493 -4.763 7.478 518 HH12 ARG 64 2HH1 ARG 64 -11.085 -4.631 8.146 519 HH21 ARG 64 1HH2 ARG 64 -12.248 -7.632 6.784 520 HH22 ARG 64 2HH2 ARG 64 -12.633 -6.253 7.761 521 H ALA 65 H ALA 65 -8.501 -2.685 2.573 522 HA ALA 65 HA ALA 65 -10.301 -3.892 0.532 523 HB1 ALA 65 3HB ALA 65 -11.460 -3.371 2.651 524 HB2 ALA 65 1HB ALA 65 -12.048 -2.349 1.338 525 HB3 ALA 65 2HB ALA 65 -10.933 -1.693 2.536 526 H GLY 66 H GLY 66 -9.183 -0.664 1.621 527 HA2 GLY 66 1HA GLY 66 -7.767 0.325 -0.418 528 HA3 GLY 66 2HA GLY 66 -9.387 0.413 -1.095 529 H ARG 67 H ARG 67 -10.276 0.843 1.849 530 HA ARG 67 HA ARG 67 -10.646 3.599 1.838 531 HE ARG 67 HE ARG 67 -10.302 5.763 3.940 532 HB2 ARG 67 1HB ARG 67 -12.044 2.131 3.184 533 HB3 ARG 67 2HB ARG 67 -10.668 1.609 4.136 534 HG2 ARG 67 1HG ARG 67 -12.074 3.084 5.443 535 HG3 ARG 67 2HG ARG 67 -10.513 3.849 5.164 536 HD2 ARG 67 1HD ARG 67 -12.847 4.484 3.350 537 HD3 ARG 67 2HD ARG 67 -12.722 5.252 4.933 538 HH11 ARG 67 1HH1 ARG 67 -13.424 6.135 2.367 539 HH12 ARG 67 2HH1 ARG 67 -12.939 7.546 1.486 540 HH21 ARG 67 1HH2 ARG 67 -9.690 7.589 2.803 541 HH22 ARG 67 2HH2 ARG 67 -10.816 8.371 1.736 542 H ARG 68 H ARG 68 -8.206 1.682 3.602 543 HA ARG 68 HA ARG 68 -6.948 4.001 4.790 544 HE ARG 68 HE ARG 68 -8.939 1.392 8.267 545 HB2 ARG 68 1HB ARG 68 -5.888 1.145 4.670 546 HB3 ARG 68 2HB ARG 68 -5.369 2.428 5.767 547 HG2 ARG 68 1HG ARG 68 -8.079 1.068 5.725 548 HG3 ARG 68 2HG ARG 68 -6.818 0.874 6.934 549 HD2 ARG 68 1HD ARG 68 -7.079 3.208 7.634 550 HD3 ARG 68 2HD ARG 68 -8.268 3.485 6.360 551 HH11 ARG 68 1HH1 ARG 68 -9.355 4.778 7.407 552 HH12 ARG 68 2HH1 ARG 68 -10.723 4.998 8.451 553 HH21 ARG 68 1HH2 ARG 68 -10.749 1.691 9.612 554 HH22 ARG 68 2HH2 ARG 68 -11.520 3.246 9.688 555 H ALA 69 H ALA 69 -6.467 2.110 1.908 556 HA ALA 69 HA ALA 69 -3.888 2.986 1.124 557 HB1 ALA 69 3HB ALA 69 -6.271 2.309 -0.648 558 HB2 ALA 69 1HB ALA 69 -5.071 1.161 -0.048 559 HB3 ALA 69 2HB ALA 69 -4.593 2.422 -1.179 560 H LEU 70 H LEU 70 -7.128 4.258 0.471 561 HA LEU 70 HA LEU 70 -6.365 6.600 -0.899 562 HG LEU 70 HG LEU 70 -8.847 8.437 0.056 563 HB2 LEU 70 1HB LEU 70 -8.634 5.595 -1.030 564 HB3 LEU 70 2HB LEU 70 -8.924 6.028 0.647 565 HD11 LEU 70 1HD1 LEU 70 -8.775 9.177 -2.291 566 HD12 LEU 70 2HD1 LEU 70 -8.455 7.521 -2.811 567 HD13 LEU 70 3HD1 LEU 70 -7.275 8.381 -1.818 568 HD21 LEU 70 3HD2 LEU 70 -10.941 8.567 -1.241 569 HD22 LEU 70 1HD2 LEU 70 -11.031 7.305 -0.015 570 HD23 LEU 70 2HD2 LEU 70 -10.772 6.873 -1.708 571 H ASP 71 H ASP 71 -7.215 6.016 2.541 572 HA ASP 71 HA ASP 71 -7.138 8.605 3.559 573 HB2 ASP 71 1HB ASP 71 -6.500 5.921 4.841 574 HB3 ASP 71 2HB ASP 71 -6.465 7.399 5.776 575 H ALA 72 H ALA 72 -4.533 6.216 3.502 576 HA ALA 72 HA ALA 72 -2.475 7.722 4.651 577 HB1 ALA 72 3HB ALA 72 -2.423 5.275 4.432 578 HB2 ALA 72 1HB ALA 72 -0.983 5.995 3.708 579 HB3 ALA 72 2HB ALA 72 -2.294 5.423 2.679 580 H ALA 73 H ALA 73 -3.247 7.129 1.216 581 HA ALA 73 HA ALA 73 -1.072 8.625 0.173 582 HB1 ALA 73 3HB ALA 73 -3.615 7.739 -1.216 583 HB2 ALA 73 1HB ALA 73 -2.126 6.797 -1.071 584 HB3 ALA 73 2HB ALA 73 -2.135 8.291 -2.005 585 H LYS 74 H LYS 74 -4.427 9.526 0.973 586 HA LYS 74 HA LYS 74 -4.508 11.993 -0.434 587 HB2 LYS 74 1HB LYS 74 -6.038 11.228 2.090 588 HB3 LYS 74 2HB LYS 74 -6.291 12.724 1.200 589 HG2 LYS 74 1HG LYS 74 -6.678 10.960 -0.821 590 HG3 LYS 74 2HG LYS 74 -7.132 9.938 0.535 591 HD2 LYS 74 1HD LYS 74 -9.161 10.911 -0.186 592 HD3 LYS 74 2HD LYS 74 -8.719 11.837 1.250 593 HE2 LYS 74 1HE LYS 74 -7.784 13.615 -0.227 594 HE3 LYS 74 2HE LYS 74 -8.283 12.676 -1.640 595 HZ1 LYS 74 3HZ LYS 74 -10.582 12.909 -0.923 596 HZ2 LYS 74 1HZ LYS 74 -9.854 14.422 -1.131 597 HZ3 LYS 74 2HZ LYS 74 -10.097 13.810 0.427 598 H SER 75 H SER 75 -3.856 11.280 2.990 599 HA SER 75 HA SER 75 -3.240 13.783 3.952 600 HG SER 75 HG SER 75 -3.768 10.600 5.303 601 HB2 SER 75 1HB SER 75 -1.833 11.202 4.784 602 HB3 SER 75 2HB SER 75 -2.040 12.662 5.760 603 H MET 76 H MET 76 -1.048 11.446 2.414 604 HA MET 76 HA MET 76 1.342 12.958 2.625 605 HB2 MET 76 1HB MET 76 0.566 10.728 0.706 606 HB3 MET 76 2HB MET 76 2.196 11.385 0.853 607 HG2 MET 76 1HG MET 76 0.646 9.981 3.034 608 HG3 MET 76 2HG MET 76 1.985 9.316 2.100 609 HE1 MET 76 3HE MET 76 2.452 11.242 6.046 610 HE2 MET 76 1HE MET 76 1.607 9.802 5.481 611 HE3 MET 76 2HE MET 76 0.931 11.402 5.166 612 H HIS 77 H HIS 77 -0.960 12.595 -0.096 613 HA HIS 77 HA HIS 77 0.291 14.328 -1.911 614 HD1 HIS 77 HD1 HIS 77 -1.355 13.976 -5.020 615 HD2 HIS 77 HD2 HIS 77 -0.989 10.817 -2.342 616 HE1 HIS 77 HE1 HIS 77 -0.725 11.986 -6.402 617 HE2 HIS 77 HE2 HIS 77 -0.624 10.071 -4.778 618 HB2 HIS 77 1HB HIS 77 -2.503 13.264 -1.636 619 HB3 HIS 77 2HB HIS 77 -2.233 14.581 -2.764 620 H GLU 78 H GLU 78 -1.875 15.045 0.782 621 HA GLU 78 HA GLU 78 -2.301 17.802 0.196 622 HB2 GLU 78 1HB GLU 78 -2.441 16.447 2.920 623 HB3 GLU 78 2HB GLU 78 -3.216 17.958 2.452 624 HG2 GLU 78 1HG GLU 78 -3.899 15.188 1.472 625 HG3 GLU 78 2HG GLU 78 -4.836 16.140 2.583 626 H LEU 79 H LEU 79 0.134 15.985 2.045 627 HA LEU 79 HA LEU 79 1.453 18.243 3.217 628 HG LEU 79 HG LEU 79 0.661 15.311 4.206 629 HB2 LEU 79 1HB LEU 79 2.568 15.465 2.652 630 HB3 LEU 79 2HB LEU 79 3.320 16.667 3.693 631 HD11 LEU 79 1HD1 LEU 79 3.321 14.854 5.563 632 HD12 LEU 79 2HD1 LEU 79 2.504 13.740 4.465 633 HD13 LEU 79 3HD1 LEU 79 1.783 14.122 6.027 634 HD21 LEU 79 3HD2 LEU 79 0.720 16.356 6.426 635 HD22 LEU 79 1HD2 LEU 79 0.678 17.572 5.153 636 HD23 LEU 79 2HD2 LEU 79 2.192 17.224 5.990 637 H GLY 80 H GLY 80 1.658 16.645 0.108 638 HA2 GLY 80 1HA GLY 80 2.558 18.251 -1.645 639 HA3 GLY 80 2HA GLY 80 4.028 18.260 -0.686 640 H TYR 81 H TYR 81 3.172 15.207 -0.232 641 HA TYR 81 HA TYR 81 4.998 14.111 -2.168 642 HD1 TYR 81 HD2 TYR 81 6.776 12.347 -0.431 643 HD2 TYR 81 HD1 TYR 81 3.488 13.998 1.727 644 HE1 TYR 81 HE2 TYR 81 8.265 12.813 1.463 645 HE2 TYR 81 HE1 TYR 81 4.973 14.470 3.628 646 HH TYR 81 HH TYR 81 8.377 14.282 3.404 647 HB2 TYR 81 1HB TYR 81 3.099 12.654 -0.282 648 HB3 TYR 81 2HB TYR 81 4.439 11.918 -1.154 649 H THR 82 H THR 82 4.310 12.054 -3.419 650 HA THR 82 HA THR 82 1.573 12.084 -4.470 651 HB THR 82 HB THR 82 2.609 11.826 -6.873 652 HG1 THR 82 HG1 THR 82 4.639 12.872 -7.113 653 HG21 THR 82 3HG2 THR 82 2.743 14.560 -5.559 654 HG22 THR 82 1HG2 THR 82 1.302 13.828 -6.270 655 HG23 THR 82 2HG2 THR 82 2.675 14.255 -7.295 656 HA PRO 83 HA PRO 83 3.249 7.666 -4.210 657 HB2 PRO 83 1HB PRO 83 1.938 6.714 -2.037 658 HB3 PRO 83 2HB PRO 83 3.489 7.554 -1.878 659 HG2 PRO 83 1HG PRO 83 0.696 8.643 -1.483 660 HG3 PRO 83 2HG PRO 83 2.131 8.835 -0.449 661 HD2 PRO 83 1HD PRO 83 1.339 10.751 -2.234 662 HD3 PRO 83 2HD PRO 83 3.039 10.495 -1.798 663 H TYR 84 H TYR 84 2.071 6.051 -5.165 664 HA TYR 84 HA TYR 84 -0.689 6.429 -5.970 665 HD1 TYR 84 HD1 TYR 84 3.085 5.567 -7.002 666 HD2 TYR 84 HD2 TYR 84 -0.663 5.577 -9.058 667 HE1 TYR 84 HE1 TYR 84 4.104 6.795 -8.874 668 HE2 TYR 84 HE2 TYR 84 0.370 6.783 -10.926 669 HH TYR 84 HH TYR 84 2.282 8.268 -11.313 670 HB2 TYR 84 1HB TYR 84 1.196 4.042 -6.305 671 HB3 TYR 84 2HB TYR 84 -0.385 4.200 -7.075 672 H TYR 85 H TYR 85 -2.157 4.374 -5.648 673 HA TYR 85 HA TYR 85 -1.773 3.001 -3.128 674 HD1 TYR 85 HD2 TYR 85 -2.991 6.765 -4.153 675 HD2 TYR 85 HD1 TYR 85 -6.088 4.034 -3.053 676 HE1 TYR 85 HE2 TYR 85 -4.643 8.194 -5.249 677 HE2 TYR 85 HE1 TYR 85 -7.743 5.460 -4.164 678 HH TYR 85 HH TYR 85 -6.839 8.037 -6.235 679 HB2 TYR 85 1HB TYR 85 -3.886 3.791 -2.098 680 HB3 TYR 85 2HB TYR 85 -2.703 5.072 -2.269 681 H LEU 86 H LEU 86 -2.958 1.168 -2.954 682 HA LEU 86 HA LEU 86 -4.360 0.306 -5.405 683 HG LEU 86 HG LEU 86 -2.713 -3.070 -5.248 684 HB2 LEU 86 1HB LEU 86 -2.210 -0.820 -4.877 685 HB3 LEU 86 2HB LEU 86 -2.852 -1.349 -3.341 686 HD11 LEU 86 1HD1 LEU 86 -4.745 -4.258 -4.644 687 HD12 LEU 86 2HD1 LEU 86 -5.407 -2.793 -3.915 688 HD13 LEU 86 3HD1 LEU 86 -3.978 -3.556 -3.221 689 HD21 LEU 86 3HD2 LEU 86 -5.154 -1.614 -6.266 690 HD22 LEU 86 1HD2 LEU 86 -4.515 -3.142 -6.876 691 HD23 LEU 86 2HD2 LEU 86 -3.572 -1.664 -7.048 692 H GLU 87 H GLU 87 -6.428 0.330 -5.178 693 HA GLU 87 HA GLU 87 -7.816 -0.426 -2.701 694 HB2 GLU 87 1HB GLU 87 -8.851 0.562 -5.403 695 HB3 GLU 87 2HB GLU 87 -9.855 0.241 -3.991 696 HG2 GLU 87 1HG GLU 87 -8.684 2.054 -2.772 697 HG3 GLU 87 2HG GLU 87 -7.697 2.361 -4.201 698 H GLY 88 H GLY 88 -7.658 -2.608 -2.473 699 HA2 GLY 88 1HA GLY 88 -9.075 -4.422 -4.125 700 HA3 GLY 88 2HA GLY 88 -7.353 -4.556 -4.463 701 H ASN 89 H ASN 89 -8.888 -6.666 -3.378 702 HA ASN 89 HA ASN 89 -8.678 -6.658 -0.486 703 HB2 ASN 89 1HB ASN 89 -9.742 -8.690 -2.461 704 HB3 ASN 89 2HB ASN 89 -9.618 -9.037 -0.737 705 HD21 ASN 89 2HD2 ASN 89 -10.321 -6.433 0.231 706 HD22 ASN 89 1HD2 ASN 89 -11.997 -6.189 -0.108 707 H VAL 90 H VAL 90 -7.074 -7.365 0.699 708 HA VAL 90 HA VAL 90 -4.574 -8.003 -0.448 709 HB VAL 90 HB VAL 90 -4.800 -6.737 1.663 710 HG11 VAL 90 1HG1 VAL 90 -6.632 -7.967 2.721 711 HG12 VAL 90 2HG1 VAL 90 -5.252 -7.850 3.807 712 HG13 VAL 90 3HG1 VAL 90 -5.583 -9.367 2.968 713 HG21 VAL 90 3HG2 VAL 90 -2.918 -7.744 2.902 714 HG22 VAL 90 1HG2 VAL 90 -2.633 -7.786 1.161 715 HG23 VAL 90 2HG2 VAL 90 -3.123 -9.253 2.009 716 H TYR 91 H TYR 91 -7.035 -10.048 1.014 717 HA TYR 91 HA TYR 91 -5.464 -12.464 1.091 718 HD1 TYR 91 HD2 TYR 91 -6.257 -13.710 3.698 719 HD2 TYR 91 HD1 TYR 91 -8.573 -10.245 2.805 720 HE1 TYR 91 HE2 TYR 91 -6.037 -12.960 6.026 721 HE2 TYR 91 HE1 TYR 91 -8.337 -9.478 5.121 722 HH TYR 91 HH TYR 91 -6.140 -10.929 7.318 723 HB2 TYR 91 1HB TYR 91 -8.498 -12.086 1.207 724 HB3 TYR 91 2HB TYR 91 -7.641 -13.577 1.597 725 H ASP 92 H ASP 92 -7.411 -10.815 -1.259 726 HA ASP 92 HA ASP 92 -7.752 -13.079 -3.043 727 HB2 ASP 92 1HB ASP 92 -8.557 -10.156 -3.253 728 HB3 ASP 92 2HB ASP 92 -8.755 -11.275 -4.603 729 H PHE 93 H PHE 93 -5.274 -10.709 -2.593 730 HA PHE 93 HA PHE 93 -4.209 -10.380 -5.154 731 HD1 PHE 93 HD1 PHE 93 -4.911 -8.546 -4.184 732 HD2 PHE 93 HD2 PHE 93 -1.442 -8.723 -1.715 733 HE1 PHE 93 HE1 PHE 93 -5.318 -6.242 -3.452 734 HE2 PHE 93 HE2 PHE 93 -1.855 -6.428 -0.989 735 HZ PHE 93 HZ PHE 93 -3.787 -5.174 -1.841 736 HB2 PHE 93 1HB PHE 93 -2.663 -10.821 -2.564 737 HB3 PHE 93 2HB PHE 93 -1.952 -10.216 -4.055 738 H GLU 94 H GLU 94 -3.813 -13.022 -2.865 739 HA GLU 94 HA GLU 94 -1.805 -14.473 -4.203 740 HB2 GLU 94 1HB GLU 94 -2.682 -14.516 -1.705 741 HB3 GLU 94 2HB GLU 94 -3.776 -15.761 -2.286 742 HG2 GLU 94 1HG GLU 94 -0.751 -15.890 -2.517 743 HG3 GLU 94 2HG GLU 94 -1.665 -16.582 -1.183 744 H LYS 95 H LYS 95 -5.360 -14.890 -4.103 745 HA LYS 95 HA LYS 95 -5.382 -17.132 -5.907 746 HB2 LYS 95 1HB LYS 95 -7.838 -16.957 -5.826 747 HB3 LYS 95 2HB LYS 95 -7.140 -16.905 -4.213 748 HG2 LYS 95 1HG LYS 95 -7.411 -14.448 -4.190 749 HG3 LYS 95 2HG LYS 95 -8.161 -14.520 -5.782 750 HD2 LYS 95 1HD LYS 95 -9.262 -15.900 -3.299 751 HD3 LYS 95 2HD LYS 95 -9.800 -14.327 -3.886 752 HE2 LYS 95 1HE LYS 95 -10.526 -15.398 -6.011 753 HE3 LYS 95 2HE LYS 95 -10.050 -16.970 -5.366 754 HZ1 LYS 95 3HZ LYS 95 -12.427 -16.560 -5.124 755 HZ2 LYS 95 1HZ LYS 95 -12.119 -15.185 -4.186 756 HZ3 LYS 95 2HZ LYS 95 -11.681 -16.715 -3.614 757 H TYR 96 H TYR 96 -5.411 -13.673 -6.358 758 HA TYR 96 HA TYR 96 -6.238 -13.723 -9.133 759 HD1 TYR 96 HD1 TYR 96 -7.784 -12.483 -6.702 760 HD2 TYR 96 HD2 TYR 96 -6.658 -10.015 -10.000 761 HE1 TYR 96 HE1 TYR 96 -10.082 -11.653 -6.868 762 HE2 TYR 96 HE2 TYR 96 -8.965 -9.181 -10.163 763 HH TYR 96 HH TYR 96 -11.260 -9.981 -9.526 764 HB2 TYR 96 1HB TYR 96 -5.239 -11.605 -7.239 765 HB3 TYR 96 2HB TYR 96 -4.993 -11.305 -8.954 766 H GLY 97 H GLY 97 -3.314 -14.402 -7.438 767 HA2 GLY 97 1HA GLY 97 -1.708 -15.776 -8.621 768 HA3 GLY 97 2HA GLY 97 -1.931 -14.783 -10.058 769 H PHE 98 H PHE 98 -1.885 -12.711 -7.494 770 HA PHE 98 HA PHE 98 0.861 -11.872 -7.891 771 HD1 PHE 98 HD2 PHE 98 0.741 -9.083 -8.585 772 HD2 PHE 98 HD1 PHE 98 -3.145 -10.514 -7.515 773 HE1 PHE 98 HE2 PHE 98 -0.233 -7.836 -10.458 774 HE2 PHE 98 HE1 PHE 98 -4.114 -9.265 -9.403 775 HZ PHE 98 HZ PHE 98 -2.664 -7.926 -10.873 776 HB2 PHE 98 1HB PHE 98 -1.286 -10.812 -5.997 777 HB3 PHE 98 2HB PHE 98 0.266 -10.040 -6.309 778 H ARG 99 H ARG 99 2.515 -12.534 -6.682 779 HA ARG 99 HA ARG 99 2.385 -14.556 -4.749 780 HE ARG 99 HE ARG 99 6.863 -14.186 -2.151 781 HB2 ARG 99 1HB ARG 99 4.415 -14.489 -5.876 782 HB3 ARG 99 2HB ARG 99 4.519 -12.741 -5.844 783 HG2 ARG 99 1HG ARG 99 6.319 -13.681 -4.541 784 HG3 ARG 99 2HG ARG 99 5.205 -12.827 -3.483 785 HD2 ARG 99 1HD ARG 99 4.214 -15.000 -2.807 786 HD3 ARG 99 2HD ARG 99 5.408 -15.832 -3.816 787 HH11 ARG 99 1HH1 ARG 99 4.664 -16.898 -1.682 788 HH12 ARG 99 2HH1 ARG 99 5.363 -17.334 -0.155 789 HH21 ARG 99 1HH2 ARG 99 7.758 -14.783 -0.184 790 HH22 ARG 99 2HH2 ARG 99 7.116 -16.137 0.691 791 H MET 100 H MET 100 2.209 -14.582 -2.636 792 HA MET 100 HA MET 100 2.187 -12.107 -1.015 793 HB2 MET 100 1HB MET 100 0.056 -14.265 -1.140 794 HB3 MET 100 2HB MET 100 0.200 -13.165 0.227 795 HG2 MET 100 1HG MET 100 -0.180 -12.238 -2.616 796 HG3 MET 100 2HG MET 100 -1.490 -12.503 -1.481 797 HE1 MET 100 3HE MET 100 -0.825 -9.799 1.249 798 HE2 MET 100 1HE MET 100 -0.345 -11.495 1.282 799 HE3 MET 100 2HE MET 100 -1.939 -11.040 0.673 800 H VAL 101 H VAL 101 3.260 -12.303 0.871 801 HA VAL 101 HA VAL 101 4.425 -14.884 1.660 802 HB VAL 101 HB VAL 101 4.954 -12.151 2.930 803 HG11 VAL 101 1HG1 VAL 101 6.565 -14.736 2.954 804 HG12 VAL 101 2HG1 VAL 101 5.686 -14.012 4.311 805 HG13 VAL 101 3HG1 VAL 101 7.099 -13.196 3.646 806 HG21 VAL 101 3HG2 VAL 101 5.463 -11.991 0.525 807 HG22 VAL 101 1HG2 VAL 101 6.483 -13.429 0.625 808 HG23 VAL 101 2HG2 VAL 101 6.944 -11.954 1.478 809 H TYR 102 H TYR 102 3.392 -16.060 3.188 810 HA TYR 102 HA TYR 102 1.687 -14.738 5.228 811 HD1 TYR 102 HD1 TYR 102 1.298 -16.490 1.900 812 HD2 TYR 102 HD2 TYR 102 -1.470 -16.239 5.148 813 HE1 TYR 102 HE1 TYR 102 -0.505 -15.934 0.330 814 HE2 TYR 102 HE2 TYR 102 -3.265 -15.681 3.572 815 HH TYR 102 HH TYR 102 -2.994 -16.090 0.251 816 HB2 TYR 102 1HB TYR 102 1.696 -17.627 4.234 817 HB3 TYR 102 2HB TYR 102 0.717 -17.051 5.578 818 H ASP 103 H ASP 103 1.731 -15.811 7.384 819 HA ASP 103 HA ASP 103 2.650 -16.686 9.261 820 HB2 ASP 103 1HB ASP 103 2.755 -18.749 7.768 821 HB3 ASP 103 2HB ASP 103 4.425 -18.340 7.400 822 H ASP 104 H ASP 104 3.720 -14.262 8.165 823 HA ASP 104 HA ASP 104 6.544 -14.089 8.745 824 HB2 ASP 104 1HB ASP 104 4.429 -11.925 8.420 825 HB3 ASP 104 2HB ASP 104 6.151 -11.609 8.581 826 H THR 105 H THR 105 3.893 -14.496 10.681 827 HA THR 105 HA THR 105 4.179 -13.053 12.974 828 HB THR 105 HB THR 105 3.319 -15.112 14.172 829 HG1 THR 105 HG1 THR 105 4.514 -16.630 12.795 830 HG21 THR 105 3HG2 THR 105 1.214 -15.350 12.906 831 HG22 THR 105 1HG2 THR 105 1.954 -14.563 11.510 832 HG23 THR 105 2HG2 THR 105 1.701 -13.658 13.004 833 H CYS 106 H CYS 106 5.973 -12.604 14.066 834 HA CYS 106 HA CYS 106 8.345 -14.239 14.088 835 HG CYS 106 HG CYS 106 7.286 -11.297 12.784 836 HB2 CYS 106 1HB CYS 106 7.741 -11.660 15.589 837 HB3 CYS 106 2HB CYS 106 9.335 -12.365 15.309 838 H ASP 107 H ASP 107 5.557 -14.599 15.702 839 HA ASP 107 HA ASP 107 6.641 -15.488 18.260 840 HB2 ASP 107 1HB ASP 107 4.339 -14.309 17.882 841 HB3 ASP 107 2HB ASP 107 3.788 -15.852 17.229 842 H LYS 108 H LYS 108 5.746 -17.794 18.889 843 HA LYS 108 HA LYS 108 6.927 -19.667 16.941 844 HB2 LYS 108 1HB LYS 108 7.388 -21.087 18.899 845 HB3 LYS 108 2HB LYS 108 8.050 -19.476 19.121 846 HG2 LYS 108 1HG LYS 108 5.385 -19.540 20.287 847 HG3 LYS 108 2HG LYS 108 6.289 -20.931 20.869 848 HD2 LYS 108 1HD LYS 108 6.569 -19.087 22.430 849 HD3 LYS 108 2HD LYS 108 8.109 -19.421 21.639 850 HE2 LYS 108 1HE LYS 108 7.821 -17.495 20.179 851 HE3 LYS 108 2HE LYS 108 6.208 -17.198 20.832 852 HZ1 LYS 108 3HZ LYS 108 7.194 -16.707 22.973 853 HZ2 LYS 108 1HZ LYS 108 7.880 -15.722 21.779 854 HZ3 LYS 108 2HZ LYS 108 8.741 -17.050 22.378 855 H LYS 109 H LYS 109 3.915 -18.827 18.300 856 HA LYS 109 HA LYS 109 2.748 -21.507 18.313 857 HB2 LYS 109 1HB LYS 109 1.535 -18.791 18.982 858 HB3 LYS 109 2HB LYS 109 0.753 -20.349 19.246 859 HG2 LYS 109 1HG LYS 109 2.282 -20.959 20.965 860 HG3 LYS 109 2HG LYS 109 3.422 -19.694 20.509 861 HD2 LYS 109 1HD LYS 109 1.719 -17.985 21.255 862 HD3 LYS 109 2HD LYS 109 0.728 -19.316 21.865 863 HE2 LYS 109 1HE LYS 109 2.462 -19.944 23.441 864 HE3 LYS 109 2HE LYS 109 3.576 -18.760 22.754 865 HZ1 LYS 109 3HZ LYS 109 2.571 -17.987 24.811 866 HZ2 LYS 109 1HZ LYS 109 1.029 -18.118 24.137 867 HZ3 LYS 109 2HZ LYS 109 2.129 -16.999 23.515 868 H ASN 110 H ASN 110 2.275 -22.296 16.389 869 HA ASN 110 HA ASN 110 1.647 -20.633 14.080 870 HB2 ASN 110 1HB ASN 110 2.106 -23.639 14.382 871 HB3 ASN 110 2HB ASN 110 1.714 -22.869 12.850 872 HD21 ASN 110 2HD2 ASN 110 3.915 -21.416 15.229 873 HD22 ASN 110 1HD2 ASN 110 5.336 -21.608 14.280 Start of MODEL 14 1 HA MET 1 HA MET 1 -5.753 14.950 -9.341 2 H1 MET 1 1H MET 1 -7.338 16.057 -7.944 3 H2 MET 1 2H MET 1 -7.104 14.910 -6.723 4 H3 MET 1 3H MET 1 -7.771 14.442 -8.203 5 HB2 MET 1 1HB MET 1 -4.833 15.776 -6.571 6 HB3 MET 1 2HB MET 1 -3.692 15.409 -7.853 7 HG2 MET 1 1HG MET 1 -5.807 17.559 -8.055 8 HG3 MET 1 2HG MET 1 -4.142 17.845 -7.544 9 HE1 MET 1 3HE MET 1 -2.099 17.034 -10.794 10 HE2 MET 1 1HE MET 1 -2.405 15.965 -9.425 11 HE3 MET 1 2HE MET 1 -2.026 17.665 -9.149 12 H LEU 2 H LEU 2 -6.025 13.300 -6.120 13 HA LEU 2 HA LEU 2 -3.991 11.382 -6.944 14 HG LEU 2 HG LEU 2 -6.142 9.943 -4.400 15 HB2 LEU 2 1HB LEU 2 -3.686 10.754 -4.791 16 HB3 LEU 2 2HB LEU 2 -4.314 12.365 -4.522 17 HD11 LEU 2 1HD1 LEU 2 -5.766 9.822 -1.980 18 HD12 LEU 2 2HD1 LEU 2 -4.497 11.044 -2.110 19 HD13 LEU 2 3HD1 LEU 2 -4.290 9.468 -2.883 20 HD21 LEU 2 3HD2 LEU 2 -6.304 12.660 -3.068 21 HD22 LEU 2 1HD2 LEU 2 -7.481 11.353 -2.920 22 HD23 LEU 2 2HD2 LEU 2 -7.236 12.141 -4.477 23 H GLU 3 H GLU 3 -7.434 11.443 -7.047 24 HA GLU 3 HA GLU 3 -7.946 8.655 -6.964 25 HB2 GLU 3 1HB GLU 3 -10.029 9.167 -8.322 26 HB3 GLU 3 2HB GLU 3 -9.888 10.005 -6.791 27 HG2 GLU 3 1HG GLU 3 -8.899 11.470 -9.212 28 HG3 GLU 3 2HG GLU 3 -10.635 11.226 -9.082 29 H ASP 4 H ASP 4 -6.375 10.578 -9.322 30 HA ASP 4 HA ASP 4 -6.521 8.742 -11.538 31 HB2 ASP 4 1HB ASP 4 -4.564 11.002 -10.948 32 HB3 ASP 4 2HB ASP 4 -4.724 10.170 -12.493 33 H TYR 5 H TYR 5 -4.451 9.175 -8.745 34 HA TYR 5 HA TYR 5 -2.415 7.256 -9.499 35 HD1 TYR 5 HD2 TYR 5 -3.156 10.687 -8.573 36 HD2 TYR 5 HD1 TYR 5 0.433 8.549 -7.650 37 HE1 TYR 5 HE2 TYR 5 -1.819 12.611 -9.304 38 HE2 TYR 5 HE1 TYR 5 1.764 10.477 -8.385 39 HH TYR 5 HH TYR 5 1.544 12.454 -9.795 40 HB2 TYR 5 1HB TYR 5 -3.009 8.629 -6.839 41 HB3 TYR 5 2HB TYR 5 -1.640 7.551 -7.103 42 H ALA 6 H ALA 6 -5.584 6.979 -8.413 43 HA ALA 6 HA ALA 6 -5.545 4.655 -6.808 44 HB1 ALA 6 3HB ALA 6 -7.547 6.079 -7.054 45 HB2 ALA 6 1HB ALA 6 -7.916 4.397 -7.442 46 HB3 ALA 6 2HB ALA 6 -7.709 5.586 -8.737 47 H ILE 7 H ILE 7 -5.024 2.635 -7.336 48 HA ILE 7 HA ILE 7 -5.245 1.703 -10.143 49 HB ILE 7 HB ILE 7 -3.172 0.691 -8.130 50 HG12 ILE 7 1HG1 ILE 7 -2.809 2.752 -10.367 51 HG13 ILE 7 2HG1 ILE 7 -2.604 3.035 -8.648 52 HG21 ILE 7 1HG2 ILE 7 -3.792 -0.934 -9.886 53 HG22 ILE 7 2HG2 ILE 7 -2.134 -0.384 -10.109 54 HG23 ILE 7 3HG2 ILE 7 -3.419 0.252 -11.139 55 HD11 ILE 7 3HD1 ILE 7 -0.465 2.920 -9.700 56 HD12 ILE 7 1HD1 ILE 7 -0.841 1.362 -10.435 57 HD13 ILE 7 2HD1 ILE 7 -0.653 1.492 -8.686 58 H SER 8 H SER 8 -6.443 -0.117 -10.401 59 HA SER 8 HA SER 8 -7.681 -1.417 -8.080 60 HG SER 8 HG SER 8 -8.784 0.208 -9.667 61 HB2 SER 8 1HB SER 8 -8.142 -1.874 -11.061 62 HB3 SER 8 2HB SER 8 -9.129 -2.515 -9.748 63 H LEU 9 H LEU 9 -7.642 -3.763 -7.843 64 HA LEU 9 HA LEU 9 -5.053 -4.905 -8.041 65 HG LEU 9 HG LEU 9 -6.370 -8.037 -7.855 66 HB2 LEU 9 1HB LEU 9 -6.526 -5.479 -6.219 67 HB3 LEU 9 2HB LEU 9 -7.749 -6.089 -7.318 68 HD11 LEU 9 1HD1 LEU 9 -4.130 -7.104 -7.760 69 HD12 LEU 9 2HD1 LEU 9 -4.238 -8.502 -6.692 70 HD13 LEU 9 3HD1 LEU 9 -4.263 -6.873 -6.015 71 HD21 LEU 9 3HD2 LEU 9 -6.419 -9.170 -5.684 72 HD22 LEU 9 1HD2 LEU 9 -7.858 -8.176 -5.901 73 HD23 LEU 9 2HD2 LEU 9 -6.550 -7.618 -4.854 74 H GLU 10 H GLU 10 -7.780 -5.010 -10.186 75 HA GLU 10 HA GLU 10 -7.064 -7.308 -11.732 76 HB2 GLU 10 1HB GLU 10 -8.760 -6.473 -13.330 77 HB3 GLU 10 2HB GLU 10 -9.354 -6.463 -11.674 78 HG2 GLU 10 1HG GLU 10 -8.927 -4.021 -11.539 79 HG3 GLU 10 2HG GLU 10 -8.368 -4.033 -13.210 80 H GLU 11 H GLU 11 -5.922 -4.039 -11.727 81 HA GLU 11 HA GLU 11 -4.637 -4.310 -14.402 82 HB2 GLU 11 1HB GLU 11 -4.808 -1.810 -14.534 83 HB3 GLU 11 2HB GLU 11 -6.383 -2.595 -14.438 84 HG2 GLU 11 1HG GLU 11 -6.444 -2.101 -11.992 85 HG3 GLU 11 2HG GLU 11 -4.919 -1.240 -12.158 86 H VAL 12 H VAL 12 -3.886 -4.458 -11.202 87 HA VAL 12 HA VAL 12 -1.637 -2.609 -11.109 88 HB VAL 12 HB VAL 12 -3.147 -3.138 -9.111 89 HG11 VAL 12 1HG1 VAL 12 -1.509 -5.691 -8.920 90 HG12 VAL 12 2HG1 VAL 12 -3.227 -5.590 -9.310 91 HG13 VAL 12 3HG1 VAL 12 -2.657 -5.090 -7.718 92 HG21 VAL 12 3HG2 VAL 12 -1.332 -2.990 -7.438 93 HG22 VAL 12 1HG2 VAL 12 -1.055 -1.915 -8.811 94 HG23 VAL 12 2HG2 VAL 12 -0.153 -3.426 -8.679 95 H ASN 13 H ASN 13 0.550 -3.220 -10.787 96 HA ASN 13 HA ASN 13 1.294 -6.071 -10.856 97 HB2 ASN 13 1HB ASN 13 2.689 -3.865 -12.457 98 HB3 ASN 13 2HB ASN 13 3.314 -5.498 -12.250 99 HD21 ASN 13 2HD2 ASN 13 0.927 -3.523 -13.875 100 HD22 ASN 13 1HD2 ASN 13 0.423 -4.729 -15.004 101 H PHE 14 H PHE 14 1.631 -6.038 -8.614 102 HA PHE 14 HA PHE 14 2.732 -3.962 -7.091 103 HD1 PHE 14 HD2 PHE 14 1.602 -3.822 -4.810 104 HD2 PHE 14 HD1 PHE 14 0.420 -7.552 -6.493 105 HE1 PHE 14 HE2 PHE 14 -0.683 -3.482 -3.983 106 HE2 PHE 14 HE1 PHE 14 -1.861 -7.214 -5.668 107 HZ PHE 14 HZ PHE 14 -2.418 -5.176 -4.410 108 HB2 PHE 14 1HB PHE 14 2.694 -6.957 -6.557 109 HB3 PHE 14 2HB PHE 14 3.268 -5.789 -5.370 110 H ASN 15 H ASN 15 4.344 -6.531 -8.836 111 HA ASN 15 HA ASN 15 6.960 -6.234 -7.801 112 HB2 ASN 15 1HB ASN 15 7.680 -7.530 -9.792 113 HB3 ASN 15 2HB ASN 15 6.305 -8.269 -8.984 114 HD21 ASN 15 2HD2 ASN 15 7.210 -8.655 -11.688 115 HD22 ASN 15 1HD2 ASN 15 5.907 -8.212 -12.732 116 H ASP 16 H ASP 16 5.179 -4.369 -10.104 117 HA ASP 16 HA ASP 16 7.375 -3.093 -11.452 118 HB2 ASP 16 1HB ASP 16 5.067 -3.334 -12.450 119 HB3 ASP 16 2HB ASP 16 4.464 -2.200 -11.253 120 H PHE 17 H PHE 17 5.550 -2.441 -8.500 121 HA PHE 17 HA PHE 17 6.834 0.238 -8.218 122 HD1 PHE 17 HD1 PHE 17 4.574 1.654 -9.594 123 HD2 PHE 17 HD2 PHE 17 2.711 -1.706 -7.768 124 HE1 PHE 17 HE1 PHE 17 2.937 1.593 -11.408 125 HE2 PHE 17 HE2 PHE 17 1.067 -1.772 -9.595 126 HZ PHE 17 HZ PHE 17 1.183 -0.135 -11.425 127 HB2 PHE 17 1HB PHE 17 4.402 -0.502 -6.575 128 HB3 PHE 17 2HB PHE 17 4.930 1.073 -7.122 129 H ILE 18 H ILE 18 7.592 0.808 -6.068 130 HA ILE 18 HA ILE 18 8.313 -1.307 -4.218 131 HB ILE 18 HB ILE 18 8.377 1.713 -3.750 132 HG12 ILE 18 1HG1 ILE 18 10.693 -0.026 -4.730 133 HG13 ILE 18 2HG1 ILE 18 9.764 1.064 -5.752 134 HG21 ILE 18 1HG2 ILE 18 10.048 1.205 -1.986 135 HG22 ILE 18 2HG2 ILE 18 9.865 -0.521 -2.304 136 HG23 ILE 18 3HG2 ILE 18 8.507 0.409 -1.668 137 HD11 ILE 18 3HD1 ILE 18 10.544 2.970 -4.416 138 HD12 ILE 18 1HD1 ILE 18 11.877 2.051 -5.114 139 HD13 ILE 18 2HD1 ILE 18 11.485 1.868 -3.406 140 H VAL 19 H VAL 19 6.704 -2.214 -2.945 141 HA VAL 19 HA VAL 19 4.162 -0.751 -2.756 142 HB VAL 19 HB VAL 19 4.705 -3.603 -1.820 143 HG11 VAL 19 1HG1 VAL 19 2.578 -2.646 -1.047 144 HG12 VAL 19 2HG1 VAL 19 2.287 -3.938 -2.213 145 HG13 VAL 19 3HG1 VAL 19 2.132 -2.249 -2.709 146 HG21 VAL 19 3HG2 VAL 19 3.932 -4.396 -4.034 147 HG22 VAL 19 1HG2 VAL 19 5.414 -3.448 -4.169 148 HG23 VAL 19 2HG2 VAL 19 3.865 -2.728 -4.609 149 H VAL 20 H VAL 20 3.053 -0.489 -0.757 150 HA VAL 20 HA VAL 20 4.546 -0.790 1.768 151 HB VAL 20 HB VAL 20 2.963 1.704 0.937 152 HG11 VAL 20 1HG1 VAL 20 2.493 1.197 3.294 153 HG12 VAL 20 2HG1 VAL 20 3.500 2.638 3.172 154 HG13 VAL 20 3HG1 VAL 20 4.219 1.095 3.645 155 HG21 VAL 20 3HG2 VAL 20 5.906 1.420 1.668 156 HG22 VAL 20 1HG2 VAL 20 5.079 2.929 1.263 157 HG23 VAL 20 2HG2 VAL 20 5.264 1.669 0.044 158 H ASP 21 H ASP 21 3.362 -1.951 3.168 159 HA ASP 21 HA ASP 21 0.508 -2.410 2.726 160 HB2 ASP 21 1HB ASP 21 2.406 -4.149 3.565 161 HB3 ASP 21 2HB ASP 21 1.990 -3.506 5.147 162 H VAL 22 H VAL 22 -0.744 -0.709 3.432 163 HA VAL 22 HA VAL 22 0.046 0.758 5.882 164 HB VAL 22 HB VAL 22 -1.797 2.433 5.110 165 HG11 VAL 22 1HG1 VAL 22 -0.218 3.607 3.606 166 HG12 VAL 22 2HG1 VAL 22 0.728 2.128 3.429 167 HG13 VAL 22 3HG1 VAL 22 0.622 2.924 4.999 168 HG21 VAL 22 3HG2 VAL 22 -2.320 2.455 2.702 169 HG22 VAL 22 1HG2 VAL 22 -2.859 0.936 3.429 170 HG23 VAL 22 2HG2 VAL 22 -1.382 0.976 2.460 171 H ARG 23 H ARG 23 -0.648 -0.902 7.321 172 HA ARG 23 HA ARG 23 -3.448 -0.554 8.092 173 HE ARG 23 HE ARG 23 -2.425 -4.477 5.563 174 HB2 ARG 23 1HB ARG 23 -2.346 -3.311 7.449 175 HB3 ARG 23 2HB ARG 23 -3.779 -3.066 8.430 176 HG2 ARG 23 1HG ARG 23 -4.963 -2.096 6.511 177 HG3 ARG 23 2HG ARG 23 -3.504 -2.206 5.519 178 HD2 ARG 23 1HD ARG 23 -5.004 -4.574 6.717 179 HD3 ARG 23 2HD ARG 23 -5.118 -4.027 5.043 180 HH11 ARG 23 1HH1 ARG 23 -5.304 -6.504 5.509 181 HH12 ARG 23 2HH1 ARG 23 -4.439 -7.901 4.969 182 HH21 ARG 23 1HH2 ARG 23 -1.326 -6.292 4.869 183 HH22 ARG 23 2HH2 ARG 23 -2.175 -7.791 4.625 184 H GLU 24 H GLU 24 -1.049 -3.081 9.125 185 HA GLU 24 HA GLU 24 -0.511 -1.890 11.707 186 HB2 GLU 24 1HB GLU 24 -2.662 -4.029 11.480 187 HB3 GLU 24 2HB GLU 24 -1.692 -3.933 12.938 188 HG2 GLU 24 1HG GLU 24 -3.469 -1.718 11.867 189 HG3 GLU 24 2HG GLU 24 -3.874 -2.822 13.178 190 H LEU 25 H LEU 25 0.741 -3.359 13.169 191 HA LEU 25 HA LEU 25 2.542 -5.175 11.895 192 HG LEU 25 HG LEU 25 2.930 -6.968 14.585 193 HB2 LEU 25 1HB LEU 25 3.243 -4.009 13.918 194 HB3 LEU 25 2HB LEU 25 1.900 -4.679 14.825 195 HD11 LEU 25 1HD1 LEU 25 4.265 -6.636 12.575 196 HD12 LEU 25 2HD1 LEU 25 5.279 -7.183 13.906 197 HD13 LEU 25 3HD1 LEU 25 5.304 -5.486 13.424 198 HD21 LEU 25 3HD2 LEU 25 4.684 -4.900 15.956 199 HD22 LEU 25 1HD2 LEU 25 4.710 -6.640 16.260 200 HD23 LEU 25 2HD2 LEU 25 3.272 -5.700 16.651 201 H ASP 26 H ASP 26 -0.435 -5.501 13.730 202 HA ASP 26 HA ASP 26 -0.637 -8.196 14.246 203 HB2 ASP 26 1HB ASP 26 -2.217 -6.565 15.108 204 HB3 ASP 26 2HB ASP 26 -2.768 -6.160 13.488 205 H GLU 27 H GLU 27 -1.736 -6.506 11.266 206 HA GLU 27 HA GLU 27 -2.528 -8.902 9.931 207 HB2 GLU 27 1HB GLU 27 -2.676 -7.492 7.862 208 HB3 GLU 27 2HB GLU 27 -3.603 -6.898 9.229 209 HG2 GLU 27 1HG GLU 27 -2.715 -4.959 8.432 210 HG3 GLU 27 2HG GLU 27 -1.556 -5.375 9.677 211 H TYR 28 H TYR 28 0.463 -6.933 9.860 212 HA TYR 28 HA TYR 28 1.883 -8.211 7.858 213 HD1 TYR 28 HD2 TYR 28 4.641 -6.972 7.286 214 HD2 TYR 28 HD1 TYR 28 4.544 -8.498 11.275 215 HE1 TYR 28 HE2 TYR 28 6.964 -7.734 7.056 216 HE2 TYR 28 HE1 TYR 28 6.858 -9.261 11.034 217 HH TYR 28 HH TYR 28 8.372 -9.923 9.103 218 HB2 TYR 28 1HB TYR 28 2.837 -6.289 8.901 219 HB3 TYR 28 2HB TYR 28 2.773 -7.015 10.498 220 H GLU 29 H GLU 29 1.268 -9.294 11.120 221 HA GLU 29 HA GLU 29 3.084 -11.517 11.098 222 HB2 GLU 29 1HB GLU 29 0.859 -10.760 13.042 223 HB3 GLU 29 2HB GLU 29 2.040 -12.036 13.319 224 HG2 GLU 29 1HG GLU 29 3.860 -10.350 13.232 225 HG3 GLU 29 2HG GLU 29 2.659 -9.089 13.006 226 H GLU 30 H GLU 30 -0.428 -11.152 10.533 227 HA GLU 30 HA GLU 30 -0.748 -14.069 10.350 228 HB2 GLU 30 1HB GLU 30 -3.154 -13.615 9.984 229 HB3 GLU 30 2HB GLU 30 -2.527 -12.909 11.468 230 HG2 GLU 30 1HG GLU 30 -2.481 -10.704 10.446 231 HG3 GLU 30 2HG GLU 30 -3.009 -11.372 8.906 232 H LEU 31 H LEU 31 -1.103 -11.315 8.062 233 HA LEU 31 HA LEU 31 0.086 -12.763 5.950 234 HG LEU 31 HG LEU 31 -4.127 -12.848 4.987 235 HB2 LEU 31 1HB LEU 31 -1.632 -13.073 4.368 236 HB3 LEU 31 2HB LEU 31 -2.204 -13.776 5.862 237 HD11 LEU 31 1HD1 LEU 31 -3.956 -12.032 7.265 238 HD12 LEU 31 2HD1 LEU 31 -4.874 -10.923 6.247 239 HD13 LEU 31 3HD1 LEU 31 -3.207 -10.537 6.688 240 HD21 LEU 31 3HD2 LEU 31 -2.687 -10.366 4.056 241 HD22 LEU 31 1HD2 LEU 31 -4.409 -10.707 3.848 242 HD23 LEU 31 2HD2 LEU 31 -3.207 -11.724 3.054 243 H HIS 32 H HIS 32 0.854 -11.485 4.350 244 HA HIS 32 HA HIS 32 -0.018 -8.787 3.840 245 HD1 HIS 32 HD1 HIS 32 2.748 -10.916 6.293 246 HD2 HIS 32 HD2 HIS 32 4.522 -7.653 4.436 247 HE1 HIS 32 HE1 HIS 32 5.204 -11.410 6.231 248 HE2 HIS 32 HE2 HIS 32 6.264 -9.396 5.189 249 HB2 HIS 32 1HB HIS 32 1.826 -7.537 4.769 250 HB3 HIS 32 2HB HIS 32 1.251 -8.573 6.069 251 H LEU 33 H LEU 33 1.581 -7.671 2.297 252 HA LEU 33 HA LEU 33 2.644 -9.575 0.368 253 HG LEU 33 HG LEU 33 0.460 -8.074 -0.583 254 HB2 LEU 33 1HB LEU 33 2.257 -6.597 0.388 255 HB3 LEU 33 2HB LEU 33 3.384 -7.282 -0.767 256 HD11 LEU 33 1HD1 LEU 33 0.630 -5.734 -1.266 257 HD12 LEU 33 2HD1 LEU 33 0.142 -6.727 -2.635 258 HD13 LEU 33 3HD1 LEU 33 1.809 -6.156 -2.511 259 HD21 LEU 33 3HD2 LEU 33 1.859 -9.833 -1.565 260 HD22 LEU 33 1HD2 LEU 33 2.537 -8.679 -2.715 261 HD23 LEU 33 2HD2 LEU 33 0.826 -9.107 -2.792 262 HA PRO 34 HA PRO 34 6.865 -9.730 1.938 263 HB2 PRO 34 1HB PRO 34 8.055 -10.162 -0.624 264 HB3 PRO 34 2HB PRO 34 7.515 -11.413 0.509 265 HG2 PRO 34 1HG PRO 34 6.180 -10.321 -1.921 266 HG3 PRO 34 2HG PRO 34 6.076 -11.946 -1.212 267 HD2 PRO 34 1HD PRO 34 4.079 -10.107 -1.032 268 HD3 PRO 34 2HD PRO 34 4.357 -11.332 0.216 269 H ASN 35 H ASN 35 6.378 -8.083 -1.124 270 HA ASN 35 HA ASN 35 8.600 -6.249 -0.831 271 HB2 ASN 35 1HB ASN 35 7.862 -5.521 -3.123 272 HB3 ASN 35 2HB ASN 35 8.193 -7.243 -2.997 273 HD21 ASN 35 2HD2 ASN 35 6.727 -6.244 -5.068 274 HD22 ASN 35 1HD2 ASN 35 5.099 -6.794 -4.934 275 H ALA 36 H ALA 36 5.733 -6.195 0.625 276 HA ALA 36 HA ALA 36 5.191 -3.332 0.348 277 HB1 ALA 36 3HB ALA 36 3.270 -4.836 0.371 278 HB2 ALA 36 1HB ALA 36 3.232 -3.749 1.761 279 HB3 ALA 36 2HB ALA 36 3.732 -5.432 1.963 280 H THR 37 H THR 37 5.948 -1.886 1.724 281 HA THR 37 HA THR 37 7.616 -2.524 3.970 282 HB THR 37 HB THR 37 6.498 0.196 3.125 283 HG1 THR 37 HG1 THR 37 7.563 -0.440 1.344 284 HG21 THR 37 3HG2 THR 37 7.577 0.204 5.359 285 HG22 THR 37 1HG2 THR 37 8.531 1.112 4.185 286 HG23 THR 37 2HG2 THR 37 9.034 -0.509 4.662 287 H LEU 38 H LEU 38 6.883 -2.867 6.020 288 HA LEU 38 HA LEU 38 4.143 -2.685 6.799 289 HG LEU 38 HG LEU 38 4.115 -4.704 8.870 290 HB2 LEU 38 1HB LEU 38 6.111 -4.174 7.742 291 HB3 LEU 38 2HB LEU 38 6.464 -2.799 8.759 292 HD11 LEU 38 1HD1 LEU 38 6.032 -3.680 10.982 293 HD12 LEU 38 2HD1 LEU 38 6.076 -5.256 10.190 294 HD13 LEU 38 3HD1 LEU 38 4.732 -4.845 11.253 295 HD21 LEU 38 3HD2 LEU 38 2.953 -3.311 10.533 296 HD22 LEU 38 1HD2 LEU 38 3.001 -2.529 8.953 297 HD23 LEU 38 2HD2 LEU 38 4.089 -1.992 10.232 298 H ILE 39 H ILE 39 3.312 -0.648 6.712 299 HA ILE 39 HA ILE 39 4.189 1.265 8.784 300 HB ILE 39 HB ILE 39 3.382 2.028 5.924 301 HG12 ILE 39 1HG1 ILE 39 5.986 2.589 7.424 302 HG13 ILE 39 2HG1 ILE 39 5.784 1.350 6.199 303 HG21 ILE 39 1HG2 ILE 39 3.902 3.900 8.273 304 HG22 ILE 39 2HG2 ILE 39 2.341 3.602 7.509 305 HG23 ILE 39 3HG2 ILE 39 3.621 4.404 6.602 306 HD11 ILE 39 3HD1 ILE 39 6.940 3.261 5.296 307 HD12 ILE 39 1HD1 ILE 39 5.627 4.335 5.777 308 HD13 ILE 39 2HD1 ILE 39 5.361 3.120 4.526 309 H SER 40 H SER 40 2.404 2.127 9.912 310 HA SER 40 HA SER 40 -0.222 0.966 9.275 311 HG SER 40 HG SER 40 1.640 0.621 11.460 312 HB2 SER 40 1HB SER 40 0.544 2.741 11.626 313 HB3 SER 40 2HB SER 40 -0.945 1.804 11.447 314 H VAL 41 H VAL 41 -2.027 2.204 8.721 315 HA VAL 41 HA VAL 41 -1.799 4.459 7.123 316 HB VAL 41 HB VAL 41 -3.755 2.907 7.150 317 HG11 VAL 41 1HG1 VAL 41 -4.066 2.631 9.549 318 HG12 VAL 41 2HG1 VAL 41 -5.565 3.210 8.828 319 HG13 VAL 41 3HG1 VAL 41 -4.534 4.324 9.723 320 HG21 VAL 41 3HG2 VAL 41 -4.535 5.834 7.489 321 HG22 VAL 41 1HG2 VAL 41 -5.518 4.594 6.706 322 HG23 VAL 41 2HG2 VAL 41 -3.978 5.074 5.998 323 H ASN 42 H ASN 42 -2.113 4.286 10.613 324 HA ASN 42 HA ASN 42 -2.757 7.076 11.060 325 HB2 ASN 42 1HB ASN 42 -2.427 6.454 13.490 326 HB3 ASN 42 2HB ASN 42 -3.618 5.476 12.643 327 HD21 ASN 42 2HD2 ASN 42 -0.323 5.470 13.941 328 HD22 ASN 42 1HD2 ASN 42 -0.181 3.751 14.036 329 H ASP 43 H ASP 43 0.130 5.413 10.410 330 HA ASP 43 HA ASP 43 1.897 7.199 11.908 331 HB2 ASP 43 1HB ASP 43 2.488 4.823 10.095 332 HB3 ASP 43 2HB ASP 43 3.741 5.794 10.861 333 H GLN 44 H GLN 44 1.276 9.125 10.879 334 HA GLN 44 HA GLN 44 1.701 9.646 8.106 335 HB2 GLN 44 1HB GLN 44 1.278 11.426 10.532 336 HB3 GLN 44 2HB GLN 44 1.724 12.136 8.987 337 HG2 GLN 44 1HG GLN 44 -0.684 12.259 9.329 338 HG3 GLN 44 2HG GLN 44 -0.297 11.249 7.946 339 HE21 GLN 44 2HE2 GLN 44 -0.784 9.058 8.016 340 HE22 GLN 44 1HE2 GLN 44 -1.762 8.363 9.255 341 H GLU 45 H GLU 45 3.645 10.131 11.031 342 HA GLU 45 HA GLU 45 5.780 11.520 9.778 343 HB2 GLU 45 1HB GLU 45 7.064 10.734 11.963 344 HB3 GLU 45 2HB GLU 45 5.798 11.942 12.039 345 HG2 GLU 45 1HG GLU 45 5.524 10.450 13.887 346 HG3 GLU 45 2HG GLU 45 4.192 10.207 12.759 347 H LYS 46 H LYS 46 5.198 8.075 10.287 348 HA LYS 46 HA LYS 46 7.849 7.239 9.475 349 HB2 LYS 46 1HB LYS 46 6.579 5.892 11.089 350 HB3 LYS 46 2HB LYS 46 5.291 5.655 9.924 351 HG2 LYS 46 1HG LYS 46 6.512 3.615 10.053 352 HG3 LYS 46 2HG LYS 46 6.902 4.340 8.501 353 HD2 LYS 46 1HD LYS 46 8.741 4.750 10.879 354 HD3 LYS 46 2HD LYS 46 8.809 3.249 9.963 355 HE2 LYS 46 1HE LYS 46 9.333 4.519 7.914 356 HE3 LYS 46 2HE LYS 46 9.240 6.029 8.816 357 HZ1 LYS 46 3HZ LYS 46 11.207 3.849 9.267 358 HZ2 LYS 46 1HZ LYS 46 11.106 5.281 10.168 359 HZ3 LYS 46 2HZ LYS 46 11.515 5.335 8.526 360 H LEU 47 H LEU 47 4.662 7.534 7.989 361 HA LEU 47 HA LEU 47 5.314 6.138 5.567 362 HG LEU 47 HG LEU 47 3.387 7.757 3.628 363 HB2 LEU 47 1HB LEU 47 2.991 6.480 6.366 364 HB3 LEU 47 2HB LEU 47 3.138 8.197 6.069 365 HD11 LEU 47 1HD1 LEU 47 4.388 5.520 3.675 366 HD12 LEU 47 2HD1 LEU 47 2.924 5.516 2.697 367 HD13 LEU 47 3HD1 LEU 47 2.894 4.838 4.326 368 HD21 LEU 47 3HD2 LEU 47 1.164 8.212 4.611 369 HD22 LEU 47 1HD2 LEU 47 0.901 6.478 4.806 370 HD23 LEU 47 2HD2 LEU 47 1.067 7.175 3.193 371 H ALA 48 H ALA 48 5.071 9.561 6.413 372 HA ALA 48 HA ALA 48 5.938 10.650 3.947 373 HB1 ALA 48 3HB ALA 48 5.961 11.899 6.710 374 HB2 ALA 48 1HB ALA 48 4.607 11.919 5.576 375 HB3 ALA 48 2HB ALA 48 6.105 12.765 5.178 376 H ASP 49 H ASP 49 7.670 9.524 6.825 377 HA ASP 49 HA ASP 49 10.269 10.479 6.263 378 HB2 ASP 49 1HB ASP 49 9.741 9.409 8.412 379 HB3 ASP 49 2HB ASP 49 9.380 7.889 7.610 380 H PHE 50 H PHE 50 8.696 7.406 5.393 381 HA PHE 50 HA PHE 50 10.744 6.224 3.891 382 HD1 PHE 50 HD1 PHE 50 10.586 3.480 3.849 383 HD2 PHE 50 HD2 PHE 50 7.415 4.961 1.391 384 HE1 PHE 50 HE1 PHE 50 11.008 1.692 2.215 385 HE2 PHE 50 HE2 PHE 50 7.847 3.167 -0.234 386 HZ PHE 50 HZ PHE 50 9.645 1.535 0.174 387 HB2 PHE 50 1HB PHE 50 8.735 5.026 4.751 388 HB3 PHE 50 2HB PHE 50 7.725 5.876 3.591 389 H LEU 51 H LEU 51 8.223 8.493 2.954 390 HA LEU 51 HA LEU 51 8.810 8.431 0.123 391 HG LEU 51 HG LEU 51 6.120 8.206 1.964 392 HB2 LEU 51 1HB LEU 51 7.151 10.433 1.698 393 HB3 LEU 51 2HB LEU 51 7.161 10.238 -0.047 394 HD11 LEU 51 1HD1 LEU 51 3.907 8.696 1.043 395 HD12 LEU 51 2HD1 LEU 51 4.609 9.925 -0.014 396 HD13 LEU 51 3HD1 LEU 51 4.649 10.136 1.738 397 HD21 LEU 51 3HD2 LEU 51 7.069 7.025 0.037 398 HD22 LEU 51 1HD2 LEU 51 6.110 8.015 -1.066 399 HD23 LEU 51 2HD2 LEU 51 5.313 6.895 0.041 400 H SER 52 H SER 52 9.868 10.323 2.877 401 HA SER 52 HA SER 52 11.007 12.495 1.332 402 HG SER 52 HG SER 52 11.269 14.486 3.419 403 HB2 SER 52 1HB SER 52 10.037 12.806 3.635 404 HB3 SER 52 2HB SER 52 11.395 11.890 4.287 405 H GLN 53 H GLN 53 12.089 9.361 2.244 406 HA GLN 53 HA GLN 53 14.902 9.739 2.378 407 HB2 GLN 53 1HB GLN 53 13.384 7.305 1.332 408 HB3 GLN 53 2HB GLN 53 15.076 7.320 1.816 409 HG2 GLN 53 1HG GLN 53 12.674 7.726 3.610 410 HG3 GLN 53 2HG GLN 53 13.713 6.307 3.542 411 HE21 GLN 53 2HE2 GLN 53 13.039 8.231 5.731 412 HE22 GLN 53 1HE2 GLN 53 14.561 8.741 6.361 413 H HIS 54 H HIS 54 12.771 8.920 -0.263 414 HA HIS 54 HA HIS 54 14.369 10.272 -2.283 415 HD1 HIS 54 HD1 HIS 54 16.679 8.830 -3.867 416 HD2 HIS 54 HD2 HIS 54 15.401 6.187 -0.926 417 HE1 HIS 54 HE1 HIS 54 18.762 7.759 -2.968 418 HE2 HIS 54 HE2 HIS 54 17.964 6.168 -1.186 419 HB2 HIS 54 1HB HIS 54 13.465 7.340 -2.549 420 HB3 HIS 54 2HB HIS 54 14.065 8.312 -3.894 421 H LYS 55 H LYS 55 12.738 11.728 -2.710 422 HA LYS 55 HA LYS 55 9.947 11.013 -2.745 423 HB2 LYS 55 1HB LYS 55 11.391 13.511 -3.707 424 HB3 LYS 55 2HB LYS 55 9.644 13.315 -3.818 425 HG2 LYS 55 1HG LYS 55 9.587 13.011 -1.308 426 HG3 LYS 55 2HG LYS 55 11.305 13.408 -1.277 427 HD2 LYS 55 1HD LYS 55 9.929 15.382 -0.725 428 HD3 LYS 55 2HD LYS 55 10.831 15.634 -2.224 429 HE2 LYS 55 1HE LYS 55 8.778 15.056 -3.521 430 HE3 LYS 55 2HE LYS 55 7.897 14.879 -2.003 431 HZ1 LYS 55 3HZ LYS 55 7.518 17.028 -2.987 432 HZ2 LYS 55 1HZ LYS 55 9.175 17.365 -2.986 433 HZ3 LYS 55 2HZ LYS 55 8.344 17.198 -1.522 434 H ASP 56 H ASP 56 12.474 11.362 -5.185 435 HA ASP 56 HA ASP 56 10.708 10.793 -7.420 436 HB2 ASP 56 1HB ASP 56 12.697 12.270 -7.723 437 HB3 ASP 56 2HB ASP 56 13.764 10.922 -7.330 438 H LYS 57 H LYS 57 9.838 8.859 -6.581 439 HA LYS 57 HA LYS 57 11.091 6.516 -7.698 440 HB2 LYS 57 1HB LYS 57 11.275 5.146 -5.792 441 HB3 LYS 57 2HB LYS 57 11.900 6.681 -5.223 442 HG2 LYS 57 1HG LYS 57 9.211 5.436 -4.597 443 HG3 LYS 57 2HG LYS 57 10.561 5.693 -3.494 444 HD2 LYS 57 1HD LYS 57 10.231 8.190 -3.856 445 HD3 LYS 57 2HD LYS 57 8.747 7.798 -4.717 446 HE2 LYS 57 1HE LYS 57 8.322 8.416 -2.364 447 HE3 LYS 57 2HE LYS 57 7.821 6.760 -2.704 448 HZ1 LYS 57 3HZ LYS 57 9.907 5.985 -1.697 449 HZ2 LYS 57 1HZ LYS 57 8.996 6.891 -0.602 450 HZ3 LYS 57 2HZ LYS 57 10.341 7.579 -1.351 451 H LYS 58 H LYS 58 9.433 4.589 -7.447 452 HA LYS 58 HA LYS 58 6.669 5.660 -7.657 453 HB2 LYS 58 1HB LYS 58 7.812 4.625 -9.713 454 HB3 LYS 58 2HB LYS 58 7.640 3.070 -8.884 455 HG2 LYS 58 1HG LYS 58 5.286 3.154 -8.958 456 HG3 LYS 58 2HG LYS 58 5.259 4.885 -9.299 457 HD2 LYS 58 1HD LYS 58 4.674 3.568 -11.290 458 HD3 LYS 58 2HD LYS 58 6.150 4.499 -11.528 459 HE2 LYS 58 1HE LYS 58 7.513 2.495 -11.224 460 HE3 LYS 58 2HE LYS 58 6.079 1.542 -10.834 461 HZ1 LYS 58 3HZ LYS 58 5.288 1.771 -13.034 462 HZ2 LYS 58 1HZ LYS 58 6.908 1.306 -13.153 463 HZ3 LYS 58 2HZ LYS 58 6.472 2.912 -13.431 464 H VAL 59 H VAL 59 5.676 5.300 -5.752 465 HA VAL 59 HA VAL 59 5.963 2.666 -4.419 466 HB VAL 59 HB VAL 59 5.894 5.442 -3.176 467 HG11 VAL 59 1HG1 VAL 59 5.233 2.871 -1.685 468 HG12 VAL 59 2HG1 VAL 59 4.143 4.228 -1.958 469 HG13 VAL 59 3HG1 VAL 59 5.559 4.434 -0.928 470 HG21 VAL 59 3HG2 VAL 59 7.831 4.607 -1.916 471 HG22 VAL 59 1HG2 VAL 59 8.080 4.379 -3.646 472 HG23 VAL 59 2HG2 VAL 59 7.634 3.004 -2.633 473 H LEU 60 H LEU 60 4.192 1.639 -3.747 474 HA LEU 60 HA LEU 60 1.524 2.767 -4.398 475 HG LEU 60 HG LEU 60 0.029 0.107 -4.218 476 HB2 LEU 60 1HB LEU 60 2.278 1.062 -6.033 477 HB3 LEU 60 2HB LEU 60 2.544 -0.081 -4.726 478 HD11 LEU 60 1HD1 LEU 60 -0.010 1.427 -6.945 479 HD12 LEU 60 2HD1 LEU 60 -0.432 2.184 -5.407 480 HD13 LEU 60 3HD1 LEU 60 -1.424 0.875 -6.041 481 HD21 LEU 60 3HD2 LEU 60 0.812 -1.067 -6.901 482 HD22 LEU 60 1HD2 LEU 60 -0.596 -1.507 -5.934 483 HD23 LEU 60 2HD2 LEU 60 1.024 -1.852 -5.335 484 H LEU 61 H LEU 61 0.512 3.109 -2.486 485 HA LEU 61 HA LEU 61 0.933 1.476 -0.109 486 HG LEU 61 HG LEU 61 1.320 3.690 1.413 487 HB2 LEU 61 1HB LEU 61 -0.848 3.869 -0.723 488 HB3 LEU 61 2HB LEU 61 -0.959 3.007 0.799 489 HD11 LEU 61 1HD1 LEU 61 2.405 3.738 -0.771 490 HD12 LEU 61 2HD1 LEU 61 2.613 5.286 0.042 491 HD13 LEU 61 3HD1 LEU 61 1.428 5.125 -1.256 492 HD21 LEU 61 3HD2 LEU 61 -0.385 6.017 0.452 493 HD22 LEU 61 1HD2 LEU 61 0.924 6.124 1.631 494 HD23 LEU 61 2HD2 LEU 61 -0.519 5.190 2.006 495 H HIS 62 H HIS 62 -0.024 -0.576 -0.274 496 HA HIS 62 HA HIS 62 -2.704 -0.795 -1.487 497 HD1 HIS 62 HD1 HIS 62 -2.738 -4.634 0.172 498 HD2 HIS 62 HD2 HIS 62 1.124 -3.141 0.036 499 HE1 HIS 62 HE1 HIS 62 -1.421 -6.039 1.771 500 HE2 HIS 62 HE2 HIS 62 0.865 -5.009 1.777 501 HB2 HIS 62 1HB HIS 62 -2.330 -3.080 -1.818 502 HB3 HIS 62 2HB HIS 62 -0.720 -2.413 -2.027 503 H CYS 63 H CYS 63 -4.473 -1.662 -0.426 504 HA CYS 63 HA CYS 63 -4.330 -1.963 2.537 505 HG CYS 63 HG CYS 63 -6.722 -1.412 4.132 506 HB2 CYS 63 1HB CYS 63 -5.322 0.190 2.175 507 HB3 CYS 63 2HB CYS 63 -6.348 -0.424 0.874 508 H ARG 64 H ARG 64 -5.946 -3.293 3.491 509 HA ARG 64 HA ARG 64 -6.613 -5.737 2.464 510 HE ARG 64 HE ARG 64 -10.268 -4.545 5.306 511 HB2 ARG 64 1HB ARG 64 -6.894 -5.057 4.848 512 HB3 ARG 64 2HB ARG 64 -8.321 -4.129 4.403 513 HG2 ARG 64 1HG ARG 64 -9.403 -6.253 3.633 514 HG3 ARG 64 2HG ARG 64 -7.994 -7.142 4.215 515 HD2 ARG 64 1HD ARG 64 -9.740 -7.276 5.875 516 HD3 ARG 64 2HD ARG 64 -8.445 -6.261 6.509 517 HH11 ARG 64 1HH1 ARG 64 -10.355 -6.799 8.007 518 HH12 ARG 64 2HH1 ARG 64 -11.547 -5.887 8.871 519 HH21 ARG 64 1HH2 ARG 64 -11.837 -3.369 6.486 520 HH22 ARG 64 2HH2 ARG 64 -12.391 -3.973 8.014 521 H ALA 65 H ALA 65 -8.666 -2.816 2.331 522 HA ALA 65 HA ALA 65 -10.114 -3.981 0.011 523 HB1 ALA 65 3HB ALA 65 -11.982 -2.460 0.537 524 HB2 ALA 65 1HB ALA 65 -11.109 -1.853 1.946 525 HB3 ALA 65 2HB ALA 65 -11.638 -3.533 1.894 526 H GLY 66 H GLY 66 -9.323 -0.740 1.368 527 HA2 GLY 66 1HA GLY 66 -7.643 0.203 -0.580 528 HA3 GLY 66 2HA GLY 66 -9.246 0.467 -1.248 529 H ARG 67 H ARG 67 -10.048 0.864 1.817 530 HA ARG 67 HA ARG 67 -10.101 3.688 1.694 531 HE ARG 67 HE ARG 67 -10.301 6.314 5.047 532 HB2 ARG 67 1HB ARG 67 -11.802 2.517 2.999 533 HB3 ARG 67 2HB ARG 67 -10.582 1.859 4.079 534 HG2 ARG 67 1HG ARG 67 -11.774 3.701 5.168 535 HG3 ARG 67 2HG ARG 67 -10.078 4.124 4.924 536 HD2 ARG 67 1HD ARG 67 -11.167 5.152 2.618 537 HD3 ARG 67 2HD ARG 67 -12.525 5.337 3.730 538 HH11 ARG 67 1HH1 ARG 67 -12.124 7.141 2.170 539 HH12 ARG 67 2HH1 ARG 67 -11.641 8.804 2.199 540 HH21 ARG 67 1HH2 ARG 67 -9.649 8.482 5.052 541 HH22 ARG 67 2HH2 ARG 67 -10.239 9.560 3.827 542 H ARG 68 H ARG 68 -8.038 1.489 3.623 543 HA ARG 68 HA ARG 68 -6.624 3.473 5.071 544 HE ARG 68 HE ARG 68 -8.879 0.767 8.045 545 HB2 ARG 68 1HB ARG 68 -5.621 0.715 4.221 546 HB3 ARG 68 2HB ARG 68 -4.949 1.698 5.511 547 HG2 ARG 68 1HG ARG 68 -7.724 0.472 5.494 548 HG3 ARG 68 2HG ARG 68 -6.321 -0.149 6.366 549 HD2 ARG 68 1HD ARG 68 -6.246 2.027 7.631 550 HD3 ARG 68 2HD ARG 68 -7.762 2.469 6.850 551 HH11 ARG 68 1HH1 ARG 68 -5.515 1.012 9.036 552 HH12 ARG 68 2HH1 ARG 68 -5.777 0.243 10.565 553 HH21 ARG 68 1HH2 ARG 68 -9.214 -0.246 10.046 554 HH22 ARG 68 2HH2 ARG 68 -7.873 -0.486 11.127 555 H ALA 69 H ALA 69 -6.107 2.015 1.933 556 HA ALA 69 HA ALA 69 -3.543 3.037 1.284 557 HB1 ALA 69 3HB ALA 69 -4.616 1.115 0.138 558 HB2 ALA 69 1HB ALA 69 -4.126 2.360 -1.006 559 HB3 ALA 69 2HB ALA 69 -5.821 2.201 -0.554 560 H LEU 70 H LEU 70 -6.809 4.064 0.470 561 HA LEU 70 HA LEU 70 -6.300 6.380 -1.012 562 HG LEU 70 HG LEU 70 -8.890 7.980 0.183 563 HB2 LEU 70 1HB LEU 70 -8.460 5.217 -1.028 564 HB3 LEU 70 2HB LEU 70 -8.684 5.537 0.682 565 HD11 LEU 70 1HD1 LEU 70 -8.811 7.158 -2.734 566 HD12 LEU 70 2HD1 LEU 70 -7.577 8.092 -1.882 567 HD13 LEU 70 3HD1 LEU 70 -9.188 8.766 -2.114 568 HD21 LEU 70 3HD2 LEU 70 -11.139 7.891 -0.806 569 HD22 LEU 70 1HD2 LEU 70 -10.917 6.616 0.389 570 HD23 LEU 70 2HD2 LEU 70 -10.856 6.231 -1.334 571 H ASP 71 H ASP 71 -6.827 5.901 2.450 572 HA ASP 71 HA ASP 71 -7.171 8.631 3.168 573 HB2 ASP 71 1HB ASP 71 -8.070 6.756 4.532 574 HB3 ASP 71 2HB ASP 71 -6.435 6.229 4.896 575 H ALA 72 H ALA 72 -4.496 6.340 3.606 576 HA ALA 72 HA ALA 72 -2.652 8.111 4.789 577 HB1 ALA 72 3HB ALA 72 -2.525 5.650 4.941 578 HB2 ALA 72 1HB ALA 72 -1.013 6.347 4.366 579 HB3 ALA 72 2HB ALA 72 -2.109 5.564 3.228 580 H ALA 73 H ALA 73 -3.204 7.175 1.396 581 HA ALA 73 HA ALA 73 -1.018 8.603 0.273 582 HB1 ALA 73 3HB ALA 73 -3.615 7.750 -1.054 583 HB2 ALA 73 1HB ALA 73 -2.138 6.786 -0.944 584 HB3 ALA 73 2HB ALA 73 -2.152 8.275 -1.889 585 H LYS 74 H LYS 74 -4.418 9.498 0.936 586 HA LYS 74 HA LYS 74 -4.519 12.024 -0.300 587 HB2 LYS 74 1HB LYS 74 -6.022 10.849 2.051 588 HB3 LYS 74 2HB LYS 74 -6.217 12.557 1.677 589 HG2 LYS 74 1HG LYS 74 -6.952 11.950 -0.614 590 HG3 LYS 74 2HG LYS 74 -6.833 10.242 -0.183 591 HD2 LYS 74 1HD LYS 74 -8.582 10.521 1.516 592 HD3 LYS 74 2HD LYS 74 -8.642 12.259 1.204 593 HE2 LYS 74 1HE LYS 74 -9.292 10.130 -0.847 594 HE3 LYS 74 2HE LYS 74 -10.494 10.980 0.121 595 HZ1 LYS 74 3HZ LYS 74 -10.253 11.942 -2.085 596 HZ2 LYS 74 1HZ LYS 74 -8.619 12.257 -1.790 597 HZ3 LYS 74 2HZ LYS 74 -9.805 13.045 -0.887 598 H SER 75 H SER 75 -3.793 11.195 3.040 599 HA SER 75 HA SER 75 -3.194 13.629 4.143 600 HG SER 75 HG SER 75 -3.628 10.371 5.233 601 HB2 SER 75 1HB SER 75 -1.702 11.039 4.745 602 HB3 SER 75 2HB SER 75 -1.900 12.416 5.833 603 H MET 76 H MET 76 -0.963 11.510 2.330 604 HA MET 76 HA MET 76 1.306 13.277 2.646 605 HB2 MET 76 1HB MET 76 0.868 10.676 1.163 606 HB3 MET 76 2HB MET 76 2.364 11.594 0.968 607 HG2 MET 76 1HG MET 76 2.490 9.801 2.703 608 HG3 MET 76 2HG MET 76 2.883 11.418 3.297 609 HE1 MET 76 3HE MET 76 2.483 9.860 5.716 610 HE2 MET 76 1HE MET 76 1.144 10.656 6.542 611 HE3 MET 76 2HE MET 76 2.355 11.620 5.703 612 H HIS 77 H HIS 77 -1.035 12.712 0.078 613 HA HIS 77 HA HIS 77 0.185 14.380 -1.861 614 HD1 HIS 77 HD1 HIS 77 -1.317 14.025 -4.867 615 HD2 HIS 77 HD2 HIS 77 -1.276 10.801 -2.256 616 HE1 HIS 77 HE1 HIS 77 -0.750 12.018 -6.270 617 HE2 HIS 77 HE2 HIS 77 -0.872 10.074 -4.679 618 HB2 HIS 77 1HB HIS 77 -2.588 13.273 -1.487 619 HB3 HIS 77 2HB HIS 77 -2.369 14.582 -2.636 620 H GLU 78 H GLU 78 -1.870 15.059 0.913 621 HA GLU 78 HA GLU 78 -2.297 17.843 0.436 622 HB2 GLU 78 1HB GLU 78 -2.310 16.283 3.054 623 HB3 GLU 78 2HB GLU 78 -2.953 17.909 2.842 624 HG2 GLU 78 1HG GLU 78 -4.000 15.470 1.383 625 HG3 GLU 78 2HG GLU 78 -4.665 16.048 2.895 626 H LEU 79 H LEU 79 0.213 15.928 2.035 627 HA LEU 79 HA LEU 79 1.723 18.090 3.145 628 HG LEU 79 HG LEU 79 0.902 15.203 4.129 629 HB2 LEU 79 1HB LEU 79 2.651 15.295 2.382 630 HB3 LEU 79 2HB LEU 79 3.568 16.425 3.371 631 HD11 LEU 79 1HD1 LEU 79 2.649 13.509 4.134 632 HD12 LEU 79 2HD1 LEU 79 2.125 13.877 5.775 633 HD13 LEU 79 3HD1 LEU 79 3.654 14.522 5.173 634 HD21 LEU 79 3HD2 LEU 79 2.751 16.965 5.763 635 HD22 LEU 79 1HD2 LEU 79 1.304 16.154 6.367 636 HD23 LEU 79 2HD2 LEU 79 1.158 17.407 5.141 637 H GLY 80 H GLY 80 1.561 16.627 -0.023 638 HA2 GLY 80 1HA GLY 80 2.266 18.066 -1.888 639 HA3 GLY 80 2HA GLY 80 3.746 18.403 -1.004 640 H TYR 81 H TYR 81 3.438 15.282 -0.288 641 HA TYR 81 HA TYR 81 5.130 14.241 -2.383 642 HD1 TYR 81 HD2 TYR 81 7.191 12.954 -0.800 643 HD2 TYR 81 HD1 TYR 81 3.854 13.730 1.752 644 HE1 TYR 81 HE2 TYR 81 8.729 13.513 1.037 645 HE2 TYR 81 HE1 TYR 81 5.394 14.293 3.589 646 HH TYR 81 HH TYR 81 7.767 13.790 4.254 647 HB2 TYR 81 1HB TYR 81 3.492 12.663 -0.346 648 HB3 TYR 81 2HB TYR 81 4.841 12.047 -1.295 649 H THR 82 H THR 82 4.407 12.217 -3.659 650 HA THR 82 HA THR 82 1.533 12.183 -4.313 651 HB THR 82 HB THR 82 2.207 12.015 -6.830 652 HG1 THR 82 HG1 THR 82 4.473 11.809 -6.438 653 HG21 THR 82 3HG2 THR 82 2.233 14.456 -7.179 654 HG22 THR 82 1HG2 THR 82 2.600 14.708 -5.469 655 HG23 THR 82 2HG2 THR 82 1.051 14.013 -5.947 656 HA PRO 83 HA PRO 83 3.218 7.785 -4.159 657 HB2 PRO 83 1HB PRO 83 1.861 6.885 -1.980 658 HB3 PRO 83 2HB PRO 83 3.423 7.703 -1.829 659 HG2 PRO 83 1HG PRO 83 0.649 8.850 -1.475 660 HG3 PRO 83 2HG PRO 83 2.080 9.030 -0.433 661 HD2 PRO 83 1HD PRO 83 1.358 10.940 -2.229 662 HD3 PRO 83 2HD PRO 83 3.054 10.623 -1.813 663 H TYR 84 H TYR 84 2.048 6.106 -5.063 664 HA TYR 84 HA TYR 84 -0.711 6.497 -5.926 665 HD1 TYR 84 HD1 TYR 84 3.106 5.516 -6.967 666 HD2 TYR 84 HD2 TYR 84 -0.637 5.696 -9.029 667 HE1 TYR 84 HE1 TYR 84 4.201 6.631 -8.865 668 HE2 TYR 84 HE2 TYR 84 0.466 6.808 -10.923 669 HH TYR 84 HH TYR 84 3.812 6.931 -11.304 670 HB2 TYR 84 1HB TYR 84 1.158 4.094 -6.258 671 HB3 TYR 84 2HB TYR 84 -0.407 4.283 -7.047 672 H TYR 85 H TYR 85 -2.214 4.478 -5.630 673 HA TYR 85 HA TYR 85 -1.789 2.992 -3.176 674 HD1 TYR 85 HD2 TYR 85 -3.311 6.846 -3.963 675 HD2 TYR 85 HD1 TYR 85 -6.057 3.698 -3.061 676 HE1 TYR 85 HE2 TYR 85 -5.135 8.140 -4.950 677 HE2 TYR 85 HE1 TYR 85 -7.879 5.005 -4.057 678 HH TYR 85 HH TYR 85 -8.443 7.255 -4.617 679 HB2 TYR 85 1HB TYR 85 -3.833 3.723 -2.047 680 HB3 TYR 85 2HB TYR 85 -2.747 5.075 -2.288 681 H LEU 86 H LEU 86 -3.108 1.200 -2.971 682 HA LEU 86 HA LEU 86 -4.354 0.284 -5.479 683 HG LEU 86 HG LEU 86 -2.640 -3.067 -5.196 684 HB2 LEU 86 1HB LEU 86 -2.197 -0.795 -4.838 685 HB3 LEU 86 2HB LEU 86 -2.908 -1.325 -3.333 686 HD11 LEU 86 1HD1 LEU 86 -4.698 -4.278 -4.724 687 HD12 LEU 86 2HD1 LEU 86 -5.424 -2.816 -4.055 688 HD13 LEU 86 3HD1 LEU 86 -4.036 -3.556 -3.259 689 HD21 LEU 86 3HD2 LEU 86 -4.308 -3.194 -6.947 690 HD22 LEU 86 1HD2 LEU 86 -3.391 -1.695 -7.070 691 HD23 LEU 86 2HD2 LEU 86 -5.028 -1.676 -6.408 692 H GLU 87 H GLU 87 -6.422 0.257 -5.322 693 HA GLU 87 HA GLU 87 -7.858 -0.555 -2.886 694 HB2 GLU 87 1HB GLU 87 -8.926 0.531 -5.537 695 HB3 GLU 87 2HB GLU 87 -9.874 0.226 -4.083 696 HG2 GLU 87 1HG GLU 87 -8.597 1.976 -2.885 697 HG3 GLU 87 2HG GLU 87 -7.654 2.282 -4.342 698 H GLY 88 H GLY 88 -7.526 -2.717 -2.817 699 HA2 GLY 88 1HA GLY 88 -9.089 -4.435 -4.483 700 HA3 GLY 88 2HA GLY 88 -7.365 -4.635 -4.790 701 H ASN 89 H ASN 89 -9.097 -6.625 -3.710 702 HA ASN 89 HA ASN 89 -9.036 -6.715 -0.854 703 HB2 ASN 89 1HB ASN 89 -9.593 -8.903 -2.896 704 HB3 ASN 89 2HB ASN 89 -9.846 -9.068 -1.161 705 HD21 ASN 89 2HD2 ASN 89 -11.571 -7.981 -0.186 706 HD22 ASN 89 1HD2 ASN 89 -12.856 -7.276 -1.104 707 H VAL 90 H VAL 90 -7.482 -7.426 0.485 708 HA VAL 90 HA VAL 90 -4.857 -7.819 -0.445 709 HB VAL 90 HB VAL 90 -5.385 -6.770 1.734 710 HG11 VAL 90 1HG1 VAL 90 -6.012 -9.563 2.742 711 HG12 VAL 90 2HG1 VAL 90 -7.172 -8.254 2.511 712 HG13 VAL 90 3HG1 VAL 90 -5.908 -8.103 3.729 713 HG21 VAL 90 3HG2 VAL 90 -3.536 -7.774 3.065 714 HG22 VAL 90 1HG2 VAL 90 -3.091 -7.505 1.376 715 HG23 VAL 90 2HG2 VAL 90 -3.486 -9.131 1.940 716 H TYR 91 H TYR 91 -7.291 -10.137 0.564 717 HA TYR 91 HA TYR 91 -5.542 -12.416 0.765 718 HD1 TYR 91 HD2 TYR 91 -6.434 -13.264 3.386 719 HD2 TYR 91 HD1 TYR 91 -9.412 -10.648 1.781 720 HE1 TYR 91 HE2 TYR 91 -6.769 -12.265 5.611 721 HE2 TYR 91 HE1 TYR 91 -9.727 -9.648 3.994 722 HH TYR 91 HH TYR 91 -7.611 -10.170 6.585 723 HB2 TYR 91 1HB TYR 91 -8.575 -12.441 0.418 724 HB3 TYR 91 2HB TYR 91 -7.571 -13.711 1.120 725 H ASP 92 H ASP 92 -7.191 -10.800 -1.774 726 HA ASP 92 HA ASP 92 -7.321 -13.025 -3.628 727 HB2 ASP 92 1HB ASP 92 -8.183 -10.118 -3.784 728 HB3 ASP 92 2HB ASP 92 -8.257 -11.182 -5.181 729 H PHE 93 H PHE 93 -4.864 -10.827 -2.803 730 HA PHE 93 HA PHE 93 -3.692 -10.202 -5.286 731 HD1 PHE 93 HD1 PHE 93 -4.427 -8.444 -4.405 732 HD2 PHE 93 HD2 PHE 93 -1.440 -8.782 -1.389 733 HE1 PHE 93 HE1 PHE 93 -5.053 -6.232 -3.552 734 HE2 PHE 93 HE2 PHE 93 -2.072 -6.582 -0.542 735 HZ PHE 93 HZ PHE 93 -3.871 -5.290 -1.606 736 HB2 PHE 93 1HB PHE 93 -2.280 -10.790 -2.650 737 HB3 PHE 93 2HB PHE 93 -1.528 -10.013 -4.038 738 H GLU 94 H GLU 94 -3.272 -12.986 -3.180 739 HA GLU 94 HA GLU 94 -1.424 -14.554 -4.490 740 HB2 GLU 94 1HB GLU 94 -3.828 -15.195 -2.752 741 HB3 GLU 94 2HB GLU 94 -2.793 -16.485 -3.350 742 HG2 GLU 94 1HG GLU 94 -1.491 -14.186 -1.921 743 HG3 GLU 94 2HG GLU 94 -2.418 -15.340 -0.959 744 H LYS 95 H LYS 95 -4.977 -14.544 -4.999 745 HA LYS 95 HA LYS 95 -4.813 -16.537 -7.102 746 HB2 LYS 95 1HB LYS 95 -7.284 -16.297 -7.253 747 HB3 LYS 95 2HB LYS 95 -6.719 -16.649 -5.624 748 HG2 LYS 95 1HG LYS 95 -6.977 -14.261 -5.030 749 HG3 LYS 95 2HG LYS 95 -7.579 -13.929 -6.653 750 HD2 LYS 95 1HD LYS 95 -9.448 -14.097 -5.094 751 HD3 LYS 95 2HD LYS 95 -9.507 -15.436 -6.240 752 HE2 LYS 95 1HE LYS 95 -8.549 -16.939 -4.537 753 HE3 LYS 95 2HE LYS 95 -8.450 -15.596 -3.398 754 HZ1 LYS 95 3HZ LYS 95 -10.831 -15.428 -3.395 755 HZ2 LYS 95 1HZ LYS 95 -10.391 -17.025 -3.045 756 HZ3 LYS 95 2HZ LYS 95 -10.973 -16.624 -4.584 757 H TYR 96 H TYR 96 -4.695 -13.081 -7.031 758 HA TYR 96 HA TYR 96 -5.276 -12.783 -9.893 759 HD1 TYR 96 HD1 TYR 96 -7.107 -11.896 -7.173 760 HD2 TYR 96 HD2 TYR 96 -6.251 -9.342 -10.493 761 HE1 TYR 96 HE1 TYR 96 -9.484 -11.327 -7.348 762 HE2 TYR 96 HE2 TYR 96 -8.637 -8.774 -10.663 763 HH TYR 96 HH TYR 96 -10.821 -9.773 -10.022 764 HB2 TYR 96 1HB TYR 96 -4.696 -10.844 -7.654 765 HB3 TYR 96 2HB TYR 96 -4.426 -10.317 -9.310 766 H GLY 97 H GLY 97 -2.603 -13.717 -8.064 767 HA2 GLY 97 1HA GLY 97 -0.835 -14.770 -9.292 768 HA3 GLY 97 2HA GLY 97 -0.973 -13.551 -10.545 769 H PHE 98 H PHE 98 -0.818 -13.028 -7.062 770 HA PHE 98 HA PHE 98 1.927 -11.941 -7.262 771 HD1 PHE 98 HD2 PHE 98 2.288 -9.341 -8.026 772 HD2 PHE 98 HD1 PHE 98 -1.910 -9.917 -7.420 773 HE1 PHE 98 HE2 PHE 98 1.806 -7.971 -10.008 774 HE2 PHE 98 HE1 PHE 98 -2.377 -8.555 -9.412 775 HZ PHE 98 HZ PHE 98 -0.519 -7.577 -10.705 776 HB2 PHE 98 1HB PHE 98 -0.380 -10.631 -5.740 777 HB3 PHE 98 2HB PHE 98 1.292 -10.070 -5.774 778 H ARG 99 H ARG 99 3.169 -13.054 -5.910 779 HA ARG 99 HA ARG 99 2.195 -14.864 -3.973 780 HE ARG 99 HE ARG 99 5.588 -13.109 -6.342 781 HB2 ARG 99 1HB ARG 99 4.411 -15.488 -3.598 782 HB3 ARG 99 2HB ARG 99 4.512 -14.837 -5.225 783 HG2 ARG 99 1HG ARG 99 5.380 -13.487 -2.657 784 HG3 ARG 99 2HG ARG 99 6.427 -14.127 -3.920 785 HD2 ARG 99 1HD ARG 99 4.465 -11.865 -4.369 786 HD3 ARG 99 2HD ARG 99 6.126 -11.617 -3.866 787 HH11 ARG 99 1HH1 ARG 99 6.904 -10.214 -4.841 788 HH12 ARG 99 2HH1 ARG 99 7.586 -9.626 -6.324 789 HH21 ARG 99 1HH2 ARG 99 6.500 -12.327 -8.244 790 HH22 ARG 99 2HH2 ARG 99 7.362 -10.824 -8.244 791 H MET 100 H MET 100 2.489 -14.796 -1.693 792 HA MET 100 HA MET 100 2.770 -12.220 -0.341 793 HB2 MET 100 1HB MET 100 0.269 -13.949 -0.025 794 HB3 MET 100 2HB MET 100 0.654 -12.531 0.940 795 HG2 MET 100 1HG MET 100 0.510 -11.145 -1.135 796 HG3 MET 100 2HG MET 100 -0.012 -12.584 -2.011 797 HE1 MET 100 3HE MET 100 -0.857 -9.984 0.758 798 HE2 MET 100 1HE MET 100 -0.925 -11.491 1.676 799 HE3 MET 100 2HE MET 100 -2.401 -10.576 1.372 800 H VAL 101 H VAL 101 2.878 -12.522 2.030 801 HA VAL 101 HA VAL 101 3.942 -15.195 2.746 802 HB VAL 101 HB VAL 101 4.736 -12.583 4.119 803 HG11 VAL 101 1HG1 VAL 101 5.967 -15.370 4.196 804 HG12 VAL 101 2HG1 VAL 101 5.036 -14.606 5.485 805 HG13 VAL 101 3HG1 VAL 101 6.603 -13.944 5.025 806 HG21 VAL 101 3HG2 VAL 101 5.501 -12.466 1.784 807 HG22 VAL 101 1HG2 VAL 101 6.258 -14.053 1.928 808 HG23 VAL 101 2HG2 VAL 101 6.872 -12.690 2.868 809 H TYR 102 H TYR 102 2.102 -16.064 3.455 810 HA TYR 102 HA TYR 102 0.499 -14.876 5.581 811 HD1 TYR 102 HD2 TYR 102 0.233 -15.305 2.313 812 HD2 TYR 102 HD1 TYR 102 -2.850 -16.609 4.977 813 HE1 TYR 102 HE2 TYR 102 -1.453 -14.169 0.935 814 HE2 TYR 102 HE1 TYR 102 -4.525 -15.464 3.593 815 HH TYR 102 HH TYR 102 -3.861 -14.304 0.474 816 HB2 TYR 102 1HB TYR 102 0.367 -17.509 4.053 817 HB3 TYR 102 2HB TYR 102 -0.631 -17.219 5.473 818 H ASP 103 H ASP 103 0.877 -15.195 7.667 819 HA ASP 103 HA ASP 103 1.808 -15.672 9.622 820 HB2 ASP 103 1HB ASP 103 1.075 -18.018 9.255 821 HB3 ASP 103 2HB ASP 103 2.576 -18.361 8.404 822 H ASP 104 H ASP 104 3.283 -14.076 9.582 823 HA ASP 104 HA ASP 104 6.110 -14.829 9.342 824 HB2 ASP 104 1HB ASP 104 5.373 -13.741 7.149 825 HB3 ASP 104 2HB ASP 104 5.018 -12.282 8.059 826 H THR 105 H THR 105 4.924 -14.820 11.590 827 HA THR 105 HA THR 105 4.437 -12.359 12.929 828 HB THR 105 HB THR 105 4.250 -13.765 14.965 829 HG1 THR 105 HG1 THR 105 5.884 -15.254 14.740 830 HG21 THR 105 3HG2 THR 105 2.994 -15.136 12.544 831 HG22 THR 105 1HG2 THR 105 2.309 -13.773 13.431 832 HG23 THR 105 2HG2 THR 105 2.488 -15.334 14.222 833 H CYS 106 H CYS 106 7.127 -14.635 12.795 834 HA CYS 106 HA CYS 106 9.213 -14.760 13.588 835 HG CYS 106 HG CYS 106 11.832 -13.658 12.911 836 HB2 CYS 106 1HB CYS 106 9.423 -12.535 12.356 837 HB3 CYS 106 2HB CYS 106 9.196 -11.731 13.906 838 H ASP 107 H ASP 107 10.653 -13.797 15.623 839 HA ASP 107 HA ASP 107 11.002 -13.774 17.849 840 HB2 ASP 107 1HB ASP 107 9.686 -11.739 18.001 841 HB3 ASP 107 2HB ASP 107 8.174 -12.636 17.905 842 H LYS 108 H LYS 108 7.598 -14.591 18.344 843 HA LYS 108 HA LYS 108 6.400 -16.444 18.681 844 HB2 LYS 108 1HB LYS 108 8.888 -18.018 17.889 845 HB3 LYS 108 2HB LYS 108 7.295 -18.729 18.158 846 HG2 LYS 108 1HG LYS 108 6.381 -17.316 16.307 847 HG3 LYS 108 2HG LYS 108 8.005 -16.693 16.009 848 HD2 LYS 108 1HD LYS 108 7.526 -18.442 14.394 849 HD3 LYS 108 2HD LYS 108 8.770 -19.019 15.504 850 HE2 LYS 108 1HE LYS 108 7.130 -20.782 15.066 851 HE3 LYS 108 2HE LYS 108 7.058 -20.292 16.760 852 HZ1 LYS 108 3HZ LYS 108 4.863 -20.561 15.823 853 HZ2 LYS 108 1HZ LYS 108 5.194 -19.422 14.618 854 HZ3 LYS 108 2HZ LYS 108 5.115 -18.947 16.240 855 H LYS 109 H LYS 109 9.645 -16.766 20.154 856 HA LYS 109 HA LYS 109 10.410 -17.285 22.185 857 HB2 LYS 109 1HB LYS 109 7.661 -16.387 23.135 858 HB3 LYS 109 2HB LYS 109 9.018 -16.726 24.200 859 HG2 LYS 109 1HG LYS 109 10.295 -14.912 23.035 860 HG3 LYS 109 2HG LYS 109 8.821 -14.518 22.148 861 HD2 LYS 109 1HD LYS 109 7.665 -14.043 24.287 862 HD3 LYS 109 2HD LYS 109 9.135 -14.452 25.174 863 HE2 LYS 109 1HE LYS 109 8.971 -12.060 25.030 864 HE3 LYS 109 2HE LYS 109 10.288 -12.579 23.980 865 HZ1 LYS 109 3HZ LYS 109 8.854 -12.344 22.087 866 HZ2 LYS 109 1HZ LYS 109 8.885 -10.897 22.961 867 HZ3 LYS 109 2HZ LYS 109 7.545 -11.920 23.068 868 H ASN 110 H ASN 110 10.646 -19.450 21.645 869 HA ASN 110 HA ASN 110 8.979 -21.346 23.143 870 HB2 ASN 110 1HB ASN 110 8.058 -21.242 20.828 871 HB3 ASN 110 2HB ASN 110 9.640 -21.646 20.171 872 HD21 ASN 110 2HD2 ASN 110 7.023 -23.010 19.968 873 HD22 ASN 110 1HD2 ASN 110 7.317 -24.633 20.484 Start of MODEL 15 1 HA MET 1 HA MET 1 -7.653 14.711 -7.491 2 H1 MET 1 1H MET 1 -6.559 15.405 -5.501 3 H2 MET 1 2H MET 1 -7.021 16.744 -6.418 4 H3 MET 1 3H MET 1 -5.403 16.263 -6.381 5 HB2 MET 1 1HB MET 1 -5.391 16.191 -8.909 6 HB3 MET 1 2HB MET 1 -6.543 15.129 -9.707 7 HG2 MET 1 1HG MET 1 -8.381 16.647 -9.034 8 HG3 MET 1 2HG MET 1 -7.200 17.734 -8.305 9 HE1 MET 1 3HE MET 1 -5.312 19.028 -9.752 10 HE2 MET 1 1HE MET 1 -5.195 18.916 -11.506 11 HE3 MET 1 2HE MET 1 -4.781 17.523 -10.508 12 H LEU 2 H LEU 2 -6.201 13.498 -5.523 13 HA LEU 2 HA LEU 2 -4.091 11.907 -6.769 14 HG LEU 2 HG LEU 2 -6.029 10.310 -4.089 15 HB2 LEU 2 1HB LEU 2 -3.556 11.009 -4.713 16 HB3 LEU 2 2HB LEU 2 -4.078 12.626 -4.281 17 HD11 LEU 2 1HD1 LEU 2 -5.350 9.895 -1.779 18 HD12 LEU 2 2HD1 LEU 2 -4.018 11.038 -1.949 19 HD13 LEU 2 3HD1 LEU 2 -4.032 9.550 -2.898 20 HD21 LEU 2 3HD2 LEU 2 -5.787 12.897 -2.523 21 HD22 LEU 2 1HD2 LEU 2 -7.056 11.683 -2.346 22 HD23 LEU 2 2HD2 LEU 2 -6.914 12.592 -3.847 23 H GLU 3 H GLU 3 -7.515 11.692 -6.586 24 HA GLU 3 HA GLU 3 -7.734 8.858 -6.309 25 HB2 GLU 3 1HB GLU 3 -10.060 9.005 -6.845 26 HB3 GLU 3 2HB GLU 3 -9.670 10.374 -5.823 27 HG2 GLU 3 1HG GLU 3 -9.920 10.554 -8.836 28 HG3 GLU 3 2HG GLU 3 -11.264 10.824 -7.735 29 H ASP 4 H ASP 4 -6.848 10.879 -8.936 30 HA ASP 4 HA ASP 4 -7.210 9.125 -11.135 31 HB2 ASP 4 1HB ASP 4 -4.997 11.175 -10.676 32 HB3 ASP 4 2HB ASP 4 -5.417 10.456 -12.228 33 H TYR 5 H TYR 5 -4.886 9.188 -8.540 34 HA TYR 5 HA TYR 5 -3.003 7.279 -9.667 35 HD1 TYR 5 HD1 TYR 5 -3.537 10.628 -8.510 36 HD2 TYR 5 HD2 TYR 5 0.091 8.430 -7.950 37 HE1 TYR 5 HE1 TYR 5 -2.239 12.593 -9.197 38 HE2 TYR 5 HE2 TYR 5 1.384 10.405 -8.637 39 HH TYR 5 HH TYR 5 1.057 12.479 -9.948 40 HB2 TYR 5 1HB TYR 5 -3.234 8.461 -6.862 41 HB3 TYR 5 2HB TYR 5 -1.940 7.388 -7.378 42 H ALA 6 H ALA 6 -6.063 6.805 -8.698 43 HA ALA 6 HA ALA 6 -5.949 4.590 -6.916 44 HB1 ALA 6 3HB ALA 6 -8.014 5.907 -7.232 45 HB2 ALA 6 1HB ALA 6 -8.301 4.193 -7.549 46 HB3 ALA 6 2HB ALA 6 -8.143 5.330 -8.891 47 H ILE 7 H ILE 7 -4.547 3.032 -7.592 48 HA ILE 7 HA ILE 7 -4.937 1.704 -10.179 49 HB ILE 7 HB ILE 7 -2.935 1.021 -7.969 50 HG12 ILE 7 1HG1 ILE 7 -2.622 2.793 -10.445 51 HG13 ILE 7 2HG1 ILE 7 -2.441 3.275 -8.770 52 HG21 ILE 7 1HG2 ILE 7 -3.418 -0.867 -9.496 53 HG22 ILE 7 2HG2 ILE 7 -1.771 -0.282 -9.719 54 HG23 ILE 7 3HG2 ILE 7 -3.021 0.144 -10.889 55 HD11 ILE 7 3HD1 ILE 7 -0.305 3.139 -9.850 56 HD12 ILE 7 1HD1 ILE 7 -0.596 1.464 -10.310 57 HD13 ILE 7 2HD1 ILE 7 -0.418 1.895 -8.609 58 H SER 8 H SER 8 -6.220 -0.030 -10.341 59 HA SER 8 HA SER 8 -7.498 -1.200 -7.973 60 HG SER 8 HG SER 8 -8.544 0.477 -9.440 61 HB2 SER 8 1HB SER 8 -8.032 -1.634 -10.942 62 HB3 SER 8 2HB SER 8 -9.055 -2.172 -9.609 63 H LEU 9 H LEU 9 -7.661 -3.551 -7.761 64 HA LEU 9 HA LEU 9 -5.170 -4.897 -8.026 65 HG LEU 9 HG LEU 9 -6.642 -7.922 -7.762 66 HB2 LEU 9 1HB LEU 9 -6.676 -5.334 -6.169 67 HB3 LEU 9 2HB LEU 9 -7.928 -5.907 -7.255 68 HD11 LEU 9 1HD1 LEU 9 -4.459 -6.787 -5.991 69 HD12 LEU 9 2HD1 LEU 9 -4.372 -7.066 -7.731 70 HD13 LEU 9 3HD1 LEU 9 -4.499 -8.434 -6.629 71 HD21 LEU 9 3HD2 LEU 9 -6.670 -9.002 -5.550 72 HD22 LEU 9 1HD2 LEU 9 -8.089 -7.985 -5.784 73 HD23 LEU 9 2HD2 LEU 9 -6.760 -7.421 -4.768 74 H GLU 10 H GLU 10 -8.011 -4.783 -10.020 75 HA GLU 10 HA GLU 10 -7.600 -7.054 -11.671 76 HB2 GLU 10 1HB GLU 10 -9.204 -5.953 -13.206 77 HB3 GLU 10 2HB GLU 10 -9.763 -5.900 -11.537 78 HG2 GLU 10 1HG GLU 10 -8.995 -3.565 -11.339 79 HG3 GLU 10 2HG GLU 10 -8.419 -3.604 -13.000 80 H GLU 11 H GLU 11 -5.971 -3.993 -11.595 81 HA GLU 11 HA GLU 11 -4.798 -4.401 -14.299 82 HB2 GLU 11 1HB GLU 11 -4.675 -1.932 -14.514 83 HB3 GLU 11 2HB GLU 11 -6.334 -2.484 -14.325 84 HG2 GLU 11 1HG GLU 11 -6.346 -1.795 -11.992 85 HG3 GLU 11 2HG GLU 11 -4.653 -1.335 -12.074 86 H VAL 12 H VAL 12 -4.069 -4.349 -11.001 87 HA VAL 12 HA VAL 12 -1.776 -2.636 -10.966 88 HB VAL 12 HB VAL 12 -3.184 -3.153 -8.950 89 HG11 VAL 12 1HG1 VAL 12 -2.785 -5.180 -7.630 90 HG12 VAL 12 2HG1 VAL 12 -1.737 -5.822 -8.899 91 HG13 VAL 12 3HG1 VAL 12 -3.456 -5.573 -9.214 92 HG21 VAL 12 3HG2 VAL 12 -0.205 -3.653 -8.600 93 HG22 VAL 12 1HG2 VAL 12 -1.324 -3.184 -7.314 94 HG23 VAL 12 2HG2 VAL 12 -1.010 -2.082 -8.655 95 H ASN 13 H ASN 13 0.395 -3.107 -11.045 96 HA ASN 13 HA ASN 13 1.303 -5.935 -11.072 97 HB2 ASN 13 1HB ASN 13 2.454 -3.557 -12.611 98 HB3 ASN 13 2HB ASN 13 3.369 -5.032 -12.332 99 HD21 ASN 13 2HD2 ASN 13 -0.047 -4.536 -13.342 100 HD22 ASN 13 1HD2 ASN 13 0.090 -5.433 -14.802 101 H PHE 14 H PHE 14 1.645 -5.997 -8.816 102 HA PHE 14 HA PHE 14 2.563 -3.887 -7.214 103 HD1 PHE 14 HD2 PHE 14 1.603 -3.907 -4.745 104 HD2 PHE 14 HD1 PHE 14 0.289 -7.424 -6.759 105 HE1 PHE 14 HE2 PHE 14 -0.656 -3.597 -3.835 106 HE2 PHE 14 HE1 PHE 14 -1.966 -7.112 -5.843 107 HZ PHE 14 HZ PHE 14 -2.441 -5.195 -4.382 108 HB2 PHE 14 1HB PHE 14 2.601 -6.890 -6.774 109 HB3 PHE 14 2HB PHE 14 3.219 -5.788 -5.552 110 H ASN 15 H ASN 15 4.390 -6.239 -9.060 111 HA ASN 15 HA ASN 15 6.942 -5.726 -7.801 112 HB2 ASN 15 1HB ASN 15 6.345 -7.168 -10.418 113 HB3 ASN 15 2HB ASN 15 7.846 -7.254 -9.495 114 HD21 ASN 15 2HD2 ASN 15 5.690 -9.254 -10.297 115 HD22 ASN 15 1HD2 ASN 15 5.345 -10.100 -8.831 116 H ASP 16 H ASP 16 5.112 -4.060 -10.114 117 HA ASP 16 HA ASP 16 7.302 -2.744 -11.498 118 HB2 ASP 16 1HB ASP 16 5.031 -3.106 -12.575 119 HB3 ASP 16 2HB ASP 16 4.347 -1.976 -11.419 120 H PHE 17 H PHE 17 5.685 -2.375 -8.476 121 HA PHE 17 HA PHE 17 6.784 0.364 -8.113 122 HD1 PHE 17 HD1 PHE 17 4.690 1.547 -9.644 123 HD2 PHE 17 HD2 PHE 17 2.505 -1.449 -7.542 124 HE1 PHE 17 HE1 PHE 17 3.038 1.482 -11.453 125 HE2 PHE 17 HE2 PHE 17 0.853 -1.514 -9.361 126 HZ PHE 17 HZ PHE 17 1.126 -0.059 -11.324 127 HB2 PHE 17 1HB PHE 17 4.366 -0.464 -6.500 128 HB3 PHE 17 2HB PHE 17 4.861 1.131 -7.018 129 H ILE 18 H ILE 18 7.468 0.855 -5.927 130 HA ILE 18 HA ILE 18 8.267 -1.332 -4.198 131 HB ILE 18 HB ILE 18 8.307 1.676 -3.677 132 HG12 ILE 18 1HG1 ILE 18 10.636 -0.067 -4.612 133 HG13 ILE 18 2HG1 ILE 18 9.718 1.012 -5.656 134 HG21 ILE 18 1HG2 ILE 18 9.943 1.174 -1.879 135 HG22 ILE 18 2HG2 ILE 18 9.762 -0.552 -2.198 136 HG23 ILE 18 3HG2 ILE 18 8.394 0.381 -1.589 137 HD11 ILE 18 3HD1 ILE 18 10.470 2.927 -4.333 138 HD12 ILE 18 1HD1 ILE 18 11.815 2.005 -5.004 139 HD13 ILE 18 2HD1 ILE 18 11.403 1.838 -3.299 140 H VAL 19 H VAL 19 6.783 -2.260 -2.768 141 HA VAL 19 HA VAL 19 4.149 -0.935 -2.650 142 HB VAL 19 HB VAL 19 4.806 -3.767 -1.717 143 HG11 VAL 19 1HG1 VAL 19 2.413 -4.201 -2.134 144 HG12 VAL 19 2HG1 VAL 19 2.187 -2.519 -2.620 145 HG13 VAL 19 3HG1 VAL 19 2.639 -2.903 -0.958 146 HG21 VAL 19 3HG2 VAL 19 4.084 -4.593 -3.938 147 HG22 VAL 19 1HG2 VAL 19 5.537 -3.598 -4.052 148 HG23 VAL 19 2HG2 VAL 19 3.973 -2.931 -4.523 149 H VAL 20 H VAL 20 3.099 -0.498 -0.721 150 HA VAL 20 HA VAL 20 4.494 -0.881 1.862 151 HB VAL 20 HB VAL 20 2.978 1.635 0.969 152 HG11 VAL 20 1HG1 VAL 20 4.113 1.037 3.733 153 HG12 VAL 20 2HG1 VAL 20 2.406 1.144 3.310 154 HG13 VAL 20 3HG1 VAL 20 3.421 2.581 3.215 155 HG21 VAL 20 3HG2 VAL 20 5.888 1.315 1.807 156 HG22 VAL 20 1HG2 VAL 20 5.096 2.830 1.358 157 HG23 VAL 20 2HG2 VAL 20 5.307 1.556 0.160 158 H ASP 21 H ASP 21 3.220 -1.989 3.273 159 HA ASP 21 HA ASP 21 0.352 -2.312 2.715 160 HB2 ASP 21 1HB ASP 21 2.028 -4.219 3.517 161 HB3 ASP 21 2HB ASP 21 1.757 -3.552 5.121 162 H VAL 22 H VAL 22 -0.838 -0.590 3.413 163 HA VAL 22 HA VAL 22 -0.089 0.833 5.884 164 HB VAL 22 HB VAL 22 -1.958 2.456 5.187 165 HG11 VAL 22 1HG1 VAL 22 -0.540 3.573 3.473 166 HG12 VAL 22 2HG1 VAL 22 0.393 2.088 3.270 167 HG13 VAL 22 3HG1 VAL 22 0.434 2.955 4.807 168 HG21 VAL 22 3HG2 VAL 22 -2.716 2.404 2.837 169 HG22 VAL 22 1HG2 VAL 22 -3.200 0.923 3.676 170 HG23 VAL 22 2HG2 VAL 22 -1.828 0.901 2.563 171 H ARG 23 H ARG 23 -0.618 -0.933 7.276 172 HA ARG 23 HA ARG 23 -3.390 -0.824 8.194 173 HE ARG 23 HE ARG 23 -2.390 -4.872 5.694 174 HB2 ARG 23 1HB ARG 23 -2.098 -3.461 7.397 175 HB3 ARG 23 2HB ARG 23 -3.511 -3.359 8.436 176 HG2 ARG 23 1HG ARG 23 -4.760 -2.259 6.561 177 HG3 ARG 23 2HG ARG 23 -3.345 -2.481 5.526 178 HD2 ARG 23 1HD ARG 23 -4.972 -4.691 6.839 179 HD3 ARG 23 2HD ARG 23 -5.037 -4.223 5.141 180 HH11 ARG 23 1HH1 ARG 23 -5.438 -6.631 5.813 181 HH12 ARG 23 2HH1 ARG 23 -4.718 -8.127 5.322 182 HH21 ARG 23 1HH2 ARG 23 -1.466 -6.808 5.078 183 HH22 ARG 23 2HH2 ARG 23 -2.447 -8.237 4.919 184 H GLU 24 H GLU 24 -0.912 -3.303 9.137 185 HA GLU 24 HA GLU 24 -0.312 -2.095 11.693 186 HB2 GLU 24 1HB GLU 24 -2.627 -4.035 11.498 187 HB3 GLU 24 2HB GLU 24 -1.614 -4.105 12.933 188 HG2 GLU 24 1HG GLU 24 -2.193 -1.870 13.570 189 HG3 GLU 24 2HG GLU 24 -2.965 -1.553 12.020 190 H LEU 25 H LEU 25 0.761 -3.670 13.237 191 HA LEU 25 HA LEU 25 2.624 -5.405 11.938 192 HG LEU 25 HG LEU 25 2.970 -7.312 14.532 193 HB2 LEU 25 1HB LEU 25 3.257 -4.322 14.017 194 HB3 LEU 25 2HB LEU 25 1.901 -5.045 14.864 195 HD11 LEU 25 1HD1 LEU 25 5.367 -5.743 13.551 196 HD12 LEU 25 2HD1 LEU 25 4.366 -6.833 12.590 197 HD13 LEU 25 3HD1 LEU 25 5.330 -7.472 13.917 198 HD21 LEU 25 3HD2 LEU 25 3.200 -6.116 16.671 199 HD22 LEU 25 1HD2 LEU 25 4.661 -5.320 16.080 200 HD23 LEU 25 2HD2 LEU 25 4.636 -7.070 16.312 201 H ASP 26 H ASP 26 -0.435 -5.903 13.631 202 HA ASP 26 HA ASP 26 -0.435 -8.637 14.101 203 HB2 ASP 26 1HB ASP 26 -2.143 -7.177 15.021 204 HB3 ASP 26 2HB ASP 26 -2.738 -6.780 13.416 205 H GLU 27 H GLU 27 -1.613 -6.941 11.179 206 HA GLU 27 HA GLU 27 -2.247 -9.314 9.727 207 HB2 GLU 27 1HB GLU 27 -2.428 -7.806 7.739 208 HB3 GLU 27 2HB GLU 27 -3.390 -7.303 9.115 209 HG2 GLU 27 1HG GLU 27 -2.553 -5.290 8.414 210 HG3 GLU 27 2HG GLU 27 -1.384 -5.728 9.646 211 H TYR 28 H TYR 28 0.598 -7.186 9.847 212 HA TYR 28 HA TYR 28 2.151 -8.262 7.812 213 HD1 TYR 28 HD2 TYR 28 4.459 -6.457 7.156 214 HD2 TYR 28 HD1 TYR 28 5.046 -8.206 11.007 215 HE1 TYR 28 HE2 TYR 28 6.842 -6.676 6.688 216 HE2 TYR 28 HE1 TYR 28 7.441 -8.417 10.547 217 HH TYR 28 HH TYR 28 8.938 -8.565 8.599 218 HB2 TYR 28 1HB TYR 28 2.747 -6.222 8.964 219 HB3 TYR 28 2HB TYR 28 2.950 -7.060 10.489 220 H GLU 29 H GLU 29 1.516 -9.540 11.003 221 HA GLU 29 HA GLU 29 3.528 -11.604 10.963 222 HB2 GLU 29 1HB GLU 29 1.157 -11.192 12.825 223 HB3 GLU 29 2HB GLU 29 2.459 -12.337 13.090 224 HG2 GLU 29 1HG GLU 29 2.788 -9.334 12.988 225 HG3 GLU 29 2HG GLU 29 2.659 -10.281 14.463 226 H GLU 30 H GLU 30 -0.027 -11.514 10.420 227 HA GLU 30 HA GLU 30 -0.170 -14.412 10.170 228 HB2 GLU 30 1HB GLU 30 -2.612 -14.060 9.732 229 HB3 GLU 30 2HB GLU 30 -2.042 -13.367 11.246 230 HG2 GLU 30 1HG GLU 30 -2.035 -11.134 10.251 231 HG3 GLU 30 2HG GLU 30 -2.541 -11.805 8.702 232 H LEU 31 H LEU 31 -0.618 -11.680 7.871 233 HA LEU 31 HA LEU 31 0.555 -13.082 5.707 234 HG LEU 31 HG LEU 31 -2.681 -11.599 4.392 235 HB2 LEU 31 1HB LEU 31 -1.184 -13.587 4.241 236 HB3 LEU 31 2HB LEU 31 -1.780 -14.159 5.785 237 HD11 LEU 31 1HD1 LEU 31 -3.427 -13.581 3.184 238 HD12 LEU 31 2HD1 LEU 31 -4.785 -12.764 3.949 239 HD13 LEU 31 3HD1 LEU 31 -4.134 -14.241 4.663 240 HD21 LEU 31 3HD2 LEU 31 -2.901 -11.396 6.832 241 HD22 LEU 31 1HD2 LEU 31 -3.853 -12.886 6.877 242 HD23 LEU 31 2HD2 LEU 31 -4.471 -11.458 6.038 243 H HIS 32 H HIS 32 1.413 -11.637 4.306 244 HA HIS 32 HA HIS 32 -0.038 -9.302 3.410 245 HD1 HIS 32 HD1 HIS 32 2.915 -10.348 6.303 246 HD2 HIS 32 HD2 HIS 32 4.148 -7.166 3.936 247 HE1 HIS 32 HE1 HIS 32 5.412 -10.285 6.468 248 HE2 HIS 32 HE2 HIS 32 6.130 -8.343 5.068 249 HB2 HIS 32 1HB HIS 32 1.481 -7.553 4.141 250 HB3 HIS 32 2HB HIS 32 1.019 -8.457 5.578 251 H LEU 33 H LEU 33 1.614 -7.966 1.889 252 HA LEU 33 HA LEU 33 2.721 -9.865 0.003 253 HG LEU 33 HG LEU 33 0.473 -8.106 -0.552 254 HB2 LEU 33 1HB LEU 33 2.596 -6.841 0.048 255 HB3 LEU 33 2HB LEU 33 3.400 -7.721 -1.242 256 HD11 LEU 33 1HD1 LEU 33 1.676 -6.312 -2.676 257 HD12 LEU 33 2HD1 LEU 33 0.787 -5.795 -1.241 258 HD13 LEU 33 3HD1 LEU 33 -0.041 -6.694 -2.508 259 HD21 LEU 33 3HD2 LEU 33 0.323 -9.153 -2.781 260 HD22 LEU 33 1HD2 LEU 33 1.469 -10.007 -1.749 261 HD23 LEU 33 2HD2 LEU 33 2.059 -8.925 -3.013 262 HA PRO 34 HA PRO 34 6.863 -9.890 1.683 263 HB2 PRO 34 1HB PRO 34 8.268 -10.858 -0.457 264 HB3 PRO 34 2HB PRO 34 7.145 -11.859 0.471 265 HG2 PRO 34 1HG PRO 34 6.673 -10.418 -2.135 266 HG3 PRO 34 2HG PRO 34 6.268 -12.095 -1.698 267 HD2 PRO 34 1HD PRO 34 4.426 -10.098 -1.641 268 HD3 PRO 34 2HD PRO 34 4.369 -11.448 -0.490 269 H ASN 35 H ASN 35 6.051 -7.953 -1.093 270 HA ASN 35 HA ASN 35 8.536 -6.359 -0.951 271 HB2 ASN 35 1HB ASN 35 6.259 -6.256 -2.986 272 HB3 ASN 35 2HB ASN 35 7.753 -5.328 -3.073 273 HD21 ASN 35 2HD2 ASN 35 6.279 -8.429 -3.574 274 HD22 ASN 35 1HD2 ASN 35 7.638 -9.184 -4.323 275 H ALA 36 H ALA 36 5.876 -6.369 0.824 276 HA ALA 36 HA ALA 36 5.094 -3.544 0.566 277 HB1 ALA 36 3HB ALA 36 3.794 -5.757 2.177 278 HB2 ALA 36 1HB ALA 36 3.274 -5.192 0.590 279 HB3 ALA 36 2HB ALA 36 3.172 -4.114 1.985 280 H THR 37 H THR 37 5.936 -2.077 1.881 281 HA THR 37 HA THR 37 7.547 -2.680 4.187 282 HB THR 37 HB THR 37 6.546 0.008 3.115 283 HG1 THR 37 HG1 THR 37 8.037 -1.547 1.833 284 HG21 THR 37 3HG2 THR 37 8.860 -0.591 5.007 285 HG22 THR 37 1HG2 THR 37 7.349 0.218 5.443 286 HG23 THR 37 2HG2 THR 37 8.475 0.990 4.329 287 H LEU 38 H LEU 38 6.818 -2.872 6.236 288 HA LEU 38 HA LEU 38 4.106 -2.642 7.042 289 HG LEU 38 HG LEU 38 4.168 -4.584 9.135 290 HB2 LEU 38 1HB LEU 38 6.181 -3.978 8.077 291 HB3 LEU 38 2HB LEU 38 6.390 -2.532 9.037 292 HD11 LEU 38 1HD1 LEU 38 5.895 -3.358 11.298 293 HD12 LEU 38 2HD1 LEU 38 6.088 -4.956 10.572 294 HD13 LEU 38 3HD1 LEU 38 4.662 -4.601 11.540 295 HD21 LEU 38 3HD2 LEU 38 2.820 -3.230 10.633 296 HD22 LEU 38 1HD2 LEU 38 2.943 -2.463 9.052 297 HD23 LEU 38 2HD2 LEU 38 3.899 -1.847 10.404 298 H ILE 39 H ILE 39 3.214 -0.625 6.833 299 HA ILE 39 HA ILE 39 4.045 1.379 8.838 300 HB ILE 39 HB ILE 39 3.267 2.081 5.951 301 HG12 ILE 39 1HG1 ILE 39 5.855 2.699 7.463 302 HG13 ILE 39 2HG1 ILE 39 5.680 1.431 6.265 303 HG21 ILE 39 1HG2 ILE 39 3.476 4.470 6.602 304 HG22 ILE 39 2HG2 ILE 39 3.753 3.992 8.278 305 HG23 ILE 39 3HG2 ILE 39 2.198 3.666 7.513 306 HD11 ILE 39 3HD1 ILE 39 6.814 3.333 5.329 307 HD12 ILE 39 1HD1 ILE 39 5.483 4.399 5.773 308 HD13 ILE 39 2HD1 ILE 39 5.244 3.151 4.550 309 H SER 40 H SER 40 2.247 2.242 9.917 310 HA SER 40 HA SER 40 -0.381 1.086 9.245 311 HG SER 40 HG SER 40 0.277 -0.066 11.108 312 HB2 SER 40 1HB SER 40 0.505 2.680 11.682 313 HB3 SER 40 2HB SER 40 -1.084 1.947 11.459 314 H VAL 41 H VAL 41 -2.194 2.374 8.771 315 HA VAL 41 HA VAL 41 -1.846 4.582 7.112 316 HB VAL 41 HB VAL 41 -3.811 3.159 6.935 317 HG11 VAL 41 1HG1 VAL 41 -4.749 4.247 9.610 318 HG12 VAL 41 2HG1 VAL 41 -4.153 2.616 9.299 319 HG13 VAL 41 3HG1 VAL 41 -5.656 3.158 8.555 320 HG21 VAL 41 3HG2 VAL 41 -4.084 5.450 6.050 321 HG22 VAL 41 1HG2 VAL 41 -4.713 5.996 7.604 322 HG23 VAL 41 2HG2 VAL 41 -5.619 4.824 6.644 323 H ASN 42 H ASN 42 -2.329 4.573 10.626 324 HA ASN 42 HA ASN 42 -2.888 7.393 10.857 325 HB2 ASN 42 1HB ASN 42 -2.902 7.102 13.217 326 HB3 ASN 42 2HB ASN 42 -3.571 5.617 12.565 327 HD21 ASN 42 2HD2 ASN 42 -1.053 4.358 11.885 328 HD22 ASN 42 1HD2 ASN 42 -0.247 3.985 13.358 329 H ASP 43 H ASP 43 0.032 5.576 10.530 330 HA ASP 43 HA ASP 43 1.826 7.385 11.880 331 HB2 ASP 43 1HB ASP 43 2.478 5.177 9.880 332 HB3 ASP 43 2HB ASP 43 3.655 6.031 10.866 333 H GLN 44 H GLN 44 1.173 9.398 10.830 334 HA GLN 44 HA GLN 44 1.643 9.839 8.039 335 HB2 GLN 44 1HB GLN 44 1.059 11.649 10.388 336 HB3 GLN 44 2HB GLN 44 1.717 12.374 8.930 337 HG2 GLN 44 1HG GLN 44 -0.670 12.589 8.866 338 HG3 GLN 44 2HG GLN 44 -0.178 11.449 7.626 339 HE21 GLN 44 2HE2 GLN 44 -0.757 9.255 7.851 340 HE22 GLN 44 1HE2 GLN 44 -1.968 8.744 8.965 341 H GLU 45 H GLU 45 3.601 10.177 10.972 342 HA GLU 45 HA GLU 45 5.748 11.600 9.767 343 HB2 GLU 45 1HB GLU 45 7.049 10.825 11.891 344 HB3 GLU 45 2HB GLU 45 5.692 11.920 12.069 345 HG2 GLU 45 1HG GLU 45 5.581 10.326 13.839 346 HG3 GLU 45 2HG GLU 45 4.260 10.001 12.724 347 H LYS 46 H LYS 46 5.161 8.128 10.197 348 HA LYS 46 HA LYS 46 7.818 7.339 9.333 349 HB2 LYS 46 1HB LYS 46 6.604 5.949 10.951 350 HB3 LYS 46 2HB LYS 46 5.283 5.719 9.819 351 HG2 LYS 46 1HG LYS 46 6.622 3.704 9.987 352 HG3 LYS 46 2HG LYS 46 6.737 4.368 8.366 353 HD2 LYS 46 1HD LYS 46 8.919 5.232 10.219 354 HD3 LYS 46 2HD LYS 46 8.887 3.506 9.876 355 HE2 LYS 46 1HE LYS 46 8.979 3.995 7.444 356 HE3 LYS 46 2HE LYS 46 9.056 5.722 7.804 357 HZ1 LYS 46 3HZ LYS 46 11.079 3.667 8.535 358 HZ2 LYS 46 1HZ LYS 46 11.136 5.286 9.021 359 HZ3 LYS 46 2HZ LYS 46 11.244 4.895 7.387 360 H LEU 47 H LEU 47 4.580 7.520 7.946 361 HA LEU 47 HA LEU 47 5.163 6.200 5.492 362 HG LEU 47 HG LEU 47 3.021 7.705 3.659 363 HB2 LEU 47 1HB LEU 47 2.891 6.593 6.485 364 HB3 LEU 47 2HB LEU 47 3.029 8.279 6.051 365 HD11 LEU 47 1HD1 LEU 47 2.763 4.795 4.513 366 HD12 LEU 47 2HD1 LEU 47 4.159 5.520 3.714 367 HD13 LEU 47 3HD1 LEU 47 2.623 5.406 2.861 368 HD21 LEU 47 3HD2 LEU 47 0.705 6.930 3.502 369 HD22 LEU 47 1HD2 LEU 47 0.884 8.087 4.815 370 HD23 LEU 47 2HD2 LEU 47 0.758 6.360 5.169 371 H ALA 48 H ALA 48 5.037 9.606 6.433 372 HA ALA 48 HA ALA 48 5.803 10.737 3.946 373 HB1 ALA 48 3HB ALA 48 4.594 11.983 5.690 374 HB2 ALA 48 1HB ALA 48 6.079 12.812 5.205 375 HB3 ALA 48 2HB ALA 48 6.017 11.916 6.727 376 H ASP 49 H ASP 49 7.624 9.659 6.806 377 HA ASP 49 HA ASP 49 10.198 10.590 6.185 378 HB2 ASP 49 1HB ASP 49 9.744 9.609 8.364 379 HB3 ASP 49 2HB ASP 49 9.284 8.072 7.641 380 H PHE 50 H PHE 50 8.612 7.532 5.341 381 HA PHE 50 HA PHE 50 10.685 6.307 3.894 382 HD1 PHE 50 HD2 PHE 50 10.531 3.561 3.860 383 HD2 PHE 50 HD1 PHE 50 7.329 5.025 1.423 384 HE1 PHE 50 HE2 PHE 50 10.921 1.746 2.243 385 HE2 PHE 50 HE1 PHE 50 7.737 3.213 -0.187 386 HZ PHE 50 HZ PHE 50 9.530 1.576 0.217 387 HB2 PHE 50 1HB PHE 50 8.677 5.120 4.767 388 HB3 PHE 50 2HB PHE 50 7.665 5.962 3.603 389 H LEU 51 H LEU 51 8.109 8.487 2.901 390 HA LEU 51 HA LEU 51 8.774 8.459 0.087 391 HG LEU 51 HG LEU 51 6.120 7.931 1.752 392 HB2 LEU 51 1HB LEU 51 6.929 10.294 1.649 393 HB3 LEU 51 2HB LEU 51 7.013 10.178 -0.101 394 HD11 LEU 51 1HD1 LEU 51 4.500 9.745 1.734 395 HD12 LEU 51 2HD1 LEU 51 3.864 8.330 0.899 396 HD13 LEU 51 3HD1 LEU 51 4.451 9.711 -0.031 397 HD21 LEU 51 3HD2 LEU 51 6.066 8.034 -1.283 398 HD22 LEU 51 1HD2 LEU 51 5.382 6.753 -0.276 399 HD23 LEU 51 2HD2 LEU 51 7.122 7.022 -0.295 400 H SER 52 H SER 52 9.815 10.272 2.850 401 HA SER 52 HA SER 52 10.779 12.593 1.409 402 HG SER 52 HG SER 52 11.239 14.404 3.486 403 HB2 SER 52 1HB SER 52 9.981 12.724 3.778 404 HB3 SER 52 2HB SER 52 11.352 11.737 4.282 405 H GLN 53 H GLN 53 12.055 9.470 2.316 406 HA GLN 53 HA GLN 53 14.829 9.817 2.316 407 HB2 GLN 53 1HB GLN 53 13.286 7.469 1.101 408 HB3 GLN 53 2HB GLN 53 14.972 7.433 1.601 409 HG2 GLN 53 1HG GLN 53 12.562 7.731 3.408 410 HG3 GLN 53 2HG GLN 53 13.576 6.303 3.230 411 HE21 GLN 53 2HE2 GLN 53 12.934 7.993 5.605 412 HE22 GLN 53 1HE2 GLN 53 14.467 8.441 6.263 413 H HIS 54 H HIS 54 12.628 9.311 -0.303 414 HA HIS 54 HA HIS 54 14.045 10.818 -2.272 415 HD1 HIS 54 HD1 HIS 54 16.091 7.605 -1.354 416 HD2 HIS 54 HD2 HIS 54 16.096 9.774 -4.898 417 HE1 HIS 54 HE1 HIS 54 18.503 7.877 -1.975 418 HE2 HIS 54 HE2 HIS 54 18.466 9.027 -4.216 419 HB2 HIS 54 1HB HIS 54 13.746 7.784 -2.523 420 HB3 HIS 54 2HB HIS 54 13.641 8.772 -3.981 421 H LYS 55 H LYS 55 12.333 12.012 -2.946 422 HA LYS 55 HA LYS 55 9.590 11.138 -2.677 423 HB2 LYS 55 1HB LYS 55 10.746 13.551 -4.124 424 HB3 LYS 55 2HB LYS 55 9.028 13.255 -3.886 425 HG2 LYS 55 1HG LYS 55 9.418 13.340 -1.399 426 HG3 LYS 55 2HG LYS 55 11.089 13.808 -1.729 427 HD2 LYS 55 1HD LYS 55 9.659 15.787 -1.256 428 HD3 LYS 55 2HD LYS 55 10.335 15.838 -2.888 429 HE2 LYS 55 1HE LYS 55 8.155 14.924 -3.752 430 HE3 LYS 55 2HE LYS 55 7.509 15.043 -2.115 431 HZ1 LYS 55 3HZ LYS 55 6.873 16.928 -3.440 432 HZ2 LYS 55 1HZ LYS 55 8.485 17.297 -3.775 433 HZ3 LYS 55 2HZ LYS 55 7.899 17.427 -2.198 434 H ASP 56 H ASP 56 11.885 11.511 -5.317 435 HA ASP 56 HA ASP 56 10.046 10.736 -7.404 436 HB2 ASP 56 1HB ASP 56 11.791 12.390 -7.876 437 HB3 ASP 56 2HB ASP 56 13.051 11.252 -7.414 438 H LYS 57 H LYS 57 9.456 8.727 -6.349 439 HA LYS 57 HA LYS 57 10.700 6.541 -7.729 440 HB2 LYS 57 1HB LYS 57 11.253 5.095 -5.944 441 HB3 LYS 57 2HB LYS 57 11.899 6.641 -5.435 442 HG2 LYS 57 1HG LYS 57 9.390 5.286 -4.410 443 HG3 LYS 57 2HG LYS 57 10.915 5.493 -3.549 444 HD2 LYS 57 1HD LYS 57 10.572 7.956 -3.604 445 HD3 LYS 57 2HD LYS 57 9.016 7.705 -4.388 446 HE2 LYS 57 1HE LYS 57 8.714 8.111 -2.007 447 HE3 LYS 57 2HE LYS 57 8.223 6.468 -2.407 448 HZ1 LYS 57 3HZ LYS 57 9.511 6.525 -0.372 449 HZ2 LYS 57 1HZ LYS 57 10.800 7.266 -1.173 450 HZ3 LYS 57 2HZ LYS 57 10.367 5.684 -1.562 451 H LYS 58 H LYS 58 9.182 4.718 -7.878 452 HA LYS 58 HA LYS 58 6.407 5.655 -7.738 453 HB2 LYS 58 1HB LYS 58 7.594 4.673 -9.828 454 HB3 LYS 58 2HB LYS 58 7.336 3.101 -9.063 455 HG2 LYS 58 1HG LYS 58 4.993 3.267 -9.232 456 HG3 LYS 58 2HG LYS 58 5.036 5.018 -9.450 457 HD2 LYS 58 1HD LYS 58 4.477 3.888 -11.556 458 HD3 LYS 58 2HD LYS 58 6.009 4.750 -11.673 459 HE2 LYS 58 1HE LYS 58 7.232 2.612 -11.369 460 HE3 LYS 58 2HE LYS 58 5.693 1.755 -11.255 461 HZ1 LYS 58 3HZ LYS 58 5.197 2.547 -13.520 462 HZ2 LYS 58 1HZ LYS 58 6.554 1.539 -13.455 463 HZ3 LYS 58 2HZ LYS 58 6.745 3.213 -13.611 464 H VAL 59 H VAL 59 5.698 5.331 -5.663 465 HA VAL 59 HA VAL 59 5.891 2.621 -4.472 466 HB VAL 59 HB VAL 59 5.721 5.363 -3.157 467 HG11 VAL 59 1HG1 VAL 59 4.070 4.003 -1.948 468 HG12 VAL 59 2HG1 VAL 59 5.488 4.263 -0.936 469 HG13 VAL 59 3HG1 VAL 59 5.249 2.707 -1.738 470 HG21 VAL 59 3HG2 VAL 59 7.735 4.623 -1.977 471 HG22 VAL 59 1HG2 VAL 59 7.952 4.437 -3.716 472 HG23 VAL 59 2HG2 VAL 59 7.614 3.024 -2.716 473 H LEU 60 H LEU 60 4.122 1.583 -3.775 474 HA LEU 60 HA LEU 60 1.451 2.713 -4.395 475 HG LEU 60 HG LEU 60 -0.100 0.129 -4.119 476 HB2 LEU 60 1HB LEU 60 2.191 0.919 -5.960 477 HB3 LEU 60 2HB LEU 60 2.410 -0.168 -4.599 478 HD11 LEU 60 1HD1 LEU 60 -0.084 1.316 -6.906 479 HD12 LEU 60 2HD1 LEU 60 -0.480 2.166 -5.411 480 HD13 LEU 60 3HD1 LEU 60 -1.518 0.862 -5.981 481 HD21 LEU 60 3HD2 LEU 60 0.813 -1.912 -5.119 482 HD22 LEU 60 1HD2 LEU 60 0.684 -1.199 -6.728 483 HD23 LEU 60 2HD2 LEU 60 -0.770 -1.529 -5.784 484 H LEU 61 H LEU 61 0.486 3.151 -2.477 485 HA LEU 61 HA LEU 61 0.881 1.569 -0.062 486 HG LEU 61 HG LEU 61 1.308 3.775 1.412 487 HB2 LEU 61 1HB LEU 61 -0.848 3.980 -0.737 488 HB3 LEU 61 2HB LEU 61 -1.001 3.148 0.799 489 HD11 LEU 61 1HD1 LEU 61 2.394 3.807 -0.767 490 HD12 LEU 61 2HD1 LEU 61 2.623 5.355 0.041 491 HD13 LEU 61 3HD1 LEU 61 1.437 5.206 -1.259 492 HD21 LEU 61 3HD2 LEU 61 -0.346 6.143 0.463 493 HD22 LEU 61 1HD2 LEU 61 0.951 6.207 1.659 494 HD23 LEU 61 2HD2 LEU 61 -0.518 5.302 2.004 495 H HIS 62 H HIS 62 -0.067 -0.475 -0.220 496 HA HIS 62 HA HIS 62 -2.725 -0.733 -1.456 497 HD1 HIS 62 HD1 HIS 62 -2.771 -4.580 0.093 498 HD2 HIS 62 HD2 HIS 62 1.100 -3.130 0.083 499 HE1 HIS 62 HE1 HIS 62 -1.511 -6.035 1.681 500 HE2 HIS 62 HE2 HIS 62 0.754 -4.988 1.827 501 HB2 HIS 62 1HB HIS 62 -2.295 -2.987 -1.850 502 HB3 HIS 62 2HB HIS 62 -0.680 -2.308 -1.979 503 H CYS 63 H CYS 63 -4.517 -1.517 -0.411 504 HA CYS 63 HA CYS 63 -4.393 -1.802 2.558 505 HG CYS 63 HG CYS 63 -6.660 -0.847 4.242 506 HB2 CYS 63 1HB CYS 63 -5.399 0.333 2.064 507 HB3 CYS 63 2HB CYS 63 -6.466 -0.382 0.852 508 H ARG 64 H ARG 64 -6.020 -3.111 3.537 509 HA ARG 64 HA ARG 64 -6.616 -5.618 2.547 510 HE ARG 64 HE ARG 64 -10.369 -5.193 5.905 511 HB2 ARG 64 1HB ARG 64 -6.787 -4.686 4.951 512 HB3 ARG 64 2HB ARG 64 -8.382 -4.112 4.533 513 HG2 ARG 64 1HG ARG 64 -7.642 -7.040 4.322 514 HG3 ARG 64 2HG ARG 64 -8.153 -6.330 5.846 515 HD2 ARG 64 1HD ARG 64 -9.792 -6.422 3.295 516 HD3 ARG 64 2HD ARG 64 -9.997 -7.470 4.698 517 HH11 ARG 64 1HH1 ARG 64 -11.565 -6.058 2.713 518 HH12 ARG 64 2HH1 ARG 64 -12.944 -5.013 2.819 519 HH21 ARG 64 1HH2 ARG 64 -12.203 -3.840 6.023 520 HH22 ARG 64 2HH2 ARG 64 -13.309 -3.768 4.686 521 H ALA 65 H ALA 65 -8.644 -2.685 2.423 522 HA ALA 65 HA ALA 65 -10.404 -3.953 0.380 523 HB1 ALA 65 3HB ALA 65 -11.614 -3.291 2.434 524 HB2 ALA 65 1HB ALA 65 -12.134 -2.331 1.049 525 HB3 ALA 65 2HB ALA 65 -11.046 -1.631 2.251 526 H GLY 66 H GLY 66 -9.370 -0.613 1.350 527 HA2 GLY 66 1HA GLY 66 -7.806 0.113 -0.759 528 HA3 GLY 66 2HA GLY 66 -9.425 0.333 -1.392 529 H ARG 67 H ARG 67 -10.241 1.134 1.515 530 HA ARG 67 HA ARG 67 -10.088 3.942 1.011 531 HE ARG 67 HE ARG 67 -10.826 6.800 4.550 532 HB2 ARG 67 1HB ARG 67 -12.074 3.134 2.106 533 HB3 ARG 67 2HB ARG 67 -11.143 2.379 3.392 534 HG2 ARG 67 1HG ARG 67 -12.272 4.411 4.192 535 HG3 ARG 67 2HG ARG 67 -10.521 4.573 4.285 536 HD2 ARG 67 1HD ARG 67 -10.740 5.782 1.966 537 HD3 ARG 67 2HD ARG 67 -12.446 5.943 2.397 538 HH11 ARG 67 1HH1 ARG 67 -11.943 7.904 1.414 539 HH12 ARG 67 2HH1 ARG 67 -11.613 9.570 1.756 540 HH21 ARG 67 1HH2 ARG 67 -10.366 8.994 4.965 541 HH22 ARG 67 2HH2 ARG 67 -10.735 10.183 3.755 542 H ARG 68 H ARG 68 -8.385 1.827 3.362 543 HA ARG 68 HA ARG 68 -7.055 3.953 4.744 544 HE ARG 68 HE ARG 68 -9.142 1.262 8.051 545 HB2 ARG 68 1HB ARG 68 -6.182 1.044 4.477 546 HB3 ARG 68 2HB ARG 68 -5.557 2.199 5.650 547 HG2 ARG 68 1HG ARG 68 -8.384 1.129 5.512 548 HG3 ARG 68 2HG ARG 68 -7.159 0.713 6.701 549 HD2 ARG 68 1HD ARG 68 -7.154 3.099 7.475 550 HD3 ARG 68 2HD ARG 68 -8.471 3.432 6.346 551 HH11 ARG 68 1HH1 ARG 68 -8.914 4.774 8.133 552 HH12 ARG 68 2HH1 ARG 68 -10.044 4.929 9.436 553 HH21 ARG 68 1HH2 ARG 68 -10.609 1.494 9.753 554 HH22 ARG 68 2HH2 ARG 68 -11.004 3.073 10.351 555 H ALA 69 H ALA 69 -6.363 2.165 1.843 556 HA ALA 69 HA ALA 69 -3.708 2.972 1.309 557 HB1 ALA 69 3HB ALA 69 -5.940 2.348 -0.666 558 HB2 ALA 69 1HB ALA 69 -4.846 1.171 0.066 559 HB3 ALA 69 2HB ALA 69 -4.216 2.393 -1.035 560 H LEU 70 H LEU 70 -6.817 4.322 0.228 561 HA LEU 70 HA LEU 70 -5.941 6.609 -1.100 562 HG LEU 70 HG LEU 70 -8.339 8.511 0.102 563 HB2 LEU 70 1HB LEU 70 -8.227 5.815 -1.315 564 HB3 LEU 70 2HB LEU 70 -8.516 6.023 0.402 565 HD11 LEU 70 1HD1 LEU 70 -8.445 9.508 -2.127 566 HD12 LEU 70 2HD1 LEU 70 -8.273 7.914 -2.867 567 HD13 LEU 70 3HD1 LEU 70 -6.953 8.594 -1.913 568 HD21 LEU 70 3HD2 LEU 70 -10.473 7.186 -1.603 569 HD22 LEU 70 1HD2 LEU 70 -10.537 8.825 -0.945 570 HD23 LEU 70 2HD2 LEU 70 -10.545 7.440 0.144 571 H ASP 71 H ASP 71 -7.121 6.328 2.242 572 HA ASP 71 HA ASP 71 -7.085 9.004 2.968 573 HB2 ASP 71 1HB ASP 71 -8.297 7.187 4.160 574 HB3 ASP 71 2HB ASP 71 -6.765 6.554 4.751 575 H ALA 72 H ALA 72 -4.653 6.502 3.611 576 HA ALA 72 HA ALA 72 -2.718 8.012 4.963 577 HB1 ALA 72 3HB ALA 72 -2.747 5.541 4.825 578 HB2 ALA 72 1HB ALA 72 -1.186 6.192 4.332 579 HB3 ALA 72 2HB ALA 72 -2.326 5.625 3.114 580 H ALA 73 H ALA 73 -3.046 7.268 1.492 581 HA ALA 73 HA ALA 73 -0.814 8.765 0.586 582 HB1 ALA 73 3HB ALA 73 -1.805 6.913 -0.709 583 HB2 ALA 73 1HB ALA 73 -1.724 8.397 -1.663 584 HB3 ALA 73 2HB ALA 73 -3.263 7.871 -0.977 585 H LYS 74 H LYS 74 -4.136 9.737 1.336 586 HA LYS 74 HA LYS 74 -4.229 12.126 -0.217 587 HB2 LYS 74 1HB LYS 74 -5.718 11.571 2.382 588 HB3 LYS 74 2HB LYS 74 -6.056 12.896 1.278 589 HG2 LYS 74 1HG LYS 74 -6.459 10.943 -0.464 590 HG3 LYS 74 2HG LYS 74 -6.652 9.964 0.987 591 HD2 LYS 74 1HD LYS 74 -8.845 10.676 0.321 592 HD3 LYS 74 2HD LYS 74 -8.425 11.612 1.758 593 HE2 LYS 74 1HE LYS 74 -7.837 13.539 0.337 594 HE3 LYS 74 2HE LYS 74 -8.177 12.585 -1.113 595 HZ1 LYS 74 3HZ LYS 74 -10.183 13.247 0.967 596 HZ2 LYS 74 1HZ LYS 74 -10.470 12.488 -0.514 597 HZ3 LYS 74 2HZ LYS 74 -9.979 14.104 -0.471 598 H SER 75 H SER 75 -3.524 11.529 3.206 599 HA SER 75 HA SER 75 -2.787 14.079 4.012 600 HG SER 75 HG SER 75 -3.909 11.534 5.079 601 HB2 SER 75 1HB SER 75 -1.577 11.443 4.965 602 HB3 SER 75 2HB SER 75 -1.577 12.971 5.843 603 H MET 76 H MET 76 -0.801 11.560 2.462 604 HA MET 76 HA MET 76 1.693 12.918 2.623 605 HB2 MET 76 1HB MET 76 0.790 10.735 0.704 606 HB3 MET 76 2HB MET 76 2.457 11.249 0.950 607 HG2 MET 76 1HG MET 76 0.664 9.928 2.989 608 HG3 MET 76 2HG MET 76 2.058 9.223 2.176 609 HE1 MET 76 3HE MET 76 2.165 11.270 6.136 610 HE2 MET 76 1HE MET 76 1.267 9.871 5.545 611 HE3 MET 76 2HE MET 76 0.791 11.501 5.054 612 H HIS 77 H HIS 77 -0.708 12.717 -0.038 613 HA HIS 77 HA HIS 77 0.622 14.328 -1.918 614 HD1 HIS 77 HD1 HIS 77 -1.245 14.129 -4.940 615 HD2 HIS 77 HD2 HIS 77 -1.018 10.978 -2.246 616 HE1 HIS 77 HE1 HIS 77 -0.867 12.075 -6.328 617 HE2 HIS 77 HE2 HIS 77 -0.910 10.172 -4.688 618 HB2 HIS 77 1HB HIS 77 -2.263 13.561 -1.496 619 HB3 HIS 77 2HB HIS 77 -1.906 14.843 -2.643 620 H GLU 78 H GLU 78 -1.380 15.187 0.835 621 HA GLU 78 HA GLU 78 -1.544 17.992 0.325 622 HB2 GLU 78 1HB GLU 78 -1.904 16.417 2.907 623 HB3 GLU 78 2HB GLU 78 -2.362 18.101 2.685 624 HG2 GLU 78 1HG GLU 78 -3.505 15.818 1.062 625 HG3 GLU 78 2HG GLU 78 -4.249 16.441 2.519 626 H LEU 79 H LEU 79 0.786 15.925 2.008 627 HA LEU 79 HA LEU 79 2.348 18.077 3.124 628 HG LEU 79 HG LEU 79 1.406 15.047 4.124 629 HB2 LEU 79 1HB LEU 79 3.234 15.220 2.572 630 HB3 LEU 79 2HB LEU 79 4.068 16.381 3.594 631 HD11 LEU 79 1HD1 LEU 79 4.017 14.880 5.632 632 HD12 LEU 79 2HD1 LEU 79 3.302 13.625 4.620 633 HD13 LEU 79 3HD1 LEU 79 2.498 14.112 6.109 634 HD21 LEU 79 3HD2 LEU 79 1.167 17.341 4.891 635 HD22 LEU 79 1HD2 LEU 79 2.700 17.249 5.766 636 HD23 LEU 79 2HD2 LEU 79 1.323 16.275 6.281 637 H GLY 80 H GLY 80 2.110 16.663 -0.015 638 HA2 GLY 80 1HA GLY 80 2.921 18.062 -1.851 639 HA3 GLY 80 2HA GLY 80 4.419 18.291 -0.966 640 H TYR 81 H TYR 81 3.420 15.103 -0.599 641 HA TYR 81 HA TYR 81 5.264 14.078 -2.641 642 HD1 TYR 81 HD2 TYR 81 7.176 13.054 -1.208 643 HD2 TYR 81 HD1 TYR 81 3.919 13.171 1.556 644 HE1 TYR 81 HE2 TYR 81 8.737 13.564 0.618 645 HE2 TYR 81 HE1 TYR 81 5.485 13.690 3.374 646 HH TYR 81 HH TYR 81 7.925 13.377 3.865 647 HB2 TYR 81 1HB TYR 81 3.489 12.533 -0.690 648 HB3 TYR 81 2HB TYR 81 4.827 11.876 -1.631 649 H THR 82 H THR 82 4.409 12.100 -3.926 650 HA THR 82 HA THR 82 1.552 12.168 -4.580 651 HB THR 82 HB THR 82 2.198 11.957 -7.108 652 HG1 THR 82 HG1 THR 82 4.384 11.767 -7.042 653 HG21 THR 82 3HG2 THR 82 2.583 14.676 -5.798 654 HG22 THR 82 1HG2 THR 82 1.037 13.971 -6.282 655 HG23 THR 82 2HG2 THR 82 2.237 14.395 -7.504 656 HA PRO 83 HA PRO 83 3.194 7.748 -4.490 657 HB2 PRO 83 1HB PRO 83 1.892 6.833 -2.288 658 HB3 PRO 83 2HB PRO 83 3.453 7.657 -2.157 659 HG2 PRO 83 1HG PRO 83 0.679 8.790 -1.753 660 HG3 PRO 83 2HG PRO 83 2.120 8.964 -0.725 661 HD2 PRO 83 1HD PRO 83 1.370 10.883 -2.505 662 HD3 PRO 83 2HD PRO 83 3.072 10.576 -2.104 663 H TYR 84 H TYR 84 1.957 6.035 -5.265 664 HA TYR 84 HA TYR 84 -0.812 6.488 -6.068 665 HD1 TYR 84 HD2 TYR 84 2.921 5.544 -7.196 666 HD2 TYR 84 HD1 TYR 84 -0.864 5.563 -9.187 667 HE1 TYR 84 HE2 TYR 84 3.944 6.625 -9.151 668 HE2 TYR 84 HE1 TYR 84 0.166 6.642 -11.134 669 HH TYR 84 HH TYR 84 2.124 7.955 -11.701 670 HB2 TYR 84 1HB TYR 84 1.010 4.060 -6.437 671 HB3 TYR 84 2HB TYR 84 -0.585 4.255 -7.164 672 H TYR 85 H TYR 85 -2.339 4.532 -5.674 673 HA TYR 85 HA TYR 85 -1.870 3.107 -3.181 674 HD1 TYR 85 HD2 TYR 85 -3.671 6.856 -4.264 675 HD2 TYR 85 HD1 TYR 85 -6.088 3.613 -2.864 676 HE1 TYR 85 HE2 TYR 85 -5.671 7.899 -5.240 677 HE2 TYR 85 HE1 TYR 85 -8.068 4.668 -3.844 678 HH TYR 85 HH TYR 85 -7.941 7.110 -6.074 679 HB2 TYR 85 1HB TYR 85 -3.830 3.892 -2.015 680 HB3 TYR 85 2HB TYR 85 -2.864 5.287 -2.451 681 H LEU 86 H LEU 86 -3.366 1.383 -2.845 682 HA LEU 86 HA LEU 86 -4.443 0.345 -5.391 683 HG LEU 86 HG LEU 86 -2.646 -2.952 -4.958 684 HB2 LEU 86 1HB LEU 86 -2.293 -0.662 -4.704 685 HB3 LEU 86 2HB LEU 86 -2.989 -1.140 -3.176 686 HD11 LEU 86 1HD1 LEU 86 -4.648 -4.222 -4.404 687 HD12 LEU 86 2HD1 LEU 86 -5.418 -2.759 -3.785 688 HD13 LEU 86 3HD1 LEU 86 -3.988 -3.411 -2.986 689 HD21 LEU 86 3HD2 LEU 86 -5.096 -1.713 -6.216 690 HD22 LEU 86 1HD2 LEU 86 -4.349 -3.246 -6.674 691 HD23 LEU 86 2HD2 LEU 86 -3.469 -1.736 -6.902 692 H GLU 87 H GLU 87 -6.513 0.331 -5.297 693 HA GLU 87 HA GLU 87 -8.035 -0.475 -2.914 694 HB2 GLU 87 1HB GLU 87 -8.966 0.499 -5.654 695 HB3 GLU 87 2HB GLU 87 -10.030 0.100 -4.307 696 HG2 GLU 87 1HG GLU 87 -8.993 1.915 -2.968 697 HG3 GLU 87 2HG GLU 87 -7.968 2.325 -4.340 698 H GLY 88 H GLY 88 -7.706 -2.598 -2.701 699 HA2 GLY 88 1HA GLY 88 -8.918 -4.476 -4.470 700 HA3 GLY 88 2HA GLY 88 -7.161 -4.538 -4.579 701 H ASN 89 H ASN 89 -8.836 -6.622 -3.665 702 HA ASN 89 HA ASN 89 -8.946 -6.659 -0.781 703 HB2 ASN 89 1HB ASN 89 -10.573 -7.813 -2.380 704 HB3 ASN 89 2HB ASN 89 -9.336 -9.010 -2.687 705 HD21 ASN 89 2HD2 ASN 89 -11.996 -9.246 -1.477 706 HD22 ASN 89 1HD2 ASN 89 -11.760 -9.965 0.069 707 H VAL 90 H VAL 90 -7.286 -7.225 0.534 708 HA VAL 90 HA VAL 90 -4.732 -7.941 -0.367 709 HB VAL 90 HB VAL 90 -5.097 -6.837 1.818 710 HG11 VAL 90 1HG1 VAL 90 -6.100 -9.524 2.813 711 HG12 VAL 90 2HG1 VAL 90 -7.069 -8.067 2.590 712 HG13 VAL 90 3HG1 VAL 90 -5.793 -8.098 3.807 713 HG21 VAL 90 3HG2 VAL 90 -3.373 -8.047 3.126 714 HG22 VAL 90 1HG2 VAL 90 -2.928 -7.952 1.421 715 HG23 VAL 90 2HG2 VAL 90 -3.560 -9.460 2.088 716 H TYR 91 H TYR 91 -7.426 -9.943 0.599 717 HA TYR 91 HA TYR 91 -5.944 -12.399 0.870 718 HD1 TYR 91 HD1 TYR 91 -6.657 -13.154 3.351 719 HD2 TYR 91 HD2 TYR 91 -9.589 -10.268 2.210 720 HE1 TYR 91 HE1 TYR 91 -6.652 -12.246 5.630 721 HE2 TYR 91 HE2 TYR 91 -9.585 -9.361 4.492 722 HH TYR 91 HH TYR 91 -7.224 -10.315 6.854 723 HB2 TYR 91 1HB TYR 91 -8.961 -11.969 0.628 724 HB3 TYR 91 2HB TYR 91 -8.166 -13.427 1.218 725 H ASP 92 H ASP 92 -7.415 -10.672 -1.748 726 HA ASP 92 HA ASP 92 -7.617 -12.964 -3.546 727 HB2 ASP 92 1HB ASP 92 -8.382 -10.047 -3.776 728 HB3 ASP 92 2HB ASP 92 -8.233 -11.012 -5.239 729 H PHE 93 H PHE 93 -5.124 -10.758 -2.727 730 HA PHE 93 HA PHE 93 -3.823 -10.270 -5.135 731 HD1 PHE 93 HD2 PHE 93 -4.467 -8.492 -4.393 732 HD2 PHE 93 HD1 PHE 93 -1.610 -8.849 -1.249 733 HE1 PHE 93 HE2 PHE 93 -5.017 -6.225 -3.650 734 HE2 PHE 93 HE1 PHE 93 -2.165 -6.589 -0.519 735 HZ PHE 93 HZ PHE 93 -3.857 -5.259 -1.705 736 HB2 PHE 93 1HB PHE 93 -2.509 -10.869 -2.462 737 HB3 PHE 93 2HB PHE 93 -1.670 -10.184 -3.852 738 H GLU 94 H GLU 94 -3.494 -13.179 -3.101 739 HA GLU 94 HA GLU 94 -1.544 -14.526 -4.590 740 HB2 GLU 94 1HB GLU 94 -3.492 -15.279 -2.457 741 HB3 GLU 94 2HB GLU 94 -2.939 -16.623 -3.445 742 HG2 GLU 94 1HG GLU 94 -1.031 -14.703 -2.082 743 HG3 GLU 94 2HG GLU 94 -1.638 -16.162 -1.309 744 H LYS 95 H LYS 95 -5.112 -14.644 -4.970 745 HA LYS 95 HA LYS 95 -4.950 -16.655 -7.047 746 HB2 LYS 95 1HB LYS 95 -7.410 -16.357 -7.270 747 HB3 LYS 95 2HB LYS 95 -6.905 -16.703 -5.623 748 HG2 LYS 95 1HG LYS 95 -7.138 -14.329 -5.044 749 HG3 LYS 95 2HG LYS 95 -7.642 -13.968 -6.690 750 HD2 LYS 95 1HD LYS 95 -9.177 -15.932 -4.954 751 HD3 LYS 95 2HD LYS 95 -9.474 -14.199 -4.868 752 HE2 LYS 95 1HE LYS 95 -11.112 -15.187 -6.335 753 HE3 LYS 95 2HE LYS 95 -10.012 -14.207 -7.303 754 HZ1 LYS 95 3HZ LYS 95 -10.561 -16.350 -8.327 755 HZ2 LYS 95 1HZ LYS 95 -9.856 -17.161 -7.019 756 HZ3 LYS 95 2HZ LYS 95 -8.904 -16.202 -8.035 757 H TYR 96 H TYR 96 -4.732 -13.213 -6.984 758 HA TYR 96 HA TYR 96 -5.110 -12.904 -9.859 759 HD1 TYR 96 HD1 TYR 96 -6.907 -11.727 -7.129 760 HD2 TYR 96 HD2 TYR 96 -5.700 -9.481 -10.558 761 HE1 TYR 96 HE1 TYR 96 -9.203 -10.906 -7.401 762 HE2 TYR 96 HE2 TYR 96 -7.998 -8.662 -10.824 763 HH TYR 96 HH TYR 96 -10.269 -9.307 -10.216 764 HB2 TYR 96 1HB TYR 96 -4.396 -11.027 -7.605 765 HB3 TYR 96 2HB TYR 96 -4.027 -10.545 -9.254 766 H GLY 97 H GLY 97 -2.558 -13.890 -7.779 767 HA2 GLY 97 1HA GLY 97 -0.806 -15.175 -8.841 768 HA3 GLY 97 2HA GLY 97 -0.748 -13.999 -10.144 769 H PHE 98 H PHE 98 -1.062 -12.403 -7.246 770 HA PHE 98 HA PHE 98 1.795 -11.720 -7.115 771 HD1 PHE 98 HD1 PHE 98 1.925 -9.316 -8.322 772 HD2 PHE 98 HD2 PHE 98 -2.207 -9.849 -7.341 773 HE1 PHE 98 HE1 PHE 98 1.275 -8.248 -10.439 774 HE2 PHE 98 HE2 PHE 98 -2.842 -8.776 -9.461 775 HZ PHE 98 HZ PHE 98 -1.104 -7.979 -11.011 776 HB2 PHE 98 1HB PHE 98 -0.573 -10.386 -5.722 777 HB3 PHE 98 2HB PHE 98 1.059 -9.739 -5.885 778 H ARG 99 H ARG 99 2.944 -12.967 -5.729 779 HA ARG 99 HA ARG 99 1.697 -14.758 -3.924 780 HE ARG 99 HE ARG 99 7.725 -13.190 -3.684 781 HB2 ARG 99 1HB ARG 99 3.855 -15.557 -3.312 782 HB3 ARG 99 2HB ARG 99 3.926 -15.196 -5.030 783 HG2 ARG 99 1HG ARG 99 5.383 -13.385 -4.735 784 HG3 ARG 99 2HG ARG 99 4.906 -13.133 -3.053 785 HD2 ARG 99 1HD ARG 99 6.026 -15.265 -2.446 786 HD3 ARG 99 2HD ARG 99 6.554 -15.443 -4.117 787 HH11 ARG 99 1HH1 ARG 99 7.278 -15.616 -1.163 788 HH12 ARG 99 2HH1 ARG 99 8.716 -15.166 -0.305 789 HH21 ARG 99 1HH2 ARG 99 9.596 -12.587 -2.504 790 HH22 ARG 99 2HH2 ARG 99 10.012 -13.434 -1.047 791 H MET 100 H MET 100 2.074 -14.929 -1.646 792 HA MET 100 HA MET 100 2.408 -12.408 -0.153 793 HB2 MET 100 1HB MET 100 -0.004 -14.275 0.107 794 HB3 MET 100 2HB MET 100 0.349 -12.935 1.187 795 HG2 MET 100 1HG MET 100 0.023 -11.345 -0.649 796 HG3 MET 100 2HG MET 100 -0.282 -12.678 -1.763 797 HE1 MET 100 3HE MET 100 -3.044 -11.625 1.767 798 HE2 MET 100 1HE MET 100 -1.537 -10.783 1.409 799 HE3 MET 100 2HE MET 100 -1.503 -12.453 1.983 800 H VAL 101 H VAL 101 3.219 -12.722 1.876 801 HA VAL 101 HA VAL 101 4.264 -15.378 2.527 802 HB VAL 101 HB VAL 101 5.652 -14.092 4.260 803 HG11 VAL 101 1HG1 VAL 101 6.578 -14.831 2.107 804 HG12 VAL 101 2HG1 VAL 101 7.265 -13.278 2.580 805 HG13 VAL 101 3HG1 VAL 101 6.016 -13.345 1.334 806 HG21 VAL 101 3HG2 VAL 101 4.248 -12.055 4.409 807 HG22 VAL 101 1HG2 VAL 101 4.647 -11.651 2.736 808 HG23 VAL 101 2HG2 VAL 101 5.909 -11.665 3.972 809 H TYR 102 H TYR 102 3.054 -16.587 3.688 810 HA TYR 102 HA TYR 102 1.099 -15.587 5.649 811 HD1 TYR 102 HD1 TYR 102 -1.726 -16.574 4.967 812 HD2 TYR 102 HD2 TYR 102 1.223 -17.496 2.018 813 HE1 TYR 102 HE1 TYR 102 -3.256 -15.857 3.205 814 HE2 TYR 102 HE2 TYR 102 -0.321 -16.774 0.250 815 HH TYR 102 HH TYR 102 -2.769 -16.514 -0.064 816 HB2 TYR 102 1HB TYR 102 1.448 -18.330 4.351 817 HB3 TYR 102 2HB TYR 102 0.220 -17.949 5.552 818 H ASP 103 H ASP 103 1.144 -16.262 7.789 819 HA ASP 103 HA ASP 103 1.993 -16.832 9.804 820 HB2 ASP 103 1HB ASP 103 1.685 -19.147 8.761 821 HB3 ASP 103 2HB ASP 103 3.385 -19.116 8.318 822 H ASP 104 H ASP 104 3.274 -14.821 8.455 823 HA ASP 104 HA ASP 104 6.126 -15.174 8.191 824 HB2 ASP 104 1HB ASP 104 4.678 -13.706 6.720 825 HB3 ASP 104 2HB ASP 104 4.499 -12.596 8.071 826 H THR 105 H THR 105 4.207 -14.696 10.847 827 HA THR 105 HA THR 105 5.508 -12.924 12.547 828 HB THR 105 HB THR 105 3.346 -13.849 13.122 829 HG1 THR 105 HG1 THR 105 4.680 -13.237 14.875 830 HG21 THR 105 3HG2 THR 105 3.535 -16.113 12.184 831 HG22 THR 105 1HG2 THR 105 3.020 -16.184 13.872 832 HG23 THR 105 2HG2 THR 105 4.690 -16.554 13.443 833 H CYS 106 H CYS 106 7.053 -13.161 14.204 834 HA CYS 106 HA CYS 106 9.135 -15.165 13.889 835 HG CYS 106 HG CYS 106 9.454 -11.208 14.115 836 HB2 CYS 106 1HB CYS 106 8.827 -12.903 15.920 837 HB3 CYS 106 2HB CYS 106 10.247 -13.938 15.784 838 H ASP 107 H ASP 107 7.389 -16.850 14.289 839 HA ASP 107 HA ASP 107 6.941 -17.401 17.168 840 HB2 ASP 107 1HB ASP 107 4.892 -17.168 15.717 841 HB3 ASP 107 2HB ASP 107 5.437 -18.548 14.773 842 H LYS 108 H LYS 108 7.149 -19.609 17.873 843 HA LYS 108 HA LYS 108 8.691 -21.484 16.239 844 HB2 LYS 108 1HB LYS 108 10.439 -21.707 18.057 845 HB3 LYS 108 2HB LYS 108 10.477 -20.170 17.205 846 HG2 LYS 108 1HG LYS 108 9.355 -19.051 19.065 847 HG3 LYS 108 2HG LYS 108 9.181 -20.581 19.922 848 HD2 LYS 108 1HD LYS 108 11.833 -19.250 19.230 849 HD3 LYS 108 2HD LYS 108 11.053 -19.199 20.810 850 HE2 LYS 108 1HE LYS 108 11.236 -21.673 20.958 851 HE3 LYS 108 2HE LYS 108 12.083 -21.696 19.411 852 HZ1 LYS 108 3HZ LYS 108 13.018 -20.327 21.878 853 HZ2 LYS 108 1HZ LYS 108 13.844 -20.370 20.398 854 HZ3 LYS 108 2HZ LYS 108 13.606 -21.793 21.280 855 H LYS 109 H LYS 109 6.037 -21.136 17.966 856 HA LYS 109 HA LYS 109 6.117 -23.305 19.848 857 HB2 LYS 109 1HB LYS 109 3.800 -21.789 18.591 858 HB3 LYS 109 2HB LYS 109 3.571 -23.046 19.794 859 HG2 LYS 109 1HG LYS 109 5.344 -20.709 20.462 860 HG3 LYS 109 2HG LYS 109 3.603 -20.475 20.454 861 HD2 LYS 109 1HD LYS 109 4.250 -20.919 22.723 862 HD3 LYS 109 2HD LYS 109 3.400 -22.342 22.141 863 HE2 LYS 109 1HE LYS 109 6.414 -22.303 22.030 864 HE3 LYS 109 2HE LYS 109 5.623 -22.565 23.580 865 HZ1 LYS 109 3HZ LYS 109 5.136 -24.215 21.161 866 HZ2 LYS 109 1HZ LYS 109 4.540 -24.497 22.714 867 HZ3 LYS 109 2HZ LYS 109 6.197 -24.632 22.407 868 H ASN 110 H ASN 110 7.026 -24.998 18.595 869 HA ASN 110 HA ASN 110 5.091 -26.539 16.984 870 HB2 ASN 110 1HB ASN 110 7.981 -25.959 16.148 871 HB3 ASN 110 2HB ASN 110 6.964 -27.178 15.392 872 HD21 ASN 110 2HD2 ASN 110 7.522 -23.757 15.786 873 HD22 ASN 110 1HD2 ASN 110 6.503 -23.242 14.486 Start of MODEL 16 1 HA MET 1 HA MET 1 -6.061 16.124 -6.266 2 H1 MET 1 1H MET 1 -7.825 16.720 -7.814 3 H2 MET 1 2H MET 1 -7.870 15.122 -8.382 4 H3 MET 1 3H MET 1 -6.476 16.058 -8.592 5 HB2 MET 1 1HB MET 1 -8.653 15.995 -5.842 6 HB3 MET 1 2HB MET 1 -8.433 14.254 -5.876 7 HG2 MET 1 1HG MET 1 -6.886 14.416 -3.962 8 HG3 MET 1 2HG MET 1 -7.080 16.163 -3.953 9 HE1 MET 1 3HE MET 1 -9.369 17.395 -3.293 10 HE2 MET 1 1HE MET 1 -10.850 16.537 -2.862 11 HE3 MET 1 2HE MET 1 -10.245 16.473 -4.517 12 H LEU 2 H LEU 2 -6.439 13.237 -5.160 13 HA LEU 2 HA LEU 2 -4.294 12.048 -6.723 14 HG LEU 2 HG LEU 2 -6.156 9.830 -4.294 15 HB2 LEU 2 1HB LEU 2 -3.848 10.640 -4.900 16 HB3 LEU 2 2HB LEU 2 -4.235 12.196 -4.196 17 HD11 LEU 2 1HD1 LEU 2 -5.672 9.554 -1.900 18 HD12 LEU 2 2HD1 LEU 2 -4.441 10.817 -2.000 19 HD13 LEU 2 3HD1 LEU 2 -4.236 9.307 -2.892 20 HD21 LEU 2 3HD2 LEU 2 -7.347 11.975 -4.151 21 HD22 LEU 2 1HD2 LEU 2 -6.375 12.435 -2.751 22 HD23 LEU 2 2HD2 LEU 2 -7.488 11.071 -2.646 23 H GLU 3 H GLU 3 -7.490 11.964 -7.240 24 HA GLU 3 HA GLU 3 -8.234 9.262 -7.116 25 HB2 GLU 3 1HB GLU 3 -10.167 9.782 -8.470 26 HB3 GLU 3 2HB GLU 3 -9.894 11.096 -7.342 27 HG2 GLU 3 1HG GLU 3 -9.101 11.158 -10.269 28 HG3 GLU 3 2HG GLU 3 -10.611 11.801 -9.637 29 H ASP 4 H ASP 4 -6.503 11.015 -9.639 30 HA ASP 4 HA ASP 4 -6.554 9.026 -11.682 31 HB2 ASP 4 1HB ASP 4 -4.587 11.278 -11.113 32 HB3 ASP 4 2HB ASP 4 -4.453 10.232 -12.523 33 H TYR 5 H TYR 5 -4.627 9.373 -8.798 34 HA TYR 5 HA TYR 5 -2.541 7.488 -9.537 35 HD1 TYR 5 HD1 TYR 5 -3.431 11.020 -8.316 36 HD2 TYR 5 HD2 TYR 5 0.231 8.816 -8.164 37 HE1 TYR 5 HE1 TYR 5 -2.215 12.973 -9.170 38 HE2 TYR 5 HE2 TYR 5 1.440 10.779 -9.013 39 HH TYR 5 HH TYR 5 0.945 12.832 -10.331 40 HB2 TYR 5 1HB TYR 5 -3.152 8.878 -6.889 41 HB3 TYR 5 2HB TYR 5 -1.738 7.865 -7.183 42 H ALA 6 H ALA 6 -5.682 7.023 -8.723 43 HA ALA 6 HA ALA 6 -5.585 4.773 -6.967 44 HB1 ALA 6 3HB ALA 6 -7.704 5.560 -9.010 45 HB2 ALA 6 1HB ALA 6 -7.659 6.048 -7.315 46 HB3 ALA 6 2HB ALA 6 -7.902 4.352 -7.732 47 H ILE 7 H ILE 7 -4.817 2.816 -7.437 48 HA ILE 7 HA ILE 7 -4.886 1.803 -10.224 49 HB ILE 7 HB ILE 7 -2.900 0.965 -8.054 50 HG12 ILE 7 1HG1 ILE 7 -2.528 2.874 -10.419 51 HG13 ILE 7 2HG1 ILE 7 -2.386 3.275 -8.717 52 HG21 ILE 7 1HG2 ILE 7 -2.970 0.285 -11.029 53 HG22 ILE 7 2HG2 ILE 7 -3.380 -0.815 -9.713 54 HG23 ILE 7 3HG2 ILE 7 -1.727 -0.227 -9.882 55 HD11 ILE 7 3HD1 ILE 7 -0.508 1.562 -10.339 56 HD12 ILE 7 1HD1 ILE 7 -0.373 1.824 -8.598 57 HD13 ILE 7 2HD1 ILE 7 -0.217 3.182 -9.709 58 H SER 8 H SER 8 -6.072 0.008 -10.518 59 HA SER 8 HA SER 8 -7.411 -1.300 -8.264 60 HG SER 8 HG SER 8 -8.357 0.358 -10.513 61 HB2 SER 8 1HB SER 8 -7.714 -1.728 -11.271 62 HB3 SER 8 2HB SER 8 -8.759 -2.406 -10.021 63 H LEU 9 H LEU 9 -7.343 -3.590 -7.974 64 HA LEU 9 HA LEU 9 -4.826 -4.843 -8.118 65 HG LEU 9 HG LEU 9 -6.383 -7.890 -8.216 66 HB2 LEU 9 1HB LEU 9 -6.384 -5.449 -6.399 67 HB3 LEU 9 2HB LEU 9 -7.625 -5.871 -7.566 68 HD11 LEU 9 1HD1 LEU 9 -4.301 -7.048 -6.179 69 HD12 LEU 9 2HD1 LEU 9 -4.081 -7.172 -7.925 70 HD13 LEU 9 3HD1 LEU 9 -4.371 -8.625 -6.972 71 HD21 LEU 9 3HD2 LEU 9 -6.662 -9.165 -6.140 72 HD22 LEU 9 1HD2 LEU 9 -7.995 -8.037 -6.370 73 HD23 LEU 9 2HD2 LEU 9 -6.718 -7.666 -5.208 74 H GLU 10 H GLU 10 -7.519 -4.856 -10.337 75 HA GLU 10 HA GLU 10 -6.784 -7.128 -11.912 76 HB2 GLU 10 1HB GLU 10 -8.551 -6.383 -13.425 77 HB3 GLU 10 2HB GLU 10 -9.095 -6.268 -11.757 78 HG2 GLU 10 1HG GLU 10 -8.685 -3.832 -11.784 79 HG3 GLU 10 2HG GLU 10 -8.143 -3.935 -13.457 80 H GLU 11 H GLU 11 -5.520 -3.940 -11.792 81 HA GLU 11 HA GLU 11 -4.263 -4.190 -14.474 82 HB2 GLU 11 1HB GLU 11 -4.422 -1.742 -14.726 83 HB3 GLU 11 2HB GLU 11 -6.021 -2.442 -14.500 84 HG2 GLU 11 1HG GLU 11 -6.023 -1.743 -12.149 85 HG3 GLU 11 2HG GLU 11 -4.405 -1.080 -12.319 86 H VAL 12 H VAL 12 -3.471 -4.551 -11.372 87 HA VAL 12 HA VAL 12 -1.316 -2.585 -11.146 88 HB VAL 12 HB VAL 12 -2.820 -3.165 -9.192 89 HG11 VAL 12 1HG1 VAL 12 -2.922 -5.607 -9.444 90 HG12 VAL 12 2HG1 VAL 12 -2.365 -5.150 -7.836 91 HG13 VAL 12 3HG1 VAL 12 -1.208 -5.736 -9.036 92 HG21 VAL 12 3HG2 VAL 12 0.171 -3.481 -8.741 93 HG22 VAL 12 1HG2 VAL 12 -1.019 -3.088 -7.495 94 HG23 VAL 12 2HG2 VAL 12 -0.732 -1.963 -8.822 95 H ASN 13 H ASN 13 0.860 -3.033 -10.977 96 HA ASN 13 HA ASN 13 1.804 -5.848 -11.106 97 HB2 ASN 13 1HB ASN 13 3.224 -3.389 -12.253 98 HB3 ASN 13 2HB ASN 13 3.838 -5.038 -12.283 99 HD21 ASN 13 2HD2 ASN 13 1.553 -2.794 -13.686 100 HD22 ASN 13 1HD2 ASN 13 1.153 -3.764 -15.061 101 H PHE 14 H PHE 14 1.900 -5.998 -8.811 102 HA PHE 14 HA PHE 14 2.879 -4.027 -7.040 103 HD1 PHE 14 HD1 PHE 14 1.544 -3.939 -5.004 104 HD2 PHE 14 HD2 PHE 14 0.531 -7.743 -6.647 105 HE1 PHE 14 HE1 PHE 14 -0.786 -3.641 -4.279 106 HE2 PHE 14 HE2 PHE 14 -1.799 -7.436 -5.921 107 HZ PHE 14 HZ PHE 14 -2.457 -5.383 -4.737 108 HB2 PHE 14 1HB PHE 14 2.775 -7.056 -6.712 109 HB3 PHE 14 2HB PHE 14 3.276 -5.976 -5.418 110 H ASN 15 H ASN 15 4.535 -6.564 -8.792 111 HA ASN 15 HA ASN 15 7.116 -6.367 -7.670 112 HB2 ASN 15 1HB ASN 15 7.847 -7.536 -9.786 113 HB3 ASN 15 2HB ASN 15 6.501 -8.313 -8.965 114 HD21 ASN 15 2HD2 ASN 15 7.481 -6.558 -11.807 115 HD22 ASN 15 1HD2 ASN 15 6.035 -6.831 -12.712 116 H ASP 16 H ASP 16 5.473 -4.209 -9.820 117 HA ASP 16 HA ASP 16 7.861 -3.061 -11.025 118 HB2 ASP 16 1HB ASP 16 5.589 -3.278 -12.210 119 HB3 ASP 16 2HB ASP 16 5.009 -1.985 -11.177 120 H PHE 17 H PHE 17 5.819 -2.431 -8.238 121 HA PHE 17 HA PHE 17 7.076 0.250 -7.858 122 HD1 PHE 17 HD2 PHE 17 5.258 1.351 -9.570 123 HD2 PHE 17 HD1 PHE 17 2.627 -1.287 -7.499 124 HE1 PHE 17 HE2 PHE 17 3.761 1.314 -11.515 125 HE2 PHE 17 HE1 PHE 17 1.131 -1.320 -9.455 126 HZ PHE 17 HZ PHE 17 1.706 -0.027 -11.466 127 HB2 PHE 17 1HB PHE 17 4.532 -0.488 -6.385 128 HB3 PHE 17 2HB PHE 17 5.114 1.086 -6.873 129 H ILE 18 H ILE 18 7.786 0.773 -5.706 130 HA ILE 18 HA ILE 18 8.299 -1.403 -3.857 131 HB ILE 18 HB ILE 18 8.673 1.611 -3.447 132 HG12 ILE 18 1HG1 ILE 18 10.726 -0.542 -4.185 133 HG13 ILE 18 2HG1 ILE 18 10.136 0.720 -5.261 134 HG21 ILE 18 1HG2 ILE 18 8.432 0.424 -1.297 135 HG22 ILE 18 2HG2 ILE 18 10.090 0.981 -1.507 136 HG23 ILE 18 3HG2 ILE 18 9.695 -0.718 -1.764 137 HD11 ILE 18 3HD1 ILE 18 11.172 2.414 -3.802 138 HD12 ILE 18 1HD1 ILE 18 12.337 1.254 -4.446 139 HD13 ILE 18 2HD1 ILE 18 11.796 1.117 -2.775 140 H VAL 19 H VAL 19 6.583 -2.230 -2.857 141 HA VAL 19 HA VAL 19 4.114 -0.689 -2.638 142 HB VAL 19 HB VAL 19 4.598 -3.630 -1.915 143 HG11 VAL 19 1HG1 VAL 19 2.488 -2.730 -1.026 144 HG12 VAL 19 2HG1 VAL 19 2.182 -3.918 -2.295 145 HG13 VAL 19 3HG1 VAL 19 2.018 -2.192 -2.641 146 HG21 VAL 19 3HG2 VAL 19 5.270 -3.265 -4.249 147 HG22 VAL 19 1HG2 VAL 19 3.719 -2.496 -4.598 148 HG23 VAL 19 2HG2 VAL 19 3.783 -4.209 -4.172 149 H VAL 20 H VAL 20 2.962 -0.508 -0.661 150 HA VAL 20 HA VAL 20 4.409 -0.886 1.883 151 HB VAL 20 HB VAL 20 2.859 1.607 0.997 152 HG11 VAL 20 1HG1 VAL 20 2.197 1.100 3.305 153 HG12 VAL 20 2HG1 VAL 20 3.218 2.536 3.270 154 HG13 VAL 20 3HG1 VAL 20 3.888 0.990 3.797 155 HG21 VAL 20 3HG2 VAL 20 5.736 1.313 1.951 156 HG22 VAL 20 1HG2 VAL 20 4.947 2.823 1.481 157 HG23 VAL 20 2HG2 VAL 20 5.220 1.562 0.282 158 H ASP 21 H ASP 21 3.177 -2.030 3.294 159 HA ASP 21 HA ASP 21 0.318 -2.402 2.771 160 HB2 ASP 21 1HB ASP 21 2.037 -4.274 3.539 161 HB3 ASP 21 2HB ASP 21 1.781 -3.620 5.154 162 H VAL 22 H VAL 22 -0.876 -0.715 3.463 163 HA VAL 22 HA VAL 22 -0.120 0.812 5.861 164 HB VAL 22 HB VAL 22 -2.106 2.327 5.130 165 HG11 VAL 22 1HG1 VAL 22 -0.718 3.505 3.447 166 HG12 VAL 22 2HG1 VAL 22 0.309 2.078 3.288 167 HG13 VAL 22 3HG1 VAL 22 0.257 2.957 4.814 168 HG21 VAL 22 3HG2 VAL 22 -3.179 0.665 3.614 169 HG22 VAL 22 1HG2 VAL 22 -1.791 0.770 2.529 170 HG23 VAL 22 2HG2 VAL 22 -2.818 2.184 2.787 171 H ARG 23 H ARG 23 -0.580 -0.846 7.378 172 HA ARG 23 HA ARG 23 -3.352 -0.800 8.306 173 HE ARG 23 HE ARG 23 -2.319 -4.890 5.880 174 HB2 ARG 23 1HB ARG 23 -2.007 -3.422 7.562 175 HB3 ARG 23 2HB ARG 23 -3.370 -3.340 8.665 176 HG2 ARG 23 1HG ARG 23 -4.751 -2.356 6.821 177 HG3 ARG 23 2HG ARG 23 -3.374 -2.554 5.728 178 HD2 ARG 23 1HD ARG 23 -4.795 -4.812 7.204 179 HD3 ARG 23 2HD ARG 23 -5.040 -4.374 5.518 180 HH11 ARG 23 1HH1 ARG 23 -5.291 -6.769 6.054 181 HH12 ARG 23 2HH1 ARG 23 -4.535 -8.217 5.494 182 HH21 ARG 23 1HH2 ARG 23 -1.351 -6.771 5.160 183 HH22 ARG 23 2HH2 ARG 23 -2.285 -8.230 4.993 184 H GLU 24 H GLU 24 -0.764 -3.159 9.298 185 HA GLU 24 HA GLU 24 -0.070 -1.835 11.740 186 HB2 GLU 24 1HB GLU 24 -2.685 -2.714 11.854 187 HB3 GLU 24 2HB GLU 24 -1.887 -4.151 12.448 188 HG2 GLU 24 1HG GLU 24 -1.617 -1.381 13.665 189 HG3 GLU 24 2HG GLU 24 -2.721 -2.622 14.240 190 H LEU 25 H LEU 25 1.322 -3.205 13.142 191 HA LEU 25 HA LEU 25 2.978 -5.056 11.861 192 HG LEU 25 HG LEU 25 3.600 -6.807 14.596 193 HB2 LEU 25 1HB LEU 25 3.730 -3.860 13.835 194 HB3 LEU 25 2HB LEU 25 2.478 -4.594 14.821 195 HD11 LEU 25 1HD1 LEU 25 5.842 -7.030 13.656 196 HD12 LEU 25 2HD1 LEU 25 5.813 -5.344 13.130 197 HD13 LEU 25 3HD1 LEU 25 4.697 -6.513 12.419 198 HD21 LEU 25 3HD2 LEU 25 5.524 -6.347 16.053 199 HD22 LEU 25 1HD2 LEU 25 4.116 -5.405 16.540 200 HD23 LEU 25 2HD2 LEU 25 5.432 -4.631 15.653 201 H ASP 26 H ASP 26 0.009 -5.581 13.657 202 HA ASP 26 HA ASP 26 0.187 -8.310 14.249 203 HB2 ASP 26 1HB ASP 26 -1.497 -6.804 15.211 204 HB3 ASP 26 2HB ASP 26 -2.259 -6.621 13.641 205 H GLU 27 H GLU 27 -1.171 -6.713 11.319 206 HA GLU 27 HA GLU 27 -1.815 -9.187 10.023 207 HB2 GLU 27 1HB GLU 27 -2.189 -7.810 7.964 208 HB3 GLU 27 2HB GLU 27 -3.112 -7.308 9.366 209 HG2 GLU 27 1HG GLU 27 -2.460 -5.311 8.413 210 HG3 GLU 27 2HG GLU 27 -1.322 -5.532 9.730 211 H TYR 28 H TYR 28 0.945 -6.975 9.900 212 HA TYR 28 HA TYR 28 2.415 -8.011 7.793 213 HD1 TYR 28 HD2 TYR 28 4.612 -6.269 7.019 214 HD2 TYR 28 HD1 TYR 28 5.520 -7.967 10.833 215 HE1 TYR 28 HE2 TYR 28 6.965 -6.488 6.368 216 HE2 TYR 28 HE1 TYR 28 7.864 -8.183 10.184 217 HH TYR 28 HH TYR 28 9.201 -8.337 8.098 218 HB2 TYR 28 1HB TYR 28 3.063 -5.997 9.015 219 HB3 TYR 28 2HB TYR 28 3.371 -6.926 10.473 220 H GLU 29 H GLU 29 1.985 -9.288 11.006 221 HA GLU 29 HA GLU 29 3.929 -11.393 10.845 222 HB2 GLU 29 1HB GLU 29 1.620 -10.941 12.777 223 HB3 GLU 29 2HB GLU 29 2.902 -12.121 13.004 224 HG2 GLU 29 1HG GLU 29 3.331 -9.124 12.870 225 HG3 GLU 29 2HG GLU 29 3.162 -10.043 14.361 226 H GLU 30 H GLU 30 0.323 -11.298 10.616 227 HA GLU 30 HA GLU 30 0.167 -14.182 10.287 228 HB2 GLU 30 1HB GLU 30 -2.300 -13.829 10.071 229 HB3 GLU 30 2HB GLU 30 -1.608 -13.152 11.539 230 HG2 GLU 30 1HG GLU 30 -1.751 -10.920 10.677 231 HG3 GLU 30 2HG GLU 30 -2.189 -11.497 9.076 232 H LEU 31 H LEU 31 -0.436 -11.407 8.074 233 HA LEU 31 HA LEU 31 0.468 -12.865 5.803 234 HG LEU 31 HG LEU 31 -3.832 -12.715 5.315 235 HB2 LEU 31 1HB LEU 31 -1.452 -13.122 4.475 236 HB3 LEU 31 2HB LEU 31 -1.879 -13.751 6.045 237 HD11 LEU 31 1HD1 LEU 31 -3.424 -11.964 7.581 238 HD12 LEU 31 2HD1 LEU 31 -4.333 -10.765 6.663 239 HD13 LEU 31 3HD1 LEU 31 -2.613 -10.514 6.973 240 HD21 LEU 31 3HD2 LEU 31 -3.082 -11.596 3.339 241 HD22 LEU 31 1HD2 LEU 31 -2.318 -10.320 4.291 242 HD23 LEU 31 2HD2 LEU 31 -4.075 -10.498 4.290 243 H HIS 32 H HIS 32 1.143 -11.591 4.170 244 HA HIS 32 HA HIS 32 0.051 -9.099 3.422 245 HD1 HIS 32 HD1 HIS 32 3.343 -10.464 5.774 246 HD2 HIS 32 HD2 HIS 32 4.138 -6.843 3.920 247 HE1 HIS 32 HE1 HIS 32 5.837 -10.293 5.607 248 HE2 HIS 32 HE2 HIS 32 6.286 -8.022 4.675 249 HB2 HIS 32 1HB HIS 32 1.546 -7.449 4.242 250 HB3 HIS 32 2HB HIS 32 1.290 -8.474 5.649 251 H LEU 33 H LEU 33 1.579 -7.949 1.784 252 HA LEU 33 HA LEU 33 2.536 -9.891 -0.112 253 HG LEU 33 HG LEU 33 0.355 -8.060 -0.630 254 HB2 LEU 33 1HB LEU 33 2.513 -6.867 -0.061 255 HB3 LEU 33 2HB LEU 33 3.277 -7.737 -1.379 256 HD11 LEU 33 1HD1 LEU 33 -0.127 -6.641 -2.605 257 HD12 LEU 33 2HD1 LEU 33 1.599 -6.319 -2.782 258 HD13 LEU 33 3HD1 LEU 33 0.736 -5.762 -1.347 259 HD21 LEU 33 3HD2 LEU 33 1.879 -8.944 -3.111 260 HD22 LEU 33 1HD2 LEU 33 0.141 -9.121 -2.848 261 HD23 LEU 33 2HD2 LEU 33 1.278 -10.002 -1.833 262 HA PRO 34 HA PRO 34 6.875 -10.057 1.068 263 HB2 PRO 34 1HB PRO 34 8.020 -10.713 -1.378 264 HB3 PRO 34 2HB PRO 34 7.174 -11.870 -0.346 265 HG2 PRO 34 1HG PRO 34 6.171 -10.405 -2.769 266 HG3 PRO 34 2HG PRO 34 5.893 -12.095 -2.284 267 HD2 PRO 34 1HD PRO 34 4.040 -10.119 -1.916 268 HD3 PRO 34 2HD PRO 34 4.164 -11.511 -0.825 269 H ASN 35 H ASN 35 5.784 -7.996 -1.548 270 HA ASN 35 HA ASN 35 8.225 -6.369 -1.616 271 HB2 ASN 35 1HB ASN 35 5.675 -6.167 -3.286 272 HB3 ASN 35 2HB ASN 35 7.160 -5.259 -3.566 273 HD21 ASN 35 2HD2 ASN 35 5.636 -8.402 -3.772 274 HD22 ASN 35 1HD2 ASN 35 6.825 -9.143 -4.776 275 H ALA 36 H ALA 36 5.745 -6.455 0.475 276 HA ALA 36 HA ALA 36 4.969 -3.617 0.424 277 HB1 ALA 36 3HB ALA 36 3.162 -5.269 0.566 278 HB2 ALA 36 1HB ALA 36 3.198 -4.246 2.003 279 HB3 ALA 36 2HB ALA 36 3.830 -5.895 2.071 280 H THR 37 H THR 37 5.831 -2.198 1.744 281 HA THR 37 HA THR 37 7.602 -2.870 3.951 282 HB THR 37 HB THR 37 6.695 -0.180 2.806 283 HG1 THR 37 HG1 THR 37 7.955 -1.516 1.382 284 HG21 THR 37 3HG2 THR 37 8.986 -0.752 4.732 285 HG22 THR 37 1HG2 THR 37 7.482 0.087 5.138 286 HG23 THR 37 2HG2 THR 37 8.616 0.809 4.002 287 H LEU 38 H LEU 38 6.947 -2.848 6.094 288 HA LEU 38 HA LEU 38 4.198 -2.526 6.785 289 HG LEU 38 HG LEU 38 4.823 -1.773 9.876 290 HB2 LEU 38 1HB LEU 38 5.581 -4.092 8.042 291 HB3 LEU 38 2HB LEU 38 6.661 -2.801 8.541 292 HD11 LEU 38 1HD1 LEU 38 3.185 -4.192 9.064 293 HD12 LEU 38 2HD1 LEU 38 2.884 -2.517 8.599 294 HD13 LEU 38 3HD1 LEU 38 2.728 -3.003 10.283 295 HD21 LEU 38 3HD2 LEU 38 6.368 -3.302 10.995 296 HD22 LEU 38 1HD2 LEU 38 5.346 -4.679 10.573 297 HD23 LEU 38 2HD2 LEU 38 4.752 -3.441 11.682 298 H ILE 39 H ILE 39 3.317 -0.553 6.658 299 HA ILE 39 HA ILE 39 4.220 1.444 8.639 300 HB ILE 39 HB ILE 39 3.268 2.153 5.811 301 HG12 ILE 39 1HG1 ILE 39 5.954 2.733 7.157 302 HG13 ILE 39 2HG1 ILE 39 5.680 1.492 5.944 303 HG21 ILE 39 1HG2 ILE 39 3.522 4.539 6.471 304 HG22 ILE 39 2HG2 ILE 39 3.888 4.046 8.125 305 HG23 ILE 39 3HG2 ILE 39 2.294 3.725 7.440 306 HD11 ILE 39 3HD1 ILE 39 6.751 3.383 4.955 307 HD12 ILE 39 1HD1 ILE 39 5.497 4.470 5.553 308 HD13 ILE 39 2HD1 ILE 39 5.109 3.267 4.320 309 H SER 40 H SER 40 2.547 2.042 9.900 310 HA SER 40 HA SER 40 -0.126 0.996 9.405 311 HG SER 40 HG SER 40 1.115 0.016 11.083 312 HB2 SER 40 1HB SER 40 0.927 2.668 11.725 313 HB3 SER 40 2HB SER 40 -0.642 1.855 11.658 314 H VAL 41 H VAL 41 -1.788 2.157 8.642 315 HA VAL 41 HA VAL 41 -1.584 4.418 7.095 316 HB VAL 41 HB VAL 41 -3.465 2.867 6.940 317 HG11 VAL 41 1HG1 VAL 41 -4.394 3.936 9.631 318 HG12 VAL 41 2HG1 VAL 41 -3.788 2.315 9.289 319 HG13 VAL 41 3HG1 VAL 41 -5.320 2.843 8.598 320 HG21 VAL 41 3HG2 VAL 41 -4.480 5.681 7.545 321 HG22 VAL 41 1HG2 VAL 41 -5.372 4.443 6.659 322 HG23 VAL 41 2HG2 VAL 41 -3.881 5.098 5.996 323 H ASN 42 H ASN 42 -2.180 4.293 10.545 324 HA ASN 42 HA ASN 42 -3.096 6.977 10.917 325 HB2 ASN 42 1HB ASN 42 -2.771 6.425 13.369 326 HB3 ASN 42 2HB ASN 42 -3.815 5.315 12.488 327 HD21 ASN 42 2HD2 ASN 42 -0.637 5.693 13.949 328 HD22 ASN 42 1HD2 ASN 42 -0.254 4.013 14.014 329 H ASP 43 H ASP 43 0.095 5.520 10.812 330 HA ASP 43 HA ASP 43 1.404 7.760 12.161 331 HB2 ASP 43 1HB ASP 43 2.559 5.260 10.846 332 HB3 ASP 43 2HB ASP 43 3.540 6.509 11.605 333 H GLN 44 H GLN 44 0.795 9.455 10.831 334 HA GLN 44 HA GLN 44 1.313 9.713 8.066 335 HB2 GLN 44 1HB GLN 44 0.933 11.748 10.290 336 HB3 GLN 44 2HB GLN 44 1.395 12.282 8.682 337 HG2 GLN 44 1HG GLN 44 -0.960 12.534 8.858 338 HG3 GLN 44 2HG GLN 44 -0.655 11.194 7.767 339 HE21 GLN 44 2HE2 GLN 44 -1.259 9.096 8.407 340 HE22 GLN 44 1HE2 GLN 44 -2.307 8.811 9.746 341 H GLU 45 H GLU 45 3.326 10.404 10.922 342 HA GLU 45 HA GLU 45 5.406 11.719 9.488 343 HB2 GLU 45 1HB GLU 45 6.740 11.387 11.660 344 HB3 GLU 45 2HB GLU 45 5.275 12.348 11.737 345 HG2 GLU 45 1HG GLU 45 5.268 11.032 13.691 346 HG3 GLU 45 2HG GLU 45 4.084 10.300 12.613 347 H LYS 46 H LYS 46 4.907 8.336 10.368 348 HA LYS 46 HA LYS 46 7.485 7.379 9.538 349 HB2 LYS 46 1HB LYS 46 6.096 6.043 11.045 350 HB3 LYS 46 2HB LYS 46 4.811 5.958 9.855 351 HG2 LYS 46 1HG LYS 46 5.894 3.822 9.935 352 HG3 LYS 46 2HG LYS 46 6.296 4.565 8.395 353 HD2 LYS 46 1HD LYS 46 8.245 4.867 10.683 354 HD3 LYS 46 2HD LYS 46 8.135 3.302 9.884 355 HE2 LYS 46 1HE LYS 46 8.675 4.366 7.722 356 HE3 LYS 46 2HE LYS 46 8.780 5.938 8.513 357 HZ1 LYS 46 3HZ LYS 46 10.591 5.003 9.889 358 HZ2 LYS 46 1HZ LYS 46 10.958 5.075 8.240 359 HZ3 LYS 46 2HZ LYS 46 10.545 3.597 8.952 360 H LEU 47 H LEU 47 4.342 7.738 7.978 361 HA LEU 47 HA LEU 47 4.975 6.347 5.578 362 HG LEU 47 HG LEU 47 2.933 7.865 3.657 363 HB2 LEU 47 1HB LEU 47 2.681 6.788 6.493 364 HB3 LEU 47 2HB LEU 47 2.858 8.470 6.046 365 HD11 LEU 47 1HD1 LEU 47 2.493 5.556 2.893 366 HD12 LEU 47 2HD1 LEU 47 2.602 4.978 4.556 367 HD13 LEU 47 3HD1 LEU 47 4.019 5.671 3.764 368 HD21 LEU 47 3HD2 LEU 47 0.587 6.620 5.127 369 HD22 LEU 47 1HD2 LEU 47 0.604 7.110 3.430 370 HD23 LEU 47 2HD2 LEU 47 0.765 8.323 4.693 371 H ALA 48 H ALA 48 4.933 9.744 6.472 372 HA ALA 48 HA ALA 48 5.710 10.876 3.986 373 HB1 ALA 48 3HB ALA 48 5.900 12.011 6.795 374 HB2 ALA 48 1HB ALA 48 4.507 12.140 5.718 375 HB3 ALA 48 2HB ALA 48 6.026 12.937 5.298 376 H ASP 49 H ASP 49 7.483 9.801 6.863 377 HA ASP 49 HA ASP 49 10.111 10.585 6.258 378 HB2 ASP 49 1HB ASP 49 9.587 9.659 8.446 379 HB3 ASP 49 2HB ASP 49 8.994 8.163 7.745 380 H PHE 50 H PHE 50 8.385 7.575 5.490 381 HA PHE 50 HA PHE 50 10.400 6.210 4.122 382 HD1 PHE 50 HD2 PHE 50 10.162 3.513 4.086 383 HD2 PHE 50 HD1 PHE 50 7.113 5.069 1.512 384 HE1 PHE 50 HE2 PHE 50 10.618 1.730 2.453 385 HE2 PHE 50 HE1 PHE 50 7.591 3.286 -0.113 386 HZ PHE 50 HZ PHE 50 9.343 1.624 0.356 387 HB2 PHE 50 1HB PHE 50 8.326 5.111 4.926 388 HB3 PHE 50 2HB PHE 50 7.386 5.990 3.721 389 H LEU 51 H LEU 51 7.931 8.446 2.934 390 HA LEU 51 HA LEU 51 8.546 8.174 0.169 391 HG LEU 51 HG LEU 51 5.925 8.247 1.834 392 HB2 LEU 51 1HB LEU 51 7.142 10.418 1.654 393 HB3 LEU 51 2HB LEU 51 7.179 10.239 -0.097 394 HD11 LEU 51 1HD1 LEU 51 3.767 8.982 0.963 395 HD12 LEU 51 2HD1 LEU 51 4.568 10.206 -0.025 396 HD13 LEU 51 3HD1 LEU 51 4.633 10.311 1.737 397 HD21 LEU 51 3HD2 LEU 51 6.767 7.105 -0.162 398 HD22 LEU 51 1HD2 LEU 51 5.909 8.245 -1.204 399 HD23 LEU 51 2HD2 LEU 51 5.007 7.136 -0.169 400 H SER 52 H SER 52 9.630 10.415 2.691 401 HA SER 52 HA SER 52 11.137 12.148 0.983 402 HG SER 52 HG SER 52 9.232 12.649 3.093 403 HB2 SER 52 1HB SER 52 11.155 11.780 3.996 404 HB3 SER 52 2HB SER 52 12.042 13.051 3.148 405 H GLN 53 H GLN 53 11.821 9.016 2.180 406 HA GLN 53 HA GLN 53 14.616 8.993 2.322 407 HB2 GLN 53 1HB GLN 53 12.804 6.815 1.196 408 HB3 GLN 53 2HB GLN 53 14.484 6.587 1.675 409 HG2 GLN 53 1HG GLN 53 12.213 7.346 3.534 410 HG3 GLN 53 2HG GLN 53 12.873 5.728 3.338 411 HE21 GLN 53 2HE2 GLN 53 12.686 7.476 5.713 412 HE22 GLN 53 1HE2 GLN 53 14.294 7.595 6.324 413 H HIS 54 H HIS 54 12.478 8.911 -0.519 414 HA HIS 54 HA HIS 54 14.529 9.726 -2.372 415 HD1 HIS 54 HD1 HIS 54 16.978 7.047 -3.164 416 HD2 HIS 54 HD2 HIS 54 13.824 8.087 -5.667 417 HE1 HIS 54 HE1 HIS 54 17.944 7.104 -5.477 418 HE2 HIS 54 HE2 HIS 54 16.056 7.854 -6.958 419 HB2 HIS 54 1HB HIS 54 14.822 7.099 -1.954 420 HB3 HIS 54 2HB HIS 54 13.382 6.949 -2.943 421 H LYS 55 H LYS 55 12.480 11.253 -2.126 422 HA LYS 55 HA LYS 55 9.874 10.617 -2.496 423 HB2 LYS 55 1HB LYS 55 11.267 13.148 -3.428 424 HB3 LYS 55 2HB LYS 55 9.515 12.981 -3.421 425 HG2 LYS 55 1HG LYS 55 9.595 12.618 -0.951 426 HG3 LYS 55 2HG LYS 55 11.341 12.877 -0.996 427 HD2 LYS 55 1HD LYS 55 10.138 14.922 -0.294 428 HD3 LYS 55 2HD LYS 55 11.017 15.170 -1.803 429 HE2 LYS 55 1HE LYS 55 8.882 14.830 -3.061 430 HE3 LYS 55 2HE LYS 55 8.032 14.676 -1.522 431 HZ1 LYS 55 3HZ LYS 55 7.862 16.896 -2.484 432 HZ2 LYS 55 1HZ LYS 55 9.542 17.077 -2.404 433 HZ3 LYS 55 2HZ LYS 55 8.636 16.926 -0.982 434 H ASP 56 H ASP 56 12.103 11.239 -5.208 435 HA ASP 56 HA ASP 56 10.064 10.569 -7.194 436 HB2 ASP 56 1HB ASP 56 11.728 12.362 -7.666 437 HB3 ASP 56 2HB ASP 56 13.031 11.185 -7.539 438 H LYS 57 H LYS 57 10.033 8.513 -5.663 439 HA LYS 57 HA LYS 57 11.003 6.406 -7.432 440 HB2 LYS 57 1HB LYS 57 12.181 5.173 -5.914 441 HB3 LYS 57 2HB LYS 57 12.313 6.667 -5.031 442 HG2 LYS 57 1HG LYS 57 10.142 4.633 -4.463 443 HG3 LYS 57 2HG LYS 57 11.729 4.567 -3.716 444 HD2 LYS 57 1HD LYS 57 11.255 6.978 -2.921 445 HD3 LYS 57 2HD LYS 57 9.580 6.649 -3.361 446 HE2 LYS 57 1HE LYS 57 9.737 4.596 -1.836 447 HE3 LYS 57 2HE LYS 57 11.261 5.273 -1.255 448 HZ1 LYS 57 3HZ LYS 57 8.609 6.583 -1.129 449 HZ2 LYS 57 1HZ LYS 57 10.066 7.263 -0.601 450 HZ3 LYS 57 2HZ LYS 57 9.450 5.892 0.168 451 H LYS 58 H LYS 58 9.493 4.731 -7.678 452 HA LYS 58 HA LYS 58 6.798 5.719 -7.374 453 HB2 LYS 58 1HB LYS 58 7.813 4.697 -9.477 454 HB3 LYS 58 2HB LYS 58 7.650 3.122 -8.696 455 HG2 LYS 58 1HG LYS 58 5.326 3.138 -8.827 456 HG3 LYS 58 2HG LYS 58 5.226 4.899 -8.868 457 HD2 LYS 58 1HD LYS 58 4.615 3.858 -11.038 458 HD3 LYS 58 2HD LYS 58 5.994 4.951 -11.165 459 HE2 LYS 58 1HE LYS 58 7.541 3.121 -11.343 460 HE3 LYS 58 2HE LYS 58 6.313 1.943 -10.879 461 HZ1 LYS 58 3HZ LYS 58 5.155 2.401 -12.937 462 HZ2 LYS 58 1HZ LYS 58 6.735 1.888 -13.239 463 HZ3 LYS 58 2HZ LYS 58 6.331 3.524 -13.388 464 H VAL 59 H VAL 59 5.630 5.311 -5.640 465 HA VAL 59 HA VAL 59 6.001 2.818 -4.069 466 HB VAL 59 HB VAL 59 4.952 5.501 -3.029 467 HG11 VAL 59 1HG1 VAL 59 5.845 3.013 -1.517 468 HG12 VAL 59 2HG1 VAL 59 4.184 3.571 -1.717 469 HG13 VAL 59 3HG1 VAL 59 5.327 4.538 -0.787 470 HG21 VAL 59 3HG2 VAL 59 7.148 5.797 -1.941 471 HG22 VAL 59 1HG2 VAL 59 7.292 5.766 -3.697 472 HG23 VAL 59 2HG2 VAL 59 7.758 4.351 -2.753 473 H LEU 60 H LEU 60 4.202 1.643 -3.504 474 HA LEU 60 HA LEU 60 1.527 2.661 -4.327 475 HG LEU 60 HG LEU 60 0.033 0.036 -4.144 476 HB2 LEU 60 1HB LEU 60 2.368 0.918 -5.892 477 HB3 LEU 60 2HB LEU 60 2.558 -0.193 -4.544 478 HD11 LEU 60 1HD1 LEU 60 -1.353 0.804 -6.019 479 HD12 LEU 60 2HD1 LEU 60 0.092 1.308 -6.898 480 HD13 LEU 60 3HD1 LEU 60 -0.351 2.111 -5.390 481 HD21 LEU 60 3HD2 LEU 60 0.919 -1.190 -6.770 482 HD22 LEU 60 1HD2 LEU 60 -0.554 -1.582 -5.880 483 HD23 LEU 60 2HD2 LEU 60 1.020 -1.952 -5.181 484 H LEU 61 H LEU 61 0.630 3.149 -2.387 485 HA LEU 61 HA LEU 61 0.884 1.535 -0.004 486 HG LEU 61 HG LEU 61 1.185 3.769 1.517 487 HB2 LEU 61 1HB LEU 61 -0.845 3.927 -0.754 488 HB3 LEU 61 2HB LEU 61 -1.052 3.094 0.775 489 HD11 LEU 61 1HD1 LEU 61 1.513 5.113 -1.182 490 HD12 LEU 61 2HD1 LEU 61 2.412 3.714 -0.597 491 HD13 LEU 61 3HD1 LEU 61 2.616 5.277 0.189 492 HD21 LEU 61 3HD2 LEU 61 -0.666 5.335 1.914 493 HD22 LEU 61 1HD2 LEU 61 -0.365 6.117 0.361 494 HD23 LEU 61 2HD2 LEU 61 0.837 6.210 1.649 495 H HIS 62 H HIS 62 0.040 -0.541 -0.359 496 HA HIS 62 HA HIS 62 -2.623 -0.833 -1.570 497 HD1 HIS 62 HD1 HIS 62 -2.801 -4.522 0.086 498 HD2 HIS 62 HD2 HIS 62 1.167 -3.350 0.093 499 HE1 HIS 62 HE1 HIS 62 -1.671 -6.003 1.751 500 HE2 HIS 62 HE2 HIS 62 0.664 -5.114 1.886 501 HB2 HIS 62 1HB HIS 62 -2.133 -3.073 -1.960 502 HB3 HIS 62 2HB HIS 62 -0.512 -2.403 -1.989 503 H CYS 63 H CYS 63 -4.415 -1.660 -0.495 504 HA CYS 63 HA CYS 63 -4.242 -1.779 2.478 505 HG CYS 63 HG CYS 63 -6.436 -1.101 4.134 506 HB2 CYS 63 1HB CYS 63 -5.395 0.238 1.842 507 HB3 CYS 63 2HB CYS 63 -6.455 -0.650 0.744 508 H ARG 64 H ARG 64 -5.723 -3.070 3.591 509 HA ARG 64 HA ARG 64 -6.364 -5.637 2.919 510 HE ARG 64 HE ARG 64 -10.363 -5.518 5.610 511 HB2 ARG 64 1HB ARG 64 -6.720 -4.199 5.159 512 HB3 ARG 64 2HB ARG 64 -8.362 -4.072 4.579 513 HG2 ARG 64 1HG ARG 64 -6.928 -6.702 5.091 514 HG3 ARG 64 2HG ARG 64 -7.967 -5.897 6.261 515 HD2 ARG 64 1HD ARG 64 -8.833 -6.965 3.552 516 HD3 ARG 64 2HD ARG 64 -9.131 -7.734 5.110 517 HH11 ARG 64 1HH1 ARG 64 -10.319 -7.018 2.426 518 HH12 ARG 64 2HH1 ARG 64 -11.941 -6.524 2.051 519 HH21 ARG 64 1HH2 ARG 64 -12.472 -4.864 5.084 520 HH22 ARG 64 2HH2 ARG 64 -13.150 -5.302 3.545 521 H ALA 65 H ALA 65 -8.350 -2.736 2.271 522 HA ALA 65 HA ALA 65 -10.001 -4.311 0.367 523 HB1 ALA 65 3HB ALA 65 -11.968 -2.978 1.020 524 HB2 ALA 65 1HB ALA 65 -11.011 -2.129 2.238 525 HB3 ALA 65 2HB ALA 65 -11.318 -3.858 2.403 526 H GLY 66 H GLY 66 -9.103 -0.936 1.332 527 HA2 GLY 66 1HA GLY 66 -7.744 -0.110 -0.852 528 HA3 GLY 66 2HA GLY 66 -9.403 0.049 -1.398 529 H ARG 67 H ARG 67 -10.145 0.771 1.504 530 HA ARG 67 HA ARG 67 -10.083 3.592 1.104 531 HE ARG 67 HE ARG 67 -10.537 6.327 4.507 532 HB2 ARG 67 1HB ARG 67 -12.007 2.644 2.216 533 HB3 ARG 67 2HB ARG 67 -11.006 1.926 3.473 534 HG2 ARG 67 1HG ARG 67 -12.212 3.898 4.320 535 HG3 ARG 67 2HG ARG 67 -10.469 4.143 4.370 536 HD2 ARG 67 1HD ARG 67 -10.940 5.281 1.968 537 HD3 ARG 67 2HD ARG 67 -12.539 5.515 2.684 538 HH11 ARG 67 1HH1 ARG 67 -12.119 7.431 1.573 539 HH12 ARG 67 2HH1 ARG 67 -11.672 9.090 1.822 540 HH21 ARG 67 1HH2 ARG 67 -9.935 8.477 4.794 541 HH22 ARG 67 2HH2 ARG 67 -10.440 9.679 3.649 542 H ARG 68 H ARG 68 -8.264 1.455 3.356 543 HA ARG 68 HA ARG 68 -6.959 3.545 4.792 544 HE ARG 68 HE ARG 68 -9.060 0.583 7.740 545 HB2 ARG 68 1HB ARG 68 -5.932 0.721 4.267 546 HB3 ARG 68 2HB ARG 68 -5.322 1.820 5.498 547 HG2 ARG 68 1HG ARG 68 -8.140 0.695 5.422 548 HG3 ARG 68 2HG ARG 68 -6.821 0.058 6.403 549 HD2 ARG 68 1HD ARG 68 -6.687 2.253 7.577 550 HD3 ARG 68 2HD ARG 68 -8.071 2.815 6.634 551 HH11 ARG 68 1HH1 ARG 68 -7.422 3.322 9.220 552 HH12 ARG 68 2HH1 ARG 68 -8.186 3.087 10.759 553 HH21 ARG 68 1HH2 ARG 68 -10.044 0.297 9.758 554 HH22 ARG 68 2HH2 ARG 68 -9.661 1.365 11.074 555 H ALA 69 H ALA 69 -6.281 1.952 1.765 556 HA ALA 69 HA ALA 69 -3.660 2.869 1.211 557 HB1 ALA 69 3HB ALA 69 -4.202 2.303 -1.133 558 HB2 ALA 69 1HB ALA 69 -5.910 2.174 -0.720 559 HB3 ALA 69 2HB ALA 69 -4.746 1.036 -0.037 560 H LEU 70 H LEU 70 -6.829 4.039 0.173 561 HA LEU 70 HA LEU 70 -6.151 6.380 -1.151 562 HG LEU 70 HG LEU 70 -8.706 8.076 0.085 563 HB2 LEU 70 1HB LEU 70 -8.372 5.379 -1.293 564 HB3 LEU 70 2HB LEU 70 -8.634 5.602 0.427 565 HD11 LEU 70 1HD1 LEU 70 -7.308 8.272 -1.913 566 HD12 LEU 70 2HD1 LEU 70 -8.880 9.026 -2.165 567 HD13 LEU 70 3HD1 LEU 70 -8.541 7.447 -2.876 568 HD21 LEU 70 3HD2 LEU 70 -10.804 6.790 0.112 569 HD22 LEU 70 1HD2 LEU 70 -10.687 6.543 -1.634 570 HD23 LEU 70 2HD2 LEU 70 -10.916 8.166 -0.981 571 H ASP 71 H ASP 71 -7.241 6.018 2.209 572 HA ASP 71 HA ASP 71 -7.316 8.659 3.030 573 HB2 ASP 71 1HB ASP 71 -8.358 6.767 4.251 574 HB3 ASP 71 2HB ASP 71 -6.767 6.161 4.693 575 H ALA 72 H ALA 72 -4.713 6.307 3.529 576 HA ALA 72 HA ALA 72 -2.853 7.922 4.864 577 HB1 ALA 72 3HB ALA 72 -1.241 6.188 4.258 578 HB2 ALA 72 1HB ALA 72 -2.322 5.576 3.009 579 HB3 ALA 72 2HB ALA 72 -2.772 5.452 4.708 580 H ALA 73 H ALA 73 -3.204 7.196 1.398 581 HA ALA 73 HA ALA 73 -1.005 8.748 0.501 582 HB1 ALA 73 3HB ALA 73 -3.421 7.783 -1.062 583 HB2 ALA 73 1HB ALA 73 -1.924 6.881 -0.807 584 HB3 ALA 73 2HB ALA 73 -1.906 8.372 -1.749 585 H LYS 74 H LYS 74 -4.390 9.582 1.179 586 HA LYS 74 HA LYS 74 -4.537 12.020 -0.278 587 HB2 LYS 74 1HB LYS 74 -6.028 11.389 2.309 588 HB3 LYS 74 2HB LYS 74 -6.410 12.687 1.181 589 HG2 LYS 74 1HG LYS 74 -6.712 10.730 -0.549 590 HG3 LYS 74 2HG LYS 74 -6.845 9.724 0.886 591 HD2 LYS 74 1HD LYS 74 -9.076 10.260 0.315 592 HD3 LYS 74 2HD LYS 74 -8.696 11.330 1.665 593 HE2 LYS 74 1HE LYS 74 -8.260 13.173 0.051 594 HE3 LYS 74 2HE LYS 74 -8.670 12.087 -1.286 595 HZ1 LYS 74 3HZ LYS 74 -10.895 11.906 -0.435 596 HZ2 LYS 74 1HZ LYS 74 -10.507 13.540 -0.645 597 HZ3 LYS 74 2HZ LYS 74 -10.522 12.868 0.907 598 H SER 75 H SER 75 -3.803 11.350 3.121 599 HA SER 75 HA SER 75 -3.191 13.870 4.063 600 HG SER 75 HG SER 75 -3.665 10.654 5.345 601 HB2 SER 75 1HB SER 75 -1.729 11.310 4.850 602 HB3 SER 75 2HB SER 75 -1.967 12.753 5.842 603 H MET 76 H MET 76 -1.057 11.568 2.388 604 HA MET 76 HA MET 76 1.340 13.120 2.582 605 HB2 MET 76 1HB MET 76 0.620 10.869 0.668 606 HB3 MET 76 2HB MET 76 2.244 11.509 0.927 607 HG2 MET 76 1HG MET 76 0.529 10.085 2.963 608 HG3 MET 76 2HG MET 76 1.959 9.450 2.154 609 HE1 MET 76 3HE MET 76 0.580 11.672 5.043 610 HE2 MET 76 1HE MET 76 1.961 11.473 6.124 611 HE3 MET 76 2HE MET 76 1.117 10.054 5.508 612 H HIS 77 H HIS 77 -1.089 12.770 -0.006 613 HA HIS 77 HA HIS 77 0.170 14.383 -1.952 614 HD1 HIS 77 HD1 HIS 77 -1.545 13.934 -4.998 615 HD2 HIS 77 HD2 HIS 77 -1.220 10.877 -2.203 616 HE1 HIS 77 HE1 HIS 77 -0.956 11.877 -6.302 617 HE2 HIS 77 HE2 HIS 77 -0.878 10.025 -4.601 618 HB2 HIS 77 1HB HIS 77 -2.635 13.385 -1.562 619 HB3 HIS 77 2HB HIS 77 -2.369 14.647 -2.750 620 H GLU 78 H GLU 78 -1.718 15.214 0.864 621 HA GLU 78 HA GLU 78 -2.116 17.989 0.201 622 HB2 GLU 78 1HB GLU 78 -2.255 16.605 2.912 623 HB3 GLU 78 2HB GLU 78 -2.916 18.193 2.524 624 HG2 GLU 78 1HG GLU 78 -3.806 15.600 1.249 625 HG3 GLU 78 2HG GLU 78 -4.615 16.340 2.609 626 H LEU 79 H LEU 79 0.326 16.108 1.925 627 HA LEU 79 HA LEU 79 1.833 18.345 2.954 628 HG LEU 79 HG LEU 79 0.819 15.516 4.101 629 HB2 LEU 79 1HB LEU 79 2.721 15.461 2.542 630 HB3 LEU 79 2HB LEU 79 3.558 16.664 3.513 631 HD11 LEU 79 1HD1 LEU 79 2.565 13.855 4.480 632 HD12 LEU 79 2HD1 LEU 79 1.875 14.387 6.012 633 HD13 LEU 79 3HD1 LEU 79 3.452 14.992 5.500 634 HD21 LEU 79 3HD2 LEU 79 2.471 17.466 5.738 635 HD22 LEU 79 1HD2 LEU 79 0.975 16.694 6.275 636 HD23 LEU 79 2HD2 LEU 79 0.948 17.815 4.918 637 H GLY 80 H GLY 80 1.618 16.800 -0.110 638 HA2 GLY 80 1HA GLY 80 2.403 18.128 -1.996 639 HA3 GLY 80 2HA GLY 80 3.906 18.404 -1.136 640 H TYR 81 H TYR 81 3.245 15.264 -0.460 641 HA TYR 81 HA TYR 81 5.027 14.189 -2.488 642 HD1 TYR 81 HD1 TYR 81 7.011 13.001 -0.682 643 HD2 TYR 81 HD2 TYR 81 3.440 13.657 1.572 644 HE1 TYR 81 HE1 TYR 81 8.354 13.575 1.297 645 HE2 TYR 81 HE2 TYR 81 4.788 14.236 3.537 646 HH TYR 81 HH TYR 81 6.959 13.940 4.438 647 HB2 TYR 81 1HB TYR 81 3.283 12.602 -0.549 648 HB3 TYR 81 2HB TYR 81 4.723 12.039 -1.391 649 H THR 82 H THR 82 4.283 12.146 -3.736 650 HA THR 82 HA THR 82 1.425 12.066 -4.400 651 HB THR 82 HB THR 82 2.075 11.787 -6.910 652 HG1 THR 82 HG1 THR 82 4.394 13.216 -6.066 653 HG21 THR 82 3HG2 THR 82 2.393 14.565 -5.715 654 HG22 THR 82 1HG2 THR 82 0.856 13.790 -6.112 655 HG23 THR 82 2HG2 THR 82 1.997 14.198 -7.394 656 HA PRO 83 HA PRO 83 3.157 7.720 -4.146 657 HB2 PRO 83 1HB PRO 83 1.811 6.845 -1.954 658 HB3 PRO 83 2HB PRO 83 3.361 7.687 -1.815 659 HG2 PRO 83 1HG PRO 83 0.572 8.779 -1.458 660 HG3 PRO 83 2HG PRO 83 2.014 9.034 -0.451 661 HD2 PRO 83 1HD PRO 83 1.176 10.847 -2.324 662 HD3 PRO 83 2HD PRO 83 2.879 10.651 -1.867 663 H TYR 84 H TYR 84 2.029 6.101 -5.142 664 HA TYR 84 HA TYR 84 -0.744 6.448 -5.942 665 HD1 TYR 84 HD2 TYR 84 3.102 5.511 -6.952 666 HD2 TYR 84 HD1 TYR 84 -0.591 5.858 -9.086 667 HE1 TYR 84 HE2 TYR 84 4.246 6.749 -8.745 668 HE2 TYR 84 HE1 TYR 84 0.562 7.094 -10.872 669 HH TYR 84 HH TYR 84 3.957 7.241 -11.111 670 HB2 TYR 84 1HB TYR 84 1.135 4.072 -6.374 671 HB3 TYR 84 2HB TYR 84 -0.415 4.324 -7.178 672 H TYR 85 H TYR 85 -2.232 4.470 -5.644 673 HA TYR 85 HA TYR 85 -1.827 3.017 -3.148 674 HD1 TYR 85 HD1 TYR 85 -3.095 6.811 -4.144 675 HD2 TYR 85 HD2 TYR 85 -6.136 3.962 -3.197 676 HE1 TYR 85 HE1 TYR 85 -4.760 8.203 -5.274 677 HE2 TYR 85 HE2 TYR 85 -7.802 5.368 -4.331 678 HH TYR 85 HH TYR 85 -6.914 7.997 -6.331 679 HB2 TYR 85 1HB TYR 85 -3.961 3.792 -2.149 680 HB3 TYR 85 2HB TYR 85 -2.790 5.088 -2.308 681 H LEU 86 H LEU 86 -3.029 1.172 -3.000 682 HA LEU 86 HA LEU 86 -4.282 0.267 -5.505 683 HG LEU 86 HG LEU 86 -2.597 -3.084 -5.194 684 HB2 LEU 86 1HB LEU 86 -2.129 -0.814 -4.680 685 HB3 LEU 86 2HB LEU 86 -3.029 -1.448 -3.322 686 HD11 LEU 86 1HD1 LEU 86 -5.542 -2.668 -4.682 687 HD12 LEU 86 2HD1 LEU 86 -4.424 -3.532 -3.628 688 HD13 LEU 86 3HD1 LEU 86 -4.768 -4.155 -5.239 689 HD21 LEU 86 3HD2 LEU 86 -2.834 -1.544 -7.073 690 HD22 LEU 86 1HD2 LEU 86 -4.569 -1.429 -6.764 691 HD23 LEU 86 2HD2 LEU 86 -3.858 -2.965 -7.259 692 H GLU 87 H GLU 87 -6.356 0.277 -5.403 693 HA GLU 87 HA GLU 87 -7.861 -0.411 -2.973 694 HB2 GLU 87 1HB GLU 87 -8.814 0.670 -5.665 695 HB3 GLU 87 2HB GLU 87 -9.824 0.403 -4.244 696 HG2 GLU 87 1HG GLU 87 -8.477 2.099 -3.003 697 HG3 GLU 87 2HG GLU 87 -7.541 2.393 -4.467 698 H GLY 88 H GLY 88 -7.866 -2.519 -2.755 699 HA2 GLY 88 1HA GLY 88 -9.343 -4.329 -4.281 700 HA3 GLY 88 2HA GLY 88 -7.647 -4.518 -4.740 701 H ASN 89 H ASN 89 -9.338 -6.448 -3.282 702 HA ASN 89 HA ASN 89 -8.813 -6.259 -0.478 703 HB2 ASN 89 1HB ASN 89 -10.776 -7.501 -1.395 704 HB3 ASN 89 2HB ASN 89 -9.698 -8.722 -2.027 705 HD21 ASN 89 2HD2 ASN 89 -10.889 -10.223 -0.740 706 HD22 ASN 89 1HD2 ASN 89 -10.586 -10.391 0.948 707 H VAL 90 H VAL 90 -7.197 -7.054 0.719 708 HA VAL 90 HA VAL 90 -4.700 -7.620 -0.378 709 HB VAL 90 HB VAL 90 -4.969 -6.645 1.865 710 HG11 VAL 90 1HG1 VAL 90 -6.888 -7.916 2.676 711 HG12 VAL 90 2HG1 VAL 90 -5.561 -8.010 3.831 712 HG13 VAL 90 3HG1 VAL 90 -5.911 -9.383 2.778 713 HG21 VAL 90 3HG2 VAL 90 -2.793 -7.655 1.375 714 HG22 VAL 90 1HG2 VAL 90 -3.368 -9.234 1.923 715 HG23 VAL 90 2HG2 VAL 90 -3.192 -7.912 3.077 716 H TYR 91 H TYR 91 -7.217 -9.805 0.760 717 HA TYR 91 HA TYR 91 -5.645 -12.215 0.639 718 HD1 TYR 91 HD2 TYR 91 -5.971 -12.809 3.151 719 HD2 TYR 91 HD1 TYR 91 -9.499 -10.538 2.340 720 HE1 TYR 91 HE2 TYR 91 -5.902 -11.876 5.423 721 HE2 TYR 91 HE1 TYR 91 -9.410 -9.598 4.604 722 HH TYR 91 HH TYR 91 -8.456 -10.183 6.809 723 HB2 TYR 91 1HB TYR 91 -8.691 -11.992 0.661 724 HB3 TYR 91 2HB TYR 91 -7.717 -13.370 1.178 725 H ASP 92 H ASP 92 -7.582 -10.377 -1.581 726 HA ASP 92 HA ASP 92 -7.958 -12.450 -3.540 727 HB2 ASP 92 1HB ASP 92 -8.643 -9.526 -3.401 728 HB3 ASP 92 2HB ASP 92 -8.581 -10.269 -4.993 729 H PHE 93 H PHE 93 -5.391 -10.236 -2.864 730 HA PHE 93 HA PHE 93 -4.102 -10.027 -5.343 731 HD1 PHE 93 HD2 PHE 93 -4.850 -8.184 -4.468 732 HD2 PHE 93 HD1 PHE 93 -1.699 -8.431 -1.614 733 HE1 PHE 93 HE2 PHE 93 -5.357 -5.906 -3.726 734 HE2 PHE 93 HE1 PHE 93 -2.212 -6.160 -0.885 735 HZ PHE 93 HZ PHE 93 -4.030 -4.881 -1.922 736 HB2 PHE 93 1HB PHE 93 -2.736 -10.498 -2.654 737 HB3 PHE 93 2HB PHE 93 -1.962 -9.847 -4.099 738 H GLU 94 H GLU 94 -3.946 -12.601 -2.942 739 HA GLU 94 HA GLU 94 -1.918 -14.180 -4.042 740 HB2 GLU 94 1HB GLU 94 -2.990 -14.166 -1.676 741 HB3 GLU 94 2HB GLU 94 -4.211 -15.242 -2.336 742 HG2 GLU 94 1HG GLU 94 -1.236 -15.838 -2.356 743 HG3 GLU 94 2HG GLU 94 -2.317 -16.327 -1.057 744 H LYS 95 H LYS 95 -5.462 -14.464 -4.334 745 HA LYS 95 HA LYS 95 -5.396 -16.696 -6.140 746 HB2 LYS 95 1HB LYS 95 -7.857 -16.276 -6.390 747 HB3 LYS 95 2HB LYS 95 -7.330 -16.457 -4.722 748 HG2 LYS 95 1HG LYS 95 -7.433 -14.070 -4.364 749 HG3 LYS 95 2HG LYS 95 -7.813 -13.782 -6.060 750 HD2 LYS 95 1HD LYS 95 -9.595 -15.350 -4.152 751 HD3 LYS 95 2HD LYS 95 -9.784 -13.629 -4.494 752 HE2 LYS 95 1HE LYS 95 -10.133 -14.174 -6.899 753 HE3 LYS 95 2HE LYS 95 -10.027 -15.892 -6.508 754 HZ1 LYS 95 3HZ LYS 95 -12.313 -15.204 -6.656 755 HZ2 LYS 95 1HZ LYS 95 -12.072 -13.986 -5.507 756 HZ3 LYS 95 2HZ LYS 95 -11.964 -15.607 -5.054 757 H TYR 96 H TYR 96 -5.315 -13.208 -6.603 758 HA TYR 96 HA TYR 96 -5.757 -13.322 -9.471 759 HD1 TYR 96 HD2 TYR 96 -7.624 -12.057 -7.238 760 HD2 TYR 96 HD1 TYR 96 -6.170 -9.663 -10.468 761 HE1 TYR 96 HE2 TYR 96 -9.903 -11.264 -7.680 762 HE2 TYR 96 HE1 TYR 96 -8.457 -8.874 -10.912 763 HH TYR 96 HH TYR 96 -10.795 -9.647 -10.501 764 HB2 TYR 96 1HB TYR 96 -5.038 -11.149 -7.515 765 HB3 TYR 96 2HB TYR 96 -4.606 -10.882 -9.198 766 H GLY 97 H GLY 97 -3.151 -14.143 -7.459 767 HA2 GLY 97 1HA GLY 97 -1.552 -15.603 -8.586 768 HA3 GLY 97 2HA GLY 97 -1.441 -14.433 -9.892 769 H PHE 98 H PHE 98 -1.511 -12.304 -7.683 770 HA PHE 98 HA PHE 98 1.318 -11.928 -7.435 771 HD1 PHE 98 HD2 PHE 98 1.537 -9.303 -8.559 772 HD2 PHE 98 HD1 PHE 98 -2.584 -10.102 -7.735 773 HE1 PHE 98 HE2 PHE 98 0.898 -8.233 -10.679 774 HE2 PHE 98 HE1 PHE 98 -3.211 -9.035 -9.863 775 HZ PHE 98 HZ PHE 98 -1.472 -8.101 -11.336 776 HB2 PHE 98 1HB PHE 98 -0.943 -10.438 -6.016 777 HB3 PHE 98 2HB PHE 98 0.713 -9.873 -6.226 778 H ARG 99 H ARG 99 2.407 -13.326 -6.122 779 HA ARG 99 HA ARG 99 1.175 -14.932 -4.171 780 HE ARG 99 HE ARG 99 7.377 -13.888 -4.428 781 HB2 ARG 99 1HB ARG 99 3.301 -15.882 -3.685 782 HB3 ARG 99 2HB ARG 99 3.297 -15.532 -5.408 783 HG2 ARG 99 1HG ARG 99 4.862 -13.790 -5.197 784 HG3 ARG 99 2HG ARG 99 4.523 -13.545 -3.485 785 HD2 ARG 99 1HD ARG 99 5.564 -15.746 -2.989 786 HD3 ARG 99 2HD ARG 99 5.963 -15.920 -4.696 787 HH11 ARG 99 1HH1 ARG 99 6.577 -15.719 -1.526 788 HH12 ARG 99 2HH1 ARG 99 8.045 -15.285 -0.706 789 HH21 ARG 99 1HH2 ARG 99 9.265 -13.294 -3.320 790 HH22 ARG 99 2HH2 ARG 99 9.556 -13.897 -1.716 791 H MET 100 H MET 100 1.748 -15.125 -1.900 792 HA MET 100 HA MET 100 2.201 -12.567 -0.527 793 HB2 MET 100 1HB MET 100 -0.293 -14.287 -0.148 794 HB3 MET 100 2HB MET 100 0.145 -12.905 0.848 795 HG2 MET 100 1HG MET 100 -0.033 -11.448 -1.170 796 HG3 MET 100 2HG MET 100 -0.582 -12.849 -2.088 797 HE1 MET 100 3HE MET 100 -2.867 -11.062 1.469 798 HE2 MET 100 1HE MET 100 -1.292 -10.495 0.916 799 HE3 MET 100 2HE MET 100 -1.446 -12.087 1.668 800 H VAL 101 H VAL 101 2.710 -12.765 1.635 801 HA VAL 101 HA VAL 101 3.981 -15.323 2.365 802 HB VAL 101 HB VAL 101 4.626 -12.470 3.263 803 HG11 VAL 101 1HG1 VAL 101 5.199 -14.109 5.003 804 HG12 VAL 101 2HG1 VAL 101 6.645 -13.400 4.295 805 HG13 VAL 101 3HG1 VAL 101 6.153 -15.037 3.841 806 HG21 VAL 101 3HG2 VAL 101 6.659 -12.673 1.876 807 HG22 VAL 101 1HG2 VAL 101 5.206 -12.856 0.893 808 HG23 VAL 101 2HG2 VAL 101 6.151 -14.277 1.340 809 H TYR 102 H TYR 102 2.477 -16.368 3.496 810 HA TYR 102 HA TYR 102 1.001 -15.159 5.726 811 HD1 TYR 102 HD1 TYR 102 0.628 -17.020 2.208 812 HD2 TYR 102 HD2 TYR 102 -2.098 -16.101 5.367 813 HE1 TYR 102 HE1 TYR 102 -1.013 -16.221 0.562 814 HE2 TYR 102 HE2 TYR 102 -3.733 -15.300 3.720 815 HH TYR 102 HH TYR 102 -3.473 -15.891 0.400 816 HB2 TYR 102 1HB TYR 102 0.924 -17.974 4.533 817 HB3 TYR 102 2HB TYR 102 -0.112 -17.413 5.843 818 H ASP 103 H ASP 103 1.244 -15.949 7.883 819 HA ASP 103 HA ASP 103 2.429 -16.413 9.754 820 HB2 ASP 103 1HB ASP 103 3.396 -18.769 8.069 821 HB3 ASP 103 2HB ASP 103 3.672 -18.619 9.800 822 H ASP 104 H ASP 104 3.506 -14.501 8.046 823 HA ASP 104 HA ASP 104 6.233 -14.662 7.410 824 HB2 ASP 104 1HB ASP 104 4.780 -12.899 6.539 825 HB3 ASP 104 2HB ASP 104 4.535 -12.242 8.151 826 H THR 105 H THR 105 4.603 -13.961 10.373 827 HA THR 105 HA THR 105 6.212 -12.673 12.059 828 HB THR 105 HB THR 105 4.076 -13.431 12.807 829 HG1 THR 105 HG1 THR 105 5.821 -13.294 14.394 830 HG21 THR 105 3HG2 THR 105 5.072 -16.298 12.634 831 HG22 THR 105 1HG2 THR 105 3.854 -15.553 11.594 832 HG23 THR 105 2HG2 THR 105 3.522 -15.796 13.310 833 H CYS 106 H CYS 106 6.575 -16.156 11.348 834 HA CYS 106 HA CYS 106 9.374 -16.262 11.960 835 HG CYS 106 HG CYS 106 7.902 -14.902 14.737 836 HB2 CYS 106 1HB CYS 106 7.417 -17.533 13.926 837 HB3 CYS 106 2HB CYS 106 9.116 -17.975 13.833 838 H ASP 107 H ASP 107 6.418 -18.220 11.936 839 HA ASP 107 HA ASP 107 6.846 -19.796 9.682 840 HB2 ASP 107 1HB ASP 107 8.774 -20.815 10.793 841 HB3 ASP 107 2HB ASP 107 7.854 -21.071 12.272 842 H LYS 108 H LYS 108 5.632 -19.576 12.967 843 HA LYS 108 HA LYS 108 2.927 -20.251 12.164 844 HB2 LYS 108 1HB LYS 108 3.814 -22.511 12.564 845 HB3 LYS 108 2HB LYS 108 4.462 -22.027 14.128 846 HG2 LYS 108 1HG LYS 108 2.172 -21.694 14.990 847 HG3 LYS 108 2HG LYS 108 1.507 -22.126 13.415 848 HD2 LYS 108 1HD LYS 108 3.162 -23.988 15.170 849 HD3 LYS 108 2HD LYS 108 1.399 -23.998 15.082 850 HE2 LYS 108 1HE LYS 108 3.296 -24.579 12.775 851 HE3 LYS 108 2HE LYS 108 2.369 -25.777 13.683 852 HZ1 LYS 108 3HZ LYS 108 1.270 -25.255 11.622 853 HZ2 LYS 108 1HZ LYS 108 1.244 -23.606 11.995 854 HZ3 LYS 108 2HZ LYS 108 0.333 -24.694 12.911 855 H LYS 109 H LYS 109 5.111 -19.932 14.918 856 HA LYS 109 HA LYS 109 5.249 -18.599 16.721 857 HB2 LYS 109 1HB LYS 109 4.344 -16.841 14.933 858 HB3 LYS 109 2HB LYS 109 2.865 -16.928 15.871 859 HG2 LYS 109 1HG LYS 109 4.159 -15.024 16.566 860 HG3 LYS 109 2HG LYS 109 4.134 -16.206 17.882 861 HD2 LYS 109 1HD LYS 109 6.395 -16.880 17.445 862 HD3 LYS 109 2HD LYS 109 6.425 -16.045 15.887 863 HE2 LYS 109 1HE LYS 109 7.703 -14.817 17.569 864 HE3 LYS 109 2HE LYS 109 6.307 -13.889 17.027 865 HZ1 LYS 109 3HZ LYS 109 6.589 -13.758 19.424 866 HZ2 LYS 109 1HZ LYS 109 6.474 -15.440 19.554 867 HZ3 LYS 109 2HZ LYS 109 5.137 -14.538 19.041 868 H ASN 110 H ASN 110 3.764 -17.778 18.667 869 HA ASN 110 HA ASN 110 1.257 -19.189 18.972 870 HB2 ASN 110 1HB ASN 110 1.936 -20.256 21.168 871 HB3 ASN 110 2HB ASN 110 2.690 -20.965 19.749 872 HD21 ASN 110 2HD2 ASN 110 3.231 -19.020 22.602 873 HD22 ASN 110 1HD2 ASN 110 4.950 -19.170 22.614 Start of MODEL 17 1 HA MET 1 HA MET 1 -7.172 14.652 -7.512 2 H1 MET 1 1H MET 1 -4.588 15.969 -8.045 3 H2 MET 1 2H MET 1 -5.315 15.751 -6.537 4 H3 MET 1 3H MET 1 -6.037 16.765 -7.685 5 HB2 MET 1 1HB MET 1 -7.182 15.893 -9.662 6 HB3 MET 1 2HB MET 1 -5.711 15.068 -10.154 7 HG2 MET 1 1HG MET 1 -6.965 12.904 -10.114 8 HG3 MET 1 2HG MET 1 -8.433 13.807 -9.729 9 HE1 MET 1 3HE MET 1 -6.143 14.337 -13.732 10 HE2 MET 1 1HE MET 1 -5.589 13.253 -12.455 11 HE3 MET 1 2HE MET 1 -5.543 15.001 -12.215 12 H LEU 2 H LEU 2 -6.066 13.270 -5.993 13 HA LEU 2 HA LEU 2 -3.963 11.502 -7.012 14 HG LEU 2 HG LEU 2 -5.925 10.000 -4.305 15 HB2 LEU 2 1HB LEU 2 -3.538 10.822 -4.868 16 HB3 LEU 2 2HB LEU 2 -4.130 12.445 -4.577 17 HD11 LEU 2 1HD1 LEU 2 -5.485 10.031 -1.906 18 HD12 LEU 2 2HD1 LEU 2 -4.278 11.302 -2.129 19 HD13 LEU 2 3HD1 LEU 2 -4.014 9.697 -2.822 20 HD21 LEU 2 3HD2 LEU 2 -7.089 12.157 -4.530 21 HD22 LEU 2 1HD2 LEU 2 -6.171 12.801 -3.165 22 HD23 LEU 2 2HD2 LEU 2 -7.305 11.470 -2.921 23 H GLU 3 H GLU 3 -7.375 11.503 -6.824 24 HA GLU 3 HA GLU 3 -7.922 8.740 -6.800 25 HB2 GLU 3 1HB GLU 3 -10.050 9.455 -8.156 26 HB3 GLU 3 2HB GLU 3 -9.876 9.954 -6.486 27 HG2 GLU 3 1HG GLU 3 -8.927 11.830 -8.634 28 HG3 GLU 3 2HG GLU 3 -10.658 11.647 -8.391 29 H ASP 4 H ASP 4 -6.480 10.701 -9.197 30 HA ASP 4 HA ASP 4 -6.682 9.022 -11.481 31 HB2 ASP 4 1HB ASP 4 -5.872 11.381 -11.538 32 HB3 ASP 4 2HB ASP 4 -4.452 10.924 -10.604 33 H TYR 5 H TYR 5 -4.523 9.103 -8.683 34 HA TYR 5 HA TYR 5 -2.700 7.030 -9.533 35 HD1 TYR 5 HD2 TYR 5 -3.044 10.203 -9.204 36 HD2 TYR 5 HD1 TYR 5 0.225 8.396 -7.109 37 HE1 TYR 5 HE2 TYR 5 -1.561 12.003 -9.957 38 HE2 TYR 5 HE1 TYR 5 1.698 10.208 -7.870 39 HH TYR 5 HH TYR 5 1.817 11.851 -9.687 40 HB2 TYR 5 1HB TYR 5 -3.107 8.423 -6.844 41 HB3 TYR 5 2HB TYR 5 -1.836 7.244 -7.151 42 H ALA 6 H ALA 6 -5.852 6.762 -8.629 43 HA ALA 6 HA ALA 6 -5.831 4.602 -6.764 44 HB1 ALA 6 3HB ALA 6 -8.051 5.467 -8.658 45 HB2 ALA 6 1HB ALA 6 -7.791 6.082 -7.025 46 HB3 ALA 6 2HB ALA 6 -8.231 4.392 -7.267 47 H ILE 7 H ILE 7 -4.427 3.021 -7.572 48 HA ILE 7 HA ILE 7 -4.914 1.767 -10.163 49 HB ILE 7 HB ILE 7 -2.924 0.971 -7.983 50 HG12 ILE 7 1HG1 ILE 7 -2.597 2.797 -10.423 51 HG13 ILE 7 2HG1 ILE 7 -2.406 3.243 -8.737 52 HG21 ILE 7 1HG2 ILE 7 -3.047 0.156 -10.923 53 HG22 ILE 7 2HG2 ILE 7 -3.425 -0.880 -9.547 54 HG23 ILE 7 3HG2 ILE 7 -1.778 -0.299 -9.779 55 HD11 ILE 7 3HD1 ILE 7 -0.268 3.097 -9.821 56 HD12 ILE 7 1HD1 ILE 7 -0.589 1.439 -10.324 57 HD13 ILE 7 2HD1 ILE 7 -0.401 1.822 -8.613 58 H SER 8 H SER 8 -6.203 0.043 -10.453 59 HA SER 8 HA SER 8 -7.584 -1.203 -8.201 60 HG SER 8 HG SER 8 -8.609 0.411 -9.696 61 HB2 SER 8 1HB SER 8 -7.881 -1.569 -11.214 62 HB3 SER 8 2HB SER 8 -8.930 -2.298 -9.997 63 H LEU 9 H LEU 9 -7.723 -3.524 -7.957 64 HA LEU 9 HA LEU 9 -5.157 -4.742 -7.874 65 HG LEU 9 HG LEU 9 -6.443 -7.807 -7.468 66 HB2 LEU 9 1HB LEU 9 -6.859 -5.095 -6.152 67 HB3 LEU 9 2HB LEU 9 -7.920 -5.877 -7.312 68 HD11 LEU 9 1HD1 LEU 9 -4.529 -6.311 -5.655 69 HD12 LEU 9 2HD1 LEU 9 -4.265 -6.743 -7.346 70 HD13 LEU 9 3HD1 LEU 9 -4.374 -8.006 -6.125 71 HD21 LEU 9 3HD2 LEU 9 -6.876 -7.032 -4.563 72 HD22 LEU 9 1HD2 LEU 9 -6.562 -8.665 -5.158 73 HD23 LEU 9 2HD2 LEU 9 -8.044 -7.833 -5.617 74 H GLU 10 H GLU 10 -7.742 -4.923 -10.189 75 HA GLU 10 HA GLU 10 -6.939 -7.322 -11.532 76 HB2 GLU 10 1HB GLU 10 -8.476 -6.572 -13.333 77 HB3 GLU 10 2HB GLU 10 -9.222 -6.505 -11.740 78 HG2 GLU 10 1HG GLU 10 -8.748 -4.036 -11.676 79 HG3 GLU 10 2HG GLU 10 -8.153 -4.145 -13.332 80 H GLU 11 H GLU 11 -5.947 -3.957 -11.805 81 HA GLU 11 HA GLU 11 -4.512 -4.450 -14.351 82 HB2 GLU 11 1HB GLU 11 -4.471 -1.999 -14.610 83 HB3 GLU 11 2HB GLU 11 -6.119 -2.579 -14.380 84 HG2 GLU 11 1HG GLU 11 -6.113 -1.845 -12.063 85 HG3 GLU 11 2HG GLU 11 -4.422 -1.373 -12.168 86 H VAL 12 H VAL 12 -3.876 -4.345 -11.047 87 HA VAL 12 HA VAL 12 -1.617 -2.611 -10.944 88 HB VAL 12 HB VAL 12 -3.080 -3.188 -8.980 89 HG11 VAL 12 1HG1 VAL 12 -2.649 -5.215 -7.659 90 HG12 VAL 12 2HG1 VAL 12 -1.540 -5.807 -8.899 91 HG13 VAL 12 3HG1 VAL 12 -3.255 -5.617 -9.266 92 HG21 VAL 12 3HG2 VAL 12 -0.096 -3.586 -8.561 93 HG22 VAL 12 1HG2 VAL 12 -1.263 -3.178 -7.297 94 HG23 VAL 12 2HG2 VAL 12 -0.960 -2.045 -8.615 95 H ASN 13 H ASN 13 0.571 -3.054 -10.809 96 HA ASN 13 HA ASN 13 1.529 -5.845 -11.096 97 HB2 ASN 13 1HB ASN 13 2.785 -3.365 -12.374 98 HB3 ASN 13 2HB ASN 13 3.440 -4.997 -12.445 99 HD21 ASN 13 2HD2 ASN 13 1.025 -2.823 -13.695 100 HD22 ASN 13 1HD2 ASN 13 0.468 -3.851 -14.970 101 H PHE 14 H PHE 14 1.844 -6.053 -8.865 102 HA PHE 14 HA PHE 14 2.773 -4.045 -7.131 103 HD1 PHE 14 HD1 PHE 14 1.498 -3.965 -5.088 104 HD2 PHE 14 HD2 PHE 14 0.557 -7.834 -6.597 105 HE1 PHE 14 HE1 PHE 14 -0.807 -3.738 -4.265 106 HE2 PHE 14 HE2 PHE 14 -1.746 -7.602 -5.782 107 HZ PHE 14 HZ PHE 14 -2.433 -5.550 -4.613 108 HB2 PHE 14 1HB PHE 14 2.767 -7.071 -6.809 109 HB3 PHE 14 2HB PHE 14 3.293 -5.994 -5.525 110 H ASN 15 H ASN 15 4.593 -6.459 -8.968 111 HA ASN 15 HA ASN 15 7.109 -6.086 -7.666 112 HB2 ASN 15 1HB ASN 15 6.584 -7.109 -10.485 113 HB3 ASN 15 2HB ASN 15 8.073 -7.324 -9.567 114 HD21 ASN 15 2HD2 ASN 15 6.369 -9.347 -10.717 115 HD22 ASN 15 1HD2 ASN 15 5.843 -10.351 -9.416 116 H ASP 16 H ASP 16 5.435 -4.276 -10.096 117 HA ASP 16 HA ASP 16 7.722 -2.969 -11.276 118 HB2 ASP 16 1HB ASP 16 5.442 -3.349 -12.431 119 HB3 ASP 16 2HB ASP 16 4.809 -2.059 -11.426 120 H PHE 17 H PHE 17 5.704 -2.431 -8.473 121 HA PHE 17 HA PHE 17 6.839 0.304 -8.082 122 HD1 PHE 17 HD2 PHE 17 5.035 1.132 -9.883 123 HD2 PHE 17 HD1 PHE 17 2.359 -1.272 -7.602 124 HE1 PHE 17 HE2 PHE 17 3.513 1.009 -11.802 125 HE2 PHE 17 HE1 PHE 17 0.835 -1.395 -9.529 126 HZ PHE 17 HZ PHE 17 1.420 -0.262 -11.635 127 HB2 PHE 17 1HB PHE 17 4.345 -0.570 -6.599 128 HB3 PHE 17 2HB PHE 17 4.837 1.039 -7.085 129 H ILE 18 H ILE 18 7.510 0.817 -5.874 130 HA ILE 18 HA ILE 18 8.203 -1.384 -4.109 131 HB ILE 18 HB ILE 18 8.345 1.634 -3.604 132 HG12 ILE 18 1HG1 ILE 18 10.591 -0.275 -4.440 133 HG13 ILE 18 2HG1 ILE 18 9.811 0.889 -5.504 134 HG21 ILE 18 1HG2 ILE 18 9.881 1.056 -1.728 135 HG22 ILE 18 2HG2 ILE 18 9.611 -0.660 -2.038 136 HG23 ILE 18 3HG2 ILE 18 8.278 0.358 -1.494 137 HD11 ILE 18 3HD1 ILE 18 11.958 1.689 -4.743 138 HD12 ILE 18 1HD1 ILE 18 11.449 1.548 -3.063 139 HD13 ILE 18 2HD1 ILE 18 10.668 2.721 -4.128 140 H VAL 19 H VAL 19 6.511 -2.341 -3.055 141 HA VAL 19 HA VAL 19 4.004 -0.872 -2.724 142 HB VAL 19 HB VAL 19 4.561 -3.766 -1.905 143 HG11 VAL 19 1HG1 VAL 19 2.140 -4.081 -2.282 144 HG12 VAL 19 2HG1 VAL 19 1.976 -2.371 -2.690 145 HG13 VAL 19 3HG1 VAL 19 2.451 -2.847 -1.060 146 HG21 VAL 19 3HG2 VAL 19 3.671 -2.791 -4.647 147 HG22 VAL 19 1HG2 VAL 19 3.745 -4.477 -4.125 148 HG23 VAL 19 2HG2 VAL 19 5.226 -3.529 -4.257 149 H VAL 20 H VAL 20 2.972 -0.624 -0.693 150 HA VAL 20 HA VAL 20 4.548 -1.058 1.765 151 HB VAL 20 HB VAL 20 3.078 1.507 0.975 152 HG11 VAL 20 1HG1 VAL 20 4.179 0.806 3.727 153 HG12 VAL 20 2HG1 VAL 20 2.479 1.004 3.301 154 HG13 VAL 20 3HG1 VAL 20 3.566 2.390 3.242 155 HG21 VAL 20 3HG2 VAL 20 5.979 1.081 1.818 156 HG22 VAL 20 1HG2 VAL 20 5.235 2.629 1.403 157 HG23 VAL 20 2HG2 VAL 20 5.413 1.380 0.174 158 H ASP 21 H ASP 21 3.406 -2.220 3.166 159 HA ASP 21 HA ASP 21 0.565 -2.734 2.895 160 HB2 ASP 21 1HB ASP 21 2.346 -4.409 3.723 161 HB3 ASP 21 2HB ASP 21 2.469 -3.464 5.200 162 H VAL 22 H VAL 22 -0.677 -0.851 3.342 163 HA VAL 22 HA VAL 22 0.053 0.796 5.683 164 HB VAL 22 HB VAL 22 -1.805 2.370 4.890 165 HG11 VAL 22 1HG1 VAL 22 -0.415 3.371 3.094 166 HG12 VAL 22 2HG1 VAL 22 0.519 1.879 2.982 167 HG13 VAL 22 3HG1 VAL 22 0.573 2.843 4.459 168 HG21 VAL 22 3HG2 VAL 22 -3.068 0.751 3.492 169 HG22 VAL 22 1HG2 VAL 22 -1.711 0.665 2.365 170 HG23 VAL 22 2HG2 VAL 22 -2.598 2.179 2.562 171 H ARG 23 H ARG 23 -0.467 -0.760 7.214 172 HA ARG 23 HA ARG 23 -3.280 -0.842 7.989 173 HE ARG 23 HE ARG 23 -1.898 -4.984 5.353 174 HB2 ARG 23 1HB ARG 23 -1.736 -3.419 7.429 175 HB3 ARG 23 2HB ARG 23 -3.258 -3.348 8.303 176 HG2 ARG 23 1HG ARG 23 -4.339 -2.414 6.228 177 HG3 ARG 23 2HG ARG 23 -2.819 -2.669 5.367 178 HD2 ARG 23 1HD ARG 23 -4.478 -4.835 6.714 179 HD3 ARG 23 2HD ARG 23 -4.466 -4.485 4.984 180 HH11 ARG 23 1HH1 ARG 23 -4.562 -6.747 6.836 181 HH12 ARG 23 2HH1 ARG 23 -3.749 -8.274 6.753 182 HH21 ARG 23 1HH2 ARG 23 -0.871 -6.960 5.249 183 HH22 ARG 23 2HH2 ARG 23 -1.645 -8.385 5.862 184 H GLU 24 H GLU 24 -0.783 -3.110 9.156 185 HA GLU 24 HA GLU 24 0.037 -1.631 11.443 186 HB2 GLU 24 1HB GLU 24 -2.612 -2.312 11.734 187 HB3 GLU 24 2HB GLU 24 -1.902 -3.788 12.354 188 HG2 GLU 24 1HG GLU 24 -1.347 -1.009 13.448 189 HG3 GLU 24 2HG GLU 24 -2.540 -2.122 14.107 190 H LEU 25 H LEU 25 1.323 -3.046 12.937 191 HA LEU 25 HA LEU 25 2.953 -4.960 11.835 192 HG LEU 25 HG LEU 25 3.208 -6.852 14.474 193 HB2 LEU 25 1HB LEU 25 3.472 -3.860 13.946 194 HB3 LEU 25 2HB LEU 25 2.090 -4.610 14.729 195 HD11 LEU 25 1HD1 LEU 25 5.601 -5.262 13.506 196 HD12 LEU 25 2HD1 LEU 25 4.637 -6.382 12.541 197 HD13 LEU 25 3HD1 LEU 25 5.586 -6.982 13.898 198 HD21 LEU 25 3HD2 LEU 25 4.867 -6.532 16.264 199 HD22 LEU 25 1HD2 LEU 25 3.394 -5.618 16.590 200 HD23 LEU 25 2HD2 LEU 25 4.836 -4.788 15.996 201 H ASP 26 H ASP 26 0.103 -5.591 13.910 202 HA ASP 26 HA ASP 26 0.154 -8.383 13.894 203 HB2 ASP 26 1HB ASP 26 -1.188 -7.110 15.482 204 HB3 ASP 26 2HB ASP 26 -2.184 -6.461 14.185 205 H GLU 27 H GLU 27 -1.403 -6.146 11.660 206 HA GLU 27 HA GLU 27 -2.768 -7.977 9.976 207 HB2 GLU 27 1HB GLU 27 -1.663 -5.181 9.463 208 HB3 GLU 27 2HB GLU 27 -2.728 -6.035 8.358 209 HG2 GLU 27 1HG GLU 27 -3.473 -5.272 11.195 210 HG3 GLU 27 2HG GLU 27 -3.874 -4.327 9.759 211 H TYR 28 H TYR 28 0.492 -6.610 9.871 212 HA TYR 28 HA TYR 28 1.394 -7.686 7.408 213 HD1 TYR 28 HD1 TYR 28 4.409 -8.220 10.495 214 HD2 TYR 28 HD2 TYR 28 4.339 -6.416 6.618 215 HE1 TYR 28 HE1 TYR 28 6.700 -8.980 10.098 216 HE2 TYR 28 HE2 TYR 28 6.637 -7.191 6.226 217 HH TYR 28 HH TYR 28 8.117 -9.529 8.126 218 HB2 TYR 28 1HB TYR 28 2.619 -5.860 8.282 219 HB3 TYR 28 2HB TYR 28 2.684 -6.531 9.898 220 H GLU 29 H GLU 29 1.337 -8.924 10.705 221 HA GLU 29 HA GLU 29 3.203 -11.035 10.419 222 HB2 GLU 29 1HB GLU 29 1.013 -10.641 12.496 223 HB3 GLU 29 2HB GLU 29 2.279 -11.849 12.608 224 HG2 GLU 29 1HG GLU 29 3.979 -10.022 12.623 225 HG3 GLU 29 2HG GLU 29 2.672 -8.848 12.617 226 H GLU 30 H GLU 30 -0.351 -11.021 10.447 227 HA GLU 30 HA GLU 30 -0.770 -13.786 10.109 228 HB2 GLU 30 1HB GLU 30 -3.080 -12.987 9.149 229 HB3 GLU 30 2HB GLU 30 -2.687 -12.636 10.824 230 HG2 GLU 30 1HG GLU 30 -2.237 -10.349 10.348 231 HG3 GLU 30 2HG GLU 30 -2.207 -10.642 8.613 232 H LEU 31 H LEU 31 -0.690 -11.185 7.639 233 HA LEU 31 HA LEU 31 0.614 -12.769 5.699 234 HG LEU 31 HG LEU 31 -3.568 -13.012 4.590 235 HB2 LEU 31 1HB LEU 31 -1.062 -13.089 3.991 236 HB3 LEU 31 2HB LEU 31 -1.594 -13.849 5.468 237 HD11 LEU 31 1HD1 LEU 31 -3.433 -12.293 6.896 238 HD12 LEU 31 2HD1 LEU 31 -4.393 -11.174 5.932 239 HD13 LEU 31 3HD1 LEU 31 -2.743 -10.746 6.396 240 HD21 LEU 31 3HD2 LEU 31 -2.690 -11.754 2.718 241 HD22 LEU 31 1HD2 LEU 31 -2.253 -10.416 3.785 242 HD23 LEU 31 2HD2 LEU 31 -3.950 -10.844 3.544 243 H HIS 32 H HIS 32 1.210 -11.579 3.822 244 HA HIS 32 HA HIS 32 0.261 -8.972 3.180 245 HD1 HIS 32 HD1 HIS 32 3.076 -10.758 5.743 246 HD2 HIS 32 HD2 HIS 32 4.804 -7.612 3.657 247 HE1 HIS 32 HE1 HIS 32 5.537 -11.231 5.691 248 HE2 HIS 32 HE2 HIS 32 6.570 -9.224 4.615 249 HB2 HIS 32 1HB HIS 32 2.112 -7.550 3.897 250 HB3 HIS 32 2HB HIS 32 1.549 -8.424 5.319 251 H LEU 33 H LEU 33 1.875 -7.907 1.559 252 HA LEU 33 HA LEU 33 2.803 -9.899 -0.341 253 HG LEU 33 HG LEU 33 0.585 -8.119 -0.725 254 HB2 LEU 33 1HB LEU 33 2.797 -6.864 -0.341 255 HB3 LEU 33 2HB LEU 33 3.443 -7.813 -1.674 256 HD11 LEU 33 1HD1 LEU 33 1.616 -6.252 -2.877 257 HD12 LEU 33 2HD1 LEU 33 0.856 -5.786 -1.351 258 HD13 LEU 33 3HD1 LEU 33 -0.084 -6.629 -2.578 259 HD21 LEU 33 3HD2 LEU 33 0.212 -9.078 -2.972 260 HD22 LEU 33 1HD2 LEU 33 1.433 -9.990 -2.085 261 HD23 LEU 33 2HD2 LEU 33 1.921 -8.867 -3.357 262 HA PRO 34 HA PRO 34 7.079 -9.882 1.071 263 HB2 PRO 34 1HB PRO 34 8.350 -10.845 -1.157 264 HB3 PRO 34 2HB PRO 34 7.315 -11.861 -0.146 265 HG2 PRO 34 1HG PRO 34 6.643 -10.464 -2.728 266 HG3 PRO 34 2HG PRO 34 6.286 -12.136 -2.238 267 HD2 PRO 34 1HD PRO 34 4.436 -10.138 -2.092 268 HD3 PRO 34 2HD PRO 34 4.450 -11.486 -0.938 269 H ASN 35 H ASN 35 5.958 -7.928 -1.508 270 HA ASN 35 HA ASN 35 8.419 -6.317 -1.735 271 HB2 ASN 35 1HB ASN 35 5.809 -6.089 -3.308 272 HB3 ASN 35 2HB ASN 35 7.348 -5.323 -3.703 273 HD21 ASN 35 2HD2 ASN 35 5.572 -7.269 -5.141 274 HD22 ASN 35 1HD2 ASN 35 6.632 -8.534 -5.642 275 H ALA 36 H ALA 36 5.830 -6.462 0.272 276 HA ALA 36 HA ALA 36 5.089 -3.632 0.333 277 HB1 ALA 36 3HB ALA 36 3.300 -5.307 0.470 278 HB2 ALA 36 1HB ALA 36 3.338 -4.296 1.916 279 HB3 ALA 36 2HB ALA 36 3.989 -5.939 1.964 280 H THR 37 H THR 37 6.076 -2.228 1.613 281 HA THR 37 HA THR 37 7.744 -2.937 3.873 282 HB THR 37 HB THR 37 6.887 -0.215 2.767 283 HG1 THR 37 HG1 THR 37 8.153 -1.413 1.306 284 HG21 THR 37 3HG2 THR 37 8.787 0.717 4.051 285 HG22 THR 37 1HG2 THR 37 9.105 -0.872 4.757 286 HG23 THR 37 2HG2 THR 37 7.605 -0.019 5.132 287 H LEU 38 H LEU 38 7.056 -2.953 5.980 288 HA LEU 38 HA LEU 38 4.285 -2.649 6.638 289 HG LEU 38 HG LEU 38 5.148 -2.139 9.881 290 HB2 LEU 38 1HB LEU 38 5.568 -4.322 7.794 291 HB3 LEU 38 2HB LEU 38 6.763 -3.146 8.323 292 HD11 LEU 38 1HD1 LEU 38 2.903 -3.132 10.248 293 HD12 LEU 38 2HD1 LEU 38 3.137 -4.154 8.829 294 HD13 LEU 38 3HD1 LEU 38 3.065 -2.400 8.652 295 HD21 LEU 38 3HD2 LEU 38 4.900 -4.007 11.459 296 HD22 LEU 38 1HD2 LEU 38 6.486 -4.035 10.688 297 HD23 LEU 38 2HD2 LEU 38 5.229 -5.160 10.165 298 H ILE 39 H ILE 39 3.454 -0.650 6.575 299 HA ILE 39 HA ILE 39 4.383 1.312 8.575 300 HB ILE 39 HB ILE 39 3.480 2.033 5.738 301 HG12 ILE 39 1HG1 ILE 39 6.178 2.518 7.094 302 HG13 ILE 39 2HG1 ILE 39 5.866 1.323 5.847 303 HG21 ILE 39 1HG2 ILE 39 4.110 3.892 8.070 304 HG22 ILE 39 2HG2 ILE 39 2.537 3.652 7.310 305 HG23 ILE 39 3HG2 ILE 39 3.840 4.415 6.406 306 HD11 ILE 39 3HD1 ILE 39 7.006 3.238 4.927 307 HD12 ILE 39 1HD1 ILE 39 5.747 4.322 5.521 308 HD13 ILE 39 2HD1 ILE 39 5.379 3.147 4.256 309 H SER 40 H SER 40 2.694 2.083 9.775 310 HA SER 40 HA SER 40 0.025 1.010 9.303 311 HG SER 40 HG SER 40 1.726 0.365 11.174 312 HB2 SER 40 1HB SER 40 1.103 2.736 11.562 313 HB3 SER 40 2HB SER 40 -0.514 2.033 11.502 314 H VAL 41 H VAL 41 -1.637 2.112 8.471 315 HA VAL 41 HA VAL 41 -1.487 4.433 6.984 316 HB VAL 41 HB VAL 41 -3.260 2.790 6.685 317 HG11 VAL 41 1HG1 VAL 41 -4.383 3.653 9.379 318 HG12 VAL 41 2HG1 VAL 41 -3.569 2.124 9.036 319 HG13 VAL 41 3HG1 VAL 41 -5.115 2.486 8.276 320 HG21 VAL 41 3HG2 VAL 41 -3.790 5.052 5.868 321 HG22 VAL 41 1HG2 VAL 41 -4.477 5.488 7.435 322 HG23 VAL 41 2HG2 VAL 41 -5.255 4.258 6.437 323 H ASN 42 H ASN 42 -2.110 4.160 10.442 324 HA ASN 42 HA ASN 42 -3.156 6.826 10.826 325 HB2 ASN 42 1HB ASN 42 -2.961 6.247 13.260 326 HB3 ASN 42 2HB ASN 42 -3.851 5.048 12.330 327 HD21 ASN 42 2HD2 ASN 42 -0.818 5.697 13.978 328 HD22 ASN 42 1HD2 ASN 42 -0.306 4.052 14.084 329 H ASP 43 H ASP 43 0.002 5.490 10.560 330 HA ASP 43 HA ASP 43 1.308 7.725 11.945 331 HB2 ASP 43 1HB ASP 43 2.436 5.142 10.789 332 HB3 ASP 43 2HB ASP 43 3.448 6.432 11.434 333 H GLN 44 H GLN 44 0.481 9.235 10.413 334 HA GLN 44 HA GLN 44 1.274 9.405 7.718 335 HB2 GLN 44 1HB GLN 44 0.400 11.466 9.765 336 HB3 GLN 44 2HB GLN 44 1.010 12.008 8.205 337 HG2 GLN 44 1HG GLN 44 -1.374 11.938 8.055 338 HG3 GLN 44 2HG GLN 44 -0.728 10.626 7.075 339 HE21 GLN 44 2HE2 GLN 44 -2.668 9.480 7.118 340 HE22 GLN 44 1HE2 GLN 44 -3.237 8.671 8.532 341 H GLU 45 H GLU 45 3.055 10.022 10.667 342 HA GLU 45 HA GLU 45 5.165 11.533 9.465 343 HB2 GLU 45 1HB GLU 45 6.394 11.095 11.615 344 HB3 GLU 45 2HB GLU 45 4.819 11.841 11.796 345 HG2 GLU 45 1HG GLU 45 4.932 10.304 13.552 346 HG3 GLU 45 2HG GLU 45 3.927 9.507 12.345 347 H LYS 46 H LYS 46 4.631 8.077 9.941 348 HA LYS 46 HA LYS 46 7.291 7.278 9.140 349 HB2 LYS 46 1HB LYS 46 5.860 5.886 10.642 350 HB3 LYS 46 2HB LYS 46 4.743 5.610 9.317 351 HG2 LYS 46 1HG LYS 46 6.062 3.631 9.543 352 HG3 LYS 46 2HG LYS 46 6.618 4.436 8.081 353 HD2 LYS 46 1HD LYS 46 8.082 4.926 10.681 354 HD3 LYS 46 2HD LYS 46 8.354 3.415 9.824 355 HE2 LYS 46 1HE LYS 46 9.226 4.585 7.897 356 HE3 LYS 46 2HE LYS 46 8.740 6.148 8.555 357 HZ1 LYS 46 3HZ LYS 46 10.778 4.356 9.760 358 HZ2 LYS 46 1HZ LYS 46 10.322 5.877 10.330 359 HZ3 LYS 46 2HZ LYS 46 11.103 5.736 8.841 360 H LEU 47 H LEU 47 4.104 7.422 7.614 361 HA LEU 47 HA LEU 47 4.692 6.551 5.030 362 HG LEU 47 HG LEU 47 2.314 6.078 6.558 363 HB2 LEU 47 1HB LEU 47 2.726 8.583 6.127 364 HB3 LEU 47 2HB LEU 47 2.768 8.189 4.420 365 HD11 LEU 47 1HD1 LEU 47 0.498 7.717 6.739 366 HD12 LEU 47 2HD1 LEU 47 -0.088 6.200 6.061 367 HD13 LEU 47 3HD1 LEU 47 0.190 7.586 5.004 368 HD21 LEU 47 3HD2 LEU 47 3.120 5.244 4.369 369 HD22 LEU 47 1HD2 LEU 47 1.769 6.050 3.560 370 HD23 LEU 47 2HD2 LEU 47 1.463 4.727 4.686 371 H ALA 48 H ALA 48 4.864 9.809 6.430 372 HA ALA 48 HA ALA 48 5.758 11.202 4.136 373 HB1 ALA 48 3HB ALA 48 6.260 13.046 5.684 374 HB2 ALA 48 1HB ALA 48 6.074 11.959 7.061 375 HB3 ALA 48 2HB ALA 48 4.684 12.336 6.043 376 H ASP 49 H ASP 49 7.461 9.678 6.858 377 HA ASP 49 HA ASP 49 10.082 10.580 6.310 378 HB2 ASP 49 1HB ASP 49 9.516 9.610 8.483 379 HB3 ASP 49 2HB ASP 49 9.125 8.065 7.734 380 H PHE 50 H PHE 50 8.323 7.653 5.288 381 HA PHE 50 HA PHE 50 10.444 6.309 3.981 382 HD1 PHE 50 HD2 PHE 50 10.054 3.593 4.094 383 HD2 PHE 50 HD1 PHE 50 7.414 5.198 1.130 384 HE1 PHE 50 HE2 PHE 50 10.562 1.702 2.608 385 HE2 PHE 50 HE1 PHE 50 7.936 3.299 -0.342 386 HZ PHE 50 HZ PHE 50 9.507 1.554 0.389 387 HB2 PHE 50 1HB PHE 50 8.221 5.309 4.654 388 HB3 PHE 50 2HB PHE 50 7.462 6.182 3.328 389 H LEU 51 H LEU 51 8.076 8.653 2.918 390 HA LEU 51 HA LEU 51 8.973 8.793 0.178 391 HG LEU 51 HG LEU 51 6.218 8.159 1.427 392 HB2 LEU 51 1HB LEU 51 7.035 10.522 1.742 393 HB3 LEU 51 2HB LEU 51 7.306 10.630 0.007 394 HD11 LEU 51 1HD1 LEU 51 4.724 10.202 -0.224 395 HD12 LEU 51 2HD1 LEU 51 4.621 10.010 1.527 396 HD13 LEU 51 3HD1 LEU 51 4.053 8.722 0.466 397 HD21 LEU 51 3HD2 LEU 51 7.413 7.569 -0.636 398 HD22 LEU 51 1HD2 LEU 51 6.462 8.746 -1.549 399 HD23 LEU 51 2HD2 LEU 51 5.681 7.334 -0.838 400 H SER 52 H SER 52 9.920 10.373 3.138 401 HA SER 52 HA SER 52 11.233 12.607 1.824 402 HG SER 52 HG SER 52 9.484 12.737 3.721 403 HB2 SER 52 1HB SER 52 11.430 11.572 4.680 404 HB3 SER 52 2HB SER 52 12.252 13.019 4.090 405 H GLN 53 H GLN 53 12.072 9.293 2.616 406 HA GLN 53 HA GLN 53 14.904 9.447 2.465 407 HB2 GLN 53 1HB GLN 53 13.114 7.114 1.650 408 HB3 GLN 53 2HB GLN 53 14.841 7.013 1.992 409 HG2 GLN 53 1HG GLN 53 12.611 7.616 3.957 410 HG3 GLN 53 2HG GLN 53 13.611 6.169 3.893 411 HE21 GLN 53 2HE2 GLN 53 13.146 8.167 6.057 412 HE22 GLN 53 1HE2 GLN 53 14.722 8.692 6.533 413 H HIS 54 H HIS 54 12.417 9.466 0.108 414 HA HIS 54 HA HIS 54 13.909 10.555 -2.000 415 HD1 HIS 54 HD1 HIS 54 15.726 6.792 -1.796 416 HD2 HIS 54 HD2 HIS 54 15.482 9.899 -4.531 417 HE1 HIS 54 HE1 HIS 54 18.011 6.995 -2.789 418 HE2 HIS 54 HE2 HIS 54 17.786 8.754 -4.571 419 HB2 HIS 54 1HB HIS 54 13.364 7.570 -2.140 420 HB3 HIS 54 2HB HIS 54 13.074 8.500 -3.604 421 H LYS 55 H LYS 55 12.337 12.013 -2.516 422 HA LYS 55 HA LYS 55 9.555 11.498 -2.031 423 HB2 LYS 55 1HB LYS 55 10.950 13.811 -3.420 424 HB3 LYS 55 2HB LYS 55 9.201 13.735 -3.213 425 HG2 LYS 55 1HG LYS 55 9.502 13.626 -0.759 426 HG3 LYS 55 2HG LYS 55 11.246 13.728 -0.972 427 HD2 LYS 55 1HD LYS 55 10.292 15.888 -0.290 428 HD3 LYS 55 2HD LYS 55 11.029 15.999 -1.884 429 HE2 LYS 55 1HE LYS 55 8.061 15.535 -1.594 430 HE3 LYS 55 2HE LYS 55 8.727 17.158 -1.450 431 HZ1 LYS 55 3HZ LYS 55 8.035 16.818 -3.687 432 HZ2 LYS 55 1HZ LYS 55 8.897 15.369 -3.818 433 HZ3 LYS 55 2HZ LYS 55 9.726 16.836 -3.686 434 H ASP 56 H ASP 56 11.520 11.737 -4.962 435 HA ASP 56 HA ASP 56 9.325 10.799 -6.636 436 HB2 ASP 56 1HB ASP 56 10.785 12.587 -7.506 437 HB3 ASP 56 2HB ASP 56 12.196 11.542 -7.335 438 H LYS 57 H LYS 57 9.059 8.715 -5.736 439 HA LYS 57 HA LYS 57 10.346 6.837 -7.472 440 HB2 LYS 57 1HB LYS 57 11.236 5.251 -5.986 441 HB3 LYS 57 2HB LYS 57 11.797 6.776 -5.336 442 HG2 LYS 57 1HG LYS 57 9.587 5.024 -4.225 443 HG3 LYS 57 2HG LYS 57 11.196 5.265 -3.548 444 HD2 LYS 57 1HD LYS 57 10.521 7.759 -3.345 445 HD3 LYS 57 2HD LYS 57 8.874 7.198 -3.623 446 HE2 LYS 57 1HE LYS 57 9.157 7.350 -1.257 447 HE3 LYS 57 2HE LYS 57 9.192 5.632 -1.644 448 HZ1 LYS 57 3HZ LYS 57 10.920 6.219 -0.076 449 HZ2 LYS 57 1HZ LYS 57 11.562 7.352 -1.156 450 HZ3 LYS 57 2HZ LYS 57 11.611 5.700 -1.529 451 H LYS 58 H LYS 58 9.086 4.876 -7.672 452 HA LYS 58 HA LYS 58 6.279 5.583 -7.545 453 HB2 LYS 58 1HB LYS 58 7.545 4.667 -9.572 454 HB3 LYS 58 2HB LYS 58 7.488 3.089 -8.783 455 HG2 LYS 58 1HG LYS 58 5.185 2.870 -9.081 456 HG3 LYS 58 2HG LYS 58 4.914 4.613 -9.141 457 HD2 LYS 58 1HD LYS 58 4.571 3.590 -11.355 458 HD3 LYS 58 2HD LYS 58 5.919 4.729 -11.369 459 HE2 LYS 58 1HE LYS 58 7.527 2.882 -11.294 460 HE3 LYS 58 2HE LYS 58 6.213 1.710 -11.140 461 HZ1 LYS 58 3HZ LYS 58 5.428 2.521 -13.347 462 HZ2 LYS 58 1HZ LYS 58 6.910 1.713 -13.376 463 HZ3 LYS 58 2HZ LYS 58 6.863 3.399 -13.486 464 H VAL 59 H VAL 59 5.604 5.306 -5.461 465 HA VAL 59 HA VAL 59 5.832 2.629 -4.218 466 HB VAL 59 HB VAL 59 5.484 5.395 -2.982 467 HG11 VAL 59 1HG1 VAL 59 5.337 4.295 -0.748 468 HG12 VAL 59 2HG1 VAL 59 5.202 2.722 -1.542 469 HG13 VAL 59 3HG1 VAL 59 3.937 3.931 -1.757 470 HG21 VAL 59 3HG2 VAL 59 7.774 4.702 -3.512 471 HG22 VAL 59 1HG2 VAL 59 7.561 3.202 -2.604 472 HG23 VAL 59 2HG2 VAL 59 7.544 4.757 -1.767 473 H LEU 60 H LEU 60 4.083 1.520 -3.688 474 HA LEU 60 HA LEU 60 1.406 2.607 -4.364 475 HG LEU 60 HG LEU 60 -0.094 0.029 -4.150 476 HB2 LEU 60 1HB LEU 60 2.254 0.839 -5.909 477 HB3 LEU 60 2HB LEU 60 2.445 -0.246 -4.539 478 HD11 LEU 60 1HD1 LEU 60 -0.440 2.031 -5.520 479 HD12 LEU 60 2HD1 LEU 60 -1.448 0.698 -6.077 480 HD13 LEU 60 3HD1 LEU 60 0.010 1.131 -6.972 481 HD21 LEU 60 3HD2 LEU 60 0.806 -1.343 -6.693 482 HD22 LEU 60 1HD2 LEU 60 -0.665 -1.681 -5.782 483 HD23 LEU 60 2HD2 LEU 60 0.909 -2.016 -5.065 484 H LEU 61 H LEU 61 0.528 3.109 -2.396 485 HA LEU 61 HA LEU 61 0.941 1.554 0.007 486 HG LEU 61 HG LEU 61 1.001 4.790 -0.952 487 HB2 LEU 61 1HB LEU 61 -1.168 3.698 -0.525 488 HB3 LEU 61 2HB LEU 61 -0.611 3.136 1.040 489 HD11 LEU 61 1HD1 LEU 61 -0.713 6.091 0.244 490 HD12 LEU 61 2HD1 LEU 61 0.912 6.568 0.730 491 HD13 LEU 61 3HD1 LEU 61 -0.058 5.542 1.790 492 HD21 LEU 61 3HD2 LEU 61 2.771 4.897 0.765 493 HD22 LEU 61 1HD2 LEU 61 2.511 3.245 0.207 494 HD23 LEU 61 2HD2 LEU 61 1.870 3.759 1.769 495 H HIS 62 H HIS 62 0.131 -0.561 -0.246 496 HA HIS 62 HA HIS 62 -2.500 -0.975 -1.461 497 HD1 HIS 62 HD1 HIS 62 -2.628 -4.584 0.337 498 HD2 HIS 62 HD2 HIS 62 1.340 -3.400 0.277 499 HE1 HIS 62 HE1 HIS 62 -1.494 -5.947 2.102 500 HE2 HIS 62 HE2 HIS 62 0.826 -5.020 2.210 501 HB2 HIS 62 1HB HIS 62 -1.945 -3.206 -1.787 502 HB3 HIS 62 2HB HIS 62 -0.339 -2.500 -1.796 503 H CYS 63 H CYS 63 -4.324 -1.596 -0.399 504 HA CYS 63 HA CYS 63 -4.243 -1.609 2.579 505 HG CYS 63 HG CYS 63 -6.637 -0.879 4.050 506 HB2 CYS 63 1HB CYS 63 -5.333 0.370 1.811 507 HB3 CYS 63 2HB CYS 63 -6.322 -0.523 0.657 508 H ARG 64 H ARG 64 -5.767 -2.817 3.703 509 HA ARG 64 HA ARG 64 -6.308 -5.458 3.140 510 HE ARG 64 HE ARG 64 -8.571 -7.820 6.629 511 HB2 ARG 64 1HB ARG 64 -6.582 -3.931 5.314 512 HB3 ARG 64 2HB ARG 64 -8.252 -3.825 4.803 513 HG2 ARG 64 1HG ARG 64 -6.800 -6.424 5.394 514 HG3 ARG 64 2HG ARG 64 -7.772 -5.539 6.565 515 HD2 ARG 64 1HD ARG 64 -9.742 -5.828 5.028 516 HD3 ARG 64 2HD ARG 64 -8.734 -6.863 4.016 517 HH11 ARG 64 1HH1 ARG 64 -11.003 -7.637 4.100 518 HH12 ARG 64 2HH1 ARG 64 -11.902 -8.979 4.723 519 HH21 ARG 64 1HH2 ARG 64 -9.753 -9.574 7.401 520 HH22 ARG 64 2HH2 ARG 64 -11.192 -10.084 6.572 521 H ALA 65 H ALA 65 -8.343 -2.610 2.390 522 HA ALA 65 HA ALA 65 -9.924 -4.249 0.496 523 HB1 ALA 65 3HB ALA 65 -11.129 -2.181 2.361 524 HB2 ALA 65 1HB ALA 65 -11.296 -3.929 2.523 525 HB3 ALA 65 2HB ALA 65 -11.993 -3.099 1.130 526 H GLY 66 H GLY 66 -9.185 -0.830 1.476 527 HA2 GLY 66 1HA GLY 66 -7.923 -0.028 -0.807 528 HA3 GLY 66 2HA GLY 66 -9.616 0.157 -1.225 529 H ARG 67 H ARG 67 -10.353 0.985 1.539 530 HA ARG 67 HA ARG 67 -10.168 3.761 1.162 531 HE ARG 67 HE ARG 67 -10.674 6.637 4.653 532 HB2 ARG 67 1HB ARG 67 -12.044 2.887 2.412 533 HB3 ARG 67 2HB ARG 67 -10.984 2.175 3.622 534 HG2 ARG 67 1HG ARG 67 -12.079 4.203 4.492 535 HG3 ARG 67 2HG ARG 67 -10.328 4.399 4.419 536 HD2 ARG 67 1HD ARG 67 -10.780 5.538 2.100 537 HD3 ARG 67 2HD ARG 67 -12.445 5.683 2.681 538 HH11 ARG 67 1HH1 ARG 67 -11.924 7.588 1.518 539 HH12 ARG 67 2HH1 ARG 67 -11.645 9.279 1.799 540 HH21 ARG 67 1HH2 ARG 67 -10.262 8.836 4.981 541 HH22 ARG 67 2HH2 ARG 67 -10.713 9.987 3.761 542 H ARG 68 H ARG 68 -8.315 1.647 3.427 543 HA ARG 68 HA ARG 68 -6.936 3.771 4.739 544 HE ARG 68 HE ARG 68 -9.490 1.404 7.528 545 HB2 ARG 68 1HB ARG 68 -5.998 0.891 4.385 546 HB3 ARG 68 2HB ARG 68 -5.362 2.043 5.556 547 HG2 ARG 68 1HG ARG 68 -8.198 0.990 5.501 548 HG3 ARG 68 2HG ARG 68 -6.920 0.422 6.566 549 HD2 ARG 68 1HD ARG 68 -6.809 2.621 7.650 550 HD3 ARG 68 2HD ARG 68 -8.014 3.256 6.528 551 HH11 ARG 68 1HH1 ARG 68 -7.101 3.125 9.447 552 HH12 ARG 68 2HH1 ARG 68 -8.040 3.042 10.899 553 HH21 ARG 68 1HH2 ARG 68 -10.714 1.327 9.430 554 HH22 ARG 68 2HH2 ARG 68 -10.091 2.025 10.892 555 H ALA 69 H ALA 69 -6.357 2.086 1.758 556 HA ALA 69 HA ALA 69 -3.738 2.969 1.143 557 HB1 ALA 69 3HB ALA 69 -6.001 2.323 -0.787 558 HB2 ALA 69 1HB ALA 69 -4.918 1.140 -0.054 559 HB3 ALA 69 2HB ALA 69 -4.277 2.344 -1.156 560 H LEU 70 H LEU 70 -6.920 4.225 0.114 561 HA LEU 70 HA LEU 70 -6.104 6.557 -1.183 562 HG LEU 70 HG LEU 70 -8.610 8.351 0.045 563 HB2 LEU 70 1HB LEU 70 -8.354 5.701 -1.446 564 HB3 LEU 70 2HB LEU 70 -8.677 5.864 0.271 565 HD11 LEU 70 1HD1 LEU 70 -8.336 7.870 -2.936 566 HD12 LEU 70 2HD1 LEU 70 -7.109 8.570 -1.879 567 HD13 LEU 70 3HD1 LEU 70 -8.622 9.429 -2.157 568 HD21 LEU 70 3HD2 LEU 70 -10.579 7.024 -1.845 569 HD22 LEU 70 1HD2 LEU 70 -10.752 8.621 -1.111 570 HD23 LEU 70 2HD2 LEU 70 -10.765 7.182 -0.095 571 H ASP 71 H ASP 71 -7.356 6.234 2.113 572 HA ASP 71 HA ASP 71 -7.272 8.806 3.049 573 HB2 ASP 71 1HB ASP 71 -8.369 6.902 4.188 574 HB3 ASP 71 2HB ASP 71 -6.801 6.209 4.579 575 H ALA 72 H ALA 72 -4.734 6.324 3.472 576 HA ALA 72 HA ALA 72 -2.763 7.862 4.725 577 HB1 ALA 72 3HB ALA 72 -2.662 5.415 4.521 578 HB2 ALA 72 1HB ALA 72 -1.181 6.153 3.909 579 HB3 ALA 72 2HB ALA 72 -2.402 5.550 2.783 580 H ALA 73 H ALA 73 -3.222 7.185 1.253 581 HA ALA 73 HA ALA 73 -1.024 8.653 0.302 582 HB1 ALA 73 3HB ALA 73 -2.029 8.408 -1.915 583 HB2 ALA 73 1HB ALA 73 -3.565 7.926 -1.187 584 HB3 ALA 73 2HB ALA 73 -2.142 6.898 -1.008 585 H LYS 74 H LYS 74 -4.344 9.705 1.060 586 HA LYS 74 HA LYS 74 -4.337 12.170 -0.350 587 HB2 LYS 74 1HB LYS 74 -5.858 11.622 2.243 588 HB3 LYS 74 2HB LYS 74 -6.177 12.915 1.092 589 HG2 LYS 74 1HG LYS 74 -6.528 10.855 -0.583 590 HG3 LYS 74 2HG LYS 74 -6.833 9.995 0.920 591 HD2 LYS 74 1HD LYS 74 -8.972 10.678 0.158 592 HD3 LYS 74 2HD LYS 74 -8.576 11.821 1.444 593 HE2 LYS 74 1HE LYS 74 -7.902 13.491 -0.245 594 HE3 LYS 74 2HE LYS 74 -8.239 12.336 -1.540 595 HZ1 LYS 74 3HZ LYS 74 -10.005 13.973 -1.192 596 HZ2 LYS 74 1HZ LYS 74 -10.267 13.372 0.366 597 HZ3 LYS 74 2HZ LYS 74 -10.549 12.388 -0.984 598 H SER 75 H SER 75 -3.682 11.385 3.031 599 HA SER 75 HA SER 75 -2.936 13.833 4.050 600 HG SER 75 HG SER 75 -3.770 10.741 4.948 601 HB2 SER 75 1HB SER 75 -1.670 11.166 4.783 602 HB3 SER 75 2HB SER 75 -1.850 12.584 5.822 603 H MET 76 H MET 76 -0.887 11.437 2.409 604 HA MET 76 HA MET 76 1.600 12.793 2.647 605 HB2 MET 76 1HB MET 76 0.573 10.597 0.832 606 HB3 MET 76 2HB MET 76 2.209 11.220 0.658 607 HG2 MET 76 1HG MET 76 1.943 9.098 2.018 608 HG3 MET 76 2HG MET 76 2.876 10.387 2.770 609 HE1 MET 76 3HE MET 76 0.995 11.180 5.953 610 HE2 MET 76 1HE MET 76 1.592 12.132 4.595 611 HE3 MET 76 2HE MET 76 2.577 10.828 5.263 612 H HIS 77 H HIS 77 -0.832 12.755 0.042 613 HA HIS 77 HA HIS 77 0.547 14.437 -1.771 614 HD1 HIS 77 HD1 HIS 77 -1.411 14.015 -4.922 615 HD2 HIS 77 HD2 HIS 77 -0.718 11.067 -2.082 616 HE1 HIS 77 HE1 HIS 77 -0.882 11.933 -6.218 617 HE2 HIS 77 HE2 HIS 77 -0.628 10.145 -4.482 618 HB2 HIS 77 1HB HIS 77 -2.333 13.588 -1.498 619 HB3 HIS 77 2HB HIS 77 -1.915 14.845 -2.650 620 H GLU 78 H GLU 78 -1.469 15.137 1.013 621 HA GLU 78 HA GLU 78 -1.790 17.944 0.551 622 HB2 GLU 78 1HB GLU 78 -2.030 16.394 3.159 623 HB3 GLU 78 2HB GLU 78 -2.670 18.007 2.846 624 HG2 GLU 78 1HG GLU 78 -3.552 15.452 1.496 625 HG3 GLU 78 2HG GLU 78 -4.419 16.279 2.760 626 H LEU 79 H LEU 79 0.644 15.952 2.095 627 HA LEU 79 HA LEU 79 2.128 18.162 3.251 628 HG LEU 79 HG LEU 79 1.201 15.185 4.273 629 HB2 LEU 79 1HB LEU 79 3.070 15.323 2.711 630 HB3 LEU 79 2HB LEU 79 3.876 16.506 3.732 631 HD11 LEU 79 1HD1 LEU 79 3.840 14.891 5.720 632 HD12 LEU 79 2HD1 LEU 79 3.107 13.699 4.646 633 HD13 LEU 79 3HD1 LEU 79 2.316 14.117 6.165 634 HD21 LEU 79 3HD2 LEU 79 2.650 17.237 5.982 635 HD22 LEU 79 1HD2 LEU 79 1.203 16.341 6.455 636 HD23 LEU 79 2HD2 LEU 79 1.131 17.489 5.120 637 H GLY 80 H GLY 80 1.899 16.724 0.126 638 HA2 GLY 80 1HA GLY 80 2.684 18.078 -1.740 639 HA3 GLY 80 2HA GLY 80 4.166 18.393 -0.854 640 H TYR 81 H TYR 81 3.416 15.188 -0.344 641 HA TYR 81 HA TYR 81 5.286 14.208 -2.374 642 HD1 TYR 81 HD2 TYR 81 7.298 13.556 -0.746 643 HD2 TYR 81 HD1 TYR 81 3.890 13.243 1.830 644 HE1 TYR 81 HE2 TYR 81 8.674 14.232 1.170 645 HE2 TYR 81 HE1 TYR 81 5.277 13.933 3.735 646 HH TYR 81 HH TYR 81 7.634 13.981 4.408 647 HB2 TYR 81 1HB TYR 81 3.651 12.559 -0.401 648 HB3 TYR 81 2HB TYR 81 5.099 12.056 -1.271 649 H THR 82 H THR 82 4.522 12.070 -3.550 650 HA THR 82 HA THR 82 1.682 12.056 -4.279 651 HB THR 82 HB THR 82 2.429 11.866 -6.804 652 HG1 THR 82 HG1 THR 82 4.341 12.888 -7.303 653 HG21 THR 82 3HG2 THR 82 2.540 14.579 -5.441 654 HG22 THR 82 1HG2 THR 82 1.077 13.767 -6.005 655 HG23 THR 82 2HG2 THR 82 2.295 14.302 -7.166 656 HA PRO 83 HA PRO 83 3.293 7.657 -4.231 657 HB2 PRO 83 1HB PRO 83 1.888 6.725 -2.091 658 HB3 PRO 83 2HB PRO 83 3.470 7.498 -1.898 659 HG2 PRO 83 1HG PRO 83 0.720 8.713 -1.560 660 HG3 PRO 83 2HG PRO 83 2.132 8.821 -0.484 661 HD2 PRO 83 1HD PRO 83 1.514 10.806 -2.229 662 HD3 PRO 83 2HD PRO 83 3.192 10.416 -1.804 663 H TYR 84 H TYR 84 2.068 5.990 -5.057 664 HA TYR 84 HA TYR 84 -0.699 6.432 -5.908 665 HD1 TYR 84 HD2 TYR 84 3.101 5.486 -6.843 666 HD2 TYR 84 HD1 TYR 84 -0.534 5.654 -9.093 667 HE1 TYR 84 HE2 TYR 84 4.265 6.673 -8.642 668 HE2 TYR 84 HE1 TYR 84 0.635 6.848 -10.883 669 HH TYR 84 HH TYR 84 4.054 7.090 -10.999 670 HB2 TYR 84 1HB TYR 84 1.123 3.994 -6.296 671 HB3 TYR 84 2HB TYR 84 -0.424 4.273 -7.102 672 H TYR 85 H TYR 85 -2.130 4.324 -5.620 673 HA TYR 85 HA TYR 85 -1.705 2.906 -3.133 674 HD1 TYR 85 HD2 TYR 85 -3.221 6.797 -3.955 675 HD2 TYR 85 HD1 TYR 85 -5.942 3.624 -3.045 676 HE1 TYR 85 HE2 TYR 85 -5.061 8.079 -4.932 677 HE2 TYR 85 HE1 TYR 85 -7.774 4.919 -4.034 678 HH TYR 85 HH TYR 85 -7.278 7.582 -5.971 679 HB2 TYR 85 1HB TYR 85 -3.714 3.703 -1.999 680 HB3 TYR 85 2HB TYR 85 -2.624 5.032 -2.303 681 H LEU 86 H LEU 86 -3.085 1.136 -2.864 682 HA LEU 86 HA LEU 86 -4.320 0.187 -5.370 683 HG LEU 86 HG LEU 86 -2.643 -3.176 -5.033 684 HB2 LEU 86 1HB LEU 86 -2.178 -0.902 -4.668 685 HB3 LEU 86 2HB LEU 86 -2.933 -1.416 -3.179 686 HD11 LEU 86 1HD1 LEU 86 -5.459 -2.865 -3.972 687 HD12 LEU 86 2HD1 LEU 86 -4.111 -3.621 -3.125 688 HD13 LEU 86 3HD1 LEU 86 -4.734 -4.347 -4.604 689 HD21 LEU 86 3HD2 LEU 86 -3.335 -1.792 -6.931 690 HD22 LEU 86 1HD2 LEU 86 -4.983 -1.735 -6.298 691 HD23 LEU 86 2HD2 LEU 86 -4.287 -3.270 -6.822 692 H GLU 87 H GLU 87 -6.407 0.092 -5.254 693 HA GLU 87 HA GLU 87 -7.838 -0.545 -2.758 694 HB2 GLU 87 1HB GLU 87 -8.926 0.393 -5.455 695 HB3 GLU 87 2HB GLU 87 -9.861 0.179 -3.972 696 HG2 GLU 87 1HG GLU 87 -8.473 1.954 -2.887 697 HG3 GLU 87 2HG GLU 87 -7.639 2.203 -4.418 698 H GLY 88 H GLY 88 -7.743 -2.679 -2.481 699 HA2 GLY 88 1HA GLY 88 -9.297 -4.484 -3.994 700 HA3 GLY 88 2HA GLY 88 -7.587 -4.742 -4.364 701 H ASN 89 H ASN 89 -9.362 -6.594 -3.020 702 HA ASN 89 HA ASN 89 -9.010 -6.550 -0.192 703 HB2 ASN 89 1HB ASN 89 -9.681 -8.875 -2.039 704 HB3 ASN 89 2HB ASN 89 -9.753 -8.950 -0.281 705 HD21 ASN 89 2HD2 ASN 89 -11.374 -7.776 0.809 706 HD22 ASN 89 1HD2 ASN 89 -12.797 -7.248 -0.012 707 H VAL 90 H VAL 90 -7.374 -7.266 1.064 708 HA VAL 90 HA VAL 90 -4.822 -7.619 -0.058 709 HB VAL 90 HB VAL 90 -5.203 -6.516 2.121 710 HG11 VAL 90 1HG1 VAL 90 -6.898 -7.992 3.083 711 HG12 VAL 90 2HG1 VAL 90 -5.537 -7.807 4.190 712 HG13 VAL 90 3HG1 VAL 90 -5.711 -9.288 3.242 713 HG21 VAL 90 3HG2 VAL 90 -3.267 -8.851 2.272 714 HG22 VAL 90 1HG2 VAL 90 -3.232 -7.425 3.313 715 HG23 VAL 90 2HG2 VAL 90 -2.940 -7.261 1.581 716 H TYR 91 H TYR 91 -7.150 -9.993 1.089 717 HA TYR 91 HA TYR 91 -5.324 -12.240 1.043 718 HD1 TYR 91 HD2 TYR 91 -8.371 -10.349 2.878 719 HD2 TYR 91 HD1 TYR 91 -6.225 -14.001 3.489 720 HE1 TYR 91 HE2 TYR 91 -8.164 -9.831 5.266 721 HE2 TYR 91 HE1 TYR 91 -6.040 -13.485 5.882 722 HH TYR 91 HH TYR 91 -6.056 -11.437 7.331 723 HB2 TYR 91 1HB TYR 91 -8.374 -12.163 1.139 724 HB3 TYR 91 2HB TYR 91 -7.391 -13.608 1.372 725 H ASP 92 H ASP 92 -7.244 -10.572 -1.294 726 HA ASP 92 HA ASP 92 -7.566 -12.768 -3.141 727 HB2 ASP 92 1HB ASP 92 -8.327 -9.844 -3.196 728 HB3 ASP 92 2HB ASP 92 -8.313 -10.741 -4.711 729 H PHE 93 H PHE 93 -4.992 -10.619 -2.507 730 HA PHE 93 HA PHE 93 -3.915 -10.129 -5.042 731 HD1 PHE 93 HD2 PHE 93 -4.645 -8.352 -4.090 732 HD2 PHE 93 HD1 PHE 93 -1.454 -8.645 -1.294 733 HE1 PHE 93 HE2 PHE 93 -5.215 -6.136 -3.219 734 HE2 PHE 93 HE1 PHE 93 -2.029 -6.439 -0.430 735 HZ PHE 93 HZ PHE 93 -3.902 -5.165 -1.381 736 HB2 PHE 93 1HB PHE 93 -2.369 -10.678 -2.479 737 HB3 PHE 93 2HB PHE 93 -1.713 -9.906 -3.914 738 H GLU 94 H GLU 94 -3.599 -12.940 -2.940 739 HA GLU 94 HA GLU 94 -1.625 -14.368 -4.347 740 HB2 GLU 94 1HB GLU 94 -2.915 -14.676 -1.916 741 HB3 GLU 94 2HB GLU 94 -3.638 -15.994 -2.826 742 HG2 GLU 94 1HG GLU 94 -0.688 -15.555 -2.252 743 HG3 GLU 94 2HG GLU 94 -1.732 -16.799 -1.565 744 H LYS 95 H LYS 95 -5.195 -14.551 -4.497 745 HA LYS 95 HA LYS 95 -5.202 -16.643 -6.499 746 HB2 LYS 95 1HB LYS 95 -7.680 -16.367 -6.469 747 HB3 LYS 95 2HB LYS 95 -6.995 -16.647 -4.874 748 HG2 LYS 95 1HG LYS 95 -7.111 -14.173 -4.465 749 HG3 LYS 95 2HG LYS 95 -7.970 -14.008 -5.992 750 HD2 LYS 95 1HD LYS 95 -8.978 -15.767 -3.719 751 HD3 LYS 95 2HD LYS 95 -9.399 -14.062 -3.866 752 HE2 LYS 95 1HE LYS 95 -11.209 -15.332 -4.790 753 HE3 LYS 95 2HE LYS 95 -10.366 -14.568 -6.134 754 HZ1 LYS 95 3HZ LYS 95 -9.324 -16.645 -6.656 755 HZ2 LYS 95 1HZ LYS 95 -10.988 -16.898 -6.534 756 HZ3 LYS 95 2HZ LYS 95 -9.970 -17.380 -5.278 757 H TYR 96 H TYR 96 -5.023 -13.191 -6.610 758 HA TYR 96 HA TYR 96 -5.757 -12.965 -9.414 759 HD1 TYR 96 HD2 TYR 96 -7.239 -11.752 -6.730 760 HD2 TYR 96 HD1 TYR 96 -6.077 -9.308 -10.036 761 HE1 TYR 96 HE2 TYR 96 -9.476 -10.752 -6.776 762 HE2 TYR 96 HE1 TYR 96 -8.322 -8.319 -10.089 763 HH TYR 96 HH TYR 96 -10.614 -8.878 -9.362 764 HB2 TYR 96 1HB TYR 96 -4.671 -11.071 -7.333 765 HB3 TYR 96 2HB TYR 96 -4.435 -10.649 -9.022 766 H GLY 97 H GLY 97 -2.926 -13.869 -7.609 767 HA2 GLY 97 1HA GLY 97 -1.491 -15.382 -8.987 768 HA3 GLY 97 2HA GLY 97 -1.394 -14.087 -10.171 769 H PHE 98 H PHE 98 -1.338 -12.470 -7.387 770 HA PHE 98 HA PHE 98 1.560 -12.091 -7.423 771 HD1 PHE 98 HD2 PHE 98 1.720 -9.461 -8.516 772 HD2 PHE 98 HD1 PHE 98 -2.340 -10.120 -7.314 773 HE1 PHE 98 HE2 PHE 98 0.926 -8.251 -10.508 774 HE2 PHE 98 HE1 PHE 98 -3.118 -8.916 -9.313 775 HZ PHE 98 HZ PHE 98 -1.489 -7.979 -10.907 776 HB2 PHE 98 1HB PHE 98 -0.565 -10.630 -5.786 777 HB3 PHE 98 2HB PHE 98 1.082 -10.089 -6.107 778 H ARG 99 H ARG 99 2.740 -13.428 -6.114 779 HA ARG 99 HA ARG 99 1.606 -15.060 -4.107 780 HE ARG 99 HE ARG 99 7.210 -12.984 -4.035 781 HB2 ARG 99 1HB ARG 99 3.716 -16.018 -3.750 782 HB3 ARG 99 2HB ARG 99 3.819 -15.487 -5.416 783 HG2 ARG 99 1HG ARG 99 5.057 -14.082 -3.019 784 HG3 ARG 99 2HG ARG 99 5.918 -15.073 -4.194 785 HD2 ARG 99 1HD ARG 99 5.127 -13.423 -5.957 786 HD3 ARG 99 2HD ARG 99 4.600 -12.391 -4.630 787 HH11 ARG 99 1HH1 ARG 99 5.677 -11.479 -6.807 788 HH12 ARG 99 2HH1 ARG 99 7.019 -10.422 -7.116 789 HH21 ARG 99 1HH2 ARG 99 8.938 -11.564 -4.432 790 HH22 ARG 99 2HH2 ARG 99 8.846 -10.460 -5.769 791 H MET 100 H MET 100 2.190 -15.130 -1.861 792 HA MET 100 HA MET 100 2.535 -12.529 -0.534 793 HB2 MET 100 1HB MET 100 0.107 -14.308 -0.002 794 HB3 MET 100 2HB MET 100 0.481 -12.785 0.790 795 HG2 MET 100 1HG MET 100 0.279 -11.739 -1.576 796 HG3 MET 100 2HG MET 100 -0.507 -13.252 -2.019 797 HE1 MET 100 3HE MET 100 -0.654 -11.271 1.395 798 HE2 MET 100 1HE MET 100 -2.079 -10.273 1.107 799 HE3 MET 100 2HE MET 100 -0.628 -10.033 0.133 800 H VAL 101 H VAL 101 3.230 -12.692 1.587 801 HA VAL 101 HA VAL 101 4.280 -15.300 2.420 802 HB VAL 101 HB VAL 101 4.791 -12.631 3.803 803 HG11 VAL 101 1HG1 VAL 101 6.846 -13.745 4.597 804 HG12 VAL 101 2HG1 VAL 101 6.392 -15.217 3.735 805 HG13 VAL 101 3HG1 VAL 101 5.404 -14.638 5.078 806 HG21 VAL 101 3HG2 VAL 101 6.854 -12.383 2.476 807 HG22 VAL 101 1HG2 VAL 101 5.424 -12.343 1.439 808 HG23 VAL 101 2HG2 VAL 101 6.421 -13.798 1.512 809 H TYR 102 H TYR 102 3.097 -16.473 3.787 810 HA TYR 102 HA TYR 102 1.082 -15.213 5.561 811 HD1 TYR 102 HD1 TYR 102 -1.753 -16.049 4.984 812 HD2 TYR 102 HD2 TYR 102 1.092 -17.387 2.090 813 HE1 TYR 102 HE1 TYR 102 -3.234 -15.311 3.187 814 HE2 TYR 102 HE2 TYR 102 -0.406 -16.650 0.285 815 HH TYR 102 HH TYR 102 -2.826 -16.197 -0.034 816 HB2 TYR 102 1HB TYR 102 1.305 -18.057 4.468 817 HB3 TYR 102 2HB TYR 102 0.098 -17.553 5.648 818 H ASP 103 H ASP 103 1.047 -15.674 7.741 819 HA ASP 103 HA ASP 103 1.749 -16.174 9.831 820 HB2 ASP 103 1HB ASP 103 2.964 -18.646 8.515 821 HB3 ASP 103 2HB ASP 103 2.647 -18.452 10.237 822 H ASP 104 H ASP 104 3.355 -14.485 8.252 823 HA ASP 104 HA ASP 104 6.127 -15.064 8.228 824 HB2 ASP 104 1HB ASP 104 5.065 -13.461 6.694 825 HB3 ASP 104 2HB ASP 104 4.596 -12.430 8.039 826 H THR 105 H THR 105 4.077 -13.145 10.313 827 HA THR 105 HA THR 105 4.236 -12.068 12.206 828 HB THR 105 HB THR 105 5.204 -13.162 14.159 829 HG1 THR 105 HG1 THR 105 6.359 -15.006 12.293 830 HG21 THR 105 3HG2 THR 105 3.027 -13.954 13.340 831 HG22 THR 105 1HG2 THR 105 3.947 -15.295 14.027 832 HG23 THR 105 2HG2 THR 105 3.825 -15.115 12.277 833 H CYS 106 H CYS 106 7.666 -13.093 12.220 834 HA CYS 106 HA CYS 106 8.455 -10.228 12.409 835 HG CYS 106 HG CYS 106 11.705 -10.599 13.478 836 HB2 CYS 106 1HB CYS 106 8.605 -11.552 14.570 837 HB3 CYS 106 2HB CYS 106 9.788 -12.600 13.793 838 H ASP 107 H ASP 107 8.230 -12.044 10.055 839 HA ASP 107 HA ASP 107 9.283 -12.850 8.248 840 HB2 ASP 107 1HB ASP 107 10.403 -10.708 7.978 841 HB3 ASP 107 2HB ASP 107 11.598 -11.109 9.207 842 H LYS 108 H LYS 108 10.731 -14.579 7.547 843 HA LYS 108 HA LYS 108 11.892 -16.516 7.745 844 HB2 LYS 108 1HB LYS 108 13.581 -15.046 8.930 845 HB3 LYS 108 2HB LYS 108 12.810 -15.435 10.456 846 HG2 LYS 108 1HG LYS 108 13.455 -17.826 10.131 847 HG3 LYS 108 2HG LYS 108 14.306 -17.368 8.650 848 HD2 LYS 108 1HD LYS 108 14.922 -16.362 11.463 849 HD3 LYS 108 2HD LYS 108 15.881 -17.528 10.549 850 HE2 LYS 108 1HE LYS 108 16.440 -15.811 8.888 851 HE3 LYS 108 2HE LYS 108 15.398 -14.644 9.698 852 HZ1 LYS 108 3HZ LYS 108 16.851 -14.709 11.610 853 HZ2 LYS 108 1HZ LYS 108 17.733 -14.313 10.220 854 HZ3 LYS 108 2HZ LYS 108 17.830 -15.871 10.870 855 H LYS 109 H LYS 109 9.216 -16.271 8.377 856 HA LYS 109 HA LYS 109 7.444 -17.539 8.955 857 HB2 LYS 109 1HB LYS 109 9.521 -19.562 9.906 858 HB3 LYS 109 2HB LYS 109 7.822 -19.905 9.600 859 HG2 LYS 109 1HG LYS 109 8.087 -19.617 7.233 860 HG3 LYS 109 2HG LYS 109 9.697 -18.914 7.434 861 HD2 LYS 109 1HD LYS 109 10.529 -21.076 8.308 862 HD3 LYS 109 2HD LYS 109 8.928 -21.785 8.080 863 HE2 LYS 109 1HE LYS 109 9.119 -21.406 5.647 864 HE3 LYS 109 2HE LYS 109 10.709 -20.683 5.885 865 HZ1 LYS 109 3HZ LYS 109 10.865 -22.983 5.179 866 HZ2 LYS 109 1HZ LYS 109 9.981 -23.487 6.530 867 HZ3 LYS 109 2HZ LYS 109 11.509 -22.792 6.732 868 H ASN 110 H ASN 110 7.121 -19.271 11.290 869 HA ASN 110 HA ASN 110 7.715 -17.478 13.563 870 HB2 ASN 110 1HB ASN 110 5.486 -17.875 14.519 871 HB3 ASN 110 2HB ASN 110 5.351 -17.135 12.929 872 HD21 ASN 110 2HD2 ASN 110 4.639 -18.447 11.175 873 HD22 ASN 110 1HD2 ASN 110 3.707 -19.874 11.452 Start of MODEL 18 1 HA MET 1 HA MET 1 -7.067 15.004 -6.958 2 H1 MET 1 1H MET 1 -4.567 16.334 -7.772 3 H2 MET 1 2H MET 1 -5.106 16.099 -6.189 4 H3 MET 1 3H MET 1 -5.966 17.112 -7.231 5 HB2 MET 1 1HB MET 1 -5.876 15.523 -9.712 6 HB3 MET 1 2HB MET 1 -7.169 14.370 -9.423 7 HG2 MET 1 1HG MET 1 -8.625 16.186 -8.642 8 HG3 MET 1 2HG MET 1 -7.330 17.350 -8.921 9 HE1 MET 1 3HE MET 1 -9.347 14.956 -12.353 10 HE2 MET 1 1HE MET 1 -9.771 14.736 -10.657 11 HE3 MET 1 2HE MET 1 -8.191 14.215 -11.244 12 H LEU 2 H LEU 2 -6.103 13.408 -5.677 13 HA LEU 2 HA LEU 2 -3.972 11.752 -6.806 14 HG LEU 2 HG LEU 2 -6.216 10.107 -4.380 15 HB2 LEU 2 1HB LEU 2 -3.724 10.717 -4.756 16 HB3 LEU 2 2HB LEU 2 -4.164 12.352 -4.308 17 HD11 LEU 2 1HD1 LEU 2 -4.454 9.381 -2.878 18 HD12 LEU 2 2HD1 LEU 2 -5.885 9.837 -1.957 19 HD13 LEU 2 3HD1 LEU 2 -4.498 10.929 -2.027 20 HD21 LEU 2 3HD2 LEU 2 -7.470 11.534 -2.835 21 HD22 LEU 2 1HD2 LEU 2 -7.142 12.379 -4.348 22 HD23 LEU 2 2HD2 LEU 2 -6.197 12.756 -2.904 23 H GLU 3 H GLU 3 -7.282 11.866 -7.129 24 HA GLU 3 HA GLU 3 -8.149 9.216 -6.984 25 HB2 GLU 3 1HB GLU 3 -9.898 9.982 -8.766 26 HB3 GLU 3 2HB GLU 3 -9.912 10.723 -7.180 27 HG2 GLU 3 1HG GLU 3 -8.280 12.164 -9.208 28 HG3 GLU 3 2HG GLU 3 -10.010 12.111 -9.534 29 H ASP 4 H ASP 4 -6.314 10.832 -9.447 30 HA ASP 4 HA ASP 4 -6.500 8.982 -11.587 31 HB2 ASP 4 1HB ASP 4 -4.190 10.850 -10.867 32 HB3 ASP 4 2HB ASP 4 -4.492 10.130 -12.447 33 H TYR 5 H TYR 5 -4.619 9.022 -8.663 34 HA TYR 5 HA TYR 5 -2.680 6.995 -9.414 35 HD1 TYR 5 HD1 TYR 5 -3.346 10.413 -8.588 36 HD2 TYR 5 HD2 TYR 5 0.206 8.323 -7.443 37 HE1 TYR 5 HE1 TYR 5 -1.990 12.330 -9.289 38 HE2 TYR 5 HE2 TYR 5 1.558 10.252 -8.146 39 HH TYR 5 HH TYR 5 1.410 12.207 -9.588 40 HB2 TYR 5 1HB TYR 5 -3.221 8.379 -6.745 41 HB3 TYR 5 2HB TYR 5 -1.880 7.279 -7.049 42 H ALA 6 H ALA 6 -5.894 6.807 -8.575 43 HA ALA 6 HA ALA 6 -5.931 4.585 -6.772 44 HB1 ALA 6 3HB ALA 6 -7.880 6.085 -7.036 45 HB2 ALA 6 1HB ALA 6 -8.319 4.400 -7.330 46 HB3 ALA 6 2HB ALA 6 -8.104 5.512 -8.688 47 H ILE 7 H ILE 7 -4.807 2.834 -7.407 48 HA ILE 7 HA ILE 7 -5.161 1.689 -10.099 49 HB ILE 7 HB ILE 7 -3.183 0.843 -7.925 50 HG12 ILE 7 1HG1 ILE 7 -2.792 2.736 -10.303 51 HG13 ILE 7 2HG1 ILE 7 -2.686 3.157 -8.603 52 HG21 ILE 7 1HG2 ILE 7 -3.259 0.147 -10.892 53 HG22 ILE 7 2HG2 ILE 7 -3.666 -0.940 -9.564 54 HG23 ILE 7 3HG2 ILE 7 -2.014 -0.356 -9.742 55 HD11 ILE 7 3HD1 ILE 7 -0.677 1.713 -8.424 56 HD12 ILE 7 1HD1 ILE 7 -0.497 3.062 -9.544 57 HD13 ILE 7 2HD1 ILE 7 -0.771 1.435 -10.163 58 H SER 8 H SER 8 -6.159 -0.267 -10.397 59 HA SER 8 HA SER 8 -7.643 -1.414 -8.113 60 HG SER 8 HG SER 8 -8.538 0.407 -10.233 61 HB2 SER 8 1HB SER 8 -8.076 -1.692 -11.117 62 HB3 SER 8 2HB SER 8 -9.121 -2.353 -9.861 63 H LEU 9 H LEU 9 -7.681 -3.684 -7.756 64 HA LEU 9 HA LEU 9 -5.241 -5.075 -7.991 65 HG LEU 9 HG LEU 9 -6.925 -8.072 -7.843 66 HB2 LEU 9 1HB LEU 9 -6.721 -5.540 -6.158 67 HB3 LEU 9 2HB LEU 9 -8.039 -5.968 -7.232 68 HD11 LEU 9 1HD1 LEU 9 -4.659 -7.225 -6.015 69 HD12 LEU 9 2HD1 LEU 9 -4.581 -7.421 -7.768 70 HD13 LEU 9 3HD1 LEU 9 -4.848 -8.826 -6.739 71 HD21 LEU 9 3HD2 LEU 9 -7.003 -7.687 -4.832 72 HD22 LEU 9 1HD2 LEU 9 -7.061 -9.233 -5.684 73 HD23 LEU 9 2HD2 LEU 9 -8.380 -8.081 -5.866 74 H GLU 10 H GLU 10 -8.098 -5.136 -9.984 75 HA GLU 10 HA GLU 10 -7.642 -7.469 -11.518 76 HB2 GLU 10 1HB GLU 10 -9.344 -6.478 -13.042 77 HB3 GLU 10 2HB GLU 10 -9.825 -6.406 -11.351 78 HG2 GLU 10 1HG GLU 10 -8.906 -3.994 -11.360 79 HG3 GLU 10 2HG GLU 10 -8.873 -4.140 -13.114 80 H GLU 11 H GLU 11 -5.887 -4.541 -11.569 81 HA GLU 11 HA GLU 11 -4.715 -5.081 -14.225 82 HB2 GLU 11 1HB GLU 11 -4.911 -2.688 -14.839 83 HB3 GLU 11 2HB GLU 11 -6.494 -3.418 -14.590 84 HG2 GLU 11 1HG GLU 11 -6.522 -2.425 -12.272 85 HG3 GLU 11 2HG GLU 11 -5.023 -1.587 -12.662 86 H VAL 12 H VAL 12 -4.036 -4.830 -11.057 87 HA VAL 12 HA VAL 12 -1.893 -2.874 -11.057 88 HB VAL 12 HB VAL 12 -3.300 -3.349 -9.024 89 HG11 VAL 12 1HG1 VAL 12 -3.438 -5.793 -9.159 90 HG12 VAL 12 2HG1 VAL 12 -2.816 -5.281 -7.592 91 HG13 VAL 12 3HG1 VAL 12 -1.713 -5.930 -8.808 92 HG21 VAL 12 3HG2 VAL 12 -0.298 -3.667 -8.623 93 HG22 VAL 12 1HG2 VAL 12 -1.453 -3.185 -7.375 94 HG23 VAL 12 2HG2 VAL 12 -1.182 -2.146 -8.774 95 H ASN 13 H ASN 13 0.320 -3.304 -10.732 96 HA ASN 13 HA ASN 13 1.344 -6.063 -11.016 97 HB2 ASN 13 1HB ASN 13 2.488 -3.603 -12.440 98 HB3 ASN 13 2HB ASN 13 3.167 -5.226 -12.488 99 HD21 ASN 13 2HD2 ASN 13 0.545 -3.170 -13.618 100 HD22 ASN 13 1HD2 ASN 13 0.017 -4.217 -14.886 101 H PHE 14 H PHE 14 1.670 -6.053 -8.725 102 HA PHE 14 HA PHE 14 2.647 -3.925 -7.182 103 HD1 PHE 14 HD1 PHE 14 1.302 -3.854 -5.110 104 HD2 PHE 14 HD2 PHE 14 0.664 -7.814 -6.581 105 HE1 PHE 14 HE1 PHE 14 -1.045 -3.746 -4.398 106 HE2 PHE 14 HE2 PHE 14 -1.686 -7.694 -5.869 107 HZ PHE 14 HZ PHE 14 -2.543 -5.660 -4.778 108 HB2 PHE 14 1HB PHE 14 2.842 -6.916 -6.644 109 HB3 PHE 14 2HB PHE 14 3.223 -5.681 -5.449 110 H ASN 15 H ASN 15 4.397 -6.437 -8.869 111 HA ASN 15 HA ASN 15 7.007 -6.096 -7.937 112 HB2 ASN 15 1HB ASN 15 7.685 -7.187 -10.072 113 HB3 ASN 15 2HB ASN 15 6.314 -7.998 -9.327 114 HD21 ASN 15 2HD2 ASN 15 7.370 -6.061 -12.036 115 HD22 ASN 15 1HD2 ASN 15 5.939 -6.249 -12.987 116 H ASP 16 H ASP 16 5.153 -4.130 -10.113 117 HA ASP 16 HA ASP 16 7.294 -2.807 -11.483 118 HB2 ASP 16 1HB ASP 16 4.985 -3.140 -12.429 119 HB3 ASP 16 2HB ASP 16 4.359 -2.018 -11.235 120 H PHE 17 H PHE 17 5.482 -2.195 -8.521 121 HA PHE 17 HA PHE 17 6.688 0.514 -8.237 122 HD1 PHE 17 HD1 PHE 17 4.278 1.923 -9.525 123 HD2 PHE 17 HD2 PHE 17 2.736 -1.652 -7.801 124 HE1 PHE 17 HE1 PHE 17 2.627 1.785 -11.322 125 HE2 PHE 17 HE2 PHE 17 1.073 -1.796 -9.607 126 HZ PHE 17 HZ PHE 17 1.019 -0.089 -11.380 127 HB2 PHE 17 1HB PHE 17 4.297 -0.295 -6.566 128 HB3 PHE 17 2HB PHE 17 4.769 1.291 -7.132 129 H ILE 18 H ILE 18 7.501 1.090 -6.147 130 HA ILE 18 HA ILE 18 8.356 -0.966 -4.305 131 HB ILE 18 HB ILE 18 8.319 2.070 -3.925 132 HG12 ILE 18 1HG1 ILE 18 10.641 0.319 -4.884 133 HG13 ILE 18 2HG1 ILE 18 9.679 1.365 -5.923 134 HG21 ILE 18 1HG2 ILE 18 9.886 -0.056 -2.401 135 HG22 ILE 18 2HG2 ILE 18 8.505 0.854 -1.785 136 HG23 ILE 18 3HG2 ILE 18 10.015 1.689 -2.154 137 HD11 ILE 18 3HD1 ILE 18 11.805 2.378 -5.387 138 HD12 ILE 18 1HD1 ILE 18 11.463 2.262 -3.661 139 HD13 ILE 18 2HD1 ILE 18 10.490 3.322 -4.687 140 H VAL 19 H VAL 19 6.804 -1.963 -2.983 141 HA VAL 19 HA VAL 19 4.237 -0.531 -2.690 142 HB VAL 19 HB VAL 19 4.836 -3.455 -2.033 143 HG11 VAL 19 1HG1 VAL 19 2.781 -2.621 -0.990 144 HG12 VAL 19 2HG1 VAL 19 2.396 -3.776 -2.265 145 HG13 VAL 19 3HG1 VAL 19 2.193 -2.043 -2.551 146 HG21 VAL 19 3HG2 VAL 19 3.880 -4.032 -4.238 147 HG22 VAL 19 1HG2 VAL 19 5.336 -3.050 -4.407 148 HG23 VAL 19 2HG2 VAL 19 3.749 -2.316 -4.638 149 H VAL 20 H VAL 20 3.285 -0.133 -0.733 150 HA VAL 20 HA VAL 20 4.683 -0.797 1.788 151 HB VAL 20 HB VAL 20 3.152 1.796 1.178 152 HG11 VAL 20 1HG1 VAL 20 3.776 2.529 3.461 153 HG12 VAL 20 2HG1 VAL 20 4.489 0.947 3.784 154 HG13 VAL 20 3HG1 VAL 20 2.754 1.093 3.502 155 HG21 VAL 20 3HG2 VAL 20 5.299 2.952 1.513 156 HG22 VAL 20 1HG2 VAL 20 5.417 1.785 0.197 157 HG23 VAL 20 2HG2 VAL 20 6.115 1.408 1.772 158 H ASP 21 H ASP 21 3.380 -1.895 3.186 159 HA ASP 21 HA ASP 21 0.509 -2.140 2.645 160 HB2 ASP 21 1HB ASP 21 2.203 -4.068 3.426 161 HB3 ASP 21 2HB ASP 21 1.864 -3.444 5.036 162 H VAL 22 H VAL 22 -0.635 -0.413 3.376 163 HA VAL 22 HA VAL 22 0.182 0.988 5.848 164 HB VAL 22 HB VAL 22 -1.544 2.749 5.094 165 HG11 VAL 22 1HG1 VAL 22 0.870 2.251 3.294 166 HG12 VAL 22 2HG1 VAL 22 0.885 3.097 4.841 167 HG13 VAL 22 3HG1 VAL 22 0.022 3.793 3.470 168 HG21 VAL 22 3HG2 VAL 22 -2.204 2.766 2.718 169 HG22 VAL 22 1HG2 VAL 22 -2.784 1.285 3.492 170 HG23 VAL 22 2HG2 VAL 22 -1.361 1.237 2.445 171 H ARG 23 H ARG 23 -0.563 -0.657 7.266 172 HA ARG 23 HA ARG 23 -3.385 -0.327 7.969 173 HE ARG 23 HE ARG 23 -2.366 -4.372 5.481 174 HB2 ARG 23 1HB ARG 23 -2.223 -3.061 7.346 175 HB3 ARG 23 2HB ARG 23 -3.699 -2.833 8.272 176 HG2 ARG 23 1HG ARG 23 -4.766 -1.782 6.293 177 HG3 ARG 23 2HG ARG 23 -3.279 -2.032 5.367 178 HD2 ARG 23 1HD ARG 23 -4.955 -4.238 6.624 179 HD3 ARG 23 2HD ARG 23 -5.008 -3.764 4.931 180 HH11 ARG 23 1HH1 ARG 23 -5.361 -6.177 5.704 181 HH12 ARG 23 2HH1 ARG 23 -4.627 -7.673 5.242 182 HH21 ARG 23 1HH2 ARG 23 -1.413 -6.317 4.874 183 HH22 ARG 23 2HH2 ARG 23 -2.379 -7.759 4.749 184 H GLU 24 H GLU 24 -0.898 -2.780 9.047 185 HA GLU 24 HA GLU 24 -0.411 -1.597 11.590 186 HB2 GLU 24 1HB GLU 24 -2.931 -2.150 11.711 187 HB3 GLU 24 2HB GLU 24 -2.471 -3.838 11.733 188 HG2 GLU 24 1HG GLU 24 -1.265 -3.522 13.840 189 HG3 GLU 24 2HG GLU 24 -1.607 -1.795 13.798 190 H LEU 25 H LEU 25 0.664 -3.096 13.154 191 HA LEU 25 HA LEU 25 2.475 -4.940 12.112 192 HG LEU 25 HG LEU 25 2.518 -6.921 14.668 193 HB2 LEU 25 1HB LEU 25 2.798 -3.906 14.306 194 HB3 LEU 25 2HB LEU 25 1.369 -4.709 14.933 195 HD11 LEU 25 1HD1 LEU 25 4.954 -5.280 13.905 196 HD12 LEU 25 2HD1 LEU 25 4.067 -6.396 12.863 197 HD13 LEU 25 3HD1 LEU 25 4.943 -7.011 14.260 198 HD21 LEU 25 3HD2 LEU 25 4.053 -6.687 16.578 199 HD22 LEU 25 1HD2 LEU 25 2.564 -5.783 16.850 200 HD23 LEU 25 2HD2 LEU 25 4.041 -4.932 16.391 201 H ASP 26 H ASP 26 -0.734 -5.493 13.559 202 HA ASP 26 HA ASP 26 -0.712 -8.247 13.915 203 HB2 ASP 26 1HB ASP 26 -2.439 -6.749 14.822 204 HB3 ASP 26 2HB ASP 26 -3.061 -6.453 13.210 205 H GLU 27 H GLU 27 -1.606 -6.430 10.978 206 HA GLU 27 HA GLU 27 -2.460 -8.756 9.522 207 HB2 GLU 27 1HB GLU 27 -2.547 -7.213 7.549 208 HB3 GLU 27 2HB GLU 27 -3.488 -6.694 8.935 209 HG2 GLU 27 1HG GLU 27 -2.571 -4.724 8.251 210 HG3 GLU 27 2HG GLU 27 -1.459 -5.214 9.513 211 H TYR 28 H TYR 28 0.547 -6.814 9.634 212 HA TYR 28 HA TYR 28 2.042 -8.075 7.656 213 HD1 TYR 28 HD2 TYR 28 4.882 -6.807 7.255 214 HD2 TYR 28 HD1 TYR 28 4.555 -8.610 11.118 215 HE1 TYR 28 HE2 TYR 28 7.191 -7.623 7.078 216 HE2 TYR 28 HE1 TYR 28 6.847 -9.421 10.941 217 HH TYR 28 HH TYR 28 8.488 -9.954 9.233 218 HB2 TYR 28 1HB TYR 28 3.008 -6.201 8.809 219 HB3 TYR 28 2HB TYR 28 2.870 -6.981 10.377 220 H GLU 29 H GLU 29 1.273 -9.194 10.887 221 HA GLU 29 HA GLU 29 2.985 -11.448 11.015 222 HB2 GLU 29 1HB GLU 29 0.332 -11.181 12.496 223 HB3 GLU 29 2HB GLU 29 1.745 -12.082 12.992 224 HG2 GLU 29 1HG GLU 29 1.809 -9.086 12.751 225 HG3 GLU 29 2HG GLU 29 1.215 -9.873 14.199 226 H GLU 30 H GLU 30 -0.529 -11.176 10.222 227 HA GLU 30 HA GLU 30 -0.737 -14.035 9.790 228 HB2 GLU 30 1HB GLU 30 -3.122 -13.593 9.265 229 HB3 GLU 30 2HB GLU 30 -2.605 -12.964 10.826 230 HG2 GLU 30 1HG GLU 30 -2.559 -10.705 9.979 231 HG3 GLU 30 2HG GLU 30 -2.865 -11.261 8.334 232 H LEU 31 H LEU 31 -0.868 -11.204 7.587 233 HA LEU 31 HA LEU 31 0.358 -12.572 5.482 234 HG LEU 31 HG LEU 31 -3.797 -12.877 4.354 235 HB2 LEU 31 1HB LEU 31 -1.265 -12.938 3.815 236 HB3 LEU 31 2HB LEU 31 -1.855 -13.706 5.266 237 HD11 LEU 31 1HD1 LEU 31 -3.042 -10.546 6.106 238 HD12 LEU 31 2HD1 LEU 31 -3.729 -12.083 6.636 239 HD13 LEU 31 3HD1 LEU 31 -4.674 -11.006 5.610 240 HD21 LEU 31 3HD2 LEU 31 -2.860 -11.691 2.461 241 HD22 LEU 31 1HD2 LEU 31 -2.480 -10.302 3.486 242 HD23 LEU 31 2HD2 LEU 31 -4.161 -10.766 3.202 243 H HIS 32 H HIS 32 1.085 -11.280 3.918 244 HA HIS 32 HA HIS 32 0.184 -8.631 3.333 245 HD1 HIS 32 HD1 HIS 32 2.834 -10.620 6.015 246 HD2 HIS 32 HD2 HIS 32 4.695 -7.388 4.172 247 HE1 HIS 32 HE1 HIS 32 5.308 -11.073 6.150 248 HE2 HIS 32 HE2 HIS 32 6.401 -9.027 5.200 249 HB2 HIS 32 1HB HIS 32 1.984 -7.310 4.287 250 HB3 HIS 32 2HB HIS 32 1.333 -8.277 5.607 251 H LEU 33 H LEU 33 1.845 -7.582 1.777 252 HA LEU 33 HA LEU 33 2.879 -9.588 -0.051 253 HG LEU 33 HG LEU 33 0.666 -7.581 -0.551 254 HB2 LEU 33 1HB LEU 33 2.925 -6.558 -0.127 255 HB3 LEU 33 2HB LEU 33 3.588 -7.559 -1.404 256 HD11 LEU 33 1HD1 LEU 33 1.248 -5.415 -1.520 257 HD12 LEU 33 2HD1 LEU 33 0.196 -6.329 -2.596 258 HD13 LEU 33 3HD1 LEU 33 1.925 -6.215 -2.942 259 HD21 LEU 33 3HD2 LEU 33 2.023 -8.847 -2.957 260 HD22 LEU 33 1HD2 LEU 33 0.285 -8.825 -2.643 261 HD23 LEU 33 2HD2 LEU 33 1.362 -9.703 -1.563 262 HA PRO 34 HA PRO 34 7.063 -9.862 1.524 263 HB2 PRO 34 1HB PRO 34 8.076 -9.998 -1.291 264 HB3 PRO 34 2HB PRO 34 8.148 -11.240 -0.028 265 HG2 PRO 34 1HG PRO 34 6.515 -11.408 -2.183 266 HG3 PRO 34 2HG PRO 34 6.113 -12.144 -0.624 267 HD2 PRO 34 1HD PRO 34 5.041 -9.650 -1.896 268 HD3 PRO 34 2HD PRO 34 4.229 -10.821 -0.835 269 H ASN 35 H ASN 35 6.495 -7.891 -1.286 270 HA ASN 35 HA ASN 35 8.755 -6.078 -0.869 271 HB2 ASN 35 1HB ASN 35 8.157 -5.299 -3.154 272 HB3 ASN 35 2HB ASN 35 8.388 -7.039 -3.108 273 HD21 ASN 35 2HD2 ASN 35 6.881 -5.384 -5.013 274 HD22 ASN 35 1HD2 ASN 35 5.275 -6.013 -5.011 275 H ALA 36 H ALA 36 5.947 -6.199 0.595 276 HA ALA 36 HA ALA 36 5.234 -3.355 0.405 277 HB1 ALA 36 3HB ALA 36 3.362 -4.931 0.398 278 HB2 ALA 36 1HB ALA 36 3.307 -3.912 1.837 279 HB3 ALA 36 2HB ALA 36 3.873 -5.583 1.953 280 H THR 37 H THR 37 6.040 -1.945 1.792 281 HA THR 37 HA THR 37 7.684 -2.621 4.050 282 HB THR 37 HB THR 37 6.604 0.075 3.088 283 HG1 THR 37 HG1 THR 37 7.902 -0.925 1.524 284 HG21 THR 37 3HG2 THR 37 8.939 -0.511 4.962 285 HG22 THR 37 1HG2 THR 37 7.401 0.234 5.425 286 HG23 THR 37 2HG2 THR 37 8.498 1.075 4.331 287 H LEU 38 H LEU 38 7.003 -2.868 6.150 288 HA LEU 38 HA LEU 38 4.238 -2.639 6.874 289 HG LEU 38 HG LEU 38 4.997 -2.275 10.089 290 HB2 LEU 38 1HB LEU 38 5.579 -4.362 7.936 291 HB3 LEU 38 2HB LEU 38 6.715 -3.171 8.550 292 HD11 LEU 38 1HD1 LEU 38 3.148 -4.404 8.976 293 HD12 LEU 38 2HD1 LEU 38 2.979 -2.658 8.783 294 HD13 LEU 38 3HD1 LEU 38 2.818 -3.385 10.379 295 HD21 LEU 38 3HD2 LEU 38 6.433 -4.090 10.914 296 HD22 LEU 38 1HD2 LEU 38 5.273 -5.291 10.339 297 HD23 LEU 38 2HD2 LEU 38 4.829 -4.179 11.635 298 H ILE 39 H ILE 39 3.456 -0.631 6.813 299 HA ILE 39 HA ILE 39 4.297 1.238 8.938 300 HB ILE 39 HB ILE 39 3.591 2.081 6.075 301 HG12 ILE 39 1HG1 ILE 39 6.167 2.551 7.656 302 HG13 ILE 39 2HG1 ILE 39 5.965 1.348 6.395 303 HG21 ILE 39 1HG2 ILE 39 2.529 3.625 7.675 304 HG22 ILE 39 2HG2 ILE 39 3.845 4.430 6.827 305 HG23 ILE 39 3HG2 ILE 39 4.075 3.883 8.488 306 HD11 ILE 39 3HD1 ILE 39 5.599 3.152 4.762 307 HD12 ILE 39 1HD1 ILE 39 7.165 3.260 5.566 308 HD13 ILE 39 2HD1 ILE 39 5.855 4.334 6.047 309 H SER 40 H SER 40 2.523 1.939 10.099 310 HA SER 40 HA SER 40 -0.115 0.921 9.361 311 HG SER 40 HG SER 40 -1.563 1.017 11.748 312 HB2 SER 40 1HB SER 40 0.563 0.844 11.740 313 HB3 SER 40 2HB SER 40 0.728 2.601 11.762 314 H VAL 41 H VAL 41 -1.832 2.173 8.687 315 HA VAL 41 HA VAL 41 -1.546 4.370 7.079 316 HB VAL 41 HB VAL 41 -3.534 2.960 7.037 317 HG11 VAL 41 1HG1 VAL 41 -5.297 3.059 8.753 318 HG12 VAL 41 2HG1 VAL 41 -4.324 4.171 9.716 319 HG13 VAL 41 3HG1 VAL 41 -3.768 2.519 9.445 320 HG21 VAL 41 3HG2 VAL 41 -5.313 4.679 6.781 321 HG22 VAL 41 1HG2 VAL 41 -3.790 5.209 6.067 322 HG23 VAL 41 2HG2 VAL 41 -4.305 5.856 7.625 323 H ASN 42 H ASN 42 -2.090 4.423 10.604 324 HA ASN 42 HA ASN 42 -2.596 7.273 10.727 325 HB2 ASN 42 1HB ASN 42 -2.865 7.036 13.074 326 HB3 ASN 42 2HB ASN 42 -3.547 5.578 12.379 327 HD21 ASN 42 2HD2 ASN 42 -0.946 4.239 11.990 328 HD22 ASN 42 1HD2 ASN 42 -0.399 3.809 13.563 329 H ASP 43 H ASP 43 0.250 5.372 10.623 330 HA ASP 43 HA ASP 43 2.026 7.196 11.997 331 HB2 ASP 43 1HB ASP 43 2.703 4.908 10.088 332 HB3 ASP 43 2HB ASP 43 3.864 5.783 11.076 333 H GLN 44 H GLN 44 1.334 9.146 10.851 334 HA GLN 44 HA GLN 44 1.815 9.538 8.070 335 HB2 GLN 44 1HB GLN 44 1.333 11.428 10.389 336 HB3 GLN 44 2HB GLN 44 1.920 12.088 8.869 337 HG2 GLN 44 1HG GLN 44 -0.472 12.310 8.944 338 HG3 GLN 44 2HG GLN 44 -0.040 11.140 7.704 339 HE21 GLN 44 2HE2 GLN 44 -0.603 8.977 7.994 340 HE22 GLN 44 1HE2 GLN 44 -1.725 8.471 9.201 341 H GLU 45 H GLU 45 3.755 10.123 10.979 342 HA GLU 45 HA GLU 45 5.882 11.475 9.688 343 HB2 GLU 45 1HB GLU 45 7.149 11.137 11.772 344 HB3 GLU 45 2HB GLU 45 5.521 11.730 12.080 345 HG2 GLU 45 1HG GLU 45 4.816 9.430 12.693 346 HG3 GLU 45 2HG GLU 45 6.463 8.866 12.421 347 H LYS 46 H LYS 46 5.310 8.042 10.321 348 HA LYS 46 HA LYS 46 7.942 7.180 9.487 349 HB2 LYS 46 1HB LYS 46 6.640 5.855 11.112 350 HB3 LYS 46 2HB LYS 46 5.379 5.585 9.923 351 HG2 LYS 46 1HG LYS 46 6.692 3.572 10.166 352 HG3 LYS 46 2HG LYS 46 6.969 4.236 8.563 353 HD2 LYS 46 1HD LYS 46 8.934 5.016 10.702 354 HD3 LYS 46 2HD LYS 46 8.975 3.338 10.171 355 HE2 LYS 46 1HE LYS 46 9.462 3.993 7.898 356 HE3 LYS 46 2HE LYS 46 9.170 5.693 8.263 357 HZ1 LYS 46 3HZ LYS 46 11.400 4.026 9.296 358 HZ2 LYS 46 1HZ LYS 46 11.085 5.619 9.778 359 HZ3 LYS 46 2HZ LYS 46 11.510 5.290 8.177 360 H LEU 47 H LEU 47 4.713 7.346 8.007 361 HA LEU 47 HA LEU 47 5.353 5.994 5.604 362 HG LEU 47 HG LEU 47 3.382 7.527 3.649 363 HB2 LEU 47 1HB LEU 47 3.037 6.406 6.464 364 HB3 LEU 47 2HB LEU 47 3.213 8.098 6.048 365 HD11 LEU 47 1HD1 LEU 47 2.995 4.637 4.510 366 HD12 LEU 47 2HD1 LEU 47 4.458 5.328 3.804 367 HD13 LEU 47 3HD1 LEU 47 2.985 5.234 2.850 368 HD21 LEU 47 3HD2 LEU 47 0.961 6.236 4.956 369 HD22 LEU 47 1HD2 LEU 47 1.072 6.812 3.291 370 HD23 LEU 47 2HD2 LEU 47 1.154 7.961 4.625 371 H ALA 48 H ALA 48 5.009 9.438 6.310 372 HA ALA 48 HA ALA 48 5.920 10.522 3.893 373 HB1 ALA 48 3HB ALA 48 6.159 12.613 5.172 374 HB2 ALA 48 1HB ALA 48 6.016 11.711 6.684 375 HB3 ALA 48 2HB ALA 48 4.651 11.788 5.569 376 H ASP 49 H ASP 49 7.682 9.418 6.776 377 HA ASP 49 HA ASP 49 10.258 10.408 6.161 378 HB2 ASP 49 1HB ASP 49 9.724 9.485 8.372 379 HB3 ASP 49 2HB ASP 49 9.443 7.893 7.679 380 H PHE 50 H PHE 50 8.732 7.261 5.420 381 HA PHE 50 HA PHE 50 10.868 6.109 3.972 382 HD1 PHE 50 HD1 PHE 50 10.882 3.359 3.961 383 HD2 PHE 50 HD2 PHE 50 7.557 4.586 1.561 384 HE1 PHE 50 HE1 PHE 50 11.381 1.576 2.341 385 HE2 PHE 50 HE2 PHE 50 8.067 2.793 -0.047 386 HZ PHE 50 HZ PHE 50 9.981 1.291 0.339 387 HB2 PHE 50 1HB PHE 50 8.948 4.808 4.881 388 HB3 PHE 50 2HB PHE 50 7.869 5.575 3.724 389 H LEU 51 H LEU 51 8.200 8.193 3.020 390 HA LEU 51 HA LEU 51 8.695 8.164 0.191 391 HG LEU 51 HG LEU 51 6.071 8.038 2.105 392 HB2 LEU 51 1HB LEU 51 7.193 10.233 1.850 393 HB3 LEU 51 2HB LEU 51 7.133 10.069 0.102 394 HD11 LEU 51 1HD1 LEU 51 4.556 9.911 0.277 395 HD12 LEU 51 2HD1 LEU 51 4.677 10.028 2.033 396 HD13 LEU 51 3HD1 LEU 51 3.841 8.661 1.301 397 HD21 LEU 51 3HD2 LEU 51 6.871 6.888 0.093 398 HD22 LEU 51 1HD2 LEU 51 5.901 7.958 -0.923 399 HD23 LEU 51 2HD2 LEU 51 5.114 6.836 0.189 400 H SER 52 H SER 52 9.925 10.022 2.893 401 HA SER 52 HA SER 52 11.108 12.153 1.338 402 HG SER 52 HG SER 52 11.786 14.015 3.327 403 HB2 SER 52 1HB SER 52 10.251 12.567 3.613 404 HB3 SER 52 2HB SER 52 11.412 11.423 4.282 405 H GLN 53 H GLN 53 12.192 9.049 2.634 406 HA GLN 53 HA GLN 53 14.995 9.447 2.629 407 HB2 GLN 53 1HB GLN 53 13.422 6.873 2.212 408 HB3 GLN 53 2HB GLN 53 15.160 6.934 2.480 409 HG2 GLN 53 1HG GLN 53 13.025 7.802 4.445 410 HG3 GLN 53 2HG GLN 53 13.945 6.307 4.512 411 HE21 GLN 53 2HE2 GLN 53 13.728 8.432 6.515 412 HE22 GLN 53 1HE2 GLN 53 15.335 8.987 6.807 413 H HIS 54 H HIS 54 12.752 8.400 0.148 414 HA HIS 54 HA HIS 54 14.572 9.226 -1.979 415 HD1 HIS 54 HD1 HIS 54 16.059 7.093 -4.165 416 HD2 HIS 54 HD2 HIS 54 15.672 5.824 -0.229 417 HE1 HIS 54 HE1 HIS 54 18.298 6.151 -3.542 418 HE2 HIS 54 HE2 HIS 54 17.985 5.246 -1.211 419 HB2 HIS 54 1HB HIS 54 13.323 6.454 -1.760 420 HB3 HIS 54 2HB HIS 54 13.649 7.161 -3.347 421 H LYS 55 H LYS 55 13.344 10.968 -2.432 422 HA LYS 55 HA LYS 55 10.477 10.948 -2.588 423 HB2 LYS 55 1HB LYS 55 12.617 13.004 -3.146 424 HB3 LYS 55 2HB LYS 55 10.981 13.314 -3.705 425 HG2 LYS 55 1HG LYS 55 11.739 12.755 -0.816 426 HG3 LYS 55 2HG LYS 55 11.482 14.361 -1.499 427 HD2 LYS 55 1HD LYS 55 9.375 12.161 -1.390 428 HD3 LYS 55 2HD LYS 55 9.507 13.492 -0.242 429 HE2 LYS 55 1HE LYS 55 9.056 13.875 -3.221 430 HE3 LYS 55 2HE LYS 55 7.767 13.842 -2.021 431 HZ1 LYS 55 3HZ LYS 55 8.470 16.095 -2.603 432 HZ2 LYS 55 1HZ LYS 55 10.022 15.769 -2.028 433 HZ3 LYS 55 2HZ LYS 55 8.709 15.770 -0.962 434 H ASP 56 H ASP 56 13.072 10.729 -4.995 435 HA ASP 56 HA ASP 56 11.194 10.914 -7.235 436 HB2 ASP 56 1HB ASP 56 13.407 12.076 -7.337 437 HB3 ASP 56 2HB ASP 56 14.217 10.512 -7.239 438 H LYS 57 H LYS 57 10.045 8.988 -6.535 439 HA LYS 57 HA LYS 57 11.064 6.480 -7.654 440 HB2 LYS 57 1HB LYS 57 10.916 5.205 -5.680 441 HB3 LYS 57 2HB LYS 57 11.655 6.693 -5.122 442 HG2 LYS 57 1HG LYS 57 8.796 5.776 -4.699 443 HG3 LYS 57 2HG LYS 57 10.060 5.967 -3.487 444 HD2 LYS 57 1HD LYS 57 10.019 8.450 -3.957 445 HD3 LYS 57 2HD LYS 57 8.628 8.175 -4.995 446 HE2 LYS 57 1HE LYS 57 8.005 8.947 -2.727 447 HE3 LYS 57 2HE LYS 57 7.318 7.367 -3.132 448 HZ1 LYS 57 3HZ LYS 57 9.141 6.330 -1.899 449 HZ2 LYS 57 1HZ LYS 57 8.225 7.348 -0.915 450 HZ3 LYS 57 2HZ LYS 57 9.731 7.855 -1.478 451 H LYS 58 H LYS 58 9.144 4.733 -7.099 452 HA LYS 58 HA LYS 58 6.479 5.977 -7.492 453 HB2 LYS 58 1HB LYS 58 7.477 4.977 -9.597 454 HB3 LYS 58 2HB LYS 58 7.420 3.401 -8.798 455 HG2 LYS 58 1HG LYS 58 5.072 3.342 -8.792 456 HG3 LYS 58 2HG LYS 58 4.927 5.083 -9.048 457 HD2 LYS 58 1HD LYS 58 4.359 3.760 -11.077 458 HD3 LYS 58 2HD LYS 58 5.694 4.885 -11.321 459 HE2 LYS 58 1HE LYS 58 7.306 3.012 -11.064 460 HE3 LYS 58 2HE LYS 58 5.955 1.895 -10.848 461 HZ1 LYS 58 3HZ LYS 58 6.451 3.526 -13.280 462 HZ2 LYS 58 1HZ LYS 58 5.220 2.382 -13.076 463 HZ3 LYS 58 2HZ LYS 58 6.835 1.889 -13.113 464 H VAL 59 H VAL 59 5.710 5.670 -5.386 465 HA VAL 59 HA VAL 59 5.910 2.958 -4.196 466 HB VAL 59 HB VAL 59 5.566 5.691 -2.889 467 HG11 VAL 59 1HG1 VAL 59 5.078 3.018 -1.508 468 HG12 VAL 59 2HG1 VAL 59 3.877 4.276 -1.796 469 HG13 VAL 59 3HG1 VAL 59 5.218 4.580 -0.693 470 HG21 VAL 59 3HG2 VAL 59 7.509 4.955 -1.552 471 HG22 VAL 59 1HG2 VAL 59 7.855 4.868 -3.278 472 HG23 VAL 59 2HG2 VAL 59 7.499 3.392 -2.378 473 H LEU 60 H LEU 60 4.168 1.782 -3.722 474 HA LEU 60 HA LEU 60 1.461 2.818 -4.367 475 HG LEU 60 HG LEU 60 0.106 0.013 -4.054 476 HB2 LEU 60 1HB LEU 60 2.266 1.069 -5.925 477 HB3 LEU 60 2HB LEU 60 2.592 -0.004 -4.573 478 HD11 LEU 60 1HD1 LEU 60 -0.085 1.447 -6.714 479 HD12 LEU 60 2HD1 LEU 60 -0.539 2.084 -5.131 480 HD13 LEU 60 3HD1 LEU 60 -1.443 0.744 -5.832 481 HD21 LEU 60 3HD2 LEU 60 1.151 -1.861 -5.268 482 HD22 LEU 60 1HD2 LEU 60 0.849 -1.039 -6.802 483 HD23 LEU 60 2HD2 LEU 60 -0.502 -1.578 -5.803 484 H LEU 61 H LEU 61 0.463 3.244 -2.435 485 HA LEU 61 HA LEU 61 0.910 1.666 -0.030 486 HG LEU 61 HG LEU 61 0.825 4.984 -0.952 487 HB2 LEU 61 1HB LEU 61 -1.234 3.784 -0.466 488 HB3 LEU 61 2HB LEU 61 -0.600 3.212 1.063 489 HD11 LEU 61 1HD1 LEU 61 -0.848 6.152 0.414 490 HD12 LEU 61 2HD1 LEU 61 0.783 6.670 0.828 491 HD13 LEU 61 3HD1 LEU 61 -0.082 5.553 1.888 492 HD21 LEU 61 3HD2 LEU 61 2.468 3.453 -0.005 493 HD22 LEU 61 1HD2 LEU 61 1.923 3.834 1.631 494 HD23 LEU 61 2HD2 LEU 61 2.703 5.072 0.644 495 H HIS 62 H HIS 62 0.058 -0.435 -0.323 496 HA HIS 62 HA HIS 62 -2.662 -0.700 -1.431 497 HD1 HIS 62 HD1 HIS 62 -2.568 -4.661 -0.044 498 HD2 HIS 62 HD2 HIS 62 1.210 -2.970 0.057 499 HE1 HIS 62 HE1 HIS 62 -1.216 -6.139 1.453 500 HE2 HIS 62 HE2 HIS 62 0.963 -4.928 1.707 501 HB2 HIS 62 1HB HIS 62 -2.223 -2.945 -1.865 502 HB3 HIS 62 2HB HIS 62 -0.622 -2.244 -2.049 503 H CYS 63 H CYS 63 -4.392 -1.575 -0.296 504 HA CYS 63 HA CYS 63 -4.065 -2.042 2.622 505 HG CYS 63 HG CYS 63 -5.728 -0.731 4.715 506 HB2 CYS 63 1HB CYS 63 -4.930 0.249 2.331 507 HB3 CYS 63 2HB CYS 63 -6.273 -0.368 1.372 508 H ARG 64 H ARG 64 -5.844 -3.168 3.606 509 HA ARG 64 HA ARG 64 -6.461 -5.647 2.639 510 HE ARG 64 HE ARG 64 -9.523 -8.418 5.293 511 HB2 ARG 64 1HB ARG 64 -6.782 -4.605 5.024 512 HB3 ARG 64 2HB ARG 64 -8.388 -4.171 4.481 513 HG2 ARG 64 1HG ARG 64 -7.275 -6.999 4.715 514 HG3 ARG 64 2HG ARG 64 -8.414 -6.238 5.821 515 HD2 ARG 64 1HD ARG 64 -10.060 -6.100 3.961 516 HD3 ARG 64 2HD ARG 64 -8.916 -6.921 2.913 517 HH11 ARG 64 1HH1 ARG 64 -10.667 -7.692 2.038 518 HH12 ARG 64 2HH1 ARG 64 -11.546 -9.176 1.882 519 HH21 ARG 64 1HH2 ARG 64 -10.747 -10.366 5.072 520 HH22 ARG 64 2HH2 ARG 64 -11.615 -10.670 3.599 521 H ALA 65 H ALA 65 -8.642 -2.780 2.498 522 HA ALA 65 HA ALA 65 -10.066 -4.049 0.215 523 HB1 ALA 65 3HB ALA 65 -12.016 -2.663 0.764 524 HB2 ALA 65 1HB ALA 65 -11.147 -1.933 2.115 525 HB3 ALA 65 2HB ALA 65 -11.555 -3.649 2.152 526 H GLY 66 H GLY 66 -8.896 -0.939 1.513 527 HA2 GLY 66 1HA GLY 66 -7.361 0.123 -0.302 528 HA3 GLY 66 2HA GLY 66 -8.869 0.244 -1.191 529 H ARG 67 H ARG 67 -9.803 0.653 1.912 530 HA ARG 67 HA ARG 67 -10.245 3.441 1.668 531 HE ARG 67 HE ARG 67 -10.354 5.983 4.767 532 HB2 ARG 67 1HB ARG 67 -11.811 2.097 2.962 533 HB3 ARG 67 2HB ARG 67 -10.541 1.594 4.068 534 HG2 ARG 67 1HG ARG 67 -12.012 3.277 5.098 535 HG3 ARG 67 2HG ARG 67 -10.356 3.860 4.965 536 HD2 ARG 67 1HD ARG 67 -11.638 4.737 2.572 537 HD3 ARG 67 2HD ARG 67 -12.801 5.021 3.867 538 HH11 ARG 67 1HH1 ARG 67 -12.615 6.760 2.193 539 HH12 ARG 67 2HH1 ARG 67 -12.159 8.431 2.140 540 HH21 ARG 67 1HH2 ARG 67 -9.766 8.180 4.686 541 HH22 ARG 67 2HH2 ARG 67 -10.550 9.236 3.552 542 H ARG 68 H ARG 68 -7.974 1.598 3.748 543 HA ARG 68 HA ARG 68 -6.791 3.911 4.959 544 HE ARG 68 HE ARG 68 -8.204 0.768 8.396 545 HB2 ARG 68 1HB ARG 68 -5.536 1.149 4.669 546 HB3 ARG 68 2HB ARG 68 -5.079 2.396 5.823 547 HG2 ARG 68 1HG ARG 68 -7.663 0.825 5.782 548 HG3 ARG 68 2HG ARG 68 -6.335 0.650 6.922 549 HD2 ARG 68 1HD ARG 68 -6.774 3.033 7.661 550 HD3 ARG 68 2HD ARG 68 -8.227 3.006 6.655 551 HH11 ARG 68 1HH1 ARG 68 -8.794 4.239 8.484 552 HH12 ARG 68 2HH1 ARG 68 -9.805 4.147 9.891 553 HH21 ARG 68 1HH2 ARG 68 -9.526 0.677 10.237 554 HH22 ARG 68 2HH2 ARG 68 -10.223 2.136 10.881 555 H ALA 69 H ALA 69 -6.175 2.072 2.070 556 HA ALA 69 HA ALA 69 -3.646 3.023 1.284 557 HB1 ALA 69 3HB ALA 69 -4.795 1.095 0.230 558 HB2 ALA 69 1HB ALA 69 -4.301 2.286 -0.971 559 HB3 ALA 69 2HB ALA 69 -5.989 2.188 -0.470 560 H LEU 70 H LEU 70 -6.881 4.077 0.296 561 HA LEU 70 HA LEU 70 -6.298 6.426 -1.078 562 HG LEU 70 HG LEU 70 -8.865 8.059 0.232 563 HB2 LEU 70 1HB LEU 70 -8.497 5.381 -1.176 564 HB3 LEU 70 2HB LEU 70 -8.725 5.579 0.552 565 HD11 LEU 70 1HD1 LEU 70 -9.161 9.010 -2.017 566 HD12 LEU 70 2HD1 LEU 70 -8.765 7.447 -2.735 567 HD13 LEU 70 3HD1 LEU 70 -7.549 8.326 -1.805 568 HD21 LEU 70 3HD2 LEU 70 -10.923 6.717 0.329 569 HD22 LEU 70 1HD2 LEU 70 -10.862 6.473 -1.421 570 HD23 LEU 70 2HD2 LEU 70 -11.116 8.090 -0.758 571 H ASP 71 H ASP 71 -7.144 5.980 2.342 572 HA ASP 71 HA ASP 71 -7.336 8.643 3.139 573 HB2 ASP 71 1HB ASP 71 -8.221 6.691 4.403 574 HB3 ASP 71 2HB ASP 71 -6.581 6.213 4.815 575 H ALA 72 H ALA 72 -4.614 6.397 3.556 576 HA ALA 72 HA ALA 72 -2.800 8.174 4.783 577 HB1 ALA 72 3HB ALA 72 -2.205 5.701 3.123 578 HB2 ALA 72 1HB ALA 72 -2.580 5.721 4.848 579 HB3 ALA 72 2HB ALA 72 -1.107 6.481 4.261 580 H ALA 73 H ALA 73 -3.336 7.283 1.389 581 HA ALA 73 HA ALA 73 -1.175 8.734 0.279 582 HB1 ALA 73 3HB ALA 73 -2.284 6.890 -0.910 583 HB2 ALA 73 1HB ALA 73 -2.265 8.364 -1.880 584 HB3 ALA 73 2HB ALA 73 -3.749 7.861 -1.065 585 H LYS 74 H LYS 74 -4.547 9.673 1.028 586 HA LYS 74 HA LYS 74 -4.614 12.110 -0.411 587 HB2 LYS 74 1HB LYS 74 -6.101 11.541 2.196 588 HB3 LYS 74 2HB LYS 74 -6.452 12.847 1.072 589 HG2 LYS 74 1HG LYS 74 -6.842 10.859 -0.638 590 HG3 LYS 74 2HG LYS 74 -7.034 9.907 0.828 591 HD2 LYS 74 1HD LYS 74 -9.233 10.566 0.220 592 HD3 LYS 74 2HD LYS 74 -8.793 11.630 1.558 593 HE2 LYS 74 1HE LYS 74 -8.213 13.410 -0.094 594 HE3 LYS 74 2HE LYS 74 -8.715 12.332 -1.405 595 HZ1 LYS 74 3HZ LYS 74 -10.439 13.909 -0.820 596 HZ2 LYS 74 1HZ LYS 74 -10.472 13.347 0.771 597 HZ3 LYS 74 2HZ LYS 74 -10.947 12.336 -0.494 598 H SER 75 H SER 75 -3.953 11.451 2.996 599 HA SER 75 HA SER 75 -3.292 13.965 3.910 600 HG SER 75 HG SER 75 -4.083 10.907 5.335 601 HB2 SER 75 1HB SER 75 -2.101 11.309 4.808 602 HB3 SER 75 2HB SER 75 -2.175 12.794 5.765 603 H MET 76 H MET 76 -1.178 11.600 2.323 604 HA MET 76 HA MET 76 1.251 13.080 2.659 605 HB2 MET 76 1HB MET 76 0.549 10.782 0.792 606 HB3 MET 76 2HB MET 76 2.172 11.448 0.983 607 HG2 MET 76 1HG MET 76 0.524 10.151 3.157 608 HG3 MET 76 2HG MET 76 1.910 9.443 2.326 609 HE1 MET 76 3HE MET 76 0.885 10.974 5.522 610 HE2 MET 76 1HE MET 76 2.495 10.972 6.239 611 HE3 MET 76 2HE MET 76 1.877 9.514 5.465 612 H HIS 77 H HIS 77 -1.042 12.733 -0.050 613 HA HIS 77 HA HIS 77 0.233 14.476 -1.859 614 HD1 HIS 77 HD1 HIS 77 -1.428 13.973 -4.991 615 HD2 HIS 77 HD2 HIS 77 -1.027 10.979 -2.140 616 HE1 HIS 77 HE1 HIS 77 -0.783 11.911 -6.253 617 HE2 HIS 77 HE2 HIS 77 -0.743 10.085 -4.534 618 HB2 HIS 77 1HB HIS 77 -2.580 13.444 -1.596 619 HB3 HIS 77 2HB HIS 77 -2.250 14.716 -2.759 620 H GLU 78 H GLU 78 -1.721 15.142 0.956 621 HA GLU 78 HA GLU 78 -2.137 17.949 0.424 622 HB2 GLU 78 1HB GLU 78 -2.378 16.401 3.035 623 HB3 GLU 78 2HB GLU 78 -3.016 18.014 2.729 624 HG2 GLU 78 1HG GLU 78 -3.889 15.505 1.286 625 HG3 GLU 78 2HG GLU 78 -4.729 16.202 2.645 626 H LEU 79 H LEU 79 0.302 15.991 2.016 627 HA LEU 79 HA LEU 79 1.819 18.224 3.096 628 HG LEU 79 HG LEU 79 0.792 15.395 4.259 629 HB2 LEU 79 1HB LEU 79 2.680 15.333 2.688 630 HB3 LEU 79 2HB LEU 79 3.532 16.533 3.650 631 HD11 LEU 79 1HD1 LEU 79 1.856 14.272 6.165 632 HD12 LEU 79 2HD1 LEU 79 3.430 14.878 5.645 633 HD13 LEU 79 3HD1 LEU 79 2.543 13.740 4.630 634 HD21 LEU 79 3HD2 LEU 79 0.934 16.592 6.413 635 HD22 LEU 79 1HD2 LEU 79 0.938 17.711 5.051 636 HD23 LEU 79 2HD2 LEU 79 2.444 17.346 5.896 637 H GLY 80 H GLY 80 1.465 16.779 0.026 638 HA2 GLY 80 1HA GLY 80 2.312 18.059 -1.860 639 HA3 GLY 80 2HA GLY 80 3.845 18.223 -1.024 640 H TYR 81 H TYR 81 3.266 15.201 -0.245 641 HA TYR 81 HA TYR 81 4.982 14.021 -2.201 642 HD1 TYR 81 HD1 TYR 81 6.852 12.643 -0.567 643 HD2 TYR 81 HD2 TYR 81 3.529 13.757 1.866 644 HE1 TYR 81 HE1 TYR 81 8.397 13.219 1.252 645 HE2 TYR 81 HE2 TYR 81 5.067 14.335 3.699 646 HH TYR 81 HH TYR 81 7.367 13.760 4.440 647 HB2 TYR 81 1HB TYR 81 3.142 12.623 -0.211 648 HB3 TYR 81 2HB TYR 81 4.473 11.863 -1.078 649 H THR 82 H THR 82 4.328 11.976 -3.422 650 HA THR 82 HA THR 82 1.548 11.972 -4.389 651 HB THR 82 HB THR 82 2.593 11.592 -6.793 652 HG1 THR 82 HG1 THR 82 4.646 12.072 -7.053 653 HG21 THR 82 3HG2 THR 82 1.241 13.589 -6.260 654 HG22 THR 82 1HG2 THR 82 2.599 14.005 -7.309 655 HG23 THR 82 2HG2 THR 82 2.666 14.383 -5.588 656 HA PRO 83 HA PRO 83 3.051 7.536 -3.939 657 HB2 PRO 83 1HB PRO 83 1.665 6.745 -1.747 658 HB3 PRO 83 2HB PRO 83 3.252 7.519 -1.602 659 HG2 PRO 83 1HG PRO 83 0.511 8.759 -1.310 660 HG3 PRO 83 2HG PRO 83 1.933 8.928 -0.254 661 HD2 PRO 83 1HD PRO 83 1.281 10.795 -2.135 662 HD3 PRO 83 2HD PRO 83 2.959 10.464 -1.664 663 H TYR 84 H TYR 84 1.857 6.062 -4.996 664 HA TYR 84 HA TYR 84 -0.890 6.464 -5.796 665 HD1 TYR 84 HD2 TYR 84 2.830 5.781 -6.609 666 HD2 TYR 84 HD1 TYR 84 -0.645 5.411 -9.076 667 HE1 TYR 84 HE2 TYR 84 3.996 6.935 -8.429 668 HE2 TYR 84 HE1 TYR 84 0.529 6.580 -10.890 669 HH TYR 84 HH TYR 84 2.431 8.161 -11.153 670 HB2 TYR 84 1HB TYR 84 0.947 4.042 -6.146 671 HB3 TYR 84 2HB TYR 84 -0.600 4.280 -6.962 672 H TYR 85 H TYR 85 -2.347 4.352 -5.548 673 HA TYR 85 HA TYR 85 -1.980 2.959 -3.034 674 HD1 TYR 85 HD2 TYR 85 -3.174 6.731 -3.960 675 HD2 TYR 85 HD1 TYR 85 -6.321 3.967 -3.108 676 HE1 TYR 85 HE2 TYR 85 -4.776 8.205 -5.065 677 HE2 TYR 85 HE1 TYR 85 -7.924 5.451 -4.230 678 HH TYR 85 HH TYR 85 -6.934 8.031 -6.186 679 HB2 TYR 85 1HB TYR 85 -4.161 3.687 -2.069 680 HB3 TYR 85 2HB TYR 85 -2.967 4.965 -2.140 681 H LEU 86 H LEU 86 -2.860 1.019 -3.067 682 HA LEU 86 HA LEU 86 -4.368 0.182 -5.440 683 HG LEU 86 HG LEU 86 -2.755 -3.209 -5.299 684 HB2 LEU 86 1HB LEU 86 -2.211 -0.960 -4.866 685 HB3 LEU 86 2HB LEU 86 -2.917 -1.519 -3.366 686 HD11 LEU 86 1HD1 LEU 86 -5.516 -2.856 -4.121 687 HD12 LEU 86 2HD1 LEU 86 -4.163 -3.693 -3.363 688 HD13 LEU 86 3HD1 LEU 86 -4.866 -4.330 -4.847 689 HD21 LEU 86 3HD2 LEU 86 -4.457 -3.181 -7.025 690 HD22 LEU 86 1HD2 LEU 86 -3.470 -1.724 -7.105 691 HD23 LEU 86 2HD2 LEU 86 -5.092 -1.653 -6.413 692 H GLU 87 H GLU 87 -6.421 0.197 -5.217 693 HA GLU 87 HA GLU 87 -7.795 -0.565 -2.733 694 HB2 GLU 87 1HB GLU 87 -8.865 0.574 -5.360 695 HB3 GLU 87 2HB GLU 87 -9.832 0.230 -3.926 696 HG2 GLU 87 1HG GLU 87 -8.437 1.908 -2.668 697 HG3 GLU 87 2HG GLU 87 -7.637 2.308 -4.187 698 H GLY 88 H GLY 88 -7.805 -2.708 -2.552 699 HA2 GLY 88 1HA GLY 88 -9.373 -4.413 -4.133 700 HA3 GLY 88 2HA GLY 88 -7.684 -4.655 -4.583 701 H ASN 89 H ASN 89 -9.381 -6.609 -3.318 702 HA ASN 89 HA ASN 89 -8.990 -6.668 -0.502 703 HB2 ASN 89 1HB ASN 89 -10.038 -8.719 -2.452 704 HB3 ASN 89 2HB ASN 89 -9.777 -9.130 -0.761 705 HD21 ASN 89 2HD2 ASN 89 -11.906 -9.462 -0.300 706 HD22 ASN 89 1HD2 ASN 89 -13.094 -8.203 -0.262 707 H VAL 90 H VAL 90 -7.360 -7.356 0.663 708 HA VAL 90 HA VAL 90 -4.842 -7.666 -0.509 709 HB VAL 90 HB VAL 90 -5.258 -6.587 1.684 710 HG11 VAL 90 1HG1 VAL 90 -6.855 -8.178 2.636 711 HG12 VAL 90 2HG1 VAL 90 -5.506 -7.906 3.732 712 HG13 VAL 90 3HG1 VAL 90 -5.583 -9.394 2.787 713 HG21 VAL 90 3HG2 VAL 90 -3.195 -8.811 1.768 714 HG22 VAL 90 1HG2 VAL 90 -3.229 -7.415 2.847 715 HG23 VAL 90 2HG2 VAL 90 -2.967 -7.187 1.117 716 H TYR 91 H TYR 91 -7.042 -10.121 0.781 717 HA TYR 91 HA TYR 91 -5.155 -12.287 0.771 718 HD1 TYR 91 HD1 TYR 91 -8.163 -10.461 2.438 719 HD2 TYR 91 HD2 TYR 91 -6.363 -14.260 3.183 720 HE1 TYR 91 HE1 TYR 91 -8.221 -10.006 4.842 721 HE2 TYR 91 HE2 TYR 91 -6.434 -13.814 5.602 722 HH TYR 91 HH TYR 91 -6.554 -11.887 7.134 723 HB2 TYR 91 1HB TYR 91 -8.208 -12.343 0.712 724 HB3 TYR 91 2HB TYR 91 -7.183 -13.750 0.973 725 H ASP 92 H ASP 92 -7.290 -10.829 -1.545 726 HA ASP 92 HA ASP 92 -7.435 -13.006 -3.397 727 HB2 ASP 92 1HB ASP 92 -8.273 -10.090 -3.594 728 HB3 ASP 92 2HB ASP 92 -8.484 -11.227 -4.926 729 H PHE 93 H PHE 93 -5.035 -10.624 -2.833 730 HA PHE 93 HA PHE 93 -3.848 -10.299 -5.350 731 HD1 PHE 93 HD1 PHE 93 -4.828 -8.548 -4.286 732 HD2 PHE 93 HD2 PHE 93 -1.374 -8.455 -1.789 733 HE1 PHE 93 HE1 PHE 93 -5.453 -6.305 -3.509 734 HE2 PHE 93 HE2 PHE 93 -2.004 -6.226 -1.025 735 HZ PHE 93 HZ PHE 93 -4.035 -5.137 -1.867 736 HB2 PHE 93 1HB PHE 93 -2.403 -10.652 -2.690 737 HB3 PHE 93 2HB PHE 93 -1.706 -9.947 -4.145 738 H GLU 94 H GLU 94 -3.576 -12.876 -2.975 739 HA GLU 94 HA GLU 94 -1.491 -14.363 -4.189 740 HB2 GLU 94 1HB GLU 94 -2.376 -14.288 -1.712 741 HB3 GLU 94 2HB GLU 94 -3.512 -15.519 -2.232 742 HG2 GLU 94 1HG GLU 94 -0.502 -15.811 -2.487 743 HG3 GLU 94 2HG GLU 94 -1.400 -16.312 -1.060 744 H LYS 95 H LYS 95 -5.068 -14.674 -4.269 745 HA LYS 95 HA LYS 95 -5.055 -17.067 -5.867 746 HB2 LYS 95 1HB LYS 95 -7.449 -16.921 -5.963 747 HB3 LYS 95 2HB LYS 95 -6.967 -16.443 -4.341 748 HG2 LYS 95 1HG LYS 95 -7.255 -14.063 -4.980 749 HG3 LYS 95 2HG LYS 95 -7.789 -14.569 -6.580 750 HD2 LYS 95 1HD LYS 95 -9.193 -15.237 -3.961 751 HD3 LYS 95 2HD LYS 95 -9.690 -13.981 -5.093 752 HE2 LYS 95 1HE LYS 95 -10.033 -15.757 -6.830 753 HE3 LYS 95 2HE LYS 95 -9.658 -16.973 -5.609 754 HZ1 LYS 95 3HZ LYS 95 -12.036 -16.675 -5.878 755 HZ2 LYS 95 1HZ LYS 95 -11.906 -15.037 -5.471 756 HZ3 LYS 95 2HZ LYS 95 -11.552 -16.225 -4.320 757 H TYR 96 H TYR 96 -5.000 -13.639 -6.614 758 HA TYR 96 HA TYR 96 -5.542 -13.901 -9.420 759 HD1 TYR 96 HD1 TYR 96 -7.129 -12.544 -7.191 760 HD2 TYR 96 HD2 TYR 96 -5.771 -10.122 -10.439 761 HE1 TYR 96 HE1 TYR 96 -9.384 -11.615 -7.439 762 HE2 TYR 96 HE2 TYR 96 -8.036 -9.191 -10.683 763 HH TYR 96 HH TYR 96 -10.428 -9.539 -8.351 764 HB2 TYR 96 1HB TYR 96 -4.473 -11.685 -7.668 765 HB3 TYR 96 2HB TYR 96 -4.218 -11.559 -9.404 766 H GLY 97 H GLY 97 -2.666 -14.183 -7.401 767 HA2 GLY 97 1HA GLY 97 -1.142 -15.950 -8.319 768 HA3 GLY 97 2HA GLY 97 -1.096 -15.009 -9.800 769 H PHE 98 H PHE 98 -1.166 -12.755 -7.411 770 HA PHE 98 HA PHE 98 1.619 -12.095 -7.657 771 HD1 PHE 98 HD1 PHE 98 1.550 -9.505 -8.631 772 HD2 PHE 98 HD2 PHE 98 -2.376 -10.423 -7.196 773 HE1 PHE 98 HE1 PHE 98 0.566 -8.331 -10.557 774 HE2 PHE 98 HE2 PHE 98 -3.347 -9.246 -9.125 775 HZ PHE 98 HZ PHE 98 -1.880 -8.201 -10.806 776 HB2 PHE 98 1HB PHE 98 -0.487 -10.882 -5.808 777 HB3 PHE 98 2HB PHE 98 1.082 -10.175 -6.189 778 H ARG 99 H ARG 99 3.259 -12.645 -6.332 779 HA ARG 99 HA ARG 99 3.103 -14.583 -4.312 780 HE ARG 99 HE ARG 99 7.369 -14.478 -1.470 781 HB2 ARG 99 1HB ARG 99 5.195 -14.382 -5.391 782 HB3 ARG 99 2HB ARG 99 5.253 -12.643 -5.194 783 HG2 ARG 99 1HG ARG 99 6.957 -13.679 -3.804 784 HG3 ARG 99 2HG ARG 99 5.741 -12.924 -2.799 785 HD2 ARG 99 1HD ARG 99 4.726 -15.125 -2.368 786 HD3 ARG 99 2HD ARG 99 5.982 -15.889 -3.351 787 HH11 ARG 99 1HH1 ARG 99 4.861 -16.949 -1.270 788 HH12 ARG 99 2HH1 ARG 99 5.424 -17.557 0.255 789 HH21 ARG 99 1HH2 ARG 99 8.073 -15.288 0.543 790 HH22 ARG 99 2HH2 ARG 99 7.239 -16.624 1.275 791 H MET 100 H MET 100 2.814 -14.521 -2.195 792 HA MET 100 HA MET 100 2.825 -11.986 -0.679 793 HB2 MET 100 1HB MET 100 0.583 -14.049 -0.485 794 HB3 MET 100 2HB MET 100 0.735 -12.589 0.480 795 HG2 MET 100 1HG MET 100 0.572 -11.336 -1.789 796 HG3 MET 100 2HG MET 100 -0.046 -12.863 -2.411 797 HE1 MET 100 3HE MET 100 -2.064 -10.349 0.891 798 HE2 MET 100 1HE MET 100 -0.603 -9.872 0.023 799 HE3 MET 100 2HE MET 100 -0.552 -11.213 1.170 800 H VAL 101 H VAL 101 3.249 -12.223 1.532 801 HA VAL 101 HA VAL 101 4.344 -14.805 2.442 802 HB VAL 101 HB VAL 101 4.665 -12.022 3.673 803 HG11 VAL 101 1HG1 VAL 101 5.976 -14.650 4.492 804 HG12 VAL 101 2HG1 VAL 101 4.768 -13.754 5.413 805 HG13 VAL 101 3HG1 VAL 101 6.366 -13.058 5.155 806 HG21 VAL 101 3HG2 VAL 101 7.006 -12.140 2.909 807 HG22 VAL 101 1HG2 VAL 101 5.889 -12.241 1.548 808 HG23 VAL 101 2HG2 VAL 101 6.690 -13.698 2.138 809 H TYR 102 H TYR 102 2.633 -15.954 3.130 810 HA TYR 102 HA TYR 102 0.639 -14.823 4.963 811 HD1 TYR 102 HD1 TYR 102 0.388 -15.241 1.673 812 HD2 TYR 102 HD2 TYR 102 -2.447 -16.718 4.510 813 HE1 TYR 102 HE1 TYR 102 -1.432 -14.172 0.426 814 HE2 TYR 102 HE2 TYR 102 -4.260 -15.647 3.256 815 HH TYR 102 HH TYR 102 -3.852 -14.408 0.112 816 HB2 TYR 102 1HB TYR 102 0.815 -17.341 3.312 817 HB3 TYR 102 2HB TYR 102 -0.203 -17.357 4.744 818 H ASP 103 H ASP 103 1.182 -14.763 7.003 819 HA ASP 103 HA ASP 103 1.563 -15.315 9.107 820 HB2 ASP 103 1HB ASP 103 0.101 -17.227 8.711 821 HB3 ASP 103 2HB ASP 103 1.450 -18.174 8.098 822 H ASP 104 H ASP 104 3.390 -14.483 9.651 823 HA ASP 104 HA ASP 104 5.900 -16.051 9.553 824 HB2 ASP 104 1HB ASP 104 6.066 -14.136 7.983 825 HB3 ASP 104 2HB ASP 104 5.552 -13.027 9.247 826 H THR 105 H THR 105 4.074 -13.466 11.075 827 HA THR 105 HA THR 105 3.953 -12.475 13.038 828 HB THR 105 HB THR 105 3.860 -13.862 15.097 829 HG1 THR 105 HG1 THR 105 4.571 -15.865 15.153 830 HG21 THR 105 3HG2 THR 105 1.964 -15.299 14.432 831 HG22 THR 105 1HG2 THR 105 2.393 -15.082 12.735 832 HG23 THR 105 2HG2 THR 105 1.851 -13.703 13.694 833 H CYS 106 H CYS 106 6.581 -14.721 14.033 834 HA CYS 106 HA CYS 106 8.473 -12.448 14.074 835 HG CYS 106 HG CYS 106 6.675 -11.570 15.873 836 HB2 CYS 106 1HB CYS 106 8.140 -14.447 16.352 837 HB3 CYS 106 2HB CYS 106 9.402 -13.221 16.243 838 H ASP 107 H ASP 107 8.333 -15.967 14.734 839 HA ASP 107 HA ASP 107 10.175 -16.558 12.566 840 HB2 ASP 107 1HB ASP 107 11.725 -15.977 14.431 841 HB3 ASP 107 2HB ASP 107 10.945 -17.185 15.454 842 H LYS 108 H LYS 108 9.941 -18.604 11.818 843 HA LYS 108 HA LYS 108 8.486 -20.645 13.319 844 HB2 LYS 108 1HB LYS 108 6.711 -19.341 12.169 845 HB3 LYS 108 2HB LYS 108 7.526 -19.575 10.626 846 HG2 LYS 108 1HG LYS 108 7.133 -22.001 10.759 847 HG3 LYS 108 2HG LYS 108 6.356 -21.803 12.332 848 HD2 LYS 108 1HD LYS 108 5.365 -20.721 9.665 849 HD3 LYS 108 2HD LYS 108 4.657 -22.051 10.587 850 HE2 LYS 108 1HE LYS 108 4.777 -19.142 11.458 851 HE3 LYS 108 2HE LYS 108 3.351 -19.994 10.872 852 HZ1 LYS 108 3HZ LYS 108 3.350 -19.866 13.266 853 HZ2 LYS 108 1HZ LYS 108 4.854 -20.631 13.354 854 HZ3 LYS 108 2HZ LYS 108 3.505 -21.477 12.781 855 H LYS 109 H LYS 109 9.315 -20.126 9.858 856 HA LYS 109 HA LYS 109 10.401 -21.371 8.301 857 HB2 LYS 109 1HB LYS 109 12.085 -22.328 10.658 858 HB3 LYS 109 2HB LYS 109 12.516 -22.521 8.963 859 HG2 LYS 109 1HG LYS 109 12.862 -20.178 8.667 860 HG3 LYS 109 2HG LYS 109 12.077 -19.787 10.199 861 HD2 LYS 109 1HD LYS 109 14.713 -21.284 9.908 862 HD3 LYS 109 2HD LYS 109 14.551 -19.574 10.320 863 HE2 LYS 109 1HE LYS 109 13.331 -20.190 12.385 864 HE3 LYS 109 2HE LYS 109 13.503 -21.900 11.983 865 HZ1 LYS 109 3HZ LYS 109 15.721 -20.003 12.524 866 HZ2 LYS 109 1HZ LYS 109 15.908 -21.635 12.125 867 HZ3 LYS 109 2HZ LYS 109 15.162 -21.199 13.580 868 H ASN 110 H ASN 110 11.257 -23.908 7.988 869 HA ASN 110 HA ASN 110 9.870 -25.901 9.496 870 HB2 ASN 110 1HB ASN 110 8.352 -26.780 7.782 871 HB3 ASN 110 2HB ASN 110 7.958 -25.097 8.087 872 HD21 ASN 110 2HD2 ASN 110 9.189 -27.370 5.771 873 HD22 ASN 110 1HD2 ASN 110 9.158 -26.305 4.410 Start of MODEL 19 1 HA MET 1 HA MET 1 -5.616 14.858 -8.746 2 H1 MET 1 1H MET 1 -7.717 13.923 -8.148 3 H2 MET 1 2H MET 1 -7.620 15.534 -7.657 4 H3 MET 1 3H MET 1 -7.468 14.294 -6.517 5 HB2 MET 1 1HB MET 1 -5.165 15.206 -5.752 6 HB3 MET 1 2HB MET 1 -3.996 15.551 -7.019 7 HG2 MET 1 1HG MET 1 -5.496 17.337 -7.870 8 HG3 MET 1 2HG MET 1 -6.594 17.026 -6.525 9 HE1 MET 1 3HE MET 1 -4.351 16.422 -4.162 10 HE2 MET 1 1HE MET 1 -5.838 17.346 -3.932 11 HE3 MET 1 2HE MET 1 -4.289 18.036 -3.456 12 H LEU 2 H LEU 2 -5.993 12.970 -5.659 13 HA LEU 2 HA LEU 2 -3.891 11.129 -6.542 14 HG LEU 2 HG LEU 2 -6.243 9.726 -4.084 15 HB2 LEU 2 1HB LEU 2 -3.734 10.293 -4.410 16 HB3 LEU 2 2HB LEU 2 -4.181 11.959 -4.109 17 HD11 LEU 2 1HD1 LEU 2 -5.967 9.597 -1.652 18 HD12 LEU 2 2HD1 LEU 2 -4.599 10.714 -1.743 19 HD13 LEU 2 3HD1 LEU 2 -4.491 9.118 -2.498 20 HD21 LEU 2 3HD2 LEU 2 -6.213 12.470 -2.794 21 HD22 LEU 2 1HD2 LEU 2 -7.508 11.276 -2.660 22 HD23 LEU 2 2HD2 LEU 2 -7.142 12.004 -4.223 23 H GLU 3 H GLU 3 -7.354 11.191 -6.480 24 HA GLU 3 HA GLU 3 -7.869 8.411 -6.616 25 HB2 GLU 3 1HB GLU 3 -10.066 9.113 -7.738 26 HB3 GLU 3 2HB GLU 3 -9.776 9.691 -6.111 27 HG2 GLU 3 1HG GLU 3 -8.969 11.518 -8.338 28 HG3 GLU 3 2HG GLU 3 -10.695 11.268 -8.105 29 H ASP 4 H ASP 4 -6.593 10.611 -8.895 30 HA ASP 4 HA ASP 4 -6.879 9.071 -11.291 31 HB2 ASP 4 1HB ASP 4 -4.790 11.168 -10.527 32 HB3 ASP 4 2HB ASP 4 -5.130 10.606 -12.160 33 H TYR 5 H TYR 5 -4.597 9.185 -8.631 34 HA TYR 5 HA TYR 5 -2.694 7.252 -9.683 35 HD1 TYR 5 HD1 TYR 5 -3.172 10.653 -8.759 36 HD2 TYR 5 HD2 TYR 5 0.388 8.418 -7.994 37 HE1 TYR 5 HE1 TYR 5 -1.814 12.513 -9.617 38 HE2 TYR 5 HE2 TYR 5 1.740 10.280 -8.851 39 HH TYR 5 HH TYR 5 1.359 12.239 -10.488 40 HB2 TYR 5 1HB TYR 5 -2.948 8.617 -6.956 41 HB3 TYR 5 2HB TYR 5 -1.667 7.481 -7.357 42 H ALA 6 H ALA 6 -5.754 6.886 -8.505 43 HA ALA 6 HA ALA 6 -5.548 4.752 -6.630 44 HB1 ALA 6 3HB ALA 6 -7.888 5.487 -8.429 45 HB2 ALA 6 1HB ALA 6 -7.577 6.148 -6.824 46 HB3 ALA 6 2HB ALA 6 -7.964 4.436 -7.011 47 H ILE 7 H ILE 7 -4.237 3.108 -7.377 48 HA ILE 7 HA ILE 7 -4.616 1.877 -9.978 49 HB ILE 7 HB ILE 7 -2.815 1.023 -7.662 50 HG12 ILE 7 1HG1 ILE 7 -2.200 2.634 -10.195 51 HG13 ILE 7 2HG1 ILE 7 -2.150 3.233 -8.544 52 HG21 ILE 7 1HG2 ILE 7 -1.645 -0.394 -9.318 53 HG22 ILE 7 2HG2 ILE 7 -2.827 0.056 -10.549 54 HG23 ILE 7 3HG2 ILE 7 -3.330 -0.879 -9.141 55 HD11 ILE 7 3HD1 ILE 7 -0.250 1.739 -8.083 56 HD12 ILE 7 1HD1 ILE 7 0.072 2.880 -9.387 57 HD13 ILE 7 2HD1 ILE 7 -0.290 1.197 -9.763 58 H SER 8 H SER 8 -5.808 0.099 -10.401 59 HA SER 8 HA SER 8 -7.369 -1.164 -8.249 60 HG SER 8 HG SER 8 -8.157 0.704 -10.330 61 HB2 SER 8 1HB SER 8 -7.618 -1.357 -11.283 62 HB3 SER 8 2HB SER 8 -8.730 -2.072 -10.114 63 H LEU 9 H LEU 9 -7.473 -3.461 -8.039 64 HA LEU 9 HA LEU 9 -4.977 -4.798 -8.119 65 HG LEU 9 HG LEU 9 -6.485 -7.829 -7.997 66 HB2 LEU 9 1HB LEU 9 -6.595 -5.253 -6.372 67 HB3 LEU 9 2HB LEU 9 -7.788 -5.792 -7.540 68 HD11 LEU 9 1HD1 LEU 9 -4.474 -8.414 -6.684 69 HD12 LEU 9 2HD1 LEU 9 -4.463 -6.791 -5.990 70 HD13 LEU 9 3HD1 LEU 9 -4.210 -7.013 -7.722 71 HD21 LEU 9 3HD2 LEU 9 -8.115 -7.875 -6.149 72 HD22 LEU 9 1HD2 LEU 9 -6.848 -7.403 -5.011 73 HD23 LEU 9 2HD2 LEU 9 -6.762 -8.959 -5.842 74 H GLU 10 H GLU 10 -7.602 -4.696 -10.382 75 HA GLU 10 HA GLU 10 -7.018 -7.028 -11.909 76 HB2 GLU 10 1HB GLU 10 -8.496 -5.997 -13.625 77 HB3 GLU 10 2HB GLU 10 -9.215 -6.003 -12.020 78 HG2 GLU 10 1HG GLU 10 -8.692 -3.628 -11.734 79 HG3 GLU 10 2HG GLU 10 -7.877 -3.599 -13.296 80 H GLU 11 H GLU 11 -5.368 -4.025 -11.716 81 HA GLU 11 HA GLU 11 -3.892 -4.529 -14.230 82 HB2 GLU 11 1HB GLU 11 -3.950 -2.078 -14.722 83 HB3 GLU 11 2HB GLU 11 -5.536 -2.839 -14.785 84 HG2 GLU 11 1HG GLU 11 -6.086 -1.948 -12.560 85 HG3 GLU 11 2HG GLU 11 -4.484 -1.225 -12.438 86 H VAL 12 H VAL 12 -3.519 -4.447 -11.041 87 HA VAL 12 HA VAL 12 -1.252 -2.644 -10.773 88 HB VAL 12 HB VAL 12 -2.877 -3.131 -8.894 89 HG11 VAL 12 1HG1 VAL 12 -1.451 -5.804 -8.692 90 HG12 VAL 12 2HG1 VAL 12 -3.128 -5.552 -9.180 91 HG13 VAL 12 3HG1 VAL 12 -2.622 -5.156 -7.538 92 HG21 VAL 12 3HG2 VAL 12 0.052 -3.648 -8.256 93 HG22 VAL 12 1HG2 VAL 12 -1.184 -3.153 -7.093 94 HG23 VAL 12 2HG2 VAL 12 -0.728 -2.072 -8.409 95 H ASN 13 H ASN 13 0.916 -3.263 -10.511 96 HA ASN 13 HA ASN 13 1.677 -6.120 -10.677 97 HB2 ASN 13 1HB ASN 13 3.102 -3.861 -12.182 98 HB3 ASN 13 2HB ASN 13 3.578 -5.557 -12.167 99 HD21 ASN 13 2HD2 ASN 13 1.270 -3.230 -13.408 100 HD22 ASN 13 1HD2 ASN 13 0.618 -4.248 -14.641 101 H PHE 14 H PHE 14 2.177 -6.217 -8.488 102 HA PHE 14 HA PHE 14 3.101 -4.030 -6.965 103 HD1 PHE 14 HD2 PHE 14 1.569 -3.857 -5.028 104 HD2 PHE 14 HD1 PHE 14 1.022 -7.889 -6.343 105 HE1 PHE 14 HE2 PHE 14 -0.832 -3.717 -4.498 106 HE2 PHE 14 HE1 PHE 14 -1.373 -7.731 -5.810 107 HZ PHE 14 HZ PHE 14 -2.302 -5.649 -4.889 108 HB2 PHE 14 1HB PHE 14 3.204 -7.003 -6.311 109 HB3 PHE 14 2HB PHE 14 3.514 -5.717 -5.146 110 H ASN 15 H ASN 15 4.870 -6.561 -8.638 111 HA ASN 15 HA ASN 15 7.448 -6.080 -7.519 112 HB2 ASN 15 1HB ASN 15 8.312 -7.479 -9.327 113 HB3 ASN 15 2HB ASN 15 6.835 -8.189 -8.687 114 HD21 ASN 15 2HD2 ASN 15 4.894 -8.003 -9.972 115 HD22 ASN 15 1HD2 ASN 15 4.997 -7.796 -11.681 116 H ASP 16 H ASP 16 5.611 -4.354 -9.853 117 HA ASP 16 HA ASP 16 7.745 -2.994 -11.220 118 HB2 ASP 16 1HB ASP 16 5.457 -3.304 -12.219 119 HB3 ASP 16 2HB ASP 16 4.795 -2.264 -10.971 120 H PHE 17 H PHE 17 5.809 -2.419 -8.309 121 HA PHE 17 HA PHE 17 6.961 0.311 -8.012 122 HD1 PHE 17 HD1 PHE 17 4.756 1.375 -9.497 123 HD2 PHE 17 HD2 PHE 17 2.844 -1.744 -7.306 124 HE1 PHE 17 HE1 PHE 17 3.081 1.158 -11.268 125 HE2 PHE 17 HE2 PHE 17 1.173 -1.958 -9.093 126 HZ PHE 17 HZ PHE 17 1.294 -0.521 -11.074 127 HB2 PHE 17 1HB PHE 17 4.630 -0.574 -6.313 128 HB3 PHE 17 2HB PHE 17 5.036 1.022 -6.900 129 H ILE 18 H ILE 18 7.617 0.956 -5.870 130 HA ILE 18 HA ILE 18 8.540 -1.080 -4.017 131 HB ILE 18 HB ILE 18 8.418 1.951 -3.590 132 HG12 ILE 18 1HG1 ILE 18 10.776 0.342 -4.705 133 HG13 ILE 18 2HG1 ILE 18 9.748 1.408 -5.653 134 HG21 ILE 18 1HG2 ILE 18 8.721 0.639 -1.518 135 HG22 ILE 18 2HG2 ILE 18 10.177 1.562 -1.892 136 HG23 ILE 18 3HG2 ILE 18 10.127 -0.170 -2.220 137 HD11 ILE 18 3HD1 ILE 18 11.844 2.472 -5.134 138 HD12 ILE 18 1HD1 ILE 18 11.582 2.235 -3.408 139 HD13 ILE 18 2HD1 ILE 18 10.529 3.320 -4.321 140 H VAL 19 H VAL 19 6.912 -2.097 -2.825 141 HA VAL 19 HA VAL 19 4.349 -0.667 -2.551 142 HB VAL 19 HB VAL 19 4.978 -3.610 -1.989 143 HG11 VAL 19 1HG1 VAL 19 2.296 -2.217 -2.338 144 HG12 VAL 19 2HG1 VAL 19 2.945 -2.863 -0.832 145 HG13 VAL 19 3HG1 VAL 19 2.533 -3.958 -2.151 146 HG21 VAL 19 3HG2 VAL 19 3.963 -4.093 -4.184 147 HG22 VAL 19 1HG2 VAL 19 5.398 -3.081 -4.350 148 HG23 VAL 19 2HG2 VAL 19 3.791 -2.364 -4.498 149 H VAL 20 H VAL 20 3.370 -0.310 -0.617 150 HA VAL 20 HA VAL 20 4.769 -0.949 1.901 151 HB VAL 20 HB VAL 20 3.254 1.629 1.228 152 HG11 VAL 20 1HG1 VAL 20 2.793 0.982 3.549 153 HG12 VAL 20 2HG1 VAL 20 3.833 2.403 3.510 154 HG13 VAL 20 3HG1 VAL 20 4.519 0.819 3.880 155 HG21 VAL 20 3HG2 VAL 20 5.408 2.778 1.596 156 HG22 VAL 20 1HG2 VAL 20 5.540 1.593 0.296 157 HG23 VAL 20 2HG2 VAL 20 6.205 1.231 1.890 158 H ASP 21 H ASP 21 3.533 -2.145 3.208 159 HA ASP 21 HA ASP 21 0.686 -2.560 2.827 160 HB2 ASP 21 1HB ASP 21 2.373 -4.317 3.678 161 HB3 ASP 21 2HB ASP 21 2.486 -3.401 5.175 162 H VAL 22 H VAL 22 -0.503 -0.673 3.276 163 HA VAL 22 HA VAL 22 0.181 0.939 5.657 164 HB VAL 22 HB VAL 22 -1.596 2.574 4.764 165 HG11 VAL 22 1HG1 VAL 22 0.820 3.000 4.508 166 HG12 VAL 22 2HG1 VAL 22 -0.053 3.563 3.084 167 HG13 VAL 22 3HG1 VAL 22 0.855 2.051 3.021 168 HG21 VAL 22 3HG2 VAL 22 -2.196 2.411 2.366 169 HG22 VAL 22 1HG2 VAL 22 -2.797 1.011 3.266 170 HG23 VAL 22 2HG2 VAL 22 -1.360 0.859 2.248 171 H ARG 23 H ARG 23 -0.522 -0.538 7.205 172 HA ARG 23 HA ARG 23 -3.424 -0.583 7.634 173 HE ARG 23 HE ARG 23 -1.863 -4.789 5.190 174 HB2 ARG 23 1HB ARG 23 -1.851 -3.175 7.272 175 HB3 ARG 23 2HB ARG 23 -3.459 -3.092 7.975 176 HG2 ARG 23 1HG ARG 23 -4.276 -2.114 5.776 177 HG3 ARG 23 2HG ARG 23 -2.679 -2.447 5.104 178 HD2 ARG 23 1HD ARG 23 -4.565 -4.534 6.265 179 HD3 ARG 23 2HD ARG 23 -4.363 -4.190 4.546 180 HH11 ARG 23 1HH1 ARG 23 -4.749 -6.469 6.332 181 HH12 ARG 23 2HH1 ARG 23 -3.975 -8.021 6.300 182 HH21 ARG 23 1HH2 ARG 23 -0.907 -6.798 5.164 183 HH22 ARG 23 2HH2 ARG 23 -1.792 -8.204 5.665 184 H GLU 24 H GLU 24 -1.022 -2.782 9.074 185 HA GLU 24 HA GLU 24 -0.570 -1.381 11.486 186 HB2 GLU 24 1HB GLU 24 -3.224 -2.214 11.397 187 HB3 GLU 24 2HB GLU 24 -2.498 -3.613 12.158 188 HG2 GLU 24 1HG GLU 24 -2.330 -0.764 13.203 189 HG3 GLU 24 2HG GLU 24 -3.463 -1.985 13.773 190 H LEU 25 H LEU 25 0.524 -2.837 13.105 191 HA LEU 25 HA LEU 25 2.241 -4.779 12.095 192 HG LEU 25 HG LEU 25 2.244 -6.613 14.851 193 HB2 LEU 25 1HB LEU 25 2.694 -3.664 14.208 194 HB3 LEU 25 2HB LEU 25 1.238 -4.331 14.930 195 HD11 LEU 25 1HD1 LEU 25 3.713 -6.377 12.908 196 HD12 LEU 25 2HD1 LEU 25 4.625 -6.926 14.311 197 HD13 LEU 25 3HD1 LEU 25 4.737 -5.243 13.795 198 HD21 LEU 25 3HD2 LEU 25 4.006 -4.569 16.250 199 HD22 LEU 25 1HD2 LEU 25 3.923 -6.292 16.629 200 HD23 LEU 25 2HD2 LEU 25 2.516 -5.264 16.891 201 H ASP 26 H ASP 26 -0.858 -5.261 13.871 202 HA ASP 26 HA ASP 26 -0.876 -8.064 13.952 203 HB2 ASP 26 1HB ASP 26 -2.430 -6.677 15.285 204 HB3 ASP 26 2HB ASP 26 -3.258 -6.164 13.818 205 H GLU 27 H GLU 27 -2.139 -5.855 11.533 206 HA GLU 27 HA GLU 27 -3.348 -7.643 9.716 207 HB2 GLU 27 1HB GLU 27 -2.065 -4.906 9.356 208 HB3 GLU 27 2HB GLU 27 -2.979 -5.714 8.090 209 HG2 GLU 27 1HG GLU 27 -4.130 -4.997 10.798 210 HG3 GLU 27 2HG GLU 27 -4.245 -3.964 9.374 211 H TYR 28 H TYR 28 -0.044 -6.457 10.014 212 HA TYR 28 HA TYR 28 1.068 -7.593 7.656 213 HD1 TYR 28 HD2 TYR 28 3.746 -6.274 6.901 214 HD2 TYR 28 HD1 TYR 28 4.055 -8.143 10.735 215 HE1 TYR 28 HE2 TYR 28 6.051 -6.946 6.397 216 HE2 TYR 28 HE1 TYR 28 6.350 -8.803 10.223 217 HH TYR 28 HH TYR 28 7.675 -9.270 8.120 218 HB2 TYR 28 1HB TYR 28 2.148 -5.737 8.741 219 HB3 TYR 28 2HB TYR 28 2.238 -6.586 10.269 220 H GLU 29 H GLU 29 0.722 -8.726 10.991 221 HA GLU 29 HA GLU 29 2.479 -10.943 10.936 222 HB2 GLU 29 1HB GLU 29 0.053 -10.446 12.714 223 HB3 GLU 29 2HB GLU 29 1.274 -11.668 13.015 224 HG2 GLU 29 1HG GLU 29 1.806 -8.694 12.964 225 HG3 GLU 29 2HG GLU 29 1.476 -9.615 14.422 226 H GLU 30 H GLU 30 -1.033 -10.676 10.419 227 HA GLU 30 HA GLU 30 -1.512 -13.465 10.075 228 HB2 GLU 30 1HB GLU 30 -3.749 -12.670 9.111 229 HB3 GLU 30 2HB GLU 30 -3.395 -12.200 10.766 230 HG2 GLU 30 1HG GLU 30 -2.779 -9.957 10.010 231 HG3 GLU 30 2HG GLU 30 -3.058 -10.427 8.339 232 H LEU 31 H LEU 31 -0.851 -10.834 7.763 233 HA LEU 31 HA LEU 31 0.345 -12.506 5.849 234 HG LEU 31 HG LEU 31 -3.699 -12.132 4.352 235 HB2 LEU 31 1HB LEU 31 -1.185 -12.666 4.044 236 HB3 LEU 31 2HB LEU 31 -2.013 -13.255 5.458 237 HD11 LEU 31 1HD1 LEU 31 -4.298 -10.062 5.486 238 HD12 LEU 31 2HD1 LEU 31 -2.659 -9.920 6.126 239 HD13 LEU 31 3HD1 LEU 31 -3.687 -11.267 6.619 240 HD21 LEU 31 3HD2 LEU 31 -1.844 -9.880 3.580 241 HD22 LEU 31 1HD2 LEU 31 -3.540 -10.049 3.131 242 HD23 LEU 31 2HD2 LEU 31 -2.360 -11.214 2.543 243 H HIS 32 H HIS 32 1.115 -11.338 3.934 244 HA HIS 32 HA HIS 32 0.314 -8.702 3.253 245 HD1 HIS 32 HD1 HIS 32 2.987 -10.655 5.711 246 HD2 HIS 32 HD2 HIS 32 4.947 -7.507 3.835 247 HE1 HIS 32 HE1 HIS 32 5.429 -11.240 5.732 248 HE2 HIS 32 HE2 HIS 32 6.592 -9.238 4.797 249 HB2 HIS 32 1HB HIS 32 2.245 -7.356 3.912 250 HB3 HIS 32 2HB HIS 32 1.629 -8.143 5.364 251 H LEU 33 H LEU 33 2.005 -7.743 1.609 252 HA LEU 33 HA LEU 33 2.816 -9.810 -0.267 253 HG LEU 33 HG LEU 33 0.714 -7.953 -0.748 254 HB2 LEU 33 1HB LEU 33 2.970 -6.779 -0.299 255 HB3 LEU 33 2HB LEU 33 3.609 -7.758 -1.609 256 HD11 LEU 33 1HD1 LEU 33 1.117 -5.621 -1.319 257 HD12 LEU 33 2HD1 LEU 33 0.151 -6.399 -2.570 258 HD13 LEU 33 3HD1 LEU 33 1.867 -6.097 -2.844 259 HD21 LEU 33 3HD2 LEU 33 0.390 -8.854 -3.031 260 HD22 LEU 33 1HD2 LEU 33 1.534 -9.828 -2.110 261 HD23 LEU 33 2HD2 LEU 33 2.121 -8.707 -3.340 262 HA PRO 34 HA PRO 34 7.099 -10.017 1.072 263 HB2 PRO 34 1HB PRO 34 8.311 -11.004 -1.170 264 HB3 PRO 34 2HB PRO 34 7.203 -11.977 -0.196 265 HG2 PRO 34 1HG PRO 34 6.646 -10.468 -2.748 266 HG3 PRO 34 2HG PRO 34 6.184 -12.139 -2.317 267 HD2 PRO 34 1HD PRO 34 4.460 -10.026 -2.102 268 HD3 PRO 34 2HD PRO 34 4.390 -11.418 -1.003 269 H ASN 35 H ASN 35 6.025 -7.863 -1.355 270 HA ASN 35 HA ASN 35 8.568 -6.347 -1.456 271 HB2 ASN 35 1HB ASN 35 6.102 -6.165 -3.258 272 HB3 ASN 35 2HB ASN 35 7.571 -5.211 -3.447 273 HD21 ASN 35 2HD2 ASN 35 6.159 -8.393 -3.773 274 HD22 ASN 35 1HD2 ASN 35 7.412 -9.064 -4.750 275 H ALA 36 H ALA 36 6.070 -6.435 0.554 276 HA ALA 36 HA ALA 36 5.284 -3.592 0.491 277 HB1 ALA 36 3HB ALA 36 3.449 -5.226 0.493 278 HB2 ALA 36 1HB ALA 36 3.419 -4.235 1.952 279 HB3 ALA 36 2HB ALA 36 4.028 -5.893 2.018 280 H THR 37 H THR 37 6.064 -2.204 1.912 281 HA THR 37 HA THR 37 7.709 -2.963 4.187 282 HB THR 37 HB THR 37 6.835 -0.217 3.152 283 HG1 THR 37 HG1 THR 37 8.137 -1.548 1.703 284 HG21 THR 37 3HG2 THR 37 9.094 -0.921 5.078 285 HG22 THR 37 1HG2 THR 37 7.594 -0.089 5.507 286 HG23 THR 37 2HG2 THR 37 8.755 0.684 4.428 287 H LEU 38 H LEU 38 6.977 -3.032 6.294 288 HA LEU 38 HA LEU 38 4.203 -2.661 6.949 289 HG LEU 38 HG LEU 38 3.858 -4.470 9.051 290 HB2 LEU 38 1HB LEU 38 6.022 -4.221 8.079 291 HB3 LEU 38 2HB LEU 38 6.403 -2.811 9.039 292 HD11 LEU 38 1HD1 LEU 38 5.771 -3.711 11.274 293 HD12 LEU 38 2HD1 LEU 38 5.678 -5.272 10.455 294 HD13 LEU 38 3HD1 LEU 38 4.330 -4.721 11.443 295 HD21 LEU 38 3HD2 LEU 38 4.131 -1.790 10.442 296 HD22 LEU 38 1HD2 LEU 38 2.805 -2.940 10.654 297 HD23 LEU 38 2HD2 LEU 38 3.054 -2.159 9.095 298 H ILE 39 H ILE 39 3.597 -0.535 6.594 299 HA ILE 39 HA ILE 39 4.398 1.300 8.774 300 HB ILE 39 HB ILE 39 3.756 2.188 5.912 301 HG12 ILE 39 1HG1 ILE 39 6.355 2.510 7.491 302 HG13 ILE 39 2HG1 ILE 39 6.100 1.321 6.225 303 HG21 ILE 39 1HG2 ILE 39 4.135 4.501 6.722 304 HG22 ILE 39 2HG2 ILE 39 4.359 3.898 8.363 305 HG23 ILE 39 3HG2 ILE 39 2.789 3.745 7.573 306 HD11 ILE 39 3HD1 ILE 39 6.134 4.316 5.899 307 HD12 ILE 39 1HD1 ILE 39 5.802 3.162 4.605 308 HD13 ILE 39 2HD1 ILE 39 7.380 3.177 5.390 309 H SER 40 H SER 40 2.663 1.890 9.935 310 HA SER 40 HA SER 40 0.031 0.909 9.211 311 HG SER 40 HG SER 40 1.754 0.389 11.326 312 HB2 SER 40 1HB SER 40 0.867 2.634 11.583 313 HB3 SER 40 2HB SER 40 -0.691 1.824 11.388 314 H VAL 41 H VAL 41 -1.655 2.106 8.413 315 HA VAL 41 HA VAL 41 -1.499 4.482 7.072 316 HB VAL 41 HB VAL 41 -3.418 2.905 6.953 317 HG11 VAL 41 1HG1 VAL 41 -5.211 2.916 8.641 318 HG12 VAL 41 2HG1 VAL 41 -4.289 4.045 9.633 319 HG13 VAL 41 3HG1 VAL 41 -3.672 2.418 9.348 320 HG21 VAL 41 3HG2 VAL 41 -4.276 5.766 7.572 321 HG22 VAL 41 1HG2 VAL 41 -5.249 4.576 6.704 322 HG23 VAL 41 2HG2 VAL 41 -3.735 5.153 6.011 323 H ASN 42 H ASN 42 -1.795 4.052 10.525 324 HA ASN 42 HA ASN 42 -2.602 6.683 11.281 325 HB2 ASN 42 1HB ASN 42 -1.142 4.608 12.980 326 HB3 ASN 42 2HB ASN 42 -2.096 5.970 13.571 327 HD21 ASN 42 2HD2 ASN 42 -2.200 2.756 12.251 328 HD22 ASN 42 1HD2 ASN 42 -3.892 2.500 12.481 329 H ASP 43 H ASP 43 0.519 5.143 10.711 330 HA ASP 43 HA ASP 43 2.131 7.210 11.922 331 HB2 ASP 43 1HB ASP 43 2.832 4.805 10.193 332 HB3 ASP 43 2HB ASP 43 4.048 5.966 10.709 333 H GLN 44 H GLN 44 1.320 9.075 10.858 334 HA GLN 44 HA GLN 44 1.816 9.579 8.082 335 HB2 GLN 44 1HB GLN 44 1.271 11.388 10.464 336 HB3 GLN 44 2HB GLN 44 1.815 12.087 8.945 337 HG2 GLN 44 1HG GLN 44 -0.563 12.268 9.002 338 HG3 GLN 44 2HG GLN 44 -0.151 11.046 7.807 339 HE21 GLN 44 2HE2 GLN 44 -0.664 8.861 8.252 340 HE22 GLN 44 1HE2 GLN 44 -1.782 8.426 9.493 341 H GLU 45 H GLU 45 3.694 9.905 11.066 342 HA GLU 45 HA GLU 45 5.852 11.411 10.061 343 HB2 GLU 45 1HB GLU 45 7.114 10.578 12.058 344 HB3 GLU 45 2HB GLU 45 5.533 11.237 12.452 345 HG2 GLU 45 1HG GLU 45 4.611 9.015 12.770 346 HG3 GLU 45 2HG GLU 45 6.093 8.270 12.173 347 H LYS 46 H LYS 46 5.369 7.897 10.210 348 HA LYS 46 HA LYS 46 8.026 7.258 9.270 349 HB2 LYS 46 1HB LYS 46 6.864 5.799 10.887 350 HB3 LYS 46 2HB LYS 46 5.593 5.485 9.719 351 HG2 LYS 46 1HG LYS 46 7.021 3.556 9.844 352 HG3 LYS 46 2HG LYS 46 7.251 4.304 8.271 353 HD2 LYS 46 1HD LYS 46 9.165 5.003 10.501 354 HD3 LYS 46 2HD LYS 46 9.318 3.433 9.721 355 HE2 LYS 46 1HE LYS 46 9.636 4.517 7.545 356 HE3 LYS 46 2HE LYS 46 9.425 6.106 8.282 357 HZ1 LYS 46 3HZ LYS 46 11.610 4.183 8.888 358 HZ2 LYS 46 1HZ LYS 46 11.407 5.700 9.610 359 HZ3 LYS 46 2HZ LYS 46 11.753 5.588 7.960 360 H LEU 47 H LEU 47 4.746 7.248 7.901 361 HA LEU 47 HA LEU 47 5.383 6.051 5.418 362 HG LEU 47 HG LEU 47 3.287 7.478 3.588 363 HB2 LEU 47 1HB LEU 47 3.090 6.300 6.393 364 HB3 LEU 47 2HB LEU 47 3.147 8.008 6.026 365 HD11 LEU 47 1HD1 LEU 47 2.942 4.582 4.449 366 HD12 LEU 47 2HD1 LEU 47 4.371 5.281 3.684 367 HD13 LEU 47 3HD1 LEU 47 2.857 5.181 2.790 368 HD21 LEU 47 3HD2 LEU 47 1.104 7.907 4.652 369 HD22 LEU 47 1HD2 LEU 47 0.922 6.181 4.979 370 HD23 LEU 47 2HD2 LEU 47 0.963 6.768 3.315 371 H ALA 48 H ALA 48 5.058 9.450 6.383 372 HA ALA 48 HA ALA 48 5.661 10.633 3.877 373 HB1 ALA 48 3HB ALA 48 5.897 12.714 5.149 374 HB2 ALA 48 1HB ALA 48 5.919 11.802 6.661 375 HB3 ALA 48 2HB ALA 48 4.464 11.816 5.662 376 H ASP 49 H ASP 49 7.666 9.700 6.670 377 HA ASP 49 HA ASP 49 10.140 10.757 5.887 378 HB2 ASP 49 1HB ASP 49 9.847 9.781 8.108 379 HB3 ASP 49 2HB ASP 49 9.505 8.199 7.419 380 H PHE 50 H PHE 50 8.722 7.565 5.208 381 HA PHE 50 HA PHE 50 10.782 6.430 3.685 382 HD1 PHE 50 HD1 PHE 50 10.626 3.592 4.066 383 HD2 PHE 50 HD2 PHE 50 7.679 4.878 1.240 384 HE1 PHE 50 HE1 PHE 50 11.139 1.652 2.639 385 HE2 PHE 50 HE2 PHE 50 8.203 2.934 -0.178 386 HZ PHE 50 HZ PHE 50 9.931 1.323 0.520 387 HB2 PHE 50 1HB PHE 50 8.804 5.228 4.690 388 HB3 PHE 50 2HB PHE 50 7.782 5.914 3.435 389 H LEU 51 H LEU 51 8.112 8.523 2.764 390 HA LEU 51 HA LEU 51 8.610 8.405 -0.080 391 HG LEU 51 HG LEU 51 6.029 7.972 1.733 392 HB2 LEU 51 1HB LEU 51 6.867 10.306 1.526 393 HB3 LEU 51 2HB LEU 51 6.862 10.149 -0.226 394 HD11 LEU 51 1HD1 LEU 51 3.754 8.348 0.919 395 HD12 LEU 51 2HD1 LEU 51 4.325 9.684 -0.085 396 HD13 LEU 51 3HD1 LEU 51 4.419 9.796 1.673 397 HD21 LEU 51 3HD2 LEU 51 6.984 6.983 -0.296 398 HD22 LEU 51 1HD2 LEU 51 5.910 7.960 -1.299 399 HD23 LEU 51 2HD2 LEU 51 5.244 6.721 -0.234 400 H SER 52 H SER 52 9.648 10.425 2.579 401 HA SER 52 HA SER 52 10.597 12.649 1.013 402 HG SER 52 HG SER 52 11.719 14.193 2.353 403 HB2 SER 52 1HB SER 52 9.845 12.945 3.358 404 HB3 SER 52 2HB SER 52 11.161 11.916 3.922 405 H GLN 53 H GLN 53 11.857 9.566 1.916 406 HA GLN 53 HA GLN 53 14.651 10.133 1.921 407 HB2 GLN 53 1HB GLN 53 13.146 7.518 1.515 408 HB3 GLN 53 2HB GLN 53 14.896 7.617 1.673 409 HG2 GLN 53 1HG GLN 53 12.859 8.384 3.777 410 HG3 GLN 53 2HG GLN 53 13.883 6.957 3.785 411 HE21 GLN 53 2HE2 GLN 53 13.616 9.169 5.736 412 HE22 GLN 53 1HE2 GLN 53 15.211 9.796 5.952 413 H HIS 54 H HIS 54 12.551 10.271 -0.671 414 HA HIS 54 HA HIS 54 14.691 10.357 -2.597 415 HD1 HIS 54 HD1 HIS 54 15.652 7.386 -1.837 416 HD2 HIS 54 HD2 HIS 54 14.676 8.081 -5.813 417 HE1 HIS 54 HE1 HIS 54 17.542 6.424 -3.171 418 HE2 HIS 54 HE2 HIS 54 16.973 6.930 -5.573 419 HB2 HIS 54 1HB HIS 54 13.055 7.929 -2.371 420 HB3 HIS 54 2HB HIS 54 12.768 8.664 -3.934 421 H LYS 55 H LYS 55 11.204 10.305 -2.120 422 HA LYS 55 HA LYS 55 9.434 11.383 -2.901 423 HB2 LYS 55 1HB LYS 55 11.462 13.460 -3.743 424 HB3 LYS 55 2HB LYS 55 9.756 13.629 -4.135 425 HG2 LYS 55 1HG LYS 55 9.294 13.417 -1.623 426 HG3 LYS 55 2HG LYS 55 11.037 13.594 -1.394 427 HD2 LYS 55 1HD LYS 55 9.879 15.760 -1.137 428 HD3 LYS 55 2HD LYS 55 10.983 15.796 -2.516 429 HE2 LYS 55 1HE LYS 55 9.023 15.359 -4.020 430 HE3 LYS 55 2HE LYS 55 7.966 15.451 -2.611 431 HZ1 LYS 55 3HZ LYS 55 8.757 17.737 -2.271 432 HZ2 LYS 55 1HZ LYS 55 7.979 17.532 -3.760 433 HZ3 LYS 55 2HZ LYS 55 9.665 17.629 -3.693 434 H ASP 56 H ASP 56 11.944 11.642 -5.421 435 HA ASP 56 HA ASP 56 10.121 10.882 -7.528 436 HB2 ASP 56 1HB ASP 56 12.030 12.511 -7.859 437 HB3 ASP 56 2HB ASP 56 13.160 11.182 -7.625 438 H LYS 57 H LYS 57 9.486 8.901 -6.466 439 HA LYS 57 HA LYS 57 10.741 6.607 -7.679 440 HB2 LYS 57 1HB LYS 57 11.169 5.279 -5.730 441 HB3 LYS 57 2HB LYS 57 11.924 6.829 -5.395 442 HG2 LYS 57 1HG LYS 57 9.235 5.931 -4.318 443 HG3 LYS 57 2HG LYS 57 10.754 5.860 -3.426 444 HD2 LYS 57 1HD LYS 57 10.869 8.197 -3.188 445 HD3 LYS 57 2HD LYS 57 9.808 8.488 -4.553 446 HE2 LYS 57 1HE LYS 57 8.840 7.266 -1.965 447 HE3 LYS 57 2HE LYS 57 8.823 9.003 -2.290 448 HZ1 LYS 57 3HZ LYS 57 7.391 8.637 -4.170 449 HZ2 LYS 57 1HZ LYS 57 6.700 7.925 -2.801 450 HZ3 LYS 57 2HZ LYS 57 7.461 6.963 -3.964 451 H LYS 58 H LYS 58 9.250 4.774 -7.649 452 HA LYS 58 HA LYS 58 6.451 5.680 -7.709 453 HB2 LYS 58 1HB LYS 58 7.708 4.624 -9.675 454 HB3 LYS 58 2HB LYS 58 7.604 3.095 -8.794 455 HG2 LYS 58 1HG LYS 58 5.257 3.008 -8.983 456 HG3 LYS 58 2HG LYS 58 5.130 4.721 -9.394 457 HD2 LYS 58 1HD LYS 58 4.774 3.240 -11.353 458 HD3 LYS 58 2HD LYS 58 6.136 4.340 -11.557 459 HE2 LYS 58 1HE LYS 58 7.710 2.520 -11.042 460 HE3 LYS 58 2HE LYS 58 6.362 1.416 -10.753 461 HZ1 LYS 58 3HZ LYS 58 7.344 1.127 -12.952 462 HZ2 LYS 58 1HZ LYS 58 6.966 2.730 -13.349 463 HZ3 LYS 58 2HZ LYS 58 5.733 1.613 -13.054 464 H VAL 59 H VAL 59 5.724 5.474 -5.562 465 HA VAL 59 HA VAL 59 5.990 2.822 -4.248 466 HB VAL 59 HB VAL 59 5.471 5.561 -2.996 467 HG11 VAL 59 1HG1 VAL 59 4.155 3.887 -1.767 468 HG12 VAL 59 2HG1 VAL 59 5.516 4.425 -0.786 469 HG13 VAL 59 3HG1 VAL 59 5.577 2.856 -1.595 470 HG21 VAL 59 3HG2 VAL 59 7.640 5.137 -1.839 471 HG22 VAL 59 1HG2 VAL 59 7.811 5.194 -3.593 472 HG23 VAL 59 2HG2 VAL 59 7.824 3.637 -2.757 473 H LEU 60 H LEU 60 4.273 1.660 -3.749 474 HA LEU 60 HA LEU 60 1.547 2.631 -4.413 475 HG LEU 60 HG LEU 60 0.773 -0.659 -6.204 476 HB2 LEU 60 1HB LEU 60 2.451 0.980 -6.010 477 HB3 LEU 60 2HB LEU 60 2.821 -0.130 -4.712 478 HD11 LEU 60 1HD1 LEU 60 -0.479 -1.691 -4.447 479 HD12 LEU 60 2HD1 LEU 60 0.203 -0.603 -3.238 480 HD13 LEU 60 3HD1 LEU 60 1.231 -1.793 -4.038 481 HD21 LEU 60 3HD2 LEU 60 -1.323 0.435 -5.718 482 HD22 LEU 60 1HD2 LEU 60 -0.144 1.625 -6.261 483 HD23 LEU 60 2HD2 LEU 60 -0.544 1.498 -4.546 484 H LEU 61 H LEU 61 0.294 2.820 -2.621 485 HA LEU 61 HA LEU 61 1.001 1.427 -0.114 486 HG LEU 61 HG LEU 61 1.002 4.686 -1.141 487 HB2 LEU 61 1HB LEU 61 -1.096 3.595 -0.534 488 HB3 LEU 61 2HB LEU 61 -0.425 3.053 0.989 489 HD11 LEU 61 1HD1 LEU 61 0.196 5.425 1.692 490 HD12 LEU 61 2HD1 LEU 61 -0.590 5.985 0.215 491 HD13 LEU 61 3HD1 LEU 61 1.072 6.457 0.557 492 HD21 LEU 61 3HD2 LEU 61 2.927 4.776 0.396 493 HD22 LEU 61 1HD2 LEU 61 2.608 3.133 -0.155 494 HD23 LEU 61 2HD2 LEU 61 2.126 3.627 1.469 495 H HIS 62 H HIS 62 0.085 -0.662 -0.204 496 HA HIS 62 HA HIS 62 -2.609 -0.969 -1.350 497 HD1 HIS 62 HD1 HIS 62 -2.452 -4.948 0.210 498 HD2 HIS 62 HD2 HIS 62 1.232 -3.052 0.288 499 HE1 HIS 62 HE1 HIS 62 -1.058 -6.256 1.829 500 HE2 HIS 62 HE2 HIS 62 1.030 -4.897 2.073 501 HB2 HIS 62 1HB HIS 62 -2.200 -3.256 -1.638 502 HB3 HIS 62 2HB HIS 62 -0.613 -2.552 -1.900 503 H CYS 63 H CYS 63 -4.393 -1.592 -0.266 504 HA CYS 63 HA CYS 63 -4.274 -1.830 2.708 505 HG CYS 63 HG CYS 63 -6.575 -0.702 4.306 506 HB2 CYS 63 1HB CYS 63 -5.313 0.255 2.098 507 HB3 CYS 63 2HB CYS 63 -6.358 -0.532 0.912 508 H ARG 64 H ARG 64 -5.947 -3.164 3.712 509 HA ARG 64 HA ARG 64 -6.241 -5.717 2.636 510 HE ARG 64 HE ARG 64 -9.161 -5.753 6.781 511 HB2 ARG 64 1HB ARG 64 -6.400 -5.314 5.050 512 HB3 ARG 64 2HB ARG 64 -7.923 -4.453 4.836 513 HG2 ARG 64 1HG ARG 64 -9.130 -6.410 4.403 514 HG3 ARG 64 2HG ARG 64 -7.712 -7.286 3.832 515 HD2 ARG 64 1HD ARG 64 -8.256 -8.273 5.885 516 HD3 ARG 64 2HD ARG 64 -6.881 -7.229 6.231 517 HH11 ARG 64 1HH1 ARG 64 -7.549 -8.617 8.028 518 HH12 ARG 64 2HH1 ARG 64 -8.278 -8.482 9.594 519 HH21 ARG 64 1HH2 ARG 64 -10.111 -5.608 8.855 520 HH22 ARG 64 2HH2 ARG 64 -9.704 -6.778 10.072 521 H ALA 65 H ALA 65 -8.594 -3.073 2.686 522 HA ALA 65 HA ALA 65 -10.057 -4.406 0.463 523 HB1 ALA 65 3HB ALA 65 -11.465 -4.135 2.455 524 HB2 ALA 65 1HB ALA 65 -12.045 -3.120 1.133 525 HB3 ALA 65 2HB ALA 65 -11.141 -2.403 2.468 526 H GLY 66 H GLY 66 -9.403 -1.039 1.704 527 HA2 GLY 66 1HA GLY 66 -8.063 -0.105 -0.531 528 HA3 GLY 66 2HA GLY 66 -9.763 0.119 -0.903 529 H ARG 67 H ARG 67 -10.131 0.640 2.177 530 HA ARG 67 HA ARG 67 -10.238 3.446 1.886 531 HE ARG 67 HE ARG 67 -10.409 6.233 5.521 532 HB2 ARG 67 1HB ARG 67 -11.803 2.411 3.415 533 HB3 ARG 67 2HB ARG 67 -10.498 1.755 4.396 534 HG2 ARG 67 1HG ARG 67 -11.548 3.689 5.500 535 HG3 ARG 67 2HG ARG 67 -9.856 4.009 5.124 536 HD2 ARG 67 1HD ARG 67 -10.781 5.146 2.954 537 HD3 ARG 67 2HD ARG 67 -12.328 5.156 3.807 538 HH11 ARG 67 1HH1 ARG 67 -11.923 7.112 2.470 539 HH12 ARG 67 2HH1 ARG 67 -11.672 8.811 2.714 540 HH21 ARG 67 1HH2 ARG 67 -10.043 8.452 5.785 541 HH22 ARG 67 2HH2 ARG 67 -10.617 9.567 4.583 542 H ARG 68 H ARG 68 -7.987 1.434 3.845 543 HA ARG 68 HA ARG 68 -6.645 3.672 5.011 544 HE ARG 68 HE ARG 68 -8.665 0.521 8.034 545 HB2 ARG 68 1HB ARG 68 -5.495 0.871 4.702 546 HB3 ARG 68 2HB ARG 68 -5.035 2.084 5.892 547 HG2 ARG 68 1HG ARG 68 -7.658 0.584 5.746 548 HG3 ARG 68 2HG ARG 68 -6.377 0.360 6.925 549 HD2 ARG 68 1HD ARG 68 -6.796 2.649 7.804 550 HD3 ARG 68 2HD ARG 68 -8.099 2.850 6.628 551 HH11 ARG 68 1HH1 ARG 68 -8.389 3.933 8.872 552 HH12 ARG 68 2HH1 ARG 68 -9.535 3.820 10.169 553 HH21 ARG 68 1HH2 ARG 68 -10.180 0.410 9.722 554 HH22 ARG 68 2HH2 ARG 68 -10.539 1.830 10.655 555 H ALA 69 H ALA 69 -6.238 1.932 2.053 556 HA ALA 69 HA ALA 69 -3.712 2.820 1.172 557 HB1 ALA 69 3HB ALA 69 -4.563 2.302 -1.098 558 HB2 ALA 69 1HB ALA 69 -6.203 2.182 -0.463 559 HB3 ALA 69 2HB ALA 69 -4.969 1.026 0.041 560 H LEU 70 H LEU 70 -6.972 4.080 0.493 561 HA LEU 70 HA LEU 70 -6.292 6.448 -0.813 562 HG LEU 70 HG LEU 70 -8.587 8.240 0.533 563 HB2 LEU 70 1HB LEU 70 -8.555 5.539 -0.875 564 HB3 LEU 70 2HB LEU 70 -8.723 5.733 0.862 565 HD11 LEU 70 1HD1 LEU 70 -8.853 7.585 -2.414 566 HD12 LEU 70 2HD1 LEU 70 -7.452 8.320 -1.631 567 HD13 LEU 70 3HD1 LEU 70 -8.982 9.191 -1.688 568 HD21 LEU 70 3HD2 LEU 70 -10.892 8.501 -0.238 569 HD22 LEU 70 1HD2 LEU 70 -10.746 7.128 0.855 570 HD23 LEU 70 2HD2 LEU 70 -10.883 6.860 -0.885 571 H ASP 71 H ASP 71 -7.220 6.023 2.607 572 HA ASP 71 HA ASP 71 -7.167 8.640 3.482 573 HB2 ASP 71 1HB ASP 71 -8.149 6.709 4.719 574 HB3 ASP 71 2HB ASP 71 -6.533 6.121 5.088 575 H ALA 72 H ALA 72 -4.549 6.241 3.642 576 HA ALA 72 HA ALA 72 -2.568 7.829 4.874 577 HB1 ALA 72 3HB ALA 72 -2.478 5.370 4.717 578 HB2 ALA 72 1HB ALA 72 -1.010 6.105 4.076 579 HB3 ALA 72 2HB ALA 72 -2.235 5.481 2.973 580 H ALA 73 H ALA 73 -3.185 7.099 1.442 581 HA ALA 73 HA ALA 73 -1.072 8.668 0.383 582 HB1 ALA 73 3HB ALA 73 -2.077 6.781 -0.842 583 HB2 ALA 73 1HB ALA 73 -2.122 8.268 -1.793 584 HB3 ALA 73 2HB ALA 73 -3.587 7.681 -0.999 585 H LYS 74 H LYS 74 -4.361 9.520 1.384 586 HA LYS 74 HA LYS 74 -4.629 11.935 -0.121 587 HB2 LYS 74 1HB LYS 74 -5.924 11.350 2.579 588 HB3 LYS 74 2HB LYS 74 -6.368 12.641 1.473 589 HG2 LYS 74 1HG LYS 74 -6.753 10.496 -0.153 590 HG3 LYS 74 2HG LYS 74 -7.049 9.742 1.407 591 HD2 LYS 74 1HD LYS 74 -9.193 10.439 0.759 592 HD3 LYS 74 2HD LYS 74 -8.679 11.751 1.822 593 HE2 LYS 74 1HE LYS 74 -7.976 13.043 -0.210 594 HE3 LYS 74 2HE LYS 74 -8.625 11.748 -1.219 595 HZ1 LYS 74 3HZ LYS 74 -10.188 13.417 0.681 596 HZ2 LYS 74 1HZ LYS 74 -10.816 12.192 -0.300 597 HZ3 LYS 74 2HZ LYS 74 -10.164 13.587 -1.003 598 H SER 75 H SER 75 -3.730 11.282 3.255 599 HA SER 75 HA SER 75 -3.076 13.793 4.163 600 HG SER 75 HG SER 75 -3.406 10.560 5.516 601 HB2 SER 75 1HB SER 75 -1.541 11.249 4.868 602 HB3 SER 75 2HB SER 75 -1.735 12.689 5.874 603 H MET 76 H MET 76 -0.987 11.505 2.409 604 HA MET 76 HA MET 76 1.363 13.150 2.525 605 HB2 MET 76 1HB MET 76 0.674 10.578 1.089 606 HB3 MET 76 2HB MET 76 2.215 11.395 0.808 607 HG2 MET 76 1HG MET 76 2.326 9.609 2.546 608 HG3 MET 76 2HG MET 76 2.842 11.199 3.113 609 HE1 MET 76 3HE MET 76 2.525 9.584 5.468 610 HE2 MET 76 1HE MET 76 1.270 10.338 6.447 611 HE3 MET 76 2HE MET 76 2.452 11.339 5.612 612 H HIS 77 H HIS 77 -1.095 12.644 -0.012 613 HA HIS 77 HA HIS 77 0.117 14.335 -1.937 614 HD1 HIS 77 HD1 HIS 77 -1.711 13.975 -4.994 615 HD2 HIS 77 HD2 HIS 77 -1.105 10.872 -2.294 616 HE1 HIS 77 HE1 HIS 77 -1.038 11.994 -6.382 617 HE2 HIS 77 HE2 HIS 77 -0.762 10.110 -4.731 618 HB2 HIS 77 1HB HIS 77 -2.672 13.283 -1.554 619 HB3 HIS 77 2HB HIS 77 -2.441 14.608 -2.683 620 H GLU 78 H GLU 78 -1.777 15.043 0.936 621 HA GLU 78 HA GLU 78 -2.101 17.859 0.407 622 HB2 GLU 78 1HB GLU 78 -2.256 16.428 3.095 623 HB3 GLU 78 2HB GLU 78 -2.946 17.999 2.693 624 HG2 GLU 78 1HG GLU 78 -3.799 15.343 1.532 625 HG3 GLU 78 2HG GLU 78 -4.644 16.194 2.795 626 H LEU 79 H LEU 79 0.301 15.813 2.029 627 HA LEU 79 HA LEU 79 1.836 17.920 3.223 628 HG LEU 79 HG LEU 79 0.992 14.864 4.111 629 HB2 LEU 79 1HB LEU 79 2.745 15.111 2.474 630 HB3 LEU 79 2HB LEU 79 3.628 16.221 3.513 631 HD11 LEU 79 1HD1 LEU 79 3.680 14.547 5.446 632 HD12 LEU 79 2HD1 LEU 79 2.902 13.388 4.368 633 HD13 LEU 79 3HD1 LEU 79 2.180 13.753 5.932 634 HD21 LEU 79 3HD2 LEU 79 1.047 15.930 6.338 635 HD22 LEU 79 1HD2 LEU 79 0.866 17.111 5.043 636 HD23 LEU 79 2HD2 LEU 79 2.429 16.902 5.832 637 H GLY 80 H GLY 80 1.751 16.436 0.065 638 HA2 GLY 80 1HA GLY 80 2.509 18.062 -1.694 639 HA3 GLY 80 2HA GLY 80 4.047 18.094 -0.850 640 H TYR 81 H TYR 81 3.426 15.013 -0.393 641 HA TYR 81 HA TYR 81 5.036 14.090 -2.611 642 HD1 TYR 81 HD1 TYR 81 7.178 13.173 -1.010 643 HD2 TYR 81 HD2 TYR 81 3.750 13.149 1.552 644 HE1 TYR 81 HE1 TYR 81 8.588 13.788 0.900 645 HE2 TYR 81 HE2 TYR 81 5.177 13.763 3.453 646 HH TYR 81 HH TYR 81 8.317 14.889 3.104 647 HB2 TYR 81 1HB TYR 81 3.528 12.326 -0.640 648 HB3 TYR 81 2HB TYR 81 4.953 11.901 -1.584 649 H THR 82 H THR 82 4.286 12.067 -3.867 650 HA THR 82 HA THR 82 1.396 12.070 -4.489 651 HB THR 82 HB THR 82 2.048 11.833 -6.986 652 HG1 THR 82 HG1 THR 82 4.172 12.989 -7.367 653 HG21 THR 82 3HG2 THR 82 2.660 14.523 -5.705 654 HG22 THR 82 1HG2 THR 82 1.052 13.938 -6.148 655 HG23 THR 82 2HG2 THR 82 2.253 14.252 -7.401 656 HA PRO 83 HA PRO 83 3.078 7.659 -4.271 657 HB2 PRO 83 1HB PRO 83 1.777 6.766 -2.059 658 HB3 PRO 83 2HB PRO 83 3.331 7.606 -1.939 659 HG2 PRO 83 1HG PRO 83 0.547 8.710 -1.542 660 HG3 PRO 83 2HG PRO 83 1.999 8.941 -0.541 661 HD2 PRO 83 1HD PRO 83 1.177 10.791 -2.372 662 HD3 PRO 83 2HD PRO 83 2.884 10.551 -1.955 663 H TYR 84 H TYR 84 1.908 6.001 -5.145 664 HA TYR 84 HA TYR 84 -0.890 6.333 -5.895 665 HD1 TYR 84 HD1 TYR 84 2.958 5.331 -6.972 666 HD2 TYR 84 HD2 TYR 84 -0.779 5.571 -9.042 667 HE1 TYR 84 HE1 TYR 84 4.078 6.411 -8.882 668 HE2 TYR 84 HE2 TYR 84 0.344 6.647 -10.940 669 HH TYR 84 HH TYR 84 3.655 6.632 -11.358 670 HB2 TYR 84 1HB TYR 84 0.983 3.938 -6.280 671 HB3 TYR 84 2HB TYR 84 -0.581 4.165 -7.060 672 H TYR 85 H TYR 85 -2.340 4.341 -5.476 673 HA TYR 85 HA TYR 85 -1.759 2.863 -3.040 674 HD1 TYR 85 HD1 TYR 85 -3.391 6.669 -3.905 675 HD2 TYR 85 HD2 TYR 85 -6.008 3.550 -2.607 676 HE1 TYR 85 HE1 TYR 85 -5.319 7.903 -4.776 677 HE2 TYR 85 HE2 TYR 85 -7.927 4.795 -3.491 678 HH TYR 85 HH TYR 85 -8.562 7.029 -4.076 679 HB2 TYR 85 1HB TYR 85 -3.706 3.628 -1.799 680 HB3 TYR 85 2HB TYR 85 -2.672 4.989 -2.171 681 H LEU 86 H LEU 86 -2.902 0.978 -2.879 682 HA LEU 86 HA LEU 86 -4.308 0.132 -5.312 683 HG LEU 86 HG LEU 86 -2.743 -3.269 -5.085 684 HB2 LEU 86 1HB LEU 86 -2.206 -1.032 -4.600 685 HB3 LEU 86 2HB LEU 86 -3.017 -1.591 -3.159 686 HD11 LEU 86 1HD1 LEU 86 -5.579 -2.863 -4.116 687 HD12 LEU 86 2HD1 LEU 86 -4.305 -3.736 -3.265 688 HD13 LEU 86 3HD1 LEU 86 -4.909 -4.347 -4.803 689 HD21 LEU 86 3HD2 LEU 86 -3.291 -1.758 -6.931 690 HD22 LEU 86 1HD2 LEU 86 -4.960 -1.651 -6.358 691 HD23 LEU 86 2HD2 LEU 86 -4.316 -3.190 -6.938 692 H GLU 87 H GLU 87 -6.409 0.175 -5.151 693 HA GLU 87 HA GLU 87 -7.834 -0.596 -2.683 694 HB2 GLU 87 1HB GLU 87 -8.868 0.553 -5.314 695 HB3 GLU 87 2HB GLU 87 -9.864 0.165 -3.911 696 HG2 GLU 87 1HG GLU 87 -8.514 1.826 -2.582 697 HG3 GLU 87 2HG GLU 87 -7.698 2.279 -4.078 698 H GLY 88 H GLY 88 -7.783 -2.725 -2.530 699 HA2 GLY 88 1HA GLY 88 -9.346 -4.423 -4.161 700 HA3 GLY 88 2HA GLY 88 -7.641 -4.671 -4.528 701 H ASN 89 H ASN 89 -9.595 -6.469 -3.245 702 HA ASN 89 HA ASN 89 -9.117 -6.713 -0.476 703 HB2 ASN 89 1HB ASN 89 -10.156 -8.647 -2.574 704 HB3 ASN 89 2HB ASN 89 -9.900 -9.165 -0.913 705 HD21 ASN 89 2HD2 ASN 89 -12.119 -9.595 -0.740 706 HD22 ASN 89 1HD2 ASN 89 -13.278 -8.332 -0.516 707 H VAL 90 H VAL 90 -7.430 -7.479 0.606 708 HA VAL 90 HA VAL 90 -4.946 -7.767 -0.731 709 HB VAL 90 HB VAL 90 -5.338 -6.670 1.515 710 HG11 VAL 90 1HG1 VAL 90 -6.699 -8.353 2.611 711 HG12 VAL 90 2HG1 VAL 90 -5.244 -8.056 3.562 712 HG13 VAL 90 3HG1 VAL 90 -5.368 -9.510 2.570 713 HG21 VAL 90 3HG2 VAL 90 -3.143 -7.315 2.474 714 HG22 VAL 90 1HG2 VAL 90 -3.077 -7.025 0.733 715 HG23 VAL 90 2HG2 VAL 90 -3.082 -8.674 1.350 716 H TYR 91 H TYR 91 -7.260 -10.074 0.359 717 HA TYR 91 HA TYR 91 -5.463 -12.355 0.455 718 HD1 TYR 91 HD2 TYR 91 -5.871 -13.243 3.010 719 HD2 TYR 91 HD1 TYR 91 -9.150 -10.648 2.123 720 HE1 TYR 91 HE2 TYR 91 -5.784 -12.339 5.292 721 HE2 TYR 91 HE1 TYR 91 -9.040 -9.740 4.401 722 HH TYR 91 HH TYR 91 -6.427 -10.373 6.521 723 HB2 TYR 91 1HB TYR 91 -8.515 -12.306 0.512 724 HB3 TYR 91 2HB TYR 91 -7.473 -13.642 1.001 725 H ASP 92 H ASP 92 -7.285 -10.682 -1.911 726 HA ASP 92 HA ASP 92 -7.543 -12.876 -3.801 727 HB2 ASP 92 1HB ASP 92 -8.316 -9.945 -3.846 728 HB3 ASP 92 2HB ASP 92 -8.295 -10.860 -5.347 729 H PHE 93 H PHE 93 -5.034 -10.720 -2.978 730 HA PHE 93 HA PHE 93 -3.781 -10.203 -5.431 731 HD1 PHE 93 HD1 PHE 93 -4.846 -8.595 -4.229 732 HD2 PHE 93 HD2 PHE 93 -1.258 -8.469 -1.930 733 HE1 PHE 93 HE1 PHE 93 -5.416 -6.339 -3.464 734 HE2 PHE 93 HE2 PHE 93 -1.833 -6.219 -1.170 735 HZ PHE 93 HZ PHE 93 -3.906 -5.141 -1.926 736 HB2 PHE 93 1HB PHE 93 -2.487 -10.718 -2.724 737 HB3 PHE 93 2HB PHE 93 -1.652 -10.028 -4.112 738 H GLU 94 H GLU 94 -3.372 -12.913 -3.188 739 HA GLU 94 HA GLU 94 -1.536 -14.548 -4.432 740 HB2 GLU 94 1HB GLU 94 -3.816 -14.939 -2.522 741 HB3 GLU 94 2HB GLU 94 -3.228 -16.402 -3.297 742 HG2 GLU 94 1HG GLU 94 -1.348 -14.507 -1.877 743 HG3 GLU 94 2HG GLU 94 -2.252 -15.739 -0.995 744 H LYS 95 H LYS 95 -5.089 -14.660 -4.906 745 HA LYS 95 HA LYS 95 -4.899 -16.684 -6.959 746 HB2 LYS 95 1HB LYS 95 -7.354 -16.544 -7.064 747 HB3 LYS 95 2HB LYS 95 -6.783 -16.700 -5.407 748 HG2 LYS 95 1HG LYS 95 -7.042 -14.174 -5.197 749 HG3 LYS 95 2HG LYS 95 -7.860 -14.213 -6.759 750 HD2 LYS 95 1HD LYS 95 -9.524 -14.203 -4.990 751 HD3 LYS 95 2HD LYS 95 -9.561 -15.770 -5.802 752 HE2 LYS 95 1HE LYS 95 -8.218 -16.737 -3.954 753 HE3 LYS 95 2HE LYS 95 -8.222 -15.169 -3.144 754 HZ1 LYS 95 3HZ LYS 95 -10.624 -15.296 -2.983 755 HZ2 LYS 95 1HZ LYS 95 -9.907 -16.642 -2.258 756 HZ3 LYS 95 2HZ LYS 95 -10.629 -16.792 -3.776 757 H TYR 96 H TYR 96 -4.774 -13.242 -7.015 758 HA TYR 96 HA TYR 96 -5.327 -13.033 -9.883 759 HD1 TYR 96 HD2 TYR 96 -7.221 -12.099 -7.443 760 HD2 TYR 96 HD1 TYR 96 -5.977 -9.375 -10.497 761 HE1 TYR 96 HE2 TYR 96 -9.552 -11.414 -7.782 762 HE2 TYR 96 HE1 TYR 96 -8.313 -8.698 -10.839 763 HH TYR 96 HH TYR 96 -10.757 -9.368 -8.669 764 HB2 TYR 96 1HB TYR 96 -4.702 -11.049 -7.697 765 HB3 TYR 96 2HB TYR 96 -4.323 -10.584 -9.351 766 H GLY 97 H GLY 97 -2.715 -14.014 -7.988 767 HA2 GLY 97 1HA GLY 97 -0.971 -15.203 -9.099 768 HA3 GLY 97 2HA GLY 97 -1.066 -14.095 -10.460 769 H PHE 98 H PHE 98 -0.991 -13.154 -7.095 770 HA PHE 98 HA PHE 98 1.782 -12.124 -7.323 771 HD1 PHE 98 HD1 PHE 98 1.749 -9.734 -8.577 772 HD2 PHE 98 HD2 PHE 98 -2.244 -10.040 -7.076 773 HE1 PHE 98 HE1 PHE 98 0.911 -8.497 -10.531 774 HE2 PHE 98 HE2 PHE 98 -3.068 -8.799 -9.039 775 HZ PHE 98 HZ PHE 98 -1.491 -8.029 -10.764 776 HB2 PHE 98 1HB PHE 98 -0.463 -10.796 -5.724 777 HB3 PHE 98 2HB PHE 98 1.152 -10.165 -6.028 778 H ARG 99 H ARG 99 2.892 -13.608 -6.081 779 HA ARG 99 HA ARG 99 1.721 -15.103 -3.983 780 HE ARG 99 HE ARG 99 7.384 -13.050 -4.022 781 HB2 ARG 99 1HB ARG 99 3.772 -16.168 -3.634 782 HB3 ARG 99 2HB ARG 99 3.904 -15.684 -5.314 783 HG2 ARG 99 1HG ARG 99 5.206 -14.293 -2.946 784 HG3 ARG 99 2HG ARG 99 6.017 -15.334 -4.105 785 HD2 ARG 99 1HD ARG 99 5.147 -13.636 -5.874 786 HD3 ARG 99 2HD ARG 99 4.921 -12.567 -4.492 787 HH11 ARG 99 1HH1 ARG 99 6.091 -12.951 -7.284 788 HH12 ARG 99 2HH1 ARG 99 7.598 -12.477 -7.999 789 HH21 ARG 99 1HH2 ARG 99 9.368 -12.433 -4.973 790 HH22 ARG 99 2HH2 ARG 99 9.455 -12.190 -6.690 791 H MET 100 H MET 100 2.240 -15.052 -1.756 792 HA MET 100 HA MET 100 2.872 -12.435 -0.586 793 HB2 MET 100 1HB MET 100 0.294 -13.921 0.102 794 HB3 MET 100 2HB MET 100 0.807 -12.352 0.705 795 HG2 MET 100 1HG MET 100 0.597 -11.479 -1.654 796 HG3 MET 100 2HG MET 100 -0.114 -13.029 -2.094 797 HE1 MET 100 3HE MET 100 -1.957 -9.889 0.672 798 HE2 MET 100 1HE MET 100 -0.556 -9.636 -0.365 799 HE3 MET 100 2HE MET 100 -0.439 -10.698 1.043 800 H VAL 101 H VAL 101 2.875 -12.626 1.817 801 HA VAL 101 HA VAL 101 3.909 -15.241 2.732 802 HB VAL 101 HB VAL 101 4.666 -12.527 3.914 803 HG11 VAL 101 1HG1 VAL 101 5.986 -15.259 4.128 804 HG12 VAL 101 2HG1 VAL 101 5.035 -14.458 5.380 805 HG13 VAL 101 3HG1 VAL 101 6.575 -13.769 4.872 806 HG21 VAL 101 3HG2 VAL 101 6.218 -14.048 1.777 807 HG22 VAL 101 1HG2 VAL 101 6.777 -12.604 2.628 808 HG23 VAL 101 2HG2 VAL 101 5.382 -12.512 1.553 809 H TYR 102 H TYR 102 2.033 -16.045 3.556 810 HA TYR 102 HA TYR 102 0.405 -14.569 5.487 811 HD1 TYR 102 HD2 TYR 102 0.152 -15.280 2.272 812 HD2 TYR 102 HD1 TYR 102 -3.008 -16.160 5.018 813 HE1 TYR 102 HE2 TYR 102 -1.454 -14.175 0.792 814 HE2 TYR 102 HE1 TYR 102 -4.609 -15.047 3.523 815 HH TYR 102 HH TYR 102 -3.743 -14.060 0.307 816 HB2 TYR 102 1HB TYR 102 0.159 -17.304 4.181 817 HB3 TYR 102 2HB TYR 102 -0.842 -16.867 5.560 818 H ASP 103 H ASP 103 0.127 -15.210 7.635 819 HA ASP 103 HA ASP 103 0.839 -15.624 9.727 820 HB2 ASP 103 1HB ASP 103 0.002 -17.893 8.986 821 HB3 ASP 103 2HB ASP 103 1.654 -18.327 8.575 822 H ASP 104 H ASP 104 2.501 -13.998 8.725 823 HA ASP 104 HA ASP 104 5.250 -14.906 8.496 824 HB2 ASP 104 1HB ASP 104 4.357 -13.141 7.015 825 HB3 ASP 104 2HB ASP 104 4.034 -12.113 8.409 826 H THR 105 H THR 105 3.239 -14.078 11.036 827 HA THR 105 HA THR 105 4.532 -12.449 12.805 828 HB THR 105 HB THR 105 2.273 -13.215 13.201 829 HG1 THR 105 HG1 THR 105 3.559 -12.633 15.046 830 HG21 THR 105 3HG2 THR 105 1.729 -15.493 13.990 831 HG22 THR 105 1HG2 THR 105 3.411 -15.981 13.753 832 HG23 THR 105 2HG2 THR 105 2.418 -15.529 12.366 833 H CYS 106 H CYS 106 5.737 -12.798 14.759 834 HA CYS 106 HA CYS 106 8.067 -14.294 14.712 835 HG CYS 106 HG CYS 106 6.792 -10.945 16.721 836 HB2 CYS 106 1HB CYS 106 6.525 -13.444 17.203 837 HB3 CYS 106 2HB CYS 106 8.244 -13.824 17.123 838 H ASP 107 H ASP 107 5.048 -15.033 16.420 839 HA ASP 107 HA ASP 107 4.700 -17.587 15.401 840 HB2 ASP 107 1HB ASP 107 4.984 -19.063 17.372 841 HB3 ASP 107 2HB ASP 107 6.518 -18.371 16.876 842 H LYS 108 H LYS 108 2.757 -18.640 16.331 843 HA LYS 108 HA LYS 108 0.970 -16.695 17.694 844 HB2 LYS 108 1HB LYS 108 0.272 -17.233 15.364 845 HB3 LYS 108 2HB LYS 108 0.250 -18.950 15.758 846 HG2 LYS 108 1HG LYS 108 -1.540 -18.418 17.496 847 HG3 LYS 108 2HG LYS 108 -1.605 -16.788 16.824 848 HD2 LYS 108 1HD LYS 108 -3.400 -18.136 15.853 849 HD3 LYS 108 2HD LYS 108 -2.215 -17.758 14.601 850 HE2 LYS 108 1HE LYS 108 -1.227 -20.010 14.847 851 HE3 LYS 108 2HE LYS 108 -2.392 -20.388 16.117 852 HZ1 LYS 108 3HZ LYS 108 -4.171 -20.048 14.468 853 HZ2 LYS 108 1HZ LYS 108 -3.122 -21.314 14.045 854 HZ3 LYS 108 2HZ LYS 108 -2.996 -19.820 13.271 855 H LYS 109 H LYS 109 0.989 -20.222 17.102 856 HA LYS 109 HA LYS 109 0.753 -22.060 18.356 857 HB2 LYS 109 1HB LYS 109 2.942 -21.327 19.239 858 HB3 LYS 109 2HB LYS 109 2.134 -20.383 20.484 859 HG2 LYS 109 1HG LYS 109 1.199 -22.505 21.432 860 HG3 LYS 109 2HG LYS 109 2.102 -23.413 20.215 861 HD2 LYS 109 1HD LYS 109 3.320 -23.429 22.339 862 HD3 LYS 109 2HD LYS 109 4.228 -22.520 21.128 863 HE2 LYS 109 1HE LYS 109 3.436 -20.402 22.115 864 HE3 LYS 109 2HE LYS 109 2.497 -21.300 23.311 865 HZ1 LYS 109 3HZ LYS 109 5.454 -21.357 23.024 866 HZ2 LYS 109 1HZ LYS 109 4.559 -22.222 24.168 867 HZ3 LYS 109 2HZ LYS 109 4.590 -20.534 24.222 868 H ASN 110 H ASN 110 -1.391 -22.421 18.626 869 HA ASN 110 HA ASN 110 -3.147 -20.785 20.144 870 HB2 ASN 110 1HB ASN 110 -4.875 -22.505 19.687 871 HB3 ASN 110 2HB ASN 110 -3.992 -22.068 18.235 872 HD21 ASN 110 2HD2 ASN 110 -4.564 -24.577 20.591 873 HD22 ASN 110 1HD2 ASN 110 -3.859 -25.866 19.683 Start of MODEL 20 1 HA MET 1 HA MET 1 -4.782 15.346 -9.338 2 H1 MET 1 1H MET 1 -6.659 14.142 -10.187 3 H2 MET 1 2H MET 1 -7.097 15.705 -9.728 4 H3 MET 1 3H MET 1 -7.508 14.394 -8.751 5 HB2 MET 1 1HB MET 1 -6.439 15.500 -6.792 6 HB3 MET 1 2HB MET 1 -4.733 15.921 -6.889 7 HG2 MET 1 1HG MET 1 -6.998 17.312 -8.340 8 HG3 MET 1 2HG MET 1 -6.131 17.926 -6.935 9 HE1 MET 1 3HE MET 1 -3.066 17.113 -7.675 10 HE2 MET 1 1HE MET 1 -3.562 18.662 -6.989 11 HE3 MET 1 2HE MET 1 -2.554 18.620 -8.436 12 H LEU 2 H LEU 2 -5.681 13.682 -6.321 13 HA LEU 2 HA LEU 2 -3.765 11.603 -7.034 14 HG LEU 2 HG LEU 2 -5.766 10.310 -4.411 15 HB2 LEU 2 1HB LEU 2 -3.350 11.289 -4.845 16 HB3 LEU 2 2HB LEU 2 -4.122 12.847 -4.646 17 HD11 LEU 2 1HD1 LEU 2 -3.864 9.933 -2.963 18 HD12 LEU 2 2HD1 LEU 2 -5.320 10.233 -2.016 19 HD13 LEU 2 3HD1 LEU 2 -4.108 11.506 -2.194 20 HD21 LEU 2 3HD2 LEU 2 -6.974 12.444 -4.491 21 HD22 LEU 2 1HD2 LEU 2 -6.044 13.031 -3.107 22 HD23 LEU 2 2HD2 LEU 2 -7.145 11.663 -2.920 23 H GLU 3 H GLU 3 -7.204 11.937 -6.992 24 HA GLU 3 HA GLU 3 -7.903 9.266 -6.378 25 HB2 GLU 3 1HB GLU 3 -10.130 9.743 -7.122 26 HB3 GLU 3 2HB GLU 3 -9.533 11.146 -6.256 27 HG2 GLU 3 1HG GLU 3 -9.575 10.943 -9.277 28 HG3 GLU 3 2HG GLU 3 -10.913 11.590 -8.340 29 H ASP 4 H ASP 4 -6.566 10.648 -9.190 30 HA ASP 4 HA ASP 4 -7.253 8.610 -11.098 31 HB2 ASP 4 1HB ASP 4 -4.910 10.556 -11.160 32 HB3 ASP 4 2HB ASP 4 -5.613 9.706 -12.535 33 H TYR 5 H TYR 5 -4.837 8.976 -8.616 34 HA TYR 5 HA TYR 5 -3.008 6.916 -9.431 35 HD1 TYR 5 HD1 TYR 5 -3.282 10.119 -8.964 36 HD2 TYR 5 HD2 TYR 5 -0.115 8.101 -6.933 37 HE1 TYR 5 HE1 TYR 5 -1.726 11.913 -9.589 38 HE2 TYR 5 HE2 TYR 5 1.437 9.891 -7.558 39 HH TYR 5 HH TYR 5 1.655 11.666 -9.230 40 HB2 TYR 5 1HB TYR 5 -3.446 8.266 -6.727 41 HB3 TYR 5 2HB TYR 5 -2.200 7.059 -7.011 42 H ALA 6 H ALA 6 -6.174 6.685 -8.454 43 HA ALA 6 HA ALA 6 -6.242 4.400 -6.789 44 HB1 ALA 6 3HB ALA 6 -8.221 5.832 -7.124 45 HB2 ALA 6 1HB ALA 6 -8.593 4.156 -7.541 46 HB3 ALA 6 2HB ALA 6 -8.311 5.347 -8.816 47 H ILE 7 H ILE 7 -5.055 2.686 -7.392 48 HA ILE 7 HA ILE 7 -5.288 1.561 -10.113 49 HB ILE 7 HB ILE 7 -3.322 0.777 -7.902 50 HG12 ILE 7 1HG1 ILE 7 -2.923 2.627 -10.308 51 HG13 ILE 7 2HG1 ILE 7 -2.884 3.106 -8.620 52 HG21 ILE 7 1HG2 ILE 7 -2.101 -0.404 -9.700 53 HG22 ILE 7 2HG2 ILE 7 -3.335 0.071 -10.868 54 HG23 ILE 7 3HG2 ILE 7 -3.745 -1.026 -9.549 55 HD11 ILE 7 3HD1 ILE 7 -0.875 1.383 -10.065 56 HD12 ILE 7 1HD1 ILE 7 -0.842 1.720 -8.333 57 HD13 ILE 7 2HD1 ILE 7 -0.663 3.034 -9.491 58 H SER 8 H SER 8 -6.309 -0.350 -10.421 59 HA SER 8 HA SER 8 -7.713 -1.611 -8.159 60 HG SER 8 HG SER 8 -8.719 0.094 -9.777 61 HB2 SER 8 1HB SER 8 -8.084 -1.941 -11.165 62 HB3 SER 8 2HB SER 8 -9.101 -2.662 -9.916 63 H LEU 9 H LEU 9 -7.752 -3.935 -7.966 64 HA LEU 9 HA LEU 9 -5.205 -5.160 -8.042 65 HG LEU 9 HG LEU 9 -6.453 -8.261 -7.840 66 HB2 LEU 9 1HB LEU 9 -6.917 -5.648 -6.351 67 HB3 LEU 9 2HB LEU 9 -7.957 -6.361 -7.571 68 HD11 LEU 9 1HD1 LEU 9 -4.416 -8.543 -6.463 69 HD12 LEU 9 2HD1 LEU 9 -4.587 -6.880 -5.893 70 HD13 LEU 9 3HD1 LEU 9 -4.284 -7.204 -7.601 71 HD21 LEU 9 3HD2 LEU 9 -6.616 -9.276 -5.600 72 HD22 LEU 9 1HD2 LEU 9 -8.094 -8.412 -6.021 73 HD23 LEU 9 2HD2 LEU 9 -6.941 -7.689 -4.895 74 H GLU 10 H GLU 10 -7.734 -5.115 -10.405 75 HA GLU 10 HA GLU 10 -6.972 -7.455 -11.915 76 HB2 GLU 10 1HB GLU 10 -8.638 -6.676 -13.546 77 HB3 GLU 10 2HB GLU 10 -9.279 -6.572 -11.911 78 HG2 GLU 10 1HG GLU 10 -8.655 -4.096 -11.945 79 HG3 GLU 10 2HG GLU 10 -8.337 -4.286 -13.666 80 H GLU 11 H GLU 11 -5.671 -4.309 -11.699 81 HA GLU 11 HA GLU 11 -4.318 -4.490 -14.346 82 HB2 GLU 11 1HB GLU 11 -4.533 -2.020 -14.520 83 HB3 GLU 11 2HB GLU 11 -6.106 -2.808 -14.468 84 HG2 GLU 11 1HG GLU 11 -6.322 -2.229 -12.073 85 HG3 GLU 11 2HG GLU 11 -4.742 -1.459 -12.115 86 H VAL 12 H VAL 12 -3.794 -4.598 -11.086 87 HA VAL 12 HA VAL 12 -1.681 -2.641 -10.842 88 HB VAL 12 HB VAL 12 -3.198 -3.239 -8.926 89 HG11 VAL 12 1HG1 VAL 12 -3.296 -5.673 -9.214 90 HG12 VAL 12 2HG1 VAL 12 -2.778 -5.245 -7.584 91 HG13 VAL 12 3HG1 VAL 12 -1.594 -5.812 -8.764 92 HG21 VAL 12 3HG2 VAL 12 -1.451 -3.141 -7.177 93 HG22 VAL 12 1HG2 VAL 12 -1.105 -2.038 -8.510 94 HG23 VAL 12 2HG2 VAL 12 -0.223 -3.561 -8.374 95 H ASN 13 H ASN 13 0.496 -3.002 -10.646 96 HA ASN 13 HA ASN 13 1.586 -5.735 -10.997 97 HB2 ASN 13 1HB ASN 13 2.742 -3.159 -12.184 98 HB3 ASN 13 2HB ASN 13 3.439 -4.769 -12.341 99 HD21 ASN 13 2HD2 ASN 13 0.918 -2.609 -13.444 100 HD22 ASN 13 1HD2 ASN 13 0.413 -3.573 -14.787 101 H PHE 14 H PHE 14 1.882 -5.950 -8.750 102 HA PHE 14 HA PHE 14 2.681 -3.917 -6.987 103 HD1 PHE 14 HD1 PHE 14 1.279 -3.927 -5.177 104 HD2 PHE 14 HD2 PHE 14 0.803 -7.966 -6.480 105 HE1 PHE 14 HE1 PHE 14 -1.076 -3.876 -4.483 106 HE2 PHE 14 HE2 PHE 14 -1.559 -7.904 -5.786 107 HZ PHE 14 HZ PHE 14 -2.499 -5.858 -4.791 108 HB2 PHE 14 1HB PHE 14 2.916 -6.941 -6.698 109 HB3 PHE 14 2HB PHE 14 3.274 -5.820 -5.389 110 H ASN 15 H ASN 15 4.618 -6.254 -8.795 111 HA ASN 15 HA ASN 15 7.118 -5.637 -7.523 112 HB2 ASN 15 1HB ASN 15 6.604 -7.028 -10.179 113 HB3 ASN 15 2HB ASN 15 8.140 -7.007 -9.313 114 HD21 ASN 15 2HD2 ASN 15 6.466 -9.294 -10.083 115 HD22 ASN 15 1HD2 ASN 15 6.091 -10.135 -8.619 116 H ASP 16 H ASP 16 5.305 -3.926 -9.834 117 HA ASP 16 HA ASP 16 7.460 -2.575 -11.201 118 HB2 ASP 16 1HB ASP 16 5.144 -2.829 -12.197 119 HB3 ASP 16 2HB ASP 16 4.532 -1.737 -10.968 120 H PHE 17 H PHE 17 5.617 -2.063 -8.260 121 HA PHE 17 HA PHE 17 6.873 0.609 -7.867 122 HD1 PHE 17 HD2 PHE 17 4.633 2.000 -9.225 123 HD2 PHE 17 HD1 PHE 17 2.748 -1.370 -7.425 124 HE1 PHE 17 HE2 PHE 17 2.982 1.965 -11.034 125 HE2 PHE 17 HE1 PHE 17 1.091 -1.406 -9.243 126 HZ PHE 17 HZ PHE 17 1.214 0.254 -11.052 127 HB2 PHE 17 1HB PHE 17 4.463 -0.222 -6.241 128 HB3 PHE 17 2HB PHE 17 4.968 1.375 -6.740 129 H ILE 18 H ILE 18 7.667 1.085 -5.750 130 HA ILE 18 HA ILE 18 8.354 -1.021 -3.905 131 HB ILE 18 HB ILE 18 8.296 2.012 -3.470 132 HG12 ILE 18 1HG1 ILE 18 10.688 0.275 -4.261 133 HG13 ILE 18 2HG1 ILE 18 9.808 1.329 -5.362 134 HG21 ILE 18 1HG2 ILE 18 8.312 0.776 -1.348 135 HG22 ILE 18 2HG2 ILE 18 9.852 1.594 -1.591 136 HG23 ILE 18 3HG2 ILE 18 9.727 -0.145 -1.864 137 HD11 ILE 18 3HD1 ILE 18 11.869 2.341 -4.649 138 HD12 ILE 18 1HD1 ILE 18 11.396 2.199 -2.958 139 HD13 ILE 18 2HD1 ILE 18 10.499 3.269 -4.039 140 H VAL 19 H VAL 19 6.633 -2.042 -2.896 141 HA VAL 19 HA VAL 19 4.089 -0.606 -2.644 142 HB VAL 19 HB VAL 19 4.651 -3.510 -1.854 143 HG11 VAL 19 1HG1 VAL 19 2.515 -2.626 -1.024 144 HG12 VAL 19 2HG1 VAL 19 2.235 -3.840 -2.273 145 HG13 VAL 19 3HG1 VAL 19 2.064 -2.123 -2.655 146 HG21 VAL 19 3HG2 VAL 19 3.794 -2.483 -4.585 147 HG22 VAL 19 1HG2 VAL 19 3.873 -4.181 -4.102 148 HG23 VAL 19 2HG2 VAL 19 5.349 -3.218 -4.189 149 H VAL 20 H VAL 20 2.971 -0.477 -0.644 150 HA VAL 20 HA VAL 20 4.441 -0.828 1.880 151 HB VAL 20 HB VAL 20 3.011 1.739 0.999 152 HG11 VAL 20 1HG1 VAL 20 3.419 2.660 3.259 153 HG12 VAL 20 2HG1 VAL 20 4.042 1.096 3.793 154 HG13 VAL 20 3HG1 VAL 20 2.352 1.258 3.317 155 HG21 VAL 20 3HG2 VAL 20 5.365 1.589 0.265 156 HG22 VAL 20 1HG2 VAL 20 5.883 1.338 1.930 157 HG23 VAL 20 2HG2 VAL 20 5.150 2.869 1.451 158 H ASP 21 H ASP 21 3.157 -1.902 3.299 159 HA ASP 21 HA ASP 21 0.280 -2.144 2.758 160 HB2 ASP 21 1HB ASP 21 1.903 -4.109 3.513 161 HB3 ASP 21 2HB ASP 21 1.664 -3.460 5.133 162 H VAL 22 H VAL 22 -0.842 -0.410 3.463 163 HA VAL 22 HA VAL 22 0.004 1.056 5.871 164 HB VAL 22 HB VAL 22 -1.892 2.673 5.181 165 HG11 VAL 22 1HG1 VAL 22 0.411 2.236 3.233 166 HG12 VAL 22 2HG1 VAL 22 0.484 3.154 4.736 167 HG13 VAL 22 3HG1 VAL 22 -0.516 3.730 3.403 168 HG21 VAL 22 3HG2 VAL 22 -1.812 1.046 2.599 169 HG22 VAL 22 1HG2 VAL 22 -2.704 2.551 2.850 170 HG23 VAL 22 2HG2 VAL 22 -3.162 1.092 3.734 171 H ARG 23 H ARG 23 -0.490 -0.658 7.349 172 HA ARG 23 HA ARG 23 -3.217 -0.550 8.364 173 HE ARG 23 HE ARG 23 -2.570 -4.592 5.647 174 HB2 ARG 23 1HB ARG 23 -2.051 -3.205 7.428 175 HB3 ARG 23 2HB ARG 23 -3.399 -3.092 8.549 176 HG2 ARG 23 1HG ARG 23 -4.696 -1.875 6.757 177 HG3 ARG 23 2HG ARG 23 -3.358 -2.191 5.647 178 HD2 ARG 23 1HD ARG 23 -5.005 -4.311 7.074 179 HD3 ARG 23 2HD ARG 23 -5.210 -3.813 5.395 180 HH11 ARG 23 1HH1 ARG 23 -5.625 -6.225 6.218 181 HH12 ARG 23 2HH1 ARG 23 -5.045 -7.752 5.645 182 HH21 ARG 23 1HH2 ARG 23 -1.796 -6.562 4.965 183 HH22 ARG 23 2HH2 ARG 23 -2.843 -7.954 4.933 184 H GLU 24 H GLU 24 -0.934 -3.209 9.191 185 HA GLU 24 HA GLU 24 -0.382 -2.123 11.846 186 HB2 GLU 24 1HB GLU 24 -2.571 -4.188 11.387 187 HB3 GLU 24 2HB GLU 24 -1.698 -4.159 12.914 188 HG2 GLU 24 1HG GLU 24 -2.523 -1.971 13.449 189 HG3 GLU 24 2HG GLU 24 -3.179 -1.754 11.828 190 H LEU 25 H LEU 25 0.968 -3.528 13.149 191 HA LEU 25 HA LEU 25 2.717 -5.287 11.801 192 HG LEU 25 HG LEU 25 3.322 -7.134 14.484 193 HB2 LEU 25 1HB LEU 25 3.420 -4.153 13.843 194 HB3 LEU 25 2HB LEU 25 2.168 -4.958 14.775 195 HD11 LEU 25 1HD1 LEU 25 4.373 -6.807 12.302 196 HD12 LEU 25 2HD1 LEU 25 5.576 -7.279 13.498 197 HD13 LEU 25 3HD1 LEU 25 5.465 -5.595 12.981 198 HD21 LEU 25 3HD2 LEU 25 5.159 -4.964 15.560 199 HD22 LEU 25 1HD2 LEU 25 5.286 -6.692 15.908 200 HD23 LEU 25 2HD2 LEU 25 3.877 -5.786 16.455 201 H ASP 26 H ASP 26 -0.267 -5.806 13.586 202 HA ASP 26 HA ASP 26 -0.337 -8.534 14.006 203 HB2 ASP 26 1HB ASP 26 -2.082 -7.112 14.879 204 HB3 ASP 26 2HB ASP 26 -2.566 -6.608 13.268 205 H GLU 27 H GLU 27 -1.558 -6.813 11.110 206 HA GLU 27 HA GLU 27 -2.206 -9.190 9.696 207 HB2 GLU 27 1HB GLU 27 -2.554 -7.700 7.726 208 HB3 GLU 27 2HB GLU 27 -3.425 -7.207 9.163 209 HG2 GLU 27 1HG GLU 27 -2.682 -5.201 8.290 210 HG3 GLU 27 2HG GLU 27 -1.527 -5.546 9.568 211 H TYR 28 H TYR 28 0.655 -7.092 9.744 212 HA TYR 28 HA TYR 28 2.082 -8.097 7.571 213 HD1 TYR 28 HD2 TYR 28 4.429 -6.256 6.935 214 HD2 TYR 28 HD1 TYR 28 5.134 -8.415 10.554 215 HE1 TYR 28 HE2 TYR 28 6.767 -6.591 6.287 216 HE2 TYR 28 HE1 TYR 28 7.473 -8.739 9.904 217 HH TYR 28 HH TYR 28 8.794 -8.812 7.789 218 HB2 TYR 28 1HB TYR 28 2.812 -6.133 8.831 219 HB3 TYR 28 2HB TYR 28 3.070 -7.094 10.275 220 H GLU 29 H GLU 29 1.766 -9.371 10.831 221 HA GLU 29 HA GLU 29 3.707 -11.441 10.644 222 HB2 GLU 29 1HB GLU 29 1.367 -11.050 12.554 223 HB3 GLU 29 2HB GLU 29 2.616 -12.265 12.770 224 HG2 GLU 29 1HG GLU 29 3.106 -9.276 12.731 225 HG3 GLU 29 2HG GLU 29 2.922 -10.244 14.187 226 H GLU 30 H GLU 30 0.152 -11.374 10.185 227 HA GLU 30 HA GLU 30 0.069 -14.261 9.771 228 HB2 GLU 30 1HB GLU 30 -2.401 -13.904 9.390 229 HB3 GLU 30 2HB GLU 30 -1.793 -13.434 10.972 230 HG2 GLU 30 1HG GLU 30 -1.872 -11.089 10.358 231 HG3 GLU 30 2HG GLU 30 -2.336 -11.499 8.706 232 H LEU 31 H LEU 31 -0.454 -11.403 7.644 233 HA LEU 31 HA LEU 31 0.576 -12.747 5.378 234 HG LEU 31 HG LEU 31 -3.713 -12.870 4.889 235 HB2 LEU 31 1HB LEU 31 -1.288 -13.110 3.991 236 HB3 LEU 31 2HB LEU 31 -1.706 -13.785 5.542 237 HD11 LEU 31 1HD1 LEU 31 -3.289 -11.958 7.094 238 HD12 LEU 31 2HD1 LEU 31 -4.292 -10.870 6.140 239 HD13 LEU 31 3HD1 LEU 31 -2.584 -10.505 6.382 240 HD21 LEU 31 3HD2 LEU 31 -4.123 -10.799 3.679 241 HD22 LEU 31 1HD2 LEU 31 -2.993 -11.838 2.810 242 HD23 LEU 31 2HD2 LEU 31 -2.395 -10.430 3.696 243 H HIS 32 H HIS 32 1.129 -11.455 3.699 244 HA HIS 32 HA HIS 32 -0.080 -9.024 2.956 245 HD1 HIS 32 HD1 HIS 32 2.711 -10.251 5.791 246 HD2 HIS 32 HD2 HIS 32 4.255 -7.045 3.656 247 HE1 HIS 32 HE1 HIS 32 5.195 -10.367 6.069 248 HE2 HIS 32 HE2 HIS 32 6.106 -8.526 4.655 249 HB2 HIS 32 1HB HIS 32 1.571 -7.328 3.613 250 HB3 HIS 32 2HB HIS 32 0.987 -8.128 5.064 251 H LEU 33 H LEU 33 1.939 -7.730 1.601 252 HA LEU 33 HA LEU 33 2.894 -9.742 -0.321 253 HG LEU 33 HG LEU 33 0.655 -7.937 -0.739 254 HB2 LEU 33 1HB LEU 33 2.898 -6.707 -0.364 255 HB3 LEU 33 2HB LEU 33 3.523 -7.699 -1.670 256 HD11 LEU 33 1HD1 LEU 33 1.699 -6.092 -2.903 257 HD12 LEU 33 2HD1 LEU 33 1.013 -5.594 -1.355 258 HD13 LEU 33 3HD1 LEU 33 -0.002 -6.407 -2.543 259 HD21 LEU 33 3HD2 LEU 33 0.270 -8.866 -2.982 260 HD22 LEU 33 1HD2 LEU 33 1.488 -9.799 -2.114 261 HD23 LEU 33 2HD2 LEU 33 1.978 -8.663 -3.374 262 HA PRO 34 HA PRO 34 7.052 -9.609 1.366 263 HB2 PRO 34 1HB PRO 34 8.509 -10.521 -0.773 264 HB3 PRO 34 2HB PRO 34 7.445 -11.578 0.165 265 HG2 PRO 34 1HG PRO 34 6.915 -10.212 -2.466 266 HG3 PRO 34 2HG PRO 34 6.561 -11.888 -1.983 267 HD2 PRO 34 1HD PRO 34 4.666 -9.917 -1.984 268 HD3 PRO 34 2HD PRO 34 4.613 -11.268 -0.838 269 H ASN 35 H ASN 35 6.131 -7.785 -1.452 270 HA ASN 35 HA ASN 35 8.487 -6.041 -1.469 271 HB2 ASN 35 1HB ASN 35 5.972 -5.976 -3.207 272 HB3 ASN 35 2HB ASN 35 7.426 -5.015 -3.465 273 HD21 ASN 35 2HD2 ASN 35 6.031 -8.216 -3.655 274 HD22 ASN 35 1HD2 ASN 35 7.257 -8.909 -4.646 275 H ALA 36 H ALA 36 5.819 -6.224 0.445 276 HA ALA 36 HA ALA 36 5.018 -3.400 0.379 277 HB1 ALA 36 3HB ALA 36 3.222 -5.084 0.439 278 HB2 ALA 36 1HB ALA 36 3.181 -4.055 1.876 279 HB3 ALA 36 2HB ALA 36 3.835 -5.693 1.975 280 H THR 37 H THR 37 5.939 -1.990 1.680 281 HA THR 37 HA THR 37 7.568 -2.669 3.966 282 HB THR 37 HB THR 37 6.703 0.065 2.893 283 HG1 THR 37 HG1 THR 37 7.951 -0.532 1.284 284 HG21 THR 37 3HG2 THR 37 9.037 -0.656 4.721 285 HG22 THR 37 1HG2 THR 37 7.570 0.195 5.216 286 HG23 THR 37 2HG2 THR 37 8.687 0.947 4.079 287 H LEU 38 H LEU 38 6.728 -2.874 5.986 288 HA LEU 38 HA LEU 38 3.982 -2.411 6.567 289 HG LEU 38 HG LEU 38 4.456 -2.050 9.734 290 HB2 LEU 38 1HB LEU 38 5.205 -4.190 7.695 291 HB3 LEU 38 2HB LEU 38 6.316 -3.025 8.406 292 HD11 LEU 38 1HD1 LEU 38 2.576 -2.506 8.246 293 HD12 LEU 38 2HD1 LEU 38 2.267 -3.169 9.847 294 HD13 LEU 38 3HD1 LEU 38 2.738 -4.243 8.529 295 HD21 LEU 38 3HD2 LEU 38 5.828 -3.826 10.731 296 HD22 LEU 38 1HD2 LEU 38 4.720 -5.049 10.105 297 HD23 LEU 38 2HD2 LEU 38 4.170 -3.894 11.320 298 H ILE 39 H ILE 39 3.262 -0.377 6.572 299 HA ILE 39 HA ILE 39 4.296 1.452 8.650 300 HB ILE 39 HB ILE 39 3.375 2.299 5.855 301 HG12 ILE 39 1HG1 ILE 39 6.072 2.701 7.247 302 HG13 ILE 39 2HG1 ILE 39 5.754 1.511 5.994 303 HG21 ILE 39 1HG2 ILE 39 2.465 3.867 7.528 304 HG22 ILE 39 2HG2 ILE 39 3.728 4.644 6.579 305 HG23 ILE 39 3HG2 ILE 39 4.074 4.096 8.219 306 HD11 ILE 39 3HD1 ILE 39 6.948 3.383 5.087 307 HD12 ILE 39 1HD1 ILE 39 5.727 4.508 5.679 308 HD13 ILE 39 2HD1 ILE 39 5.322 3.354 4.407 309 H SER 40 H SER 40 2.695 2.239 9.940 310 HA SER 40 HA SER 40 0.009 1.212 9.688 311 HG SER 40 HG SER 40 0.909 0.421 11.729 312 HB2 SER 40 1HB SER 40 1.182 3.234 11.645 313 HB3 SER 40 2HB SER 40 -0.380 2.432 11.806 314 H VAL 41 H VAL 41 -1.679 2.218 8.685 315 HA VAL 41 HA VAL 41 -1.511 4.429 7.034 316 HB VAL 41 HB VAL 41 -3.353 2.889 6.749 317 HG11 VAL 41 1HG1 VAL 41 -3.725 2.202 9.066 318 HG12 VAL 41 2HG1 VAL 41 -5.247 2.693 8.325 319 HG13 VAL 41 3HG1 VAL 41 -4.427 3.776 9.452 320 HG21 VAL 41 3HG2 VAL 41 -3.822 5.174 5.947 321 HG22 VAL 41 1HG2 VAL 41 -4.505 5.613 7.513 322 HG23 VAL 41 2HG2 VAL 41 -5.303 4.406 6.505 323 H ASN 42 H ASN 42 -2.177 4.373 10.490 324 HA ASN 42 HA ASN 42 -3.279 7.005 10.693 325 HB2 ASN 42 1HB ASN 42 -4.043 5.548 12.353 326 HB3 ASN 42 2HB ASN 42 -2.490 4.751 12.526 327 HD21 ASN 42 2HD2 ASN 42 -0.933 5.640 13.822 328 HD22 ASN 42 1HD2 ASN 42 -1.301 6.819 15.035 329 H ASP 43 H ASP 43 -0.070 5.635 10.729 330 HA ASP 43 HA ASP 43 1.173 7.940 12.023 331 HB2 ASP 43 1HB ASP 43 2.291 5.299 11.004 332 HB3 ASP 43 2HB ASP 43 3.317 6.587 11.628 333 H GLN 44 H GLN 44 0.596 9.504 10.498 334 HA GLN 44 HA GLN 44 1.496 9.637 7.818 335 HB2 GLN 44 1HB GLN 44 0.830 11.777 9.879 336 HB3 GLN 44 2HB GLN 44 1.428 12.216 8.285 337 HG2 GLN 44 1HG GLN 44 -0.971 12.415 8.323 338 HG3 GLN 44 2HG GLN 44 -0.513 11.107 7.246 339 HE21 GLN 44 2HE2 GLN 44 -1.072 8.986 7.809 340 HE22 GLN 44 1HE2 GLN 44 -2.196 8.629 9.067 341 H GLU 45 H GLU 45 3.050 10.246 10.898 342 HA GLU 45 HA GLU 45 5.370 11.588 10.098 343 HB2 GLU 45 1HB GLU 45 6.333 10.777 12.266 344 HB3 GLU 45 2HB GLU 45 4.738 11.500 12.430 345 HG2 GLU 45 1HG GLU 45 3.745 9.206 12.491 346 HG3 GLU 45 2HG GLU 45 5.374 8.534 12.446 347 H LYS 46 H LYS 46 4.715 8.111 10.341 348 HA LYS 46 HA LYS 46 7.395 7.269 9.690 349 HB2 LYS 46 1HB LYS 46 5.957 5.909 11.153 350 HB3 LYS 46 2HB LYS 46 4.772 5.730 9.873 351 HG2 LYS 46 1HG LYS 46 5.960 3.661 10.086 352 HG3 LYS 46 2HG LYS 46 6.443 4.394 8.564 353 HD2 LYS 46 1HD LYS 46 8.153 4.814 11.024 354 HD3 LYS 46 2HD LYS 46 8.235 3.275 10.169 355 HE2 LYS 46 1HE LYS 46 8.988 4.363 8.147 356 HE3 LYS 46 2HE LYS 46 8.707 5.961 8.835 357 HZ1 LYS 46 3HZ LYS 46 11.041 5.366 8.868 358 HZ2 LYS 46 1HZ LYS 46 10.711 4.002 9.818 359 HZ3 LYS 46 2HZ LYS 46 10.448 5.551 10.441 360 H LEU 47 H LEU 47 4.328 7.601 7.984 361 HA LEU 47 HA LEU 47 5.069 6.234 5.613 362 HG LEU 47 HG LEU 47 3.026 7.678 3.600 363 HB2 LEU 47 1HB LEU 47 2.730 6.708 6.469 364 HB3 LEU 47 2HB LEU 47 2.928 8.364 5.937 365 HD11 LEU 47 1HD1 LEU 47 2.888 4.798 4.568 366 HD12 LEU 47 2HD1 LEU 47 4.276 5.574 3.803 367 HD13 LEU 47 3HD1 LEU 47 2.795 5.331 2.888 368 HD21 LEU 47 3HD2 LEU 47 0.796 7.975 4.575 369 HD22 LEU 47 1HD2 LEU 47 0.756 6.274 5.052 370 HD23 LEU 47 2HD2 LEU 47 0.772 6.718 3.344 371 H ALA 48 H ALA 48 4.773 9.683 6.363 372 HA ALA 48 HA ALA 48 5.760 10.754 3.952 373 HB1 ALA 48 3HB ALA 48 5.750 11.979 6.727 374 HB2 ALA 48 1HB ALA 48 4.433 12.053 5.551 375 HB3 ALA 48 2HB ALA 48 5.968 12.855 5.209 376 H ASP 49 H ASP 49 7.373 9.730 6.947 377 HA ASP 49 HA ASP 49 9.969 10.681 6.484 378 HB2 ASP 49 1HB ASP 49 9.332 9.663 8.631 379 HB3 ASP 49 2HB ASP 49 9.080 8.101 7.851 380 H PHE 50 H PHE 50 8.568 7.503 5.669 381 HA PHE 50 HA PHE 50 10.725 6.341 4.331 382 HD1 PHE 50 HD1 PHE 50 10.711 3.648 4.183 383 HD2 PHE 50 HD2 PHE 50 7.427 4.925 1.740 384 HE1 PHE 50 HE1 PHE 50 11.218 1.873 2.558 385 HE2 PHE 50 HE2 PHE 50 7.948 3.135 0.130 386 HZ PHE 50 HZ PHE 50 9.843 1.616 0.537 387 HB2 PHE 50 1HB PHE 50 8.741 5.084 5.088 388 HB3 PHE 50 2HB PHE 50 7.735 5.910 3.905 389 H LEU 51 H LEU 51 8.119 8.369 3.098 390 HA LEU 51 HA LEU 51 8.819 8.180 0.331 391 HG LEU 51 HG LEU 51 6.097 8.023 2.039 392 HB2 LEU 51 1HB LEU 51 7.113 10.260 1.748 393 HB3 LEU 51 2HB LEU 51 7.193 10.010 0.010 394 HD11 LEU 51 1HD1 LEU 51 4.611 9.923 1.705 395 HD12 LEU 51 2HD1 LEU 51 3.921 8.456 1.015 396 HD13 LEU 51 3HD1 LEU 51 4.649 9.669 -0.042 397 HD21 LEU 51 3HD2 LEU 51 5.390 6.657 0.127 398 HD22 LEU 51 1HD2 LEU 51 7.143 6.821 0.177 399 HD23 LEU 51 2HD2 LEU 51 6.204 7.763 -0.982 400 H SER 52 H SER 52 9.656 10.366 2.943 401 HA SER 52 HA SER 52 10.899 12.402 1.358 402 HG SER 52 HG SER 52 11.748 14.034 4.433 403 HB2 SER 52 1HB SER 52 9.948 12.844 3.613 404 HB3 SER 52 2HB SER 52 11.193 11.827 4.333 405 H GLN 53 H GLN 53 11.950 9.395 2.796 406 HA GLN 53 HA GLN 53 14.730 9.771 2.987 407 HB2 GLN 53 1HB GLN 53 13.143 7.219 2.499 408 HB3 GLN 53 2HB GLN 53 14.873 7.234 2.813 409 HG2 GLN 53 1HG GLN 53 12.705 8.141 4.723 410 HG3 GLN 53 2HG GLN 53 13.607 6.634 4.810 411 HE21 GLN 53 2HE2 GLN 53 13.359 8.739 6.809 412 HE22 GLN 53 1HE2 GLN 53 14.959 9.287 7.156 413 H HIS 54 H HIS 54 12.784 9.421 0.159 414 HA HIS 54 HA HIS 54 15.189 9.278 -1.548 415 HD1 HIS 54 HD1 HIS 54 16.267 6.629 -2.104 416 HD2 HIS 54 HD2 HIS 54 12.755 5.754 -0.073 417 HE1 HIS 54 HE1 HIS 54 16.802 4.652 -0.667 418 HE2 HIS 54 HE2 HIS 54 14.603 4.017 0.392 419 HB2 HIS 54 1HB HIS 54 12.631 7.680 -2.039 420 HB3 HIS 54 2HB HIS 54 14.032 7.727 -3.109 421 H LYS 55 H LYS 55 11.683 9.693 -1.620 422 HA LYS 55 HA LYS 55 10.227 11.025 -2.601 423 HB2 LYS 55 1HB LYS 55 12.586 12.894 -2.807 424 HB3 LYS 55 2HB LYS 55 11.048 13.308 -3.562 425 HG2 LYS 55 1HG LYS 55 9.947 12.981 -1.316 426 HG3 LYS 55 2HG LYS 55 11.558 12.805 -0.617 427 HD2 LYS 55 1HD LYS 55 10.636 15.101 -0.359 428 HD3 LYS 55 2HD LYS 55 12.147 15.075 -1.273 429 HE2 LYS 55 1HE LYS 55 10.841 15.240 -3.384 430 HE3 LYS 55 2HE LYS 55 9.352 15.319 -2.438 431 HZ1 LYS 55 3HZ LYS 55 10.072 17.363 -1.471 432 HZ2 LYS 55 1HZ LYS 55 10.182 17.498 -3.152 433 HZ3 LYS 55 2HZ LYS 55 11.581 17.265 -2.229 434 H ASP 56 H ASP 56 13.150 10.883 -4.667 435 HA ASP 56 HA ASP 56 11.547 10.513 -7.056 436 HB2 ASP 56 1HB ASP 56 13.727 11.702 -7.191 437 HB3 ASP 56 2HB ASP 56 14.559 10.256 -6.628 438 H LYS 57 H LYS 57 10.359 8.759 -6.121 439 HA LYS 57 HA LYS 57 11.265 6.194 -7.056 440 HB2 LYS 57 1HB LYS 57 11.198 4.927 -5.046 441 HB3 LYS 57 2HB LYS 57 12.129 6.350 -4.612 442 HG2 LYS 57 1HG LYS 57 9.202 5.898 -3.956 443 HG3 LYS 57 2HG LYS 57 10.545 5.665 -2.839 444 HD2 LYS 57 1HD LYS 57 10.968 7.980 -2.676 445 HD3 LYS 57 2HD LYS 57 10.114 8.329 -4.171 446 HE2 LYS 57 1HE LYS 57 8.726 7.379 -1.662 447 HE3 LYS 57 2HE LYS 57 8.932 9.079 -2.092 448 HZ1 LYS 57 3HZ LYS 57 7.484 7.042 -3.701 449 HZ2 LYS 57 1HZ LYS 57 7.719 8.653 -4.152 450 HZ3 LYS 57 2HZ LYS 57 6.785 8.286 -2.797 451 H LYS 58 H LYS 58 9.475 4.701 -7.225 452 HA LYS 58 HA LYS 58 6.805 5.971 -7.277 453 HB2 LYS 58 1HB LYS 58 7.895 4.941 -9.339 454 HB3 LYS 58 2HB LYS 58 7.668 3.365 -8.564 455 HG2 LYS 58 1HG LYS 58 5.312 3.532 -8.663 456 HG3 LYS 58 2HG LYS 58 5.354 5.266 -8.999 457 HD2 LYS 58 1HD LYS 58 4.796 3.941 -11.015 458 HD3 LYS 58 2HD LYS 58 6.281 4.871 -11.200 459 HE2 LYS 58 1HE LYS 58 7.621 2.837 -10.773 460 HE3 LYS 58 2HE LYS 58 6.139 1.902 -10.562 461 HZ1 LYS 58 3HZ LYS 58 6.897 3.309 -13.065 462 HZ2 LYS 58 1HZ LYS 58 5.577 2.272 -12.846 463 HZ3 LYS 58 2HZ LYS 58 7.149 1.659 -12.777 464 H VAL 59 H VAL 59 5.635 5.544 -5.462 465 HA VAL 59 HA VAL 59 5.936 2.928 -4.084 466 HB VAL 59 HB VAL 59 5.373 5.676 -2.869 467 HG11 VAL 59 1HG1 VAL 59 5.229 4.565 -0.653 468 HG12 VAL 59 2HG1 VAL 59 5.281 2.986 -1.449 469 HG13 VAL 59 3HG1 VAL 59 3.918 4.069 -1.725 470 HG21 VAL 59 3HG2 VAL 59 7.427 5.193 -1.543 471 HG22 VAL 59 1HG2 VAL 59 7.734 5.244 -3.280 472 HG23 VAL 59 2HG2 VAL 59 7.637 3.689 -2.447 473 H LEU 60 H LEU 60 4.178 1.780 -3.606 474 HA LEU 60 HA LEU 60 1.485 2.793 -4.348 475 HG LEU 60 HG LEU 60 0.079 0.097 -3.935 476 HB2 LEU 60 1HB LEU 60 2.310 0.967 -5.814 477 HB3 LEU 60 2HB LEU 60 2.596 -0.043 -4.406 478 HD11 LEU 60 1HD1 LEU 60 -0.445 2.061 -5.287 479 HD12 LEU 60 2HD1 LEU 60 -1.396 0.673 -5.806 480 HD13 LEU 60 3HD1 LEU 60 -0.005 1.191 -6.760 481 HD21 LEU 60 3HD2 LEU 60 0.960 -1.278 -6.493 482 HD22 LEU 60 1HD2 LEU 60 -0.490 -1.657 -5.561 483 HD23 LEU 60 2HD2 LEU 60 1.102 -1.925 -4.857 484 H LEU 61 H LEU 61 0.419 3.255 -2.460 485 HA LEU 61 HA LEU 61 0.839 1.715 -0.017 486 HG LEU 61 HG LEU 61 0.779 5.016 -1.001 487 HB2 LEU 61 1HB LEU 61 -1.292 3.835 -0.501 488 HB3 LEU 61 2HB LEU 61 -0.660 3.279 1.039 489 HD11 LEU 61 1HD1 LEU 61 -0.874 6.206 0.363 490 HD12 LEU 61 2HD1 LEU 61 0.764 6.714 0.760 491 HD13 LEU 61 3HD1 LEU 61 -0.102 5.614 1.835 492 HD21 LEU 61 3HD2 LEU 61 2.666 5.111 0.591 493 HD22 LEU 61 1HD2 LEU 61 2.419 3.484 -0.040 494 HD23 LEU 61 2HD2 LEU 61 1.880 3.887 1.591 495 H HIS 62 H HIS 62 0.056 -0.360 -0.376 496 HA HIS 62 HA HIS 62 -2.608 -0.716 -1.551 497 HD1 HIS 62 HD1 HIS 62 -2.738 -4.491 -0.121 498 HD2 HIS 62 HD2 HIS 62 1.174 -3.164 0.190 499 HE1 HIS 62 HE1 HIS 62 -1.643 -6.002 1.543 500 HE2 HIS 62 HE2 HIS 62 0.613 -4.996 1.902 501 HB2 HIS 62 1HB HIS 62 -2.026 -2.903 -2.028 502 HB3 HIS 62 2HB HIS 62 -0.414 -2.214 -1.963 503 H CYS 63 H CYS 63 -4.332 -1.657 -0.481 504 HA CYS 63 HA CYS 63 -4.147 -2.000 2.460 505 HG CYS 63 HG CYS 63 -6.014 -0.976 4.336 506 HB2 CYS 63 1HB CYS 63 -5.025 0.254 2.035 507 HB3 CYS 63 2HB CYS 63 -6.274 -0.408 0.980 508 H ARG 64 H ARG 64 -5.825 -3.251 3.384 509 HA ARG 64 HA ARG 64 -6.546 -5.646 2.180 510 HE ARG 64 HE ARG 64 -10.169 -7.766 5.428 511 HB2 ARG 64 1HB ARG 64 -6.444 -5.381 4.570 512 HB3 ARG 64 2HB ARG 64 -7.724 -4.179 4.558 513 HG2 ARG 64 1HG ARG 64 -9.391 -5.839 4.062 514 HG3 ARG 64 2HG ARG 64 -8.161 -7.066 3.746 515 HD2 ARG 64 1HD ARG 64 -7.545 -7.183 6.046 516 HD3 ARG 64 2HD ARG 64 -8.447 -5.721 6.443 517 HH11 ARG 64 1HH1 ARG 64 -8.418 -6.828 8.342 518 HH12 ARG 64 2HH1 ARG 64 -9.522 -7.630 9.411 519 HH21 ARG 64 1HH2 ARG 64 -11.632 -8.789 6.870 520 HH22 ARG 64 2HH2 ARG 64 -11.330 -8.732 8.579 521 H ALA 65 H ALA 65 -8.324 -2.587 2.164 522 HA ALA 65 HA ALA 65 -10.252 -3.782 0.248 523 HB1 ALA 65 3HB ALA 65 -10.943 -1.721 2.374 524 HB2 ALA 65 1HB ALA 65 -11.396 -3.426 2.407 525 HB3 ALA 65 2HB ALA 65 -12.043 -2.368 1.155 526 H GLY 66 H GLY 66 -9.038 -0.628 1.479 527 HA2 GLY 66 1HA GLY 66 -7.673 0.455 -0.500 528 HA3 GLY 66 2HA GLY 66 -9.272 0.552 -1.218 529 H ARG 67 H ARG 67 -10.195 0.961 1.750 530 HA ARG 67 HA ARG 67 -10.519 3.750 1.715 531 HE ARG 67 HE ARG 67 -10.092 5.770 3.758 532 HB2 ARG 67 1HB ARG 67 -12.044 2.344 2.976 533 HB3 ARG 67 2HB ARG 67 -10.745 1.731 3.980 534 HG2 ARG 67 1HG ARG 67 -12.135 3.270 5.243 535 HG3 ARG 67 2HG ARG 67 -10.518 3.940 5.058 536 HD2 ARG 67 1HD ARG 67 -12.706 4.750 3.136 537 HD3 ARG 67 2HD ARG 67 -12.623 5.486 4.736 538 HH11 ARG 67 1HH1 ARG 67 -13.229 6.724 2.488 539 HH12 ARG 67 2HH1 ARG 67 -12.607 8.146 1.719 540 HH21 ARG 67 1HH2 ARG 67 -9.302 7.620 2.714 541 HH22 ARG 67 2HH2 ARG 67 -10.392 8.662 1.862 542 H ARG 68 H ARG 68 -8.267 1.722 3.600 543 HA ARG 68 HA ARG 68 -6.994 3.918 4.929 544 HE ARG 68 HE ARG 68 -9.056 0.706 7.987 545 HB2 ARG 68 1HB ARG 68 -5.854 1.112 4.591 546 HB3 ARG 68 2HB ARG 68 -5.458 2.279 5.845 547 HG2 ARG 68 1HG ARG 68 -8.086 0.806 5.506 548 HG3 ARG 68 2HG ARG 68 -6.875 0.531 6.751 549 HD2 ARG 68 1HD ARG 68 -7.336 2.724 7.735 550 HD3 ARG 68 2HD ARG 68 -8.465 3.105 6.427 551 HH11 ARG 68 1HH1 ARG 68 -9.769 4.132 7.588 552 HH12 ARG 68 2HH1 ARG 68 -11.292 4.029 8.409 553 HH21 ARG 68 1HH2 ARG 68 -11.058 0.595 9.051 554 HH22 ARG 68 2HH2 ARG 68 -12.020 2.030 9.237 555 H ALA 69 H ALA 69 -6.408 2.168 1.952 556 HA ALA 69 HA ALA 69 -3.807 3.041 1.286 557 HB1 ALA 69 3HB ALA 69 -4.402 2.423 -1.025 558 HB2 ALA 69 1HB ALA 69 -6.108 2.351 -0.582 559 HB3 ALA 69 2HB ALA 69 -4.964 1.201 0.109 560 H LEU 70 H LEU 70 -6.952 4.282 0.211 561 HA LEU 70 HA LEU 70 -6.168 6.580 -1.153 562 HG LEU 70 HG LEU 70 -8.805 8.325 0.073 563 HB2 LEU 70 1HB LEU 70 -8.402 5.681 -1.391 564 HB3 LEU 70 2HB LEU 70 -8.725 5.861 0.324 565 HD11 LEU 70 1HD1 LEU 70 -7.243 8.640 -1.794 566 HD12 LEU 70 2HD1 LEU 70 -8.793 9.410 -2.122 567 HD13 LEU 70 3HD1 LEU 70 -8.393 7.876 -2.898 568 HD21 LEU 70 3HD2 LEU 70 -10.614 6.901 -1.909 569 HD22 LEU 70 1HD2 LEU 70 -10.917 8.473 -1.163 570 HD23 LEU 70 2HD2 LEU 70 -10.886 7.019 -0.169 571 H ASP 71 H ASP 71 -7.258 6.242 2.219 572 HA ASP 71 HA ASP 71 -7.256 8.916 2.995 573 HB2 ASP 71 1HB ASP 71 -8.296 6.994 4.225 574 HB3 ASP 71 2HB ASP 71 -6.696 6.490 4.751 575 H ALA 72 H ALA 72 -4.726 6.466 3.475 576 HA ALA 72 HA ALA 72 -2.755 8.020 4.707 577 HB1 ALA 72 3HB ALA 72 -2.761 5.547 4.584 578 HB2 ALA 72 1HB ALA 72 -1.226 6.227 4.058 579 HB3 ALA 72 2HB ALA 72 -2.379 5.635 2.866 580 H ALA 73 H ALA 73 -3.306 7.323 1.257 581 HA ALA 73 HA ALA 73 -1.020 8.633 0.238 582 HB1 ALA 73 3HB ALA 73 -2.091 8.429 -1.958 583 HB2 ALA 73 1HB ALA 73 -3.627 8.025 -1.190 584 HB3 ALA 73 2HB ALA 73 -2.251 6.928 -1.042 585 H LYS 74 H LYS 74 -4.306 9.791 0.933 586 HA LYS 74 HA LYS 74 -4.200 12.273 -0.408 587 HB2 LYS 74 1HB LYS 74 -5.734 11.640 2.143 588 HB3 LYS 74 2HB LYS 74 -5.999 13.036 1.103 589 HG2 LYS 74 1HG LYS 74 -6.468 11.229 -0.752 590 HG3 LYS 74 2HG LYS 74 -6.682 10.143 0.616 591 HD2 LYS 74 1HD LYS 74 -8.855 10.947 0.020 592 HD3 LYS 74 2HD LYS 74 -8.410 11.770 1.518 593 HE2 LYS 74 1HE LYS 74 -7.792 13.783 0.250 594 HE3 LYS 74 2HE LYS 74 -8.143 12.953 -1.270 595 HZ1 LYS 74 3HZ LYS 74 -9.948 14.385 -0.610 596 HZ2 LYS 74 1HZ LYS 74 -10.113 13.570 0.859 597 HZ3 LYS 74 2HZ LYS 74 -10.446 12.773 -0.592 598 H SER 75 H SER 75 -3.600 11.469 2.982 599 HA SER 75 HA SER 75 -2.781 13.894 3.982 600 HG SER 75 HG SER 75 -4.127 12.445 5.171 601 HB2 SER 75 1HB SER 75 -1.689 11.151 4.739 602 HB3 SER 75 2HB SER 75 -1.678 12.596 5.757 603 H MET 76 H MET 76 -0.833 11.504 2.242 604 HA MET 76 HA MET 76 1.708 12.766 2.596 605 HB2 MET 76 1HB MET 76 0.797 10.755 0.503 606 HB3 MET 76 2HB MET 76 2.470 11.200 0.827 607 HG2 MET 76 1HG MET 76 0.600 9.788 2.732 608 HG3 MET 76 2HG MET 76 1.951 9.080 1.851 609 HE1 MET 76 3HE MET 76 0.921 11.573 4.746 610 HE2 MET 76 1HE MET 76 2.165 11.074 5.892 611 HE3 MET 76 2HE MET 76 1.021 9.887 5.267 612 H HIS 77 H HIS 77 -0.668 12.803 -0.082 613 HA HIS 77 HA HIS 77 0.789 14.477 -1.836 614 HD1 HIS 77 HD1 HIS 77 -1.299 13.996 -5.048 615 HD2 HIS 77 HD2 HIS 77 -0.480 11.201 -2.076 616 HE1 HIS 77 HE1 HIS 77 -0.788 11.847 -6.242 617 HE2 HIS 77 HE2 HIS 77 -0.463 10.155 -4.429 618 HB2 HIS 77 1HB HIS 77 -2.137 13.772 -1.644 619 HB3 HIS 77 2HB HIS 77 -1.599 14.972 -2.804 620 H GLU 78 H GLU 78 -1.193 15.223 0.956 621 HA GLU 78 HA GLU 78 -1.383 18.059 0.487 622 HB2 GLU 78 1HB GLU 78 -1.652 16.631 3.167 623 HB3 GLU 78 2HB GLU 78 -2.332 18.194 2.716 624 HG2 GLU 78 1HG GLU 78 -3.137 15.522 1.567 625 HG3 GLU 78 2HG GLU 78 -4.023 16.381 2.789 626 H LEU 79 H LEU 79 0.956 15.915 1.951 627 HA LEU 79 HA LEU 79 2.624 18.039 3.058 628 HG LEU 79 HG LEU 79 1.313 15.370 4.160 629 HB2 LEU 79 1HB LEU 79 3.265 15.090 2.662 630 HB3 LEU 79 2HB LEU 79 4.172 16.225 3.657 631 HD11 LEU 79 1HD1 LEU 79 2.837 13.504 4.528 632 HD12 LEU 79 2HD1 LEU 79 2.143 14.067 6.045 633 HD13 LEU 79 3HD1 LEU 79 3.805 14.491 5.626 634 HD21 LEU 79 3HD2 LEU 79 1.538 16.475 6.356 635 HD22 LEU 79 1HD2 LEU 79 1.722 17.623 5.033 636 HD23 LEU 79 2HD2 LEU 79 3.145 17.051 5.908 637 H GLY 80 H GLY 80 2.146 16.680 -0.019 638 HA2 GLY 80 1HA GLY 80 3.035 17.864 -1.902 639 HA3 GLY 80 2HA GLY 80 4.549 18.083 -1.048 640 H TYR 81 H TYR 81 3.686 14.918 -0.454 641 HA TYR 81 HA TYR 81 5.462 13.884 -2.554 642 HD1 TYR 81 HD1 TYR 81 7.586 13.040 -0.995 643 HD2 TYR 81 HD2 TYR 81 4.235 13.235 1.668 644 HE1 TYR 81 HE1 TYR 81 9.054 13.830 0.809 645 HE2 TYR 81 HE2 TYR 81 5.720 14.018 3.460 646 HH TYR 81 HH TYR 81 8.858 15.135 2.896 647 HB2 TYR 81 1HB TYR 81 3.925 12.270 -0.472 648 HB3 TYR 81 2HB TYR 81 5.324 11.745 -1.406 649 H THR 82 H THR 82 4.657 11.761 -3.687 650 HA THR 82 HA THR 82 1.809 11.913 -4.457 651 HB THR 82 HB THR 82 2.552 11.582 -6.926 652 HG1 THR 82 HG1 THR 82 4.639 12.212 -7.458 653 HG21 THR 82 3HG2 THR 82 1.591 13.735 -6.203 654 HG22 THR 82 1HG2 THR 82 2.892 13.994 -7.371 655 HG23 THR 82 2HG2 THR 82 3.178 14.274 -5.655 656 HA PRO 83 HA PRO 83 3.146 7.382 -4.158 657 HB2 PRO 83 1HB PRO 83 1.694 6.641 -1.974 658 HB3 PRO 83 2HB PRO 83 3.337 7.283 -1.827 659 HG2 PRO 83 1HG PRO 83 0.706 8.735 -1.507 660 HG3 PRO 83 2HG PRO 83 2.134 8.764 -0.447 661 HD2 PRO 83 1HD PRO 83 1.663 10.731 -2.244 662 HD3 PRO 83 2HD PRO 83 3.313 10.204 -1.846 663 H TYR 84 H TYR 84 1.898 5.981 -5.238 664 HA TYR 84 HA TYR 84 -0.853 6.454 -5.975 665 HD1 TYR 84 HD2 TYR 84 2.831 5.666 -7.025 666 HD2 TYR 84 HD1 TYR 84 -0.870 5.472 -9.163 667 HE1 TYR 84 HE2 TYR 84 3.850 6.869 -8.911 668 HE2 TYR 84 HE1 TYR 84 0.152 6.686 -11.035 669 HH TYR 84 HH TYR 84 3.545 7.233 -11.254 670 HB2 TYR 84 1HB TYR 84 0.962 4.020 -6.381 671 HB3 TYR 84 2HB TYR 84 -0.630 4.223 -7.117 672 H TYR 85 H TYR 85 -2.420 4.480 -5.646 673 HA TYR 85 HA TYR 85 -1.971 3.051 -3.149 674 HD1 TYR 85 HD2 TYR 85 -3.546 6.902 -4.047 675 HD2 TYR 85 HD1 TYR 85 -6.231 3.706 -3.113 676 HE1 TYR 85 HE2 TYR 85 -5.401 8.140 -5.072 677 HE2 TYR 85 HE1 TYR 85 -8.072 4.955 -4.142 678 HH TYR 85 HH TYR 85 -7.618 7.561 -6.146 679 HB2 TYR 85 1HB TYR 85 -4.023 3.814 -2.060 680 HB3 TYR 85 2HB TYR 85 -2.946 5.162 -2.356 681 H LEU 86 H LEU 86 -2.932 1.135 -3.088 682 HA LEU 86 HA LEU 86 -4.416 0.234 -5.460 683 HG LEU 86 HG LEU 86 -2.778 -3.172 -5.145 684 HB2 LEU 86 1HB LEU 86 -2.280 -0.896 -4.919 685 HB3 LEU 86 2HB LEU 86 -2.884 -1.333 -3.340 686 HD11 LEU 86 1HD1 LEU 86 -4.805 -4.324 -4.419 687 HD12 LEU 86 2HD1 LEU 86 -5.439 -2.818 -3.753 688 HD13 LEU 86 3HD1 LEU 86 -3.990 -3.546 -3.062 689 HD21 LEU 86 3HD2 LEU 86 -5.269 -1.803 -6.186 690 HD22 LEU 86 1HD2 LEU 86 -4.628 -3.361 -6.717 691 HD23 LEU 86 2HD2 LEU 86 -3.710 -1.886 -7.011 692 H GLU 87 H GLU 87 -6.498 0.206 -5.236 693 HA GLU 87 HA GLU 87 -7.838 -0.520 -2.713 694 HB2 GLU 87 1HB GLU 87 -8.984 0.432 -5.385 695 HB3 GLU 87 2HB GLU 87 -9.922 0.115 -3.926 696 HG2 GLU 87 1HG GLU 87 -8.692 1.951 -2.772 697 HG3 GLU 87 2HG GLU 87 -7.817 2.277 -4.266 698 H GLY 88 H GLY 88 -7.952 -2.663 -2.453 699 HA2 GLY 88 1HA GLY 88 -9.191 -4.495 -4.161 700 HA3 GLY 88 2HA GLY 88 -7.456 -4.602 -4.455 701 H ASN 89 H ASN 89 -9.159 -6.644 -3.338 702 HA ASN 89 HA ASN 89 -8.943 -6.705 -0.476 703 HB2 ASN 89 1HB ASN 89 -9.738 -8.813 -2.507 704 HB3 ASN 89 2HB ASN 89 -9.748 -9.106 -0.774 705 HD21 ASN 89 2HD2 ASN 89 -11.286 -8.075 0.512 706 HD22 ASN 89 1HD2 ASN 89 -12.696 -7.339 -0.160 707 H VAL 90 H VAL 90 -7.242 -7.322 0.728 708 HA VAL 90 HA VAL 90 -4.737 -7.877 -0.448 709 HB VAL 90 HB VAL 90 -4.960 -6.639 1.685 710 HG11 VAL 90 1HG1 VAL 90 -6.705 -7.957 2.776 711 HG12 VAL 90 2HG1 VAL 90 -5.296 -7.806 3.823 712 HG13 VAL 90 3HG1 VAL 90 -5.594 -9.317 2.961 713 HG21 VAL 90 3HG2 VAL 90 -3.009 -7.598 2.859 714 HG22 VAL 90 1HG2 VAL 90 -2.765 -7.584 1.110 715 HG23 VAL 90 2HG2 VAL 90 -3.176 -9.090 1.931 716 H TYR 91 H TYR 91 -7.046 -10.039 1.177 717 HA TYR 91 HA TYR 91 -5.365 -12.362 1.188 718 HD1 TYR 91 HD1 TYR 91 -8.177 -10.201 2.964 719 HD2 TYR 91 HD2 TYR 91 -6.413 -13.994 3.825 720 HE1 TYR 91 HE1 TYR 91 -7.908 -9.534 5.306 721 HE2 TYR 91 HE2 TYR 91 -6.155 -13.334 6.185 722 HH TYR 91 HH TYR 91 -5.993 -11.299 7.530 723 HB2 TYR 91 1HB TYR 91 -8.407 -12.146 1.371 724 HB3 TYR 91 2HB TYR 91 -7.497 -13.623 1.668 725 H ASP 92 H ASP 92 -7.426 -10.862 -1.153 726 HA ASP 92 HA ASP 92 -7.728 -13.140 -2.898 727 HB2 ASP 92 1HB ASP 92 -8.526 -10.222 -3.161 728 HB3 ASP 92 2HB ASP 92 -8.750 -11.368 -4.478 729 H PHE 93 H PHE 93 -5.218 -10.802 -2.484 730 HA PHE 93 HA PHE 93 -4.250 -10.388 -5.072 731 HD1 PHE 93 HD2 PHE 93 -4.881 -8.567 -4.162 732 HD2 PHE 93 HD1 PHE 93 -1.454 -8.781 -1.638 733 HE1 PHE 93 HE2 PHE 93 -5.302 -6.272 -3.407 734 HE2 PHE 93 HE1 PHE 93 -1.877 -6.494 -0.897 735 HZ PHE 93 HZ PHE 93 -3.789 -5.226 -1.764 736 HB2 PHE 93 1HB PHE 93 -2.613 -10.855 -2.551 737 HB3 PHE 93 2HB PHE 93 -1.952 -10.224 -4.054 738 H GLU 94 H GLU 94 -3.689 -13.081 -2.871 739 HA GLU 94 HA GLU 94 -1.771 -14.488 -4.362 740 HB2 GLU 94 1HB GLU 94 -2.604 -14.644 -1.817 741 HB3 GLU 94 2HB GLU 94 -3.625 -15.927 -2.447 742 HG2 GLU 94 1HG GLU 94 -0.599 -15.843 -2.682 743 HG3 GLU 94 2HG GLU 94 -1.477 -16.708 -1.428 744 H LYS 95 H LYS 95 -5.350 -14.787 -4.249 745 HA LYS 95 HA LYS 95 -5.408 -17.091 -5.991 746 HB2 LYS 95 1HB LYS 95 -7.838 -16.968 -5.835 747 HB3 LYS 95 2HB LYS 95 -7.140 -16.774 -4.232 748 HG2 LYS 95 1HG LYS 95 -7.502 -14.358 -4.345 749 HG3 LYS 95 2HG LYS 95 -8.147 -14.508 -5.975 750 HD2 LYS 95 1HD LYS 95 -9.409 -15.767 -3.507 751 HD3 LYS 95 2HD LYS 95 -9.890 -14.218 -4.192 752 HE2 LYS 95 1HE LYS 95 -11.469 -15.740 -5.038 753 HE3 LYS 95 2HE LYS 95 -10.336 -15.513 -6.369 754 HZ1 LYS 95 3HZ LYS 95 -9.299 -17.610 -5.816 755 HZ2 LYS 95 1HZ LYS 95 -10.956 -17.837 -6.034 756 HZ3 LYS 95 2HZ LYS 95 -10.309 -17.801 -4.476 757 H TYR 96 H TYR 96 -5.457 -13.637 -6.478 758 HA TYR 96 HA TYR 96 -6.359 -13.722 -9.227 759 HD1 TYR 96 HD2 TYR 96 -7.663 -12.523 -6.610 760 HD2 TYR 96 HD1 TYR 96 -6.913 -9.941 -9.929 761 HE1 TYR 96 HE2 TYR 96 -9.950 -11.645 -6.446 762 HE2 TYR 96 HE1 TYR 96 -9.207 -9.070 -9.771 763 HH TYR 96 HH TYR 96 -11.216 -9.639 -7.078 764 HB2 TYR 96 1HB TYR 96 -5.152 -11.584 -7.455 765 HB3 TYR 96 2HB TYR 96 -5.161 -11.329 -9.194 766 H GLY 97 H GLY 97 -3.325 -14.186 -7.551 767 HA2 GLY 97 1HA GLY 97 -1.787 -15.719 -8.677 768 HA3 GLY 97 2HA GLY 97 -2.030 -14.817 -10.164 769 H PHE 98 H PHE 98 -1.639 -13.188 -7.096 770 HA PHE 98 HA PHE 98 0.990 -12.135 -7.945 771 HD1 PHE 98 HD2 PHE 98 1.011 -9.248 -8.499 772 HD2 PHE 98 HD1 PHE 98 -2.896 -10.727 -7.572 773 HE1 PHE 98 HE2 PHE 98 0.083 -7.981 -10.385 774 HE2 PHE 98 HE1 PHE 98 -3.818 -9.460 -9.478 775 HZ PHE 98 HZ PHE 98 -2.330 -8.088 -10.885 776 HB2 PHE 98 1HB PHE 98 -1.061 -11.007 -5.981 777 HB3 PHE 98 2HB PHE 98 0.517 -10.287 -6.293 778 H ARG 99 H ARG 99 2.757 -12.366 -6.664 779 HA ARG 99 HA ARG 99 2.944 -14.447 -4.773 780 HE ARG 99 HE ARG 99 6.885 -13.964 -1.901 781 HB2 ARG 99 1HB ARG 99 4.907 -13.957 -5.999 782 HB3 ARG 99 2HB ARG 99 4.815 -12.238 -5.667 783 HG2 ARG 99 1HG ARG 99 6.701 -13.222 -4.489 784 HG3 ARG 99 2HG ARG 99 5.505 -12.648 -3.335 785 HD2 ARG 99 1HD ARG 99 4.684 -14.994 -3.082 786 HD3 ARG 99 2HD ARG 99 5.992 -15.531 -4.148 787 HH11 ARG 99 1HH1 ARG 99 6.100 -17.252 -2.895 788 HH12 ARG 99 2HH1 ARG 99 7.051 -17.967 -1.634 789 HH21 ARG 99 1HH2 ARG 99 8.095 -14.936 -0.260 790 HH22 ARG 99 2HH2 ARG 99 8.167 -16.664 -0.149 791 H MET 100 H MET 100 2.520 -14.493 -2.718 792 HA MET 100 HA MET 100 2.559 -12.052 -1.039 793 HB2 MET 100 1HB MET 100 0.477 -14.282 -0.832 794 HB3 MET 100 2HB MET 100 0.620 -12.906 0.246 795 HG2 MET 100 1HG MET 100 0.195 -11.442 -1.819 796 HG3 MET 100 2HG MET 100 -0.302 -12.932 -2.624 797 HE1 MET 100 3HE MET 100 -0.799 -11.909 1.182 798 HE2 MET 100 1HE MET 100 -2.366 -11.112 1.069 799 HE3 MET 100 2HE MET 100 -0.966 -10.414 0.256 800 H VAL 101 H VAL 101 2.461 -12.752 1.348 801 HA VAL 101 HA VAL 101 4.005 -15.181 1.937 802 HB VAL 101 HB VAL 101 5.393 -13.830 3.628 803 HG11 VAL 101 1HG1 VAL 101 7.047 -13.101 1.950 804 HG12 VAL 101 2HG1 VAL 101 5.823 -13.225 0.683 805 HG13 VAL 101 3HG1 VAL 101 6.358 -14.673 1.539 806 HG21 VAL 101 3HG2 VAL 101 4.423 -11.450 1.987 807 HG22 VAL 101 1HG2 VAL 101 5.699 -11.412 3.209 808 HG23 VAL 101 2HG2 VAL 101 4.037 -11.768 3.679 809 H TYR 102 H TYR 102 2.691 -16.301 3.140 810 HA TYR 102 HA TYR 102 1.017 -15.101 5.277 811 HD1 TYR 102 HD2 TYR 102 0.473 -15.667 1.931 812 HD2 TYR 102 HD1 TYR 102 -2.325 -16.754 4.983 813 HE1 TYR 102 HE2 TYR 102 -1.336 -14.582 0.667 814 HE2 TYR 102 HE1 TYR 102 -4.126 -15.664 3.712 815 HH TYR 102 HH TYR 102 -3.736 -14.594 0.477 816 HB2 TYR 102 1HB TYR 102 0.805 -17.720 3.731 817 HB3 TYR 102 2HB TYR 102 -0.087 -17.456 5.226 818 H ASP 103 H ASP 103 0.989 -16.164 7.364 819 HA ASP 103 HA ASP 103 2.065 -16.701 9.286 820 HB2 ASP 103 1HB ASP 103 3.095 -18.971 7.525 821 HB3 ASP 103 2HB ASP 103 3.266 -18.932 9.278 822 H ASP 104 H ASP 104 3.285 -14.688 7.888 823 HA ASP 104 HA ASP 104 6.045 -15.063 7.286 824 HB2 ASP 104 1HB ASP 104 4.626 -13.333 6.217 825 HB3 ASP 104 2HB ASP 104 4.462 -12.492 7.751 826 H THR 105 H THR 105 4.340 -14.349 10.200 827 HA THR 105 HA THR 105 5.960 -12.892 11.813 828 HB THR 105 HB THR 105 3.861 -13.479 12.687 829 HG1 THR 105 HG1 THR 105 5.548 -13.444 14.282 830 HG21 THR 105 3HG2 THR 105 3.072 -15.748 13.217 831 HG22 THR 105 1HG2 THR 105 4.554 -16.426 12.538 832 HG23 THR 105 2HG2 THR 105 3.418 -15.570 11.495 833 H CYS 106 H CYS 106 6.156 -16.476 11.684 834 HA CYS 106 HA CYS 106 9.022 -16.506 12.032 835 HG CYS 106 HG CYS 106 9.154 -14.849 14.083 836 HB2 CYS 106 1HB CYS 106 7.217 -17.582 14.251 837 HB3 CYS 106 2HB CYS 106 8.940 -17.925 14.118 838 H ASP 107 H ASP 107 9.601 -19.022 12.468 839 HA ASP 107 HA ASP 107 8.641 -20.441 10.174 840 HB2 ASP 107 1HB ASP 107 10.962 -20.685 10.842 841 HB3 ASP 107 2HB ASP 107 10.501 -21.242 12.449 842 H LYS 108 H LYS 108 7.235 -22.086 10.023 843 HA LYS 108 HA LYS 108 6.067 -23.439 12.342 844 HB2 LYS 108 1HB LYS 108 4.684 -21.317 10.833 845 HB3 LYS 108 2HB LYS 108 3.786 -22.815 10.719 846 HG2 LYS 108 1HG LYS 108 4.622 -22.139 13.482 847 HG3 LYS 108 2HG LYS 108 3.562 -20.942 12.749 848 HD2 LYS 108 1HD LYS 108 2.223 -22.541 13.995 849 HD3 LYS 108 2HD LYS 108 1.895 -22.722 12.274 850 HE2 LYS 108 1HE LYS 108 3.348 -24.716 12.201 851 HE3 LYS 108 2HE LYS 108 3.707 -24.523 13.919 852 HZ1 LYS 108 3HZ LYS 108 1.984 -26.185 13.491 853 HZ2 LYS 108 1HZ LYS 108 1.002 -25.003 12.785 854 HZ3 LYS 108 2HZ LYS 108 1.395 -24.912 14.428 855 H LYS 109 H LYS 109 7.458 -23.701 9.351 856 HA LYS 109 HA LYS 109 6.114 -26.136 8.548 857 HB2 LYS 109 1HB LYS 109 5.339 -25.212 6.342 858 HB3 LYS 109 2HB LYS 109 4.483 -24.531 7.718 859 HG2 LYS 109 1HG LYS 109 6.085 -22.532 7.559 860 HG3 LYS 109 2HG LYS 109 6.613 -23.204 6.015 861 HD2 LYS 109 1HD LYS 109 4.933 -21.505 5.582 862 HD3 LYS 109 2HD LYS 109 4.250 -23.085 5.195 863 HE2 LYS 109 1HE LYS 109 3.063 -23.098 7.370 864 HE3 LYS 109 2HE LYS 109 3.748 -21.517 7.751 865 HZ1 LYS 109 3HZ LYS 109 1.905 -22.138 5.510 866 HZ2 LYS 109 1HZ LYS 109 2.594 -20.624 5.801 867 HZ3 LYS 109 2HZ LYS 109 1.515 -21.294 6.918 868 H ASN 110 H ASN 110 7.165 -27.260 6.896 869 HA ASN 110 HA ASN 110 9.753 -26.200 5.899 870 HB2 ASN 110 1HB ASN 110 9.058 -29.048 6.768 871 HB3 ASN 110 2HB ASN 110 10.457 -28.681 5.769 872 HD21 ASN 110 2HD2 ASN 110 9.054 -28.328 8.959 873 HD22 ASN 110 1HD2 ASN 110 10.509 -27.859 9.758
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