NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531501 | 2lo1 | 18190 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 16.445 1.214 12.558 2 HA2 GLY 1 1HA GLY 1 15.738 3.217 14.627 3 HA3 GLY 1 2HA GLY 1 17.365 2.995 13.954 4 H MET 2 H MET 2 16.949 2.808 11.237 5 HA MET 2 HA MET 2 15.141 4.941 10.349 6 HB2 MET 2 1HB MET 2 18.117 4.813 9.663 7 HB3 MET 2 2HB MET 2 16.927 5.889 8.926 8 HG2 MET 2 1HG MET 2 16.520 7.004 11.049 9 HG3 MET 2 2HG MET 2 17.584 5.882 11.894 10 HE1 MET 2 3HE MET 2 19.396 9.229 12.330 11 HE2 MET 2 1HE MET 2 17.669 8.856 12.366 12 HE3 MET 2 2HE MET 2 18.830 7.757 13.142 13 H VAL 3 H VAL 3 14.440 2.361 10.355 14 HA VAL 3 HA VAL 3 15.317 1.018 7.945 15 HB VAL 3 HB VAL 3 12.824 0.437 9.572 16 HG11 VAL 3 1HG1 VAL 3 14.497 -1.177 7.567 17 HG12 VAL 3 2HG1 VAL 3 13.160 -1.829 8.519 18 HG13 VAL 3 3HG1 VAL 3 12.840 -0.581 7.314 19 HG21 VAL 3 3HG2 VAL 3 14.797 0.250 11.047 20 HG22 VAL 3 1HG2 VAL 3 14.190 -1.350 10.633 21 HG23 VAL 3 2HG2 VAL 3 15.637 -0.729 9.822 22 H LYS 4 H LYS 4 15.049 2.041 6.163 23 HA LYS 4 HA LYS 4 12.280 2.867 5.379 24 HB2 LYS 4 1HB LYS 4 14.943 4.200 4.701 25 HB3 LYS 4 2HB LYS 4 13.498 4.431 3.746 26 HG2 LYS 4 1HG LYS 4 13.147 6.180 4.989 27 HG3 LYS 4 2HG LYS 4 12.361 5.051 6.069 28 HD2 LYS 4 1HD LYS 4 14.172 5.100 7.611 29 HD3 LYS 4 2HD LYS 4 15.314 5.737 6.393 30 HE2 LYS 4 1HE LYS 4 14.004 7.812 6.223 31 HE3 LYS 4 2HE LYS 4 12.859 7.218 7.433 32 HZ1 LYS 4 3HZ LYS 4 14.578 7.295 9.060 33 HZ2 LYS 4 1HZ LYS 4 14.446 8.749 8.315 34 HZ3 LYS 4 2HZ LYS 4 15.715 7.775 7.915 35 H GLU 5 H GLU 5 13.935 0.384 5.167 36 HA GLU 5 HA GLU 5 13.539 -0.123 2.251 37 HB2 GLU 5 1HB GLU 5 15.384 -1.767 2.419 38 HB3 GLU 5 2HB GLU 5 15.857 -0.086 2.511 39 HG2 GLU 5 1HG GLU 5 15.461 -1.510 5.144 40 HG3 GLU 5 2HG GLU 5 16.824 -2.000 4.139 41 H THR 6 H THR 6 11.302 -0.624 2.883 42 HA THR 6 HA THR 6 11.166 -3.486 3.476 43 HB THR 6 HB THR 6 8.767 -2.479 4.503 44 HG1 THR 6 1HG THR 6 9.320 -0.581 5.012 45 HG21 THR 6 3HG2 THR 6 9.415 -3.479 6.589 46 HG22 THR 6 1HG2 THR 6 11.124 -3.546 6.058 47 HG23 THR 6 2HG2 THR 6 9.854 -4.492 5.214 48 H THR 7 H THR 7 9.328 -4.498 2.617 49 HA THR 7 HA THR 7 8.546 -3.624 0.070 50 HB THR 7 HB THR 7 8.776 -5.955 0.937 51 HG1 THR 7 1HG THR 7 7.898 -5.920 -0.922 52 HG21 THR 7 3HG2 THR 7 5.996 -5.567 2.098 53 HG22 THR 7 1HG2 THR 7 7.482 -5.669 3.077 54 HG23 THR 7 2HG2 THR 7 6.964 -7.053 2.094 55 H TYR 8 H TYR 8 6.226 -3.933 -0.472 56 HA TYR 8 HA TYR 8 4.882 -1.495 -0.046 57 HB2 TYR 8 1HB TYR 8 3.994 -4.162 -1.219 58 HB3 TYR 8 2HB TYR 8 3.091 -2.682 -1.451 59 HD1 TYR 8 1HD TYR 8 5.257 -0.670 -1.957 60 HD2 TYR 8 2HD TYR 8 4.850 -4.741 -3.316 61 HE1 TYR 8 1HE TYR 8 6.742 -0.169 -3.850 62 HE2 TYR 8 2HE TYR 8 6.391 -4.274 -5.184 63 HH TYR 8 HH TYR 8 8.124 -2.711 -5.915 64 H TYR 9 H TYR 9 4.348 -4.613 1.565 65 HA TYR 9 HA TYR 9 1.811 -4.022 2.714 66 HB2 TYR 9 1HB TYR 9 4.156 -5.696 3.675 67 HB3 TYR 9 2HB TYR 9 2.643 -5.570 4.560 68 HD1 TYR 9 2HD TYR 9 0.423 -6.060 3.087 69 HD2 TYR 9 1HD TYR 9 4.376 -7.625 2.322 70 HE1 TYR 9 2HE TYR 9 -0.563 -8.076 2.054 71 HE2 TYR 9 1HE TYR 9 3.379 -9.614 1.296 72 HH TYR 9 HH TYR 9 -0.066 -9.893 0.633 73 H ASP 10 H ASP 10 5.118 -3.536 4.123 74 HA ASP 10 HA ASP 10 4.073 -2.328 6.501 75 HB2 ASP 10 1HB ASP 10 6.814 -2.771 5.344 76 HB3 ASP 10 2HB ASP 10 6.626 -1.675 6.709 77 H VAL 11 H VAL 11 4.848 -0.998 3.360 78 HA VAL 11 HA VAL 11 4.846 1.816 4.125 79 HB VAL 11 HB VAL 11 3.964 0.437 1.546 80 HG11 VAL 11 1HG1 VAL 11 2.866 2.621 1.661 81 HG12 VAL 11 2HG1 VAL 11 4.432 3.398 2.012 82 HG13 VAL 11 3HG1 VAL 11 4.135 2.618 0.445 83 HG21 VAL 11 3HG2 VAL 11 6.363 0.162 1.911 84 HG22 VAL 11 1HG2 VAL 11 6.056 1.286 0.585 85 HG23 VAL 11 2HG2 VAL 11 6.537 1.919 2.172 86 H LEU 12 H LEU 12 2.349 -0.572 3.273 87 HA LEU 12 HA LEU 12 0.244 1.398 3.286 88 HB2 LEU 12 1HB LEU 12 0.475 -1.585 2.772 89 HB3 LEU 12 2HB LEU 12 -1.114 -0.823 2.777 90 HG LEU 12 HG LEU 12 1.142 0.169 0.999 91 HD11 LEU 12 1HD1 LEU 12 0.627 -2.140 0.415 92 HD12 LEU 12 2HD1 LEU 12 -0.165 -1.095 -0.773 93 HD13 LEU 12 3HD1 LEU 12 -1.102 -1.808 0.534 94 HD21 LEU 12 3HD2 LEU 12 -0.546 1.850 1.353 95 HD22 LEU 12 1HD2 LEU 12 -1.864 0.688 1.175 96 HD23 LEU 12 2HD2 LEU 12 -0.865 1.122 -0.225 97 H GLY 13 H GLY 13 1.690 0.211 5.903 98 HA2 GLY 13 1HA GLY 13 1.054 0.168 8.110 99 HA3 GLY 13 2HA GLY 13 -0.487 0.902 7.631 100 H VAL 14 H VAL 14 0.574 -2.181 6.242 101 HA VAL 14 HA VAL 14 -1.253 -3.686 8.015 102 HB VAL 14 HB VAL 14 -1.896 -5.071 6.110 103 HG11 VAL 14 1HG1 VAL 14 -3.381 -3.217 6.747 104 HG12 VAL 14 2HG1 VAL 14 -2.564 -2.154 5.587 105 HG13 VAL 14 3HG1 VAL 14 -3.473 -3.571 5.019 106 HG21 VAL 14 3HG2 VAL 14 0.067 -4.584 4.619 107 HG22 VAL 14 1HG2 VAL 14 -1.497 -4.441 3.791 108 HG23 VAL 14 2HG2 VAL 14 -0.609 -2.986 4.295 109 H LYS 15 H LYS 15 -0.450 -5.790 8.486 110 HA LYS 15 HA LYS 15 2.388 -5.840 8.552 111 HB2 LYS 15 1HB LYS 15 1.965 -8.329 9.343 112 HB3 LYS 15 2HB LYS 15 1.650 -6.910 10.330 113 HG2 LYS 15 1HG LYS 15 -0.086 -8.440 10.686 114 HG3 LYS 15 2HG LYS 15 -0.732 -7.011 9.890 115 HD2 LYS 15 1HD LYS 15 -0.718 -8.264 7.744 116 HD3 LYS 15 2HD LYS 15 -0.169 -9.713 8.631 117 HE2 LYS 15 1HE LYS 15 -2.200 -9.232 10.218 118 HE3 LYS 15 2HE LYS 15 -2.819 -8.223 8.911 119 HZ1 LYS 15 3HZ LYS 15 -2.133 -10.770 7.885 120 HZ2 LYS 15 1HZ LYS 15 -3.609 -10.034 7.981 121 HZ3 LYS 15 2HZ LYS 15 -3.058 -10.953 9.234 122 HA PRO 16 HA PRO 16 3.721 -7.676 4.780 123 HB2 PRO 16 1HB PRO 16 5.721 -9.426 5.606 124 HB3 PRO 16 2HB PRO 16 5.835 -7.659 5.383 125 HG2 PRO 16 1HG PRO 16 5.253 -9.179 7.929 126 HG3 PRO 16 2HG PRO 16 6.455 -7.873 7.673 127 HD2 PRO 16 1HD PRO 16 4.076 -7.335 8.758 128 HD3 PRO 16 2HD PRO 16 4.730 -6.242 7.496 129 H ASN 17 H ASN 17 1.738 -9.278 6.569 130 HA ASN 17 HA ASN 17 1.411 -11.594 4.798 131 HB2 ASN 17 1HB ASN 17 0.965 -13.069 6.817 132 HB3 ASN 17 2HB ASN 17 2.637 -12.647 6.494 133 HD21 ASN 17 1HD2 ASN 17 0.325 -12.782 9.067 134 HD22 ASN 17 2HD2 ASN 17 1.349 -11.860 10.132 135 H ALA 18 H ALA 18 0.106 -9.107 4.795 136 HA ALA 18 HA ALA 18 -2.531 -9.440 6.044 137 HB1 ALA 18 1HB ALA 18 -3.015 -7.294 4.941 138 HB2 ALA 18 2HB ALA 18 -1.500 -7.210 5.852 139 HB3 ALA 18 3HB ALA 18 -1.468 -7.365 4.085 140 H THR 19 H THR 19 -4.505 -9.804 4.844 141 HA THR 19 HA THR 19 -4.176 -11.266 2.336 142 HB THR 19 HB THR 19 -6.833 -11.138 2.678 143 HG1 THR 19 1HG THR 19 -7.361 -11.051 4.832 144 HG21 THR 19 3HG2 THR 19 -5.403 -13.201 2.863 145 HG22 THR 19 1HG2 THR 19 -6.668 -13.170 4.097 146 HG23 THR 19 2HG2 THR 19 -4.999 -12.743 4.532 147 H GLN 20 H GLN 20 -5.431 -10.692 0.361 148 HA GLN 20 HA GLN 20 -5.166 -8.043 -0.549 149 HB2 GLN 20 1HB GLN 20 -7.334 -9.990 -1.397 150 HB3 GLN 20 2HB GLN 20 -6.781 -8.603 -2.304 151 HG2 GLN 20 1HG GLN 20 -5.085 -11.070 -1.717 152 HG3 GLN 20 2HG GLN 20 -5.884 -10.683 -3.247 153 HE21 GLN 20 1HE2 GLN 20 -5.154 -8.739 -4.481 154 HE22 GLN 20 2HE2 GLN 20 -3.676 -7.946 -4.022 155 H GLU 21 H GLU 21 -7.762 -9.464 1.451 156 HA GLU 21 HA GLU 21 -9.600 -7.334 0.997 157 HB2 GLU 21 1HB GLU 21 -9.375 -9.353 3.266 158 HB3 GLU 21 2HB GLU 21 -10.691 -8.174 3.044 159 HG2 GLU 21 1HG GLU 21 -10.940 -9.080 0.685 160 HG3 GLU 21 2HG GLU 21 -9.964 -10.471 1.208 161 H GLU 22 H GLU 22 -7.175 -8.031 3.525 162 HA GLU 22 HA GLU 22 -7.624 -5.781 5.183 163 HB2 GLU 22 1HB GLU 22 -5.242 -7.611 4.717 164 HB3 GLU 22 2HB GLU 22 -5.229 -6.304 5.920 165 HG2 GLU 22 1HG GLU 22 -7.218 -7.332 7.012 166 HG3 GLU 22 2HG GLU 22 -7.173 -8.644 5.834 167 H LEU 23 H LEU 23 -5.549 -6.211 2.256 168 HA LEU 23 HA LEU 23 -4.296 -3.697 2.218 169 HB2 LEU 23 1HB LEU 23 -5.289 -5.607 0.078 170 HB3 LEU 23 2HB LEU 23 -4.791 -4.008 -0.402 171 HG LEU 23 HG LEU 23 -3.084 -5.622 -0.769 172 HD11 LEU 23 1HD1 LEU 23 -1.202 -4.433 0.371 173 HD12 LEU 23 2HD1 LEU 23 -2.360 -3.593 1.380 174 HD13 LEU 23 3HD1 LEU 23 -2.382 -3.360 -0.388 175 HD21 LEU 23 3HD2 LEU 23 -1.752 -6.556 1.059 176 HD22 LEU 23 1HD2 LEU 23 -3.364 -7.240 0.898 177 HD23 LEU 23 2HD2 LEU 23 -3.023 -6.074 2.211 178 H LYS 24 H LYS 24 -7.216 -4.455 0.310 179 HA LYS 24 HA LYS 24 -7.725 -1.753 -0.296 180 HB2 LYS 24 1HB LYS 24 -8.514 -3.745 -1.536 181 HB3 LYS 24 2HB LYS 24 -9.656 -4.082 -0.244 182 HG2 LYS 24 1HG LYS 24 -10.840 -1.950 -0.736 183 HG3 LYS 24 2HG LYS 24 -9.665 -1.620 -2.029 184 HD2 LYS 24 1HD LYS 24 -10.333 -3.892 -3.027 185 HD3 LYS 24 2HD LYS 24 -11.663 -3.933 -1.868 186 HE2 LYS 24 1HE LYS 24 -11.164 -1.822 -4.013 187 HE3 LYS 24 2HE LYS 24 -12.353 -3.124 -4.103 188 HZ1 LYS 24 3HZ LYS 24 -12.425 -0.911 -2.137 189 HZ2 LYS 24 1HZ LYS 24 -13.528 -2.128 -2.245 190 HZ3 LYS 24 2HZ LYS 24 -13.365 -1.085 -3.483 191 H LYS 25 H LYS 25 -8.925 -3.674 2.481 192 HA LYS 25 HA LYS 25 -10.784 -1.722 3.458 193 HB2 LYS 25 1HB LYS 25 -9.183 -3.892 4.836 194 HB3 LYS 25 2HB LYS 25 -10.191 -2.743 5.726 195 HG2 LYS 25 1HG LYS 25 -12.128 -3.502 4.163 196 HG3 LYS 25 2HG LYS 25 -11.075 -4.867 3.757 197 HD2 LYS 25 1HD LYS 25 -10.850 -5.290 6.273 198 HD3 LYS 25 2HD LYS 25 -12.100 -4.047 6.500 199 HE2 LYS 25 1HE LYS 25 -13.575 -5.442 4.927 200 HE3 LYS 25 2HE LYS 25 -12.356 -6.712 5.036 201 HZ1 LYS 25 3HZ LYS 25 -12.707 -6.657 7.474 202 HZ2 LYS 25 1HZ LYS 25 -14.038 -7.131 6.604 203 HZ3 LYS 25 2HZ LYS 25 -13.949 -5.615 7.272 204 H ALA 26 H ALA 26 -7.232 -2.194 4.090 205 HA ALA 26 HA ALA 26 -7.123 -0.019 5.987 206 HB1 ALA 26 1HB ALA 26 -5.469 -1.758 6.149 207 HB2 ALA 26 2HB ALA 26 -4.976 -1.523 4.456 208 HB3 ALA 26 3HB ALA 26 -4.634 -0.267 5.659 209 H TYR 27 H TYR 27 -6.417 -0.365 2.535 210 HA TYR 27 HA TYR 27 -5.200 2.011 1.954 211 HB2 TYR 27 1HB TYR 27 -5.457 0.189 0.402 212 HB3 TYR 27 2HB TYR 27 -7.204 0.416 0.310 213 HD1 TYR 27 1HD TYR 27 -4.022 2.237 -0.206 214 HD2 TYR 27 2HD TYR 27 -8.082 1.745 -1.434 215 HE1 TYR 27 1HE TYR 27 -3.578 3.751 -2.159 216 HE2 TYR 27 2HE TYR 27 -7.631 3.111 -3.499 217 HH TYR 27 HH TYR 27 -5.429 3.656 -4.937 218 H ARG 28 H ARG 28 -8.792 1.464 1.819 219 HA ARG 28 HA ARG 28 -9.480 4.108 1.235 220 HB2 ARG 28 1HB ARG 28 -10.778 1.672 1.815 221 HB3 ARG 28 2HB ARG 28 -11.357 2.740 3.083 222 HG2 ARG 28 1HG ARG 28 -11.348 3.686 0.207 223 HG3 ARG 28 2HG ARG 28 -12.534 2.519 0.715 224 HD2 ARG 28 1HD ARG 28 -12.201 4.887 2.509 225 HD3 ARG 28 2HD ARG 28 -12.848 5.227 0.900 226 HE ARG 28 HE ARG 28 -14.254 3.013 2.049 227 HH11 ARG 28 1HH1 ARG 28 -14.061 6.536 2.170 228 HH12 ARG 28 2HH1 ARG 28 -15.720 6.766 2.571 229 HH21 ARG 28 1HH2 ARG 28 -16.350 3.241 2.617 230 HH22 ARG 28 2HH2 ARG 28 -17.085 4.809 2.895 231 H LYS 29 H LYS 29 -8.840 2.660 4.423 232 HA LYS 29 HA LYS 29 -9.719 4.915 5.986 233 HB2 LYS 29 1HB LYS 29 -7.608 2.817 6.690 234 HB3 LYS 29 2HB LYS 29 -8.389 3.907 7.823 235 HG2 LYS 29 1HG LYS 29 -10.537 2.844 7.506 236 HG3 LYS 29 2HG LYS 29 -9.937 1.955 6.101 237 HD2 LYS 29 1HD LYS 29 -10.034 0.381 7.869 238 HD3 LYS 29 2HD LYS 29 -8.354 0.708 7.530 239 HE2 LYS 29 1HE LYS 29 -8.541 0.607 9.874 240 HE3 LYS 29 2HE LYS 29 -8.283 2.308 9.481 241 HZ1 LYS 29 3HZ LYS 29 -10.006 1.773 11.150 242 HZ2 LYS 29 1HZ LYS 29 -10.948 1.127 9.989 243 HZ3 LYS 29 2HZ LYS 29 -10.537 2.752 9.942 244 H LEU 30 H LEU 30 -6.499 3.876 4.863 245 HA LEU 30 HA LEU 30 -5.110 6.162 5.898 246 HB2 LEU 30 1HB LEU 30 -4.389 4.267 3.686 247 HB3 LEU 30 2HB LEU 30 -3.312 5.510 4.310 248 HG LEU 30 HG LEU 30 -4.380 3.097 5.834 249 HD11 LEU 30 1HD1 LEU 30 -1.578 3.975 5.026 250 HD12 LEU 30 2HD1 LEU 30 -2.531 2.673 4.284 251 HD13 LEU 30 3HD1 LEU 30 -1.989 2.527 5.965 252 HD21 LEU 30 3HD2 LEU 30 -2.846 5.515 6.852 253 HD22 LEU 30 1HD2 LEU 30 -2.839 3.947 7.691 254 HD23 LEU 30 2HD2 LEU 30 -4.353 4.824 7.489 255 H ALA 31 H ALA 31 -6.621 5.561 2.691 256 HA ALA 31 HA ALA 31 -5.791 7.948 1.487 257 HB1 ALA 31 1HB ALA 31 -8.437 6.497 1.104 258 HB2 ALA 31 2HB ALA 31 -7.705 7.684 0.012 259 HB3 ALA 31 3HB ALA 31 -6.908 6.122 0.263 260 H LEU 32 H LEU 32 -8.827 7.454 3.389 261 HA LEU 32 HA LEU 32 -9.534 10.136 3.533 262 HB2 LEU 32 1HB LEU 32 -10.073 7.720 5.287 263 HB3 LEU 32 2HB LEU 32 -10.549 9.321 5.838 264 HG LEU 32 HG LEU 32 -11.693 9.679 3.627 265 HD11 LEU 32 1HD1 LEU 32 -10.714 7.778 2.340 266 HD12 LEU 32 2HD1 LEU 32 -12.468 7.808 2.329 267 HD13 LEU 32 3HD1 LEU 32 -11.602 6.673 3.404 268 HD21 LEU 32 3HD2 LEU 32 -12.917 9.122 5.742 269 HD22 LEU 32 1HD2 LEU 32 -12.767 7.393 5.336 270 HD23 LEU 32 2HD2 LEU 32 -13.734 8.472 4.313 271 H LYS 33 H LYS 33 -6.956 8.581 5.423 272 HA LYS 33 HA LYS 33 -6.729 10.799 7.326 273 HB2 LYS 33 1HB LYS 33 -6.018 8.552 8.004 274 HB3 LYS 33 2HB LYS 33 -4.941 8.427 6.631 275 HG2 LYS 33 1HG LYS 33 -3.589 8.795 8.535 276 HG3 LYS 33 2HG LYS 33 -3.523 10.228 7.546 277 HD2 LYS 33 1HD LYS 33 -3.668 11.123 9.649 278 HD3 LYS 33 2HD LYS 33 -5.364 11.180 9.179 279 HE2 LYS 33 1HE LYS 33 -5.947 9.365 10.605 280 HE3 LYS 33 2HE LYS 33 -4.276 8.776 10.667 281 HZ1 LYS 33 3HZ LYS 33 -3.665 10.642 11.983 282 HZ2 LYS 33 1HZ LYS 33 -4.849 9.805 12.735 283 HZ3 LYS 33 2HZ LYS 33 -5.211 11.237 12.002 284 H TYR 34 H TYR 34 -5.257 9.885 4.222 285 HA TYR 34 HA TYR 34 -3.364 12.154 4.366 286 HB2 TYR 34 1HB TYR 34 -3.382 9.602 2.724 287 HB3 TYR 34 2HB TYR 34 -2.159 10.854 2.615 288 HD1 TYR 34 2HD TYR 34 -1.125 11.600 4.988 289 HD2 TYR 34 1HD TYR 34 -2.749 7.724 4.075 290 HE1 TYR 34 2HE TYR 34 0.270 10.610 6.756 291 HE2 TYR 34 1HE TYR 34 -1.367 6.717 5.811 292 HH TYR 34 HH TYR 34 0.030 7.104 7.610 293 H HIS 35 H HIS 35 -6.390 11.752 3.030 294 HA HIS 35 HA HIS 35 -6.029 12.384 0.372 295 HB2 HIS 35 1HB HIS 35 -8.206 11.912 1.897 296 HB3 HIS 35 2HB HIS 35 -8.323 13.659 1.902 297 HD1 HIS 35 1HD HIS 35 -9.437 14.694 -0.327 298 HD2 HIS 35 2HD HIS 35 -8.276 10.639 -0.532 299 HE1 HIS 35 1HE HIS 35 -10.209 13.841 -2.570 300 HA PRO 36 HA PRO 36 -4.103 16.262 0.572 301 HB2 PRO 36 1HB PRO 36 -4.660 17.484 -1.831 302 HB3 PRO 36 2HB PRO 36 -3.595 16.048 -1.631 303 HG2 PRO 36 1HG PRO 36 -6.543 16.070 -2.377 304 HG3 PRO 36 2HG PRO 36 -5.200 15.217 -3.200 305 HD2 PRO 36 1HD PRO 36 -6.716 13.892 -1.462 306 HD3 PRO 36 2HD PRO 36 -4.944 13.687 -1.409 307 H ASP 37 H ASP 37 -7.483 16.460 -0.292 308 HA ASP 37 HA ASP 37 -8.355 19.019 0.277 309 HB2 ASP 37 1HB ASP 37 -9.721 17.075 -0.514 310 HB3 ASP 37 2HB ASP 37 -9.576 16.338 1.065 311 H LYS 38 H LYS 38 -7.430 16.486 2.575 312 HA LYS 38 HA LYS 38 -7.855 18.284 4.907 313 HB2 LYS 38 1HB LYS 38 -8.763 15.423 4.397 314 HB3 LYS 38 2HB LYS 38 -8.617 16.035 6.032 315 HG2 LYS 38 1HG LYS 38 -10.317 17.442 3.951 316 HG3 LYS 38 2HG LYS 38 -10.920 16.148 4.978 317 HD2 LYS 38 1HD LYS 38 -10.394 17.465 7.006 318 HD3 LYS 38 2HD LYS 38 -9.695 18.753 6.006 319 HE2 LYS 38 1HE LYS 38 -11.911 18.973 4.831 320 HE3 LYS 38 2HE LYS 38 -12.587 17.805 5.975 321 HZ1 LYS 38 3HZ LYS 38 -11.543 20.504 6.571 322 HZ2 LYS 38 1HZ LYS 38 -11.892 19.417 7.760 323 HZ3 LYS 38 2HZ LYS 38 -13.071 19.959 6.732 324 H ASN 39 H ASN 39 -5.466 17.351 3.171 325 HA ASN 39 HA ASN 39 -3.645 17.152 5.352 326 HB2 ASN 39 1HB ASN 39 -4.552 14.747 5.090 327 HB3 ASN 39 2HB ASN 39 -3.609 14.676 3.603 328 HD21 ASN 39 1HD2 ASN 39 -3.296 13.308 6.299 329 HD22 ASN 39 2HD2 ASN 39 -1.720 13.827 6.898 330 HA PRO 40 HA PRO 40 -2.268 18.864 1.234 331 HB2 PRO 40 1HB PRO 40 -1.328 21.290 2.134 332 HB3 PRO 40 2HB PRO 40 -3.037 20.985 1.714 333 HG2 PRO 40 1HG PRO 40 -1.776 21.016 4.452 334 HG3 PRO 40 2HG PRO 40 -3.333 21.729 3.925 335 HD2 PRO 40 1HD PRO 40 -3.157 19.307 5.190 336 HD3 PRO 40 2HD PRO 40 -4.419 19.643 3.967 337 H ASN 41 H ASN 41 -0.680 18.585 4.416 338 HA ASN 41 HA ASN 41 1.946 18.883 3.578 339 HB2 ASN 41 1HB ASN 41 2.100 17.396 5.811 340 HB3 ASN 41 2HB ASN 41 2.172 19.138 5.708 341 HD21 ASN 41 1HD2 ASN 41 0.009 20.191 5.841 342 HD22 ASN 41 2HD2 ASN 41 -0.999 19.696 7.134 343 H GLU 42 H GLU 42 -0.095 15.946 3.939 344 HA GLU 42 HA GLU 42 2.234 14.291 3.155 345 HB2 GLU 42 1HB GLU 42 -0.491 13.564 4.198 346 HB3 GLU 42 2HB GLU 42 0.872 12.478 4.048 347 HG2 GLU 42 1HG GLU 42 1.028 14.936 5.870 348 HG3 GLU 42 2HG GLU 42 0.318 13.415 6.378 349 H GLY 43 H GLY 43 0.136 15.888 1.254 350 HA2 GLY 43 1HA GLY 43 -1.195 14.007 -0.301 351 HA3 GLY 43 2HA GLY 43 -0.608 15.553 -0.905 352 H GLU 44 H GLU 44 2.284 14.891 -0.518 353 HA GLU 44 HA GLU 44 2.752 13.390 -2.965 354 HB2 GLU 44 1HB GLU 44 4.531 14.489 -0.779 355 HB3 GLU 44 2HB GLU 44 5.205 13.314 -1.900 356 HG2 GLU 44 1HG GLU 44 3.930 15.912 -2.815 357 HG3 GLU 44 2HG GLU 44 5.635 15.731 -2.448 358 H LYS 45 H LYS 45 2.612 12.524 0.445 359 HA LYS 45 HA LYS 45 3.905 9.950 0.265 360 HB2 LYS 45 1HB LYS 45 3.372 11.454 2.357 361 HB3 LYS 45 2HB LYS 45 1.757 10.743 2.263 362 HG2 LYS 45 1HG LYS 45 3.033 8.438 2.260 363 HG3 LYS 45 2HG LYS 45 4.377 9.393 2.877 364 HD2 LYS 45 1HD LYS 45 1.572 9.203 4.091 365 HD3 LYS 45 2HD LYS 45 3.027 8.376 4.715 366 HE2 LYS 45 1HE LYS 45 2.492 11.359 4.481 367 HE3 LYS 45 2HE LYS 45 2.407 10.431 5.971 368 HZ1 LYS 45 3HZ LYS 45 4.903 10.772 4.433 369 HZ2 LYS 45 1HZ LYS 45 4.716 10.210 5.986 370 HZ3 LYS 45 2HZ LYS 45 4.363 11.778 5.615 371 H PHE 46 H PHE 46 0.648 11.155 -0.322 372 HA PHE 46 HA PHE 46 -0.882 8.794 -0.218 373 HB2 PHE 46 1HB PHE 46 -1.435 11.323 -0.895 374 HB3 PHE 46 2HB PHE 46 -1.262 10.704 -2.509 375 HD1 PHE 46 1HD PHE 46 -2.580 7.800 -1.630 376 HD2 PHE 46 2HD PHE 46 -3.696 11.956 -1.349 377 HE1 PHE 46 1HE PHE 46 -4.929 7.156 -1.738 378 HE2 PHE 46 2HE PHE 46 -6.082 11.300 -1.564 379 HZ PHE 46 HZ PHE 46 -6.711 8.904 -1.722 380 H LYS 47 H LYS 47 1.279 10.043 -2.781 381 HA LYS 47 HA LYS 47 0.733 8.130 -4.697 382 HB2 LYS 47 1HB LYS 47 2.278 10.316 -4.638 383 HB3 LYS 47 2HB LYS 47 3.559 9.132 -4.319 384 HG2 LYS 47 1HG LYS 47 2.652 7.881 -6.412 385 HG3 LYS 47 2HG LYS 47 1.670 9.354 -6.684 386 HD2 LYS 47 1HD LYS 47 3.741 10.703 -6.719 387 HD3 LYS 47 2HD LYS 47 4.688 9.230 -6.398 388 HE2 LYS 47 1HE LYS 47 3.430 8.393 -8.613 389 HE3 LYS 47 2HE LYS 47 3.290 10.143 -8.901 390 HZ1 LYS 47 3HZ LYS 47 5.291 9.525 -9.842 391 HZ2 LYS 47 1HZ LYS 47 5.666 8.472 -8.651 392 HZ3 LYS 47 2HZ LYS 47 5.793 10.105 -8.359 393 H GLN 48 H GLN 48 2.938 7.730 -1.840 394 HA GLN 48 HA GLN 48 4.042 5.246 -2.827 395 HB2 GLN 48 1HB GLN 48 4.009 6.708 -0.185 396 HB3 GLN 48 2HB GLN 48 4.400 5.002 -0.188 397 HG2 GLN 48 1HG GLN 48 5.834 7.028 -1.909 398 HG3 GLN 48 2HG GLN 48 6.381 6.544 -0.314 399 HE21 GLN 48 1HE2 GLN 48 6.154 5.554 -3.696 400 HE22 GLN 48 2HE2 GLN 48 7.170 4.128 -3.493 401 H ILE 49 H ILE 49 1.055 6.144 -1.241 402 HA ILE 49 HA ILE 49 0.401 3.524 -0.227 403 HB ILE 49 HB ILE 49 -1.651 5.623 -1.026 404 HG12 ILE 49 1HG1 ILE 49 -0.097 5.598 1.585 405 HG13 ILE 49 2HG1 ILE 49 -0.003 6.831 0.348 406 HG21 ILE 49 1HG2 ILE 49 -2.169 3.216 -0.203 407 HG22 ILE 49 2HG2 ILE 49 -1.714 3.811 1.399 408 HG23 ILE 49 3HG2 ILE 49 -3.064 4.566 0.523 409 HD11 ILE 49 3HD1 ILE 49 -2.514 7.212 0.692 410 HD12 ILE 49 1HD1 ILE 49 -2.352 6.218 2.152 411 HD13 ILE 49 2HD1 ILE 49 -1.426 7.722 2.001 412 H SER 50 H SER 50 -0.598 5.408 -3.244 413 HA SER 50 HA SER 50 -1.944 3.242 -4.411 414 HB2 SER 50 1HB SER 50 -0.747 4.936 -6.400 415 HB3 SER 50 2HB SER 50 -2.436 4.749 -5.931 416 HG SER 50 HG SER 50 -2.379 6.504 -4.812 417 H GLN 51 H GLN 51 1.500 4.337 -4.863 418 HA GLN 51 HA GLN 51 2.302 2.524 -6.761 419 HB2 GLN 51 1HB GLN 51 3.498 4.534 -5.758 420 HB3 GLN 51 2HB GLN 51 3.868 3.546 -4.346 421 HG2 GLN 51 1HG GLN 51 5.827 3.621 -5.636 422 HG3 GLN 51 2HG GLN 51 5.156 2.014 -5.866 423 HE21 GLN 51 1HE2 GLN 51 5.344 1.373 -7.990 424 HE22 GLN 51 2HE2 GLN 51 5.142 2.385 -9.380 425 H ALA 52 H ALA 52 1.732 1.882 -3.356 426 HA ALA 52 HA ALA 52 3.022 -0.767 -3.437 427 HB1 ALA 52 1HB ALA 52 2.143 -0.821 -1.045 428 HB2 ALA 52 2HB ALA 52 3.226 0.525 -1.333 429 HB3 ALA 52 3HB ALA 52 1.480 0.795 -1.300 430 H TYR 53 H TYR 53 -0.268 0.560 -2.929 431 HA TYR 53 HA TYR 53 -1.544 -1.984 -2.828 432 HB2 TYR 53 1HB TYR 53 -2.519 -0.047 -1.822 433 HB3 TYR 53 2HB TYR 53 -2.501 0.840 -3.338 434 HD1 TYR 53 1HD TYR 53 -4.170 -2.085 -1.593 435 HD2 TYR 53 2HD TYR 53 -4.208 0.676 -4.914 436 HE1 TYR 53 1HE TYR 53 -6.469 -2.754 -2.119 437 HE2 TYR 53 2HE TYR 53 -6.514 -0.008 -5.474 438 HH TYR 53 HH TYR 53 -7.972 -1.909 -5.147 439 H GLU 54 H GLU 54 -0.412 -0.105 -5.543 440 HA GLU 54 HA GLU 54 -2.054 -1.071 -7.650 441 HB2 GLU 54 1HB GLU 54 -0.508 0.868 -7.801 442 HB3 GLU 54 2HB GLU 54 0.872 -0.192 -7.540 443 HG2 GLU 54 1HG GLU 54 0.842 0.298 -9.833 444 HG3 GLU 54 2HG GLU 54 0.287 -1.364 -9.720 445 H VAL 55 H VAL 55 1.147 -2.210 -6.463 446 HA VAL 55 HA VAL 55 1.336 -4.467 -8.197 447 HB VAL 55 HB VAL 55 2.678 -3.989 -5.482 448 HG11 VAL 55 1HG1 VAL 55 4.487 -5.403 -6.387 449 HG12 VAL 55 2HG1 VAL 55 2.972 -6.297 -6.285 450 HG13 VAL 55 3HG1 VAL 55 3.541 -5.702 -7.859 451 HG21 VAL 55 3HG2 VAL 55 3.105 -2.054 -6.918 452 HG22 VAL 55 1HG2 VAL 55 4.553 -3.056 -6.868 453 HG23 VAL 55 2HG2 VAL 55 3.482 -3.120 -8.283 454 H LEU 56 H LEU 56 -0.201 -3.925 -5.123 455 HA LEU 56 HA LEU 56 -0.759 -6.792 -4.684 456 HB2 LEU 56 1HB LEU 56 -1.155 -4.324 -2.972 457 HB3 LEU 56 2HB LEU 56 -1.430 -5.987 -2.426 458 HG LEU 56 HG LEU 56 1.282 -4.874 -3.298 459 HD11 LEU 56 1HD1 LEU 56 0.323 -5.703 -0.538 460 HD12 LEU 56 2HD1 LEU 56 0.553 -4.018 -1.108 461 HD13 LEU 56 3HD1 LEU 56 1.930 -5.121 -0.964 462 HD21 LEU 56 3HD2 LEU 56 1.156 -7.285 -3.809 463 HD22 LEU 56 1HD2 LEU 56 0.549 -7.618 -2.165 464 HD23 LEU 56 2HD2 LEU 56 2.182 -6.986 -2.417 465 H SER 57 H SER 57 -2.242 -4.786 -6.675 466 HA SER 57 HA SER 57 -4.952 -5.680 -5.804 467 HB2 SER 57 1HB SER 57 -3.934 -3.355 -7.415 468 HB3 SER 57 2HB SER 57 -5.648 -3.888 -7.485 469 HG SER 57 HG SER 57 -4.117 -2.863 -5.370 470 H ASP 58 H ASP 58 -2.607 -6.235 -8.410 471 HA ASP 58 HA ASP 58 -4.793 -7.658 -9.865 472 HB2 ASP 58 1HB ASP 58 -3.061 -6.164 -11.135 473 HB3 ASP 58 2HB ASP 58 -1.939 -7.456 -10.837 474 H ALA 59 H ALA 59 -4.703 -9.923 -10.093 475 HA ALA 59 HA ALA 59 -3.082 -11.277 -8.146 476 HB1 ALA 59 1HB ALA 59 -3.992 -13.352 -9.080 477 HB2 ALA 59 2HB ALA 59 -5.277 -12.165 -8.813 478 HB3 ALA 59 3HB ALA 59 -4.661 -12.465 -10.462 479 H LYS 60 H LYS 60 -2.356 -10.556 -11.741 480 HA LYS 60 HA LYS 60 -0.306 -12.586 -11.742 481 HB2 LYS 60 1HB LYS 60 -1.093 -10.234 -13.510 482 HB3 LYS 60 2HB LYS 60 0.405 -11.048 -13.656 483 HG2 LYS 60 1HG LYS 60 -0.962 -13.245 -13.938 484 HG3 LYS 60 2HG LYS 60 -2.316 -12.137 -14.262 485 HD2 LYS 60 1HD LYS 60 -0.617 -10.967 -15.920 486 HD3 LYS 60 2HD LYS 60 0.336 -12.425 -15.733 487 HE2 LYS 60 1HE LYS 60 -0.840 -12.789 -17.680 488 HE3 LYS 60 2HE LYS 60 -1.747 -13.726 -16.483 489 HZ1 LYS 60 3HZ LYS 60 -2.494 -10.966 -17.244 490 HZ2 LYS 60 1HZ LYS 60 -3.416 -12.108 -16.463 491 HZ3 LYS 60 2HZ LYS 60 -3.029 -12.284 -18.062 492 H LYS 61 H LYS 61 -0.564 -9.032 -11.160 493 HA LYS 61 HA LYS 61 2.314 -8.675 -10.886 494 HB2 LYS 61 1HB LYS 61 0.046 -7.044 -9.609 495 HB3 LYS 61 2HB LYS 61 1.764 -6.691 -9.456 496 HG2 LYS 61 1HG LYS 61 1.688 -6.756 -12.132 497 HG3 LYS 61 2HG LYS 61 -0.022 -6.442 -11.839 498 HD2 LYS 61 1HD LYS 61 1.002 -4.314 -12.168 499 HD3 LYS 61 2HD LYS 61 0.621 -4.447 -10.458 500 HE2 LYS 61 1HE LYS 61 2.809 -3.474 -10.632 501 HE3 LYS 61 2HE LYS 61 3.038 -5.118 -10.037 502 HZ1 LYS 61 3HZ LYS 61 3.677 -5.769 -12.274 503 HZ2 LYS 61 1HZ LYS 61 4.626 -4.574 -11.745 504 HZ3 LYS 61 2HZ LYS 61 3.474 -4.206 -12.826 505 H ARG 62 H ARG 62 -0.317 -9.246 -8.471 506 HA ARG 62 HA ARG 62 1.532 -9.590 -6.395 507 HB2 ARG 62 1HB ARG 62 -0.786 -9.349 -5.845 508 HB3 ARG 62 2HB ARG 62 -1.170 -10.937 -6.525 509 HG2 ARG 62 1HG ARG 62 0.094 -12.099 -4.908 510 HG3 ARG 62 2HG ARG 62 1.047 -10.690 -4.451 511 HD2 ARG 62 1HD ARG 62 -0.476 -9.853 -3.011 512 HD3 ARG 62 2HD ARG 62 -1.868 -10.658 -3.793 513 HE ARG 62 HE ARG 62 0.151 -11.806 -1.946 514 HH11 ARG 62 1HH1 ARG 62 -2.544 -12.507 -4.159 515 HH12 ARG 62 2HH1 ARG 62 -2.845 -14.083 -3.548 516 HH21 ARG 62 1HH2 ARG 62 -0.179 -13.992 -1.199 517 HH22 ARG 62 2HH2 ARG 62 -1.519 -14.920 -1.758 518 H GLU 63 H GLU 63 0.474 -12.178 -8.703 519 HA GLU 63 HA GLU 63 1.651 -14.369 -7.459 520 HB2 GLU 63 1HB GLU 63 1.279 -13.647 -10.380 521 HB3 GLU 63 2HB GLU 63 2.217 -15.059 -9.943 522 HG2 GLU 63 1HG GLU 63 0.395 -16.160 -8.904 523 HG3 GLU 63 2HG GLU 63 -0.617 -14.729 -8.960 524 H LEU 64 H LEU 64 3.221 -11.985 -9.627 525 HA LEU 64 HA LEU 64 5.786 -13.294 -9.288 526 HB2 LEU 64 1HB LEU 64 4.855 -10.772 -10.674 527 HB3 LEU 64 2HB LEU 64 6.554 -10.912 -10.269 528 HG LEU 64 HG LEU 64 6.198 -11.670 -12.517 529 HD11 LEU 64 1HD1 LEU 64 7.466 -13.667 -12.454 530 HD12 LEU 64 2HD1 LEU 64 6.764 -14.209 -10.938 531 HD13 LEU 64 3HD1 LEU 64 7.892 -12.843 -10.950 532 HD21 LEU 64 3HD2 LEU 64 4.418 -13.883 -11.429 533 HD22 LEU 64 1HD2 LEU 64 4.841 -13.557 -13.126 534 HD23 LEU 64 2HD2 LEU 64 3.835 -12.399 -12.222 535 H TYR 65 H TYR 65 4.267 -10.436 -7.821 536 HA TYR 65 HA TYR 65 6.396 -9.419 -6.287 537 HB2 TYR 65 1HB TYR 65 4.337 -8.256 -6.402 538 HB3 TYR 65 2HB TYR 65 3.455 -9.646 -5.787 539 HD1 TYR 65 2HD TYR 65 6.020 -7.132 -4.778 540 HD2 TYR 65 1HD TYR 65 3.084 -10.036 -3.496 541 HE1 TYR 65 2HE TYR 65 6.319 -6.414 -2.461 542 HE2 TYR 65 1HE TYR 65 3.320 -9.297 -1.186 543 HH TYR 65 HH TYR 65 5.828 -6.847 -0.262 544 H ASP 66 H ASP 66 4.220 -12.114 -5.507 545 HA ASP 66 HA ASP 66 4.998 -12.511 -2.888 546 HB2 ASP 66 1HB ASP 66 3.100 -13.521 -4.310 547 HB3 ASP 66 2HB ASP 66 4.250 -14.771 -4.777 548 H LYS 67 H LYS 67 6.634 -13.544 -5.777 549 HA LYS 67 HA LYS 67 8.767 -14.939 -4.183 550 HB2 LYS 67 1HB LYS 67 8.828 -16.582 -6.122 551 HB3 LYS 67 2HB LYS 67 7.449 -16.675 -5.042 552 HG2 LYS 67 1HG LYS 67 5.937 -15.875 -6.571 553 HG3 LYS 67 2HG LYS 67 7.118 -14.916 -7.467 554 HD2 LYS 67 1HD LYS 67 7.080 -17.955 -7.552 555 HD3 LYS 67 2HD LYS 67 6.168 -16.907 -8.659 556 HE2 LYS 67 1HE LYS 67 8.363 -15.685 -9.128 557 HE3 LYS 67 2HE LYS 67 9.203 -17.005 -8.300 558 HZ1 LYS 67 3HZ LYS 67 7.427 -17.264 -10.644 559 HZ2 LYS 67 1HZ LYS 67 8.232 -18.513 -9.960 560 HZ3 LYS 67 2HZ LYS 67 9.041 -17.286 -10.745 561 H GLY 68 H GLY 68 8.449 -12.240 -6.012 562 HA2 GLY 68 1HA GLY 68 11.234 -12.278 -6.935 563 HA3 GLY 68 2HA GLY 68 10.009 -12.355 -8.206 564 H GLY 69 H GLY 69 8.188 -10.625 -7.857 565 HA2 GLY 69 1HA GLY 69 7.443 -8.494 -7.629 566 HA3 GLY 69 2HA GLY 69 8.719 -8.209 -6.434 567 H GLU 70 H GLU 70 10.913 -8.553 -8.270 568 HA GLU 70 HA GLU 70 10.737 -6.025 -9.780 569 HB2 GLU 70 1HB GLU 70 12.751 -7.589 -8.415 570 HB3 GLU 70 2HB GLU 70 13.251 -7.337 -10.079 571 HG2 GLU 70 1HG GLU 70 14.063 -5.550 -8.552 572 HG3 GLU 70 2HG GLU 70 13.086 -4.948 -9.889 573 H GLN 71 H GLN 71 9.015 -7.284 -10.823 574 HA GLN 71 HA GLN 71 9.441 -7.261 -13.524 575 HB2 GLN 71 1HB GLN 71 8.736 -9.647 -14.125 576 HB3 GLN 71 2HB GLN 71 10.401 -9.369 -13.689 577 HG2 GLN 71 1HG GLN 71 9.831 -10.236 -11.328 578 HG3 GLN 71 2HG GLN 71 8.293 -10.747 -12.026 579 HE21 GLN 71 1HE2 GLN 71 11.235 -11.953 -11.169 580 HE22 GLN 71 2HE2 GLN 71 11.515 -13.092 -12.484 Start of MODEL 2 1 H1 GLY 1 H GLY 1 13.269 3.549 13.088 2 HA2 GLY 1 1HA GLY 1 15.838 5.024 13.176 3 HA3 GLY 1 2HA GLY 1 15.710 3.306 12.717 4 H MET 2 H MET 2 16.838 4.916 10.844 5 HA MET 2 HA MET 2 14.749 5.579 8.840 6 HB2 MET 2 1HB MET 2 17.774 5.839 8.751 7 HB3 MET 2 2HB MET 2 16.622 6.424 7.549 8 HG2 MET 2 1HG MET 2 16.822 7.373 10.427 9 HG3 MET 2 2HG MET 2 17.403 8.232 9.014 10 HE1 MET 2 3HE MET 2 16.179 10.334 9.953 11 HE2 MET 2 1HE MET 2 14.443 10.402 10.321 12 HE3 MET 2 2HE MET 2 15.518 9.397 11.314 13 H VAL 3 H VAL 3 14.663 2.890 9.649 14 HA VAL 3 HA VAL 3 15.926 1.274 7.555 15 HB VAL 3 HB VAL 3 13.634 0.665 9.472 16 HG11 VAL 3 1HG1 VAL 3 13.535 -0.793 7.473 17 HG12 VAL 3 2HG1 VAL 3 15.249 -1.202 7.669 18 HG13 VAL 3 3HG1 VAL 3 14.056 -1.707 8.887 19 HG21 VAL 3 3HG2 VAL 3 15.751 1.009 10.693 20 HG22 VAL 3 1HG2 VAL 3 15.308 -0.704 10.685 21 HG23 VAL 3 2HG2 VAL 3 16.581 -0.109 9.595 22 H LYS 4 H LYS 4 15.419 2.743 5.865 23 HA LYS 4 HA LYS 4 12.604 3.265 5.211 24 HB2 LYS 4 1HB LYS 4 15.220 4.150 3.950 25 HB3 LYS 4 2HB LYS 4 13.640 4.632 3.349 26 HG2 LYS 4 1HG LYS 4 14.810 5.315 6.061 27 HG3 LYS 4 2HG LYS 4 14.585 6.403 4.711 28 HD2 LYS 4 1HD LYS 4 12.377 5.107 6.356 29 HD3 LYS 4 2HD LYS 4 12.898 6.779 6.440 30 HE2 LYS 4 1HE LYS 4 12.165 7.196 4.124 31 HE3 LYS 4 2HE LYS 4 11.815 5.489 3.895 32 HZ1 LYS 4 3HZ LYS 4 10.318 7.267 5.701 33 HZ2 LYS 4 1HZ LYS 4 10.079 5.635 5.531 34 HZ3 LYS 4 2HZ LYS 4 9.817 6.614 4.263 35 H GLU 5 H GLU 5 13.723 0.517 5.090 36 HA GLU 5 HA GLU 5 13.303 -0.202 2.258 37 HB2 GLU 5 1HB GLU 5 15.078 -1.908 2.625 38 HB3 GLU 5 2HB GLU 5 15.601 -0.245 2.471 39 HG2 GLU 5 1HG GLU 5 15.888 -0.109 4.970 40 HG3 GLU 5 2HG GLU 5 15.459 -1.812 5.084 41 H THR 6 H THR 6 11.169 -0.849 2.546 42 HA THR 6 HA THR 6 10.877 -3.376 3.881 43 HB THR 6 HB THR 6 8.559 -1.717 4.565 44 HG1 THR 6 1HG THR 6 9.803 -0.044 5.000 45 HG21 THR 6 3HG2 THR 6 8.963 -3.907 5.467 46 HG22 THR 6 1HG2 THR 6 8.997 -2.736 6.802 47 HG23 THR 6 2HG2 THR 6 10.525 -3.389 6.154 48 H THR 7 H THR 7 8.969 -4.515 3.123 49 HA THR 7 HA THR 7 8.428 -3.941 0.420 50 HB THR 7 HB THR 7 8.508 -6.169 1.534 51 HG1 THR 7 1HG THR 7 7.839 -6.417 -0.362 52 HG21 THR 7 3HG2 THR 7 5.605 -5.638 2.225 53 HG22 THR 7 1HG2 THR 7 6.914 -5.648 3.441 54 HG23 THR 7 2HG2 THR 7 6.518 -7.122 2.518 55 H TYR 8 H TYR 8 6.207 -4.176 -0.304 56 HA TYR 8 HA TYR 8 4.881 -1.663 -0.049 57 HB2 TYR 8 1HB TYR 8 3.976 -4.277 -1.319 58 HB3 TYR 8 2HB TYR 8 3.147 -2.746 -1.556 59 HD1 TYR 8 2HD TYR 8 5.240 -0.752 -2.009 60 HD2 TYR 8 1HD TYR 8 5.115 -4.881 -3.241 61 HE1 TYR 8 2HE TYR 8 6.746 -0.222 -3.904 62 HE2 TYR 8 1HE TYR 8 6.650 -4.368 -5.102 63 HH TYR 8 HH TYR 8 8.482 -2.566 -5.622 64 H TYR 9 H TYR 9 4.083 -4.774 1.498 65 HA TYR 9 HA TYR 9 1.576 -4.024 2.635 66 HB2 TYR 9 1HB TYR 9 3.814 -5.820 3.625 67 HB3 TYR 9 2HB TYR 9 2.343 -5.568 4.522 68 HD1 TYR 9 1HD TYR 9 0.076 -5.972 3.248 69 HD2 TYR 9 2HD TYR 9 3.857 -7.755 2.186 70 HE1 TYR 9 1HE TYR 9 -1.102 -7.951 2.395 71 HE2 TYR 9 2HE TYR 9 2.678 -9.720 1.315 72 HH TYR 9 HH TYR 9 -0.737 -10.256 2.003 73 H ASP 10 H ASP 10 4.928 -3.629 3.946 74 HA ASP 10 HA ASP 10 4.000 -2.472 6.393 75 HB2 ASP 10 1HB ASP 10 6.547 -3.269 5.211 76 HB3 ASP 10 2HB ASP 10 6.705 -1.697 5.991 77 H VAL 11 H VAL 11 5.027 -1.121 3.293 78 HA VAL 11 HA VAL 11 4.971 1.681 3.933 79 HB VAL 11 HB VAL 11 4.308 0.125 1.394 80 HG11 VAL 11 1HG1 VAL 11 4.626 2.319 0.201 81 HG12 VAL 11 2HG1 VAL 11 3.136 2.188 1.132 82 HG13 VAL 11 3HG1 VAL 11 4.516 3.133 1.769 83 HG21 VAL 11 3HG2 VAL 11 6.769 1.800 1.986 84 HG22 VAL 11 1HG2 VAL 11 6.706 0.030 2.163 85 HG23 VAL 11 2HG2 VAL 11 6.456 0.774 0.582 86 H LEU 12 H LEU 12 2.388 -0.616 2.961 87 HA LEU 12 HA LEU 12 0.323 1.380 3.224 88 HB2 LEU 12 1HB LEU 12 0.320 -1.625 2.828 89 HB3 LEU 12 2HB LEU 12 -1.163 -0.676 2.900 90 HG LEU 12 HG LEU 12 1.060 -0.030 0.924 91 HD11 LEU 12 1HD1 LEU 12 0.284 -2.369 0.601 92 HD12 LEU 12 2HD1 LEU 12 -0.152 -1.313 -0.748 93 HD13 LEU 12 3HD1 LEU 12 -1.389 -1.767 0.439 94 HD21 LEU 12 3HD2 LEU 12 -0.510 1.769 1.272 95 HD22 LEU 12 1HD2 LEU 12 -1.895 0.677 1.054 96 HD23 LEU 12 2HD2 LEU 12 -0.804 1.035 -0.302 97 H GLY 13 H GLY 13 2.105 0.093 5.651 98 HA2 GLY 13 1HA GLY 13 1.779 0.296 7.919 99 HA3 GLY 13 2HA GLY 13 0.194 1.025 7.604 100 H VAL 14 H VAL 14 0.717 -2.060 6.106 101 HA VAL 14 HA VAL 14 -0.809 -3.443 8.248 102 HB VAL 14 HB VAL 14 -1.666 -4.922 6.493 103 HG11 VAL 14 1HG1 VAL 14 -2.369 -2.007 5.963 104 HG12 VAL 14 2HG1 VAL 14 -3.328 -3.423 5.476 105 HG13 VAL 14 3HG1 VAL 14 -3.106 -3.059 7.184 106 HG21 VAL 14 3HG2 VAL 14 -1.529 -4.436 4.146 107 HG22 VAL 14 1HG2 VAL 14 -0.645 -2.922 4.444 108 HG23 VAL 14 2HG2 VAL 14 0.130 -4.474 4.782 109 H LYS 15 H LYS 15 0.002 -5.465 8.830 110 HA LYS 15 HA LYS 15 2.806 -5.754 8.572 111 HB2 LYS 15 1HB LYS 15 2.253 -8.164 9.469 112 HB3 LYS 15 2HB LYS 15 2.097 -6.719 10.453 113 HG2 LYS 15 1HG LYS 15 0.288 -8.231 10.867 114 HG3 LYS 15 2HG LYS 15 -0.308 -6.710 10.221 115 HD2 LYS 15 1HD LYS 15 -0.599 -7.774 8.023 116 HD3 LYS 15 2HD LYS 15 0.068 -9.283 8.656 117 HE2 LYS 15 1HE LYS 15 -2.341 -9.462 8.530 118 HE3 LYS 15 2HE LYS 15 -1.834 -9.492 10.212 119 HZ1 LYS 15 3HZ LYS 15 -3.810 -8.071 9.459 120 HZ2 LYS 15 1HZ LYS 15 -2.703 -6.934 9.039 121 HZ3 LYS 15 2HZ LYS 15 -2.781 -7.445 10.588 122 HA PRO 16 HA PRO 16 3.391 -7.771 4.718 123 HB2 PRO 16 1HB PRO 16 5.587 -9.356 5.070 124 HB3 PRO 16 2HB PRO 16 5.599 -7.566 5.048 125 HG2 PRO 16 1HG PRO 16 5.461 -9.380 7.460 126 HG3 PRO 16 2HG PRO 16 6.596 -8.020 7.161 127 HD2 PRO 16 1HD PRO 16 4.364 -7.668 8.637 128 HD3 PRO 16 2HD PRO 16 4.896 -6.404 7.488 129 H ASN 17 H ASN 17 1.882 -9.342 7.011 130 HA ASN 17 HA ASN 17 1.393 -11.731 5.310 131 HB2 ASN 17 1HB ASN 17 2.645 -12.320 7.405 132 HB3 ASN 17 2HB ASN 17 1.258 -11.742 8.342 133 HD21 ASN 17 1HD2 ASN 17 1.141 -14.015 9.179 134 HD22 ASN 17 2HD2 ASN 17 0.529 -15.277 8.142 135 H ALA 18 H ALA 18 0.125 -8.929 5.516 136 HA ALA 18 HA ALA 18 -2.562 -9.389 6.520 137 HB1 ALA 18 1HB ALA 18 -1.758 -7.106 6.335 138 HB2 ALA 18 2HB ALA 18 -1.396 -7.309 4.619 139 HB3 ALA 18 3HB ALA 18 -3.071 -7.309 5.176 140 H THR 19 H THR 19 -4.480 -9.727 5.279 141 HA THR 19 HA THR 19 -4.136 -11.345 2.896 142 HB THR 19 HB THR 19 -6.810 -11.200 3.277 143 HG1 THR 19 1HG THR 19 -7.296 -10.947 5.391 144 HG21 THR 19 3HG2 THR 19 -4.943 -12.661 5.216 145 HG22 THR 19 1HG2 THR 19 -5.339 -13.239 3.584 146 HG23 THR 19 2HG2 THR 19 -6.607 -13.129 4.803 147 H GLN 20 H GLN 20 -5.574 -10.983 1.009 148 HA GLN 20 HA GLN 20 -5.421 -8.620 -0.447 149 HB2 GLN 20 1HB GLN 20 -7.727 -10.595 -0.333 150 HB3 GLN 20 2HB GLN 20 -7.462 -9.407 -1.601 151 HG2 GLN 20 1HG GLN 20 -5.039 -10.997 -1.290 152 HG3 GLN 20 2HG GLN 20 -6.439 -12.069 -1.413 153 HE21 GLN 20 1HE2 GLN 20 -4.749 -9.352 -3.008 154 HE22 GLN 20 2HE2 GLN 20 -5.236 -9.743 -4.616 155 H GLU 21 H GLU 21 -7.938 -9.611 1.944 156 HA GLU 21 HA GLU 21 -9.600 -7.333 1.513 157 HB2 GLU 21 1HB GLU 21 -9.515 -9.240 3.903 158 HB3 GLU 21 2HB GLU 21 -10.792 -8.091 3.449 159 HG2 GLU 21 1HG GLU 21 -10.804 -9.308 1.202 160 HG3 GLU 21 2HG GLU 21 -10.090 -10.670 2.092 161 H GLU 22 H GLU 22 -7.259 -8.175 4.126 162 HA GLU 22 HA GLU 22 -7.663 -5.865 5.694 163 HB2 GLU 22 1HB GLU 22 -5.289 -7.729 5.292 164 HB3 GLU 22 2HB GLU 22 -5.248 -6.365 6.423 165 HG2 GLU 22 1HG GLU 22 -7.385 -7.313 7.467 166 HG3 GLU 22 2HG GLU 22 -7.134 -8.756 6.482 167 H LEU 23 H LEU 23 -5.464 -6.429 2.927 168 HA LEU 23 HA LEU 23 -4.235 -3.898 2.791 169 HB2 LEU 23 1HB LEU 23 -5.028 -5.972 0.734 170 HB3 LEU 23 2HB LEU 23 -4.374 -4.437 0.198 171 HG LEU 23 HG LEU 23 -2.900 -6.140 2.241 172 HD11 LEU 23 1HD1 LEU 23 -1.585 -7.004 0.269 173 HD12 LEU 23 2HD1 LEU 23 -2.780 -6.251 -0.803 174 HD13 LEU 23 3HD1 LEU 23 -3.263 -7.558 0.289 175 HD21 LEU 23 3HD2 LEU 23 -0.966 -4.852 1.416 176 HD22 LEU 23 1HD2 LEU 23 -2.217 -3.732 1.951 177 HD23 LEU 23 2HD2 LEU 23 -1.990 -4.035 0.219 178 H LYS 24 H LYS 24 -7.207 -4.915 0.980 179 HA LYS 24 HA LYS 24 -7.621 -2.296 -0.056 180 HB2 LYS 24 1HB LYS 24 -8.493 -4.368 -1.027 181 HB3 LYS 24 2HB LYS 24 -9.640 -4.544 0.321 182 HG2 LYS 24 1HG LYS 24 -10.718 -2.409 -0.352 183 HG3 LYS 24 2HG LYS 24 -9.546 -2.211 -1.652 184 HD2 LYS 24 1HD LYS 24 -10.347 -4.365 -2.657 185 HD3 LYS 24 2HD LYS 24 -11.533 -4.471 -1.334 186 HE2 LYS 24 1HE LYS 24 -12.474 -2.281 -2.038 187 HE3 LYS 24 2HE LYS 24 -11.371 -2.249 -3.424 188 HZ1 LYS 24 3HZ LYS 24 -13.753 -3.166 -3.697 189 HZ2 LYS 24 1HZ LYS 24 -13.189 -4.535 -3.013 190 HZ3 LYS 24 2HZ LYS 24 -12.529 -4.001 -4.416 191 H LYS 25 H LYS 25 -8.986 -3.806 2.894 192 HA LYS 25 HA LYS 25 -10.752 -1.600 3.489 193 HB2 LYS 25 1HB LYS 25 -9.526 -3.670 5.353 194 HB3 LYS 25 2HB LYS 25 -10.743 -2.467 5.805 195 HG2 LYS 25 1HG LYS 25 -12.195 -3.443 3.886 196 HG3 LYS 25 2HG LYS 25 -11.061 -4.800 3.881 197 HD2 LYS 25 1HD LYS 25 -11.548 -4.843 6.475 198 HD3 LYS 25 2HD LYS 25 -12.968 -3.893 6.048 199 HE2 LYS 25 1HE LYS 25 -12.236 -6.709 5.132 200 HE3 LYS 25 2HE LYS 25 -13.540 -6.248 6.216 201 HZ1 LYS 25 3HZ LYS 25 -14.635 -5.156 4.307 202 HZ2 LYS 25 1HZ LYS 25 -14.389 -6.758 4.119 203 HZ3 LYS 25 2HZ LYS 25 -13.428 -5.740 3.305 204 H ALA 26 H ALA 26 -7.299 -2.303 4.400 205 HA ALA 26 HA ALA 26 -6.977 -0.039 6.073 206 HB1 ALA 26 1HB ALA 26 -5.344 -1.859 6.079 207 HB2 ALA 26 2HB ALA 26 -4.904 -1.516 4.390 208 HB3 ALA 26 3HB ALA 26 -4.541 -0.334 5.647 209 H TYR 27 H TYR 27 -6.363 -0.504 2.565 210 HA TYR 27 HA TYR 27 -5.162 1.878 1.943 211 HB2 TYR 27 1HB TYR 27 -5.443 0.027 0.371 212 HB3 TYR 27 2HB TYR 27 -7.176 0.319 0.273 213 HD1 TYR 27 2HD TYR 27 -3.834 1.620 -0.571 214 HD2 TYR 27 1HD TYR 27 -8.074 2.222 -1.019 215 HE1 TYR 27 2HE TYR 27 -3.397 3.290 -2.366 216 HE2 TYR 27 1HE TYR 27 -7.656 3.835 -2.857 217 HH TYR 27 HH TYR 27 -4.548 4.200 -4.380 218 H ARG 28 H ARG 28 -8.705 1.276 1.900 219 HA ARG 28 HA ARG 28 -9.547 3.879 1.265 220 HB2 ARG 28 1HB ARG 28 -10.730 1.438 2.356 221 HB3 ARG 28 2HB ARG 28 -11.422 2.844 3.149 222 HG2 ARG 28 1HG ARG 28 -11.254 2.624 0.110 223 HG3 ARG 28 2HG ARG 28 -12.580 1.959 1.064 224 HD2 ARG 28 1HD ARG 28 -12.784 4.312 2.108 225 HD3 ARG 28 2HD ARG 28 -11.788 4.854 0.736 226 HE ARG 28 HE ARG 28 -13.699 3.588 -0.605 227 HH11 ARG 28 1HH1 ARG 28 -13.970 5.923 2.057 228 HH12 ARG 28 2HH1 ARG 28 -15.434 6.624 1.494 229 HH21 ARG 28 1HH2 ARG 28 -15.809 4.298 -1.199 230 HH22 ARG 28 2HH2 ARG 28 -16.528 5.629 -0.374 231 H LYS 29 H LYS 29 -8.984 2.599 4.648 232 HA LYS 29 HA LYS 29 -9.565 5.241 5.698 233 HB2 LYS 29 1HB LYS 29 -8.992 4.315 7.903 234 HB3 LYS 29 2HB LYS 29 -10.211 3.439 7.015 235 HG2 LYS 29 1HG LYS 29 -9.036 1.720 7.960 236 HG3 LYS 29 2HG LYS 29 -8.397 1.774 6.342 237 HD2 LYS 29 1HD LYS 29 -6.393 1.660 7.385 238 HD3 LYS 29 2HD LYS 29 -6.557 3.385 7.605 239 HE2 LYS 29 1HE LYS 29 -7.497 1.254 9.575 240 HE3 LYS 29 2HE LYS 29 -5.918 2.045 9.655 241 HZ1 LYS 29 3HZ LYS 29 -7.487 3.017 11.158 242 HZ2 LYS 29 1HZ LYS 29 -8.522 3.428 9.971 243 HZ3 LYS 29 2HZ LYS 29 -7.027 4.138 10.021 244 H LEU 30 H LEU 30 -6.857 4.304 4.036 245 HA LEU 30 HA LEU 30 -5.131 6.182 5.552 246 HB2 LEU 30 1HB LEU 30 -4.519 4.076 3.505 247 HB3 LEU 30 2HB LEU 30 -3.332 5.257 4.065 248 HG LEU 30 HG LEU 30 -4.836 3.390 5.964 249 HD11 LEU 30 1HD1 LEU 30 -2.065 3.019 4.762 250 HD12 LEU 30 2HD1 LEU 30 -3.506 2.045 4.396 251 HD13 LEU 30 3HD1 LEU 30 -2.812 2.018 6.024 252 HD21 LEU 30 3HD2 LEU 30 -3.046 3.970 7.540 253 HD22 LEU 30 1HD2 LEU 30 -3.845 5.455 7.000 254 HD23 LEU 30 2HD2 LEU 30 -2.296 4.991 6.304 255 H ALA 31 H ALA 31 -6.430 5.512 2.262 256 HA ALA 31 HA ALA 31 -5.582 7.938 1.081 257 HB1 ALA 31 1HB ALA 31 -6.577 6.119 -0.240 258 HB2 ALA 31 2HB ALA 31 -8.110 6.252 0.658 259 HB3 ALA 31 3HB ALA 31 -7.591 7.568 -0.408 260 H LEU 32 H LEU 32 -8.649 7.197 2.840 261 HA LEU 32 HA LEU 32 -9.530 9.891 2.945 262 HB2 LEU 32 1HB LEU 32 -10.222 7.381 4.525 263 HB3 LEU 32 2HB LEU 32 -10.846 8.948 4.990 264 HG LEU 32 HG LEU 32 -11.631 9.253 2.590 265 HD11 LEU 32 1HD1 LEU 32 -12.248 7.254 1.352 266 HD12 LEU 32 2HD1 LEU 32 -11.455 6.230 2.584 267 HD13 LEU 32 3HD1 LEU 32 -10.505 7.318 1.543 268 HD21 LEU 32 3HD2 LEU 32 -13.761 8.082 3.131 269 HD22 LEU 32 1HD2 LEU 32 -13.119 8.907 4.542 270 HD23 LEU 32 2HD2 LEU 32 -12.928 7.148 4.393 271 H LYS 33 H LYS 33 -6.819 8.616 4.639 272 HA LYS 33 HA LYS 33 -7.106 10.617 6.828 273 HB2 LYS 33 1HB LYS 33 -6.163 8.556 7.638 274 HB3 LYS 33 2HB LYS 33 -4.982 8.484 6.320 275 HG2 LYS 33 1HG LYS 33 -3.859 10.491 7.132 276 HG3 LYS 33 2HG LYS 33 -5.086 10.758 8.362 277 HD2 LYS 33 1HD LYS 33 -3.322 8.276 8.309 278 HD3 LYS 33 2HD LYS 33 -2.831 9.802 9.025 279 HE2 LYS 33 1HE LYS 33 -5.239 9.566 10.238 280 HE3 LYS 33 2HE LYS 33 -4.895 7.850 9.992 281 HZ1 LYS 33 3HZ LYS 33 -3.982 8.525 12.096 282 HZ2 LYS 33 1HZ LYS 33 -3.247 9.834 11.466 283 HZ3 LYS 33 2HZ LYS 33 -2.678 8.371 11.087 284 H TYR 34 H TYR 34 -4.670 9.667 4.376 285 HA TYR 34 HA TYR 34 -3.372 12.241 4.441 286 HB2 TYR 34 1HB TYR 34 -2.969 9.816 2.662 287 HB3 TYR 34 2HB TYR 34 -1.835 11.129 2.877 288 HD1 TYR 34 1HD TYR 34 -1.117 11.581 5.512 289 HD2 TYR 34 2HD TYR 34 -2.536 7.812 3.873 290 HE1 TYR 34 1HE TYR 34 -0.196 10.352 7.427 291 HE2 TYR 34 2HE TYR 34 -1.330 6.629 5.532 292 HH TYR 34 HH TYR 34 -0.234 6.738 7.628 293 H HIS 35 H HIS 35 -6.263 12.154 3.318 294 HA HIS 35 HA HIS 35 -5.980 12.419 0.461 295 HB2 HIS 35 1HB HIS 35 -8.125 12.111 2.130 296 HB3 HIS 35 2HB HIS 35 -8.190 13.854 1.950 297 HD1 HIS 35 1HD HIS 35 -9.467 14.637 -0.319 298 HD2 HIS 35 2HD HIS 35 -8.248 10.598 -0.163 299 HE1 HIS 35 1HE HIS 35 -10.306 13.579 -2.421 300 HA PRO 36 HA PRO 36 -4.040 16.403 0.746 301 HB2 PRO 36 1HB PRO 36 -4.543 17.515 -1.730 302 HB3 PRO 36 2HB PRO 36 -3.400 16.159 -1.434 303 HG2 PRO 36 1HG PRO 36 -6.287 15.973 -2.338 304 HG3 PRO 36 2HG PRO 36 -4.851 15.176 -3.065 305 HD2 PRO 36 1HD PRO 36 -6.437 13.847 -1.350 306 HD3 PRO 36 2HD PRO 36 -4.657 13.671 -1.233 307 H ASP 37 H ASP 37 -7.357 16.124 -0.004 308 HA ASP 37 HA ASP 37 -8.254 18.806 0.328 309 HB2 ASP 37 1HB ASP 37 -9.240 16.419 -0.642 310 HB3 ASP 37 2HB ASP 37 -10.121 16.538 0.860 311 H LYS 38 H LYS 38 -7.347 16.430 2.734 312 HA LYS 38 HA LYS 38 -8.353 18.239 4.888 313 HB2 LYS 38 1HB LYS 38 -8.446 15.203 4.610 314 HB3 LYS 38 2HB LYS 38 -8.442 15.938 6.210 315 HG2 LYS 38 1HG LYS 38 -10.403 16.744 4.071 316 HG3 LYS 38 2HG LYS 38 -10.700 15.436 5.178 317 HD2 LYS 38 1HD LYS 38 -11.188 16.846 6.918 318 HD3 LYS 38 2HD LYS 38 -9.819 17.877 6.557 319 HE2 LYS 38 1HE LYS 38 -11.126 18.924 4.685 320 HE3 LYS 38 2HE LYS 38 -12.520 17.954 5.163 321 HZ1 LYS 38 3HZ LYS 38 -12.700 20.102 6.138 322 HZ2 LYS 38 1HZ LYS 38 -11.196 20.065 6.784 323 HZ3 LYS 38 2HZ LYS 38 -12.388 19.091 7.366 324 H ASN 39 H ASN 39 -5.645 16.704 3.482 325 HA ASN 39 HA ASN 39 -3.960 17.173 5.879 326 HB2 ASN 39 1HB ASN 39 -4.373 14.803 5.926 327 HB3 ASN 39 2HB ASN 39 -4.210 14.678 4.167 328 HD21 ASN 39 1HD2 ASN 39 -2.467 15.231 7.228 329 HD22 ASN 39 2HD2 ASN 39 -0.900 14.788 6.560 330 HA PRO 40 HA PRO 40 -2.521 19.213 2.014 331 HB2 PRO 40 1HB PRO 40 -1.419 21.441 3.178 332 HB3 PRO 40 2HB PRO 40 -3.156 21.293 2.753 333 HG2 PRO 40 1HG PRO 40 -1.795 20.937 5.427 334 HG3 PRO 40 2HG PRO 40 -3.346 21.760 5.075 335 HD2 PRO 40 1HD PRO 40 -3.177 19.193 6.040 336 HD3 PRO 40 2HD PRO 40 -4.503 19.717 4.959 337 H ASN 41 H ASN 41 -0.847 18.063 4.796 338 HA ASN 41 HA ASN 41 1.816 18.780 3.902 339 HB2 ASN 41 1HB ASN 41 1.085 17.160 6.362 340 HB3 ASN 41 2HB ASN 41 2.422 18.265 6.094 341 HD21 ASN 41 1HD2 ASN 41 2.064 20.580 6.523 342 HD22 ASN 41 2HD2 ASN 41 0.478 21.145 7.042 343 H GLU 42 H GLU 42 -0.146 15.792 3.998 344 HA GLU 42 HA GLU 42 2.239 14.137 3.368 345 HB2 GLU 42 1HB GLU 42 -0.046 13.562 5.275 346 HB3 GLU 42 2HB GLU 42 0.911 12.312 4.511 347 HG2 GLU 42 1HG GLU 42 2.910 13.144 5.442 348 HG3 GLU 42 2HG GLU 42 2.159 14.635 6.041 349 H GLY 43 H GLY 43 0.220 15.760 1.701 350 HA2 GLY 43 1HA GLY 43 -1.370 13.996 0.191 351 HA3 GLY 43 2HA GLY 43 -0.742 15.556 -0.349 352 H GLU 44 H GLU 44 2.180 14.540 -0.063 353 HA GLU 44 HA GLU 44 2.293 12.931 -2.561 354 HB2 GLU 44 1HB GLU 44 4.373 14.294 -0.839 355 HB3 GLU 44 2HB GLU 44 4.820 12.916 -1.843 356 HG2 GLU 44 1HG GLU 44 3.829 14.059 -3.843 357 HG3 GLU 44 2HG GLU 44 3.661 15.529 -2.837 358 H LYS 45 H LYS 45 2.270 12.455 0.913 359 HA LYS 45 HA LYS 45 3.575 9.864 0.897 360 HB2 LYS 45 1HB LYS 45 2.894 11.433 2.921 361 HB3 LYS 45 2HB LYS 45 1.330 10.617 2.769 362 HG2 LYS 45 1HG LYS 45 2.832 8.430 2.771 363 HG3 LYS 45 2HG LYS 45 3.991 9.476 3.580 364 HD2 LYS 45 1HD LYS 45 1.074 9.163 4.420 365 HD3 LYS 45 2HD LYS 45 2.349 8.163 5.104 366 HE2 LYS 45 1HE LYS 45 2.461 11.188 5.105 367 HE3 LYS 45 2HE LYS 45 1.602 10.306 6.371 368 HZ1 LYS 45 3HZ LYS 45 4.480 10.005 5.801 369 HZ2 LYS 45 1HZ LYS 45 3.618 9.250 6.988 370 HZ3 LYS 45 2HZ LYS 45 3.770 10.877 7.024 371 H PHE 46 H PHE 46 0.385 11.077 0.057 372 HA PHE 46 HA PHE 46 -1.103 8.725 -0.247 373 HB2 PHE 46 1HB PHE 46 -1.572 11.268 -0.932 374 HB3 PHE 46 2HB PHE 46 -1.148 10.681 -2.522 375 HD1 PHE 46 2HD PHE 46 -2.358 7.988 -2.760 376 HD2 PHE 46 1HD PHE 46 -3.869 11.524 -0.787 377 HE1 PHE 46 2HE PHE 46 -4.649 7.147 -3.024 378 HE2 PHE 46 1HE PHE 46 -6.175 10.705 -1.148 379 HZ PHE 46 HZ PHE 46 -6.572 8.516 -2.261 380 H LYS 47 H LYS 47 1.381 10.097 -2.499 381 HA LYS 47 HA LYS 47 1.119 8.176 -4.466 382 HB2 LYS 47 1HB LYS 47 2.534 10.445 -4.281 383 HB3 LYS 47 2HB LYS 47 3.844 9.328 -3.873 384 HG2 LYS 47 1HG LYS 47 3.217 8.037 -5.997 385 HG3 LYS 47 2HG LYS 47 2.087 9.364 -6.352 386 HD2 LYS 47 1HD LYS 47 3.997 10.967 -6.411 387 HD3 LYS 47 2HD LYS 47 5.097 9.640 -5.967 388 HE2 LYS 47 1HE LYS 47 4.310 8.411 -8.024 389 HE3 LYS 47 2HE LYS 47 3.477 9.881 -8.543 390 HZ1 LYS 47 3HZ LYS 47 6.370 9.810 -7.931 391 HZ2 LYS 47 1HZ LYS 47 5.587 10.975 -8.739 392 HZ3 LYS 47 2HZ LYS 47 5.794 9.477 -9.422 393 H GLN 48 H GLN 48 3.062 8.004 -1.481 394 HA GLN 48 HA GLN 48 4.387 5.545 -2.126 395 HB2 GLN 48 1HB GLN 48 3.826 7.122 0.373 396 HB3 GLN 48 2HB GLN 48 4.232 5.430 0.578 397 HG2 GLN 48 1HG GLN 48 6.021 7.149 -1.143 398 HG3 GLN 48 2HG GLN 48 6.077 7.309 0.613 399 HE21 GLN 48 1HE2 GLN 48 6.305 4.831 -2.001 400 HE22 GLN 48 2HE2 GLN 48 7.208 3.670 -1.042 401 H ILE 49 H ILE 49 1.123 6.260 -0.941 402 HA ILE 49 HA ILE 49 0.497 3.579 -0.040 403 HB ILE 49 HB ILE 49 -1.601 5.525 -1.054 404 HG12 ILE 49 1HG1 ILE 49 -0.448 5.665 1.755 405 HG13 ILE 49 2HG1 ILE 49 -0.254 6.846 0.484 406 HG21 ILE 49 1HG2 ILE 49 -3.096 4.374 0.366 407 HG22 ILE 49 2HG2 ILE 49 -2.101 3.112 -0.359 408 HG23 ILE 49 3HG2 ILE 49 -1.778 3.637 1.305 409 HD11 ILE 49 3HD1 ILE 49 -2.838 6.975 0.414 410 HD12 ILE 49 1HD1 ILE 49 -2.760 6.148 1.994 411 HD13 ILE 49 2HD1 ILE 49 -1.970 7.718 1.785 412 H SER 50 H SER 50 -0.284 5.523 -3.126 413 HA SER 50 HA SER 50 -1.674 3.410 -4.289 414 HB2 SER 50 1HB SER 50 -1.130 4.945 -6.303 415 HB3 SER 50 2HB SER 50 -2.223 5.517 -5.035 416 HG SER 50 HG SER 50 -0.284 6.842 -5.909 417 H GLN 51 H GLN 51 1.743 4.529 -4.696 418 HA GLN 51 HA GLN 51 2.542 2.766 -6.704 419 HB2 GLN 51 1HB GLN 51 3.746 4.750 -5.587 420 HB3 GLN 51 2HB GLN 51 4.119 3.675 -4.244 421 HG2 GLN 51 1HG GLN 51 6.066 3.551 -5.407 422 HG3 GLN 51 2HG GLN 51 5.229 2.201 -6.148 423 HE21 GLN 51 1HE2 GLN 51 5.186 2.258 -8.433 424 HE22 GLN 51 2HE2 GLN 51 5.405 3.723 -9.379 425 H ALA 52 H ALA 52 2.002 2.075 -3.251 426 HA ALA 52 HA ALA 52 3.250 -0.588 -3.434 427 HB1 ALA 52 1HB ALA 52 1.740 0.902 -1.215 428 HB2 ALA 52 2HB ALA 52 2.332 -0.751 -1.042 429 HB3 ALA 52 3HB ALA 52 3.476 0.572 -1.261 430 H TYR 53 H TYR 53 0.012 0.783 -2.914 431 HA TYR 53 HA TYR 53 -1.378 -1.656 -2.808 432 HB2 TYR 53 1HB TYR 53 -2.173 0.569 -2.051 433 HB3 TYR 53 2HB TYR 53 -2.294 1.097 -3.723 434 HD1 TYR 53 1HD TYR 53 -3.556 -1.544 -1.335 435 HD2 TYR 53 2HD TYR 53 -4.347 0.861 -4.840 436 HE1 TYR 53 1HE TYR 53 -5.855 -2.422 -1.414 437 HE2 TYR 53 2HE TYR 53 -6.658 0.023 -4.915 438 HH TYR 53 HH TYR 53 -8.094 -1.622 -4.113 439 H GLU 54 H GLU 54 -0.156 0.130 -5.562 440 HA GLU 54 HA GLU 54 -1.778 -0.894 -7.652 441 HB2 GLU 54 1HB GLU 54 -0.258 1.065 -7.795 442 HB3 GLU 54 2HB GLU 54 1.132 0.008 -7.591 443 HG2 GLU 54 1HG GLU 54 0.976 0.582 -9.876 444 HG3 GLU 54 2HG GLU 54 0.553 -1.112 -9.752 445 H VAL 55 H VAL 55 1.406 -2.017 -6.394 446 HA VAL 55 HA VAL 55 1.665 -4.234 -8.157 447 HB VAL 55 HB VAL 55 2.937 -3.829 -5.404 448 HG11 VAL 55 1HG1 VAL 55 3.899 -5.460 -7.805 449 HG12 VAL 55 2HG1 VAL 55 4.799 -5.185 -6.304 450 HG13 VAL 55 3HG1 VAL 55 3.305 -6.107 -6.262 451 HG21 VAL 55 3HG2 VAL 55 3.382 -1.843 -6.740 452 HG22 VAL 55 1HG2 VAL 55 4.839 -2.816 -6.677 453 HG23 VAL 55 2HG2 VAL 55 3.847 -2.827 -8.142 454 H LEU 56 H LEU 56 -0.071 -3.818 -5.171 455 HA LEU 56 HA LEU 56 -0.466 -6.734 -4.844 456 HB2 LEU 56 1HB LEU 56 -1.200 -4.369 -3.090 457 HB3 LEU 56 2HB LEU 56 -1.449 -6.063 -2.656 458 HG LEU 56 HG LEU 56 1.298 -4.844 -3.233 459 HD11 LEU 56 1HD1 LEU 56 1.660 -4.915 -0.822 460 HD12 LEU 56 2HD1 LEU 56 0.022 -5.512 -0.568 461 HD13 LEU 56 3HD1 LEU 56 0.279 -3.875 -1.218 462 HD21 LEU 56 3HD2 LEU 56 2.140 -6.888 -2.142 463 HD22 LEU 56 1HD2 LEU 56 1.264 -7.283 -3.620 464 HD23 LEU 56 2HD2 LEU 56 0.492 -7.541 -2.040 465 H SER 57 H SER 57 -2.122 -4.233 -6.463 466 HA SER 57 HA SER 57 -4.791 -5.400 -5.869 467 HB2 SER 57 1HB SER 57 -3.934 -2.914 -7.389 468 HB3 SER 57 2HB SER 57 -5.614 -3.486 -7.221 469 HG SER 57 HG SER 57 -3.821 -2.585 -5.262 470 H ASP 58 H ASP 58 -2.467 -5.043 -8.600 471 HA ASP 58 HA ASP 58 -4.146 -6.505 -10.470 472 HB2 ASP 58 1HB ASP 58 -1.939 -5.105 -10.944 473 HB3 ASP 58 2HB ASP 58 -1.145 -6.544 -10.379 474 H ALA 59 H ALA 59 -4.241 -8.863 -10.684 475 HA ALA 59 HA ALA 59 -3.307 -10.288 -8.285 476 HB1 ALA 59 1HB ALA 59 -4.582 -11.457 -10.771 477 HB2 ALA 59 2HB ALA 59 -4.439 -12.189 -9.172 478 HB3 ALA 59 3HB ALA 59 -5.507 -10.791 -9.394 479 H LYS 60 H LYS 60 -2.103 -9.674 -11.597 480 HA LYS 60 HA LYS 60 -0.382 -12.038 -11.598 481 HB2 LYS 60 1HB LYS 60 -1.577 -10.394 -13.537 482 HB3 LYS 60 2HB LYS 60 0.135 -9.986 -13.635 483 HG2 LYS 60 1HG LYS 60 0.737 -12.366 -13.815 484 HG3 LYS 60 2HG LYS 60 -0.975 -12.827 -13.658 485 HD2 LYS 60 1HD LYS 60 -1.514 -11.576 -15.694 486 HD3 LYS 60 2HD LYS 60 0.199 -11.142 -15.904 487 HE2 LYS 60 1HE LYS 60 0.829 -13.462 -16.210 488 HE3 LYS 60 2HE LYS 60 -0.761 -14.015 -15.677 489 HZ1 LYS 60 3HZ LYS 60 -1.697 -12.907 -17.635 490 HZ2 LYS 60 1HZ LYS 60 -0.695 -14.159 -18.010 491 HZ3 LYS 60 2HZ LYS 60 -0.202 -12.606 -18.216 492 H LYS 61 H LYS 61 -0.192 -8.516 -11.244 493 HA LYS 61 HA LYS 61 2.672 -8.495 -10.693 494 HB2 LYS 61 1HB LYS 61 0.649 -6.599 -9.457 495 HB3 LYS 61 2HB LYS 61 2.359 -6.470 -9.352 496 HG2 LYS 61 1HG LYS 61 2.446 -6.467 -11.934 497 HG3 LYS 61 2HG LYS 61 0.714 -6.218 -11.871 498 HD2 LYS 61 1HD LYS 61 1.664 -4.038 -12.079 499 HD3 LYS 61 2HD LYS 61 1.054 -4.189 -10.455 500 HE2 LYS 61 1HE LYS 61 3.097 -3.059 -10.235 501 HE3 LYS 61 2HE LYS 61 3.445 -4.695 -9.676 502 HZ1 LYS 61 3HZ LYS 61 4.096 -3.724 -12.394 503 HZ2 LYS 61 1HZ LYS 61 4.684 -5.092 -11.691 504 HZ3 LYS 61 2HZ LYS 61 5.152 -3.678 -11.130 505 H ARG 62 H ARG 62 -0.134 -8.923 -8.363 506 HA ARG 62 HA ARG 62 1.591 -9.544 -6.269 507 HB2 ARG 62 1HB ARG 62 -0.714 -9.085 -5.823 508 HB3 ARG 62 2HB ARG 62 -1.224 -10.588 -6.601 509 HG2 ARG 62 1HG ARG 62 -0.251 -11.951 -4.951 510 HG3 ARG 62 2HG ARG 62 0.843 -10.699 -4.376 511 HD2 ARG 62 1HD ARG 62 -0.685 -9.694 -3.025 512 HD3 ARG 62 2HD ARG 62 -2.083 -10.226 -3.979 513 HE ARG 62 HE ARG 62 -0.445 -11.878 -2.093 514 HH11 ARG 62 1HH1 ARG 62 -3.331 -11.639 -4.165 515 HH12 ARG 62 2HH1 ARG 62 -3.993 -13.154 -3.646 516 HH21 ARG 62 1HH2 ARG 62 -1.389 -13.818 -1.344 517 HH22 ARG 62 2HH2 ARG 62 -2.919 -14.379 -1.935 518 H GLU 63 H GLU 63 0.299 -11.872 -8.725 519 HA GLU 63 HA GLU 63 1.259 -14.229 -7.605 520 HB2 GLU 63 1HB GLU 63 1.006 -13.352 -10.503 521 HB3 GLU 63 2HB GLU 63 1.705 -14.904 -10.104 522 HG2 GLU 63 1HG GLU 63 -0.269 -15.553 -8.814 523 HG3 GLU 63 2HG GLU 63 -1.091 -14.077 -9.270 524 H LEU 64 H LEU 64 3.123 -11.765 -9.379 525 HA LEU 64 HA LEU 64 5.494 -13.515 -9.243 526 HB2 LEU 64 1HB LEU 64 4.914 -10.930 -10.698 527 HB3 LEU 64 2HB LEU 64 6.568 -11.444 -10.367 528 HG LEU 64 HG LEU 64 6.004 -13.709 -11.367 529 HD11 LEU 64 1HD1 LEU 64 4.183 -13.771 -13.040 530 HD12 LEU 64 2HD1 LEU 64 3.586 -12.224 -12.411 531 HD13 LEU 64 3HD1 LEU 64 3.599 -13.669 -11.376 532 HD21 LEU 64 3HD2 LEU 64 7.381 -12.151 -12.565 533 HD22 LEU 64 1HD2 LEU 64 5.953 -11.253 -13.131 534 HD23 LEU 64 2HD2 LEU 64 6.266 -12.909 -13.698 535 H TYR 65 H TYR 65 4.301 -10.510 -7.743 536 HA TYR 65 HA TYR 65 6.509 -9.768 -6.151 537 HB2 TYR 65 1HB TYR 65 4.554 -8.410 -6.271 538 HB3 TYR 65 2HB TYR 65 3.537 -9.735 -5.746 539 HD1 TYR 65 2HD TYR 65 6.199 -7.428 -4.548 540 HD2 TYR 65 1HD TYR 65 3.018 -10.141 -3.482 541 HE1 TYR 65 2HE TYR 65 6.337 -6.656 -2.222 542 HE2 TYR 65 1HE TYR 65 3.101 -9.352 -1.154 543 HH TYR 65 HH TYR 65 5.620 -6.998 -0.075 544 H ASP 66 H ASP 66 4.106 -12.327 -5.660 545 HA ASP 66 HA ASP 66 4.630 -13.241 -3.135 546 HB2 ASP 66 1HB ASP 66 2.894 -14.024 -4.711 547 HB3 ASP 66 2HB ASP 66 4.122 -14.859 -5.651 548 H LYS 67 H LYS 67 6.470 -14.038 -6.070 549 HA LYS 67 HA LYS 67 8.492 -15.488 -4.386 550 HB2 LYS 67 1HB LYS 67 8.544 -17.288 -5.893 551 HB3 LYS 67 2HB LYS 67 6.846 -16.998 -5.524 552 HG2 LYS 67 1HG LYS 67 6.532 -15.888 -7.714 553 HG3 LYS 67 2HG LYS 67 8.270 -16.000 -8.041 554 HD2 LYS 67 1HD LYS 67 8.061 -18.524 -7.836 555 HD3 LYS 67 2HD LYS 67 6.294 -18.289 -7.871 556 HE2 LYS 67 1HE LYS 67 6.422 -17.233 -10.056 557 HE3 LYS 67 2HE LYS 67 8.190 -17.143 -9.960 558 HZ1 LYS 67 3HZ LYS 67 7.649 -18.909 -11.365 559 HZ2 LYS 67 1HZ LYS 67 6.595 -19.595 -10.304 560 HZ3 LYS 67 2HZ LYS 67 8.229 -19.586 -10.011 561 H GLY 68 H GLY 68 8.288 -12.907 -6.510 562 HA2 GLY 68 1HA GLY 68 11.056 -13.281 -7.530 563 HA3 GLY 68 2HA GLY 68 9.705 -13.090 -8.649 564 H GLY 69 H GLY 69 8.193 -11.048 -7.707 565 HA2 GLY 69 1HA GLY 69 7.991 -8.848 -7.102 566 HA3 GLY 69 2HA GLY 69 9.471 -9.071 -6.173 567 H GLU 70 H GLU 70 10.712 -9.598 -9.021 568 HA GLU 70 HA GLU 70 11.803 -7.023 -9.247 569 HB2 GLU 70 1HB GLU 70 12.437 -9.723 -9.927 570 HB3 GLU 70 2HB GLU 70 12.462 -8.880 -11.440 571 HG2 GLU 70 1HG GLU 70 14.630 -8.550 -10.721 572 HG3 GLU 70 2HG GLU 70 13.899 -7.070 -10.095 573 H GLN 71 H GLN 71 8.872 -6.989 -10.092 574 HA GLN 71 HA GLN 71 9.051 -5.558 -12.567 575 HB2 GLN 71 1HB GLN 71 7.693 -7.150 -13.939 576 HB3 GLN 71 2HB GLN 71 9.323 -7.684 -13.640 577 HG2 GLN 71 1HG GLN 71 7.249 -8.655 -11.676 578 HG3 GLN 71 2HG GLN 71 7.132 -9.253 -13.325 579 HE21 GLN 71 1HE2 GLN 71 8.437 -10.112 -10.392 580 HE22 GLN 71 2HE2 GLN 71 9.640 -11.225 -11.047 Start of MODEL 3 1 H1 GLY 1 H GLY 1 13.529 4.067 13.920 2 HA2 GLY 1 1HA GLY 1 16.287 4.044 15.032 3 HA3 GLY 1 2HA GLY 1 15.487 2.625 14.312 4 H MET 2 H MET 2 16.641 2.252 12.442 5 HA MET 2 HA MET 2 16.355 4.314 10.337 6 HB2 MET 2 1HB MET 2 18.907 2.715 10.695 7 HB3 MET 2 2HB MET 2 18.562 3.893 9.445 8 HG2 MET 2 1HG MET 2 18.731 5.697 11.071 9 HG3 MET 2 2HG MET 2 18.837 4.532 12.404 10 HE1 MET 2 3HE MET 2 21.062 5.347 13.481 11 HE2 MET 2 1HE MET 2 22.469 5.855 12.523 12 HE3 MET 2 2HE MET 2 20.926 6.720 12.368 13 H VAL 3 H VAL 3 14.422 2.811 10.196 14 HA VAL 3 HA VAL 3 15.165 0.871 8.099 15 HB VAL 3 HB VAL 3 12.843 0.425 10.025 16 HG11 VAL 3 1HG1 VAL 3 12.587 -0.509 7.721 17 HG12 VAL 3 2HG1 VAL 3 14.121 -1.382 7.908 18 HG13 VAL 3 3HG1 VAL 3 12.725 -1.777 8.939 19 HG21 VAL 3 3HG2 VAL 3 15.559 -0.969 9.976 20 HG22 VAL 3 1HG2 VAL 3 14.883 0.016 11.297 21 HG23 VAL 3 2HG2 VAL 3 14.136 -1.524 10.886 22 H LYS 4 H LYS 4 14.517 1.783 6.334 23 HA LYS 4 HA LYS 4 11.869 3.035 6.030 24 HB2 LYS 4 1HB LYS 4 14.489 4.234 4.955 25 HB3 LYS 4 2HB LYS 4 12.866 4.839 4.661 26 HG2 LYS 4 1HG LYS 4 13.599 6.327 6.235 27 HG3 LYS 4 2HG LYS 4 12.668 5.192 7.171 28 HD2 LYS 4 1HD LYS 4 14.449 5.080 8.561 29 HD3 LYS 4 2HD LYS 4 15.283 4.137 7.336 30 HE2 LYS 4 1HE LYS 4 15.383 7.181 7.522 31 HE3 LYS 4 2HE LYS 4 16.592 6.076 8.203 32 HZ1 LYS 4 3HZ LYS 4 16.902 5.183 5.965 33 HZ2 LYS 4 1HZ LYS 4 17.373 6.727 6.110 34 HZ3 LYS 4 2HZ LYS 4 15.948 6.375 5.337 35 H GLU 5 H GLU 5 13.308 0.500 5.353 36 HA GLU 5 HA GLU 5 13.137 0.516 2.374 37 HB2 GLU 5 1HB GLU 5 15.240 -0.720 2.275 38 HB3 GLU 5 2HB GLU 5 15.403 0.899 2.918 39 HG2 GLU 5 1HG GLU 5 15.057 -1.103 5.080 40 HG3 GLU 5 2HG GLU 5 16.422 -1.483 4.024 41 H THR 6 H THR 6 10.986 -0.345 3.554 42 HA THR 6 HA THR 6 11.168 -3.299 3.306 43 HB THR 6 HB THR 6 9.194 -1.891 5.128 44 HG1 THR 6 1HG THR 6 10.568 -2.427 6.797 45 HG21 THR 6 3HG2 THR 6 10.199 -4.729 4.840 46 HG22 THR 6 1HG2 THR 6 8.554 -4.165 4.508 47 HG23 THR 6 2HG2 THR 6 9.158 -4.174 6.162 48 H THR 7 H THR 7 9.336 -4.303 2.418 49 HA THR 7 HA THR 7 8.420 -3.112 0.088 50 HB THR 7 HB THR 7 8.773 -5.535 0.585 51 HG1 THR 7 1HG THR 7 7.815 -5.250 -1.260 52 HG21 THR 7 3HG2 THR 7 7.486 -5.675 2.731 53 HG22 THR 7 1HG2 THR 7 6.995 -6.882 1.518 54 HG23 THR 7 2HG2 THR 7 5.992 -5.442 1.791 55 H TYR 8 H TYR 8 6.112 -3.463 -0.504 56 HA TYR 8 HA TYR 8 4.680 -1.181 0.186 57 HB2 TYR 8 1HB TYR 8 3.819 -3.733 -1.221 58 HB3 TYR 8 2HB TYR 8 2.923 -2.229 -1.309 59 HD1 TYR 8 1HD TYR 8 5.353 -0.288 -1.521 60 HD2 TYR 8 2HD TYR 8 4.423 -4.013 -3.524 61 HE1 TYR 8 1HE TYR 8 6.868 0.330 -3.363 62 HE2 TYR 8 2HE TYR 8 6.002 -3.403 -5.332 63 HH TYR 8 HH TYR 8 7.211 -1.305 -6.310 64 H TYR 9 H TYR 9 4.330 -4.379 1.618 65 HA TYR 9 HA TYR 9 1.893 -3.906 3.013 66 HB2 TYR 9 1HB TYR 9 4.370 -5.539 3.686 67 HB3 TYR 9 2HB TYR 9 2.887 -5.571 4.653 68 HD1 TYR 9 2HD TYR 9 0.634 -5.888 3.163 69 HD2 TYR 9 1HD TYR 9 4.583 -7.285 2.092 70 HE1 TYR 9 2HE TYR 9 -0.355 -7.637 1.754 71 HE2 TYR 9 1HE TYR 9 3.609 -8.941 0.611 72 HH TYR 9 HH TYR 9 1.675 -9.864 -0.221 73 H ASP 10 H ASP 10 5.300 -3.312 4.159 74 HA ASP 10 HA ASP 10 4.260 -2.184 6.605 75 HB2 ASP 10 1HB ASP 10 6.912 -2.874 5.543 76 HB3 ASP 10 2HB ASP 10 6.930 -1.328 6.380 77 H VAL 11 H VAL 11 5.052 -0.882 3.456 78 HA VAL 11 HA VAL 11 4.999 1.919 4.112 79 HB VAL 11 HB VAL 11 4.072 0.442 1.611 80 HG11 VAL 11 1HG1 VAL 11 4.517 3.413 1.995 81 HG12 VAL 11 2HG1 VAL 11 4.375 2.607 0.415 82 HG13 VAL 11 3HG1 VAL 11 3.006 2.586 1.536 83 HG21 VAL 11 3HG2 VAL 11 6.168 1.040 0.618 84 HG22 VAL 11 1HG2 VAL 11 6.674 1.919 2.089 85 HG23 VAL 11 2HG2 VAL 11 6.487 0.154 2.097 86 H LEU 12 H LEU 12 2.429 -0.403 3.230 87 HA LEU 12 HA LEU 12 0.328 1.530 3.710 88 HB2 LEU 12 1HB LEU 12 0.375 -1.441 3.106 89 HB3 LEU 12 2HB LEU 12 -1.129 -0.535 3.285 90 HG LEU 12 HG LEU 12 1.013 0.284 1.263 91 HD11 LEU 12 1HD1 LEU 12 -0.270 -0.891 -0.471 92 HD12 LEU 12 2HD1 LEU 12 -1.394 -1.521 0.769 93 HD13 LEU 12 3HD1 LEU 12 0.293 -2.030 0.764 94 HD21 LEU 12 3HD2 LEU 12 -0.618 2.013 1.782 95 HD22 LEU 12 1HD2 LEU 12 -1.962 0.895 1.465 96 HD23 LEU 12 2HD2 LEU 12 -0.873 1.393 0.149 97 H GLY 13 H GLY 13 2.326 0.336 5.880 98 HA2 GLY 13 1HA GLY 13 2.264 0.199 8.139 99 HA3 GLY 13 2HA GLY 13 0.688 1.013 8.056 100 H VAL 14 H VAL 14 1.328 -2.156 6.518 101 HA VAL 14 HA VAL 14 -0.402 -3.446 8.551 102 HB VAL 14 HB VAL 14 -1.672 -2.736 6.494 103 HG11 VAL 14 1HG1 VAL 14 -1.464 -4.052 4.423 104 HG12 VAL 14 2HG1 VAL 14 -0.005 -3.106 4.743 105 HG13 VAL 14 3HG1 VAL 14 -0.012 -4.848 5.064 106 HG21 VAL 14 3HG2 VAL 14 -2.412 -4.575 7.951 107 HG22 VAL 14 1HG2 VAL 14 -2.920 -4.778 6.276 108 HG23 VAL 14 2HG2 VAL 14 -1.554 -5.732 6.915 109 H LYS 15 H LYS 15 0.026 -5.748 8.719 110 HA LYS 15 HA LYS 15 2.845 -6.286 8.455 111 HB2 LYS 15 1HB LYS 15 2.098 -8.645 9.213 112 HB3 LYS 15 2HB LYS 15 2.051 -7.285 10.317 113 HG2 LYS 15 1HG LYS 15 0.147 -8.740 10.574 114 HG3 LYS 15 2HG LYS 15 -0.364 -7.107 10.123 115 HD2 LYS 15 1HD LYS 15 -0.800 -7.852 7.831 116 HD3 LYS 15 2HD LYS 15 -0.080 -9.425 8.196 117 HE2 LYS 15 1HE LYS 15 -2.446 -9.728 8.165 118 HE3 LYS 15 2HE LYS 15 -1.906 -9.862 9.839 119 HZ1 LYS 15 3HZ LYS 15 -3.146 -7.425 8.654 120 HZ2 LYS 15 1HZ LYS 15 -2.717 -7.616 10.224 121 HZ3 LYS 15 2HZ LYS 15 -3.913 -8.518 9.536 122 HA PRO 16 HA PRO 16 2.891 -8.130 4.476 123 HB2 PRO 16 1HB PRO 16 4.633 -10.262 4.692 124 HB3 PRO 16 2HB PRO 16 5.128 -8.541 4.622 125 HG2 PRO 16 1HG PRO 16 4.736 -10.271 7.086 126 HG3 PRO 16 2HG PRO 16 6.116 -9.190 6.696 127 HD2 PRO 16 1HD PRO 16 4.137 -8.373 8.338 128 HD3 PRO 16 2HD PRO 16 4.839 -7.242 7.137 129 H ASN 17 H ASN 17 1.991 -10.104 7.204 130 HA ASN 17 HA ASN 17 0.893 -12.264 5.585 131 HB2 ASN 17 1HB ASN 17 1.996 -12.546 7.866 132 HB3 ASN 17 2HB ASN 17 0.567 -11.765 8.576 133 HD21 ASN 17 1HD2 ASN 17 -0.156 -13.676 9.722 134 HD22 ASN 17 2HD2 ASN 17 -0.637 -15.097 8.801 135 H ALA 18 H ALA 18 -0.271 -9.766 4.885 136 HA ALA 18 HA ALA 18 -3.013 -9.741 6.047 137 HB1 ALA 18 1HB ALA 18 -1.669 -8.006 3.924 138 HB2 ALA 18 2HB ALA 18 -3.284 -7.738 4.604 139 HB3 ALA 18 3HB ALA 18 -1.855 -7.595 5.641 140 H THR 19 H THR 19 -4.934 -10.125 4.778 141 HA THR 19 HA THR 19 -4.665 -11.754 2.384 142 HB THR 19 HB THR 19 -7.249 -11.431 2.481 143 HG1 THR 19 1HG THR 19 -8.078 -10.721 4.280 144 HG21 THR 19 3HG2 THR 19 -7.542 -13.002 4.288 145 HG22 THR 19 1HG2 THR 19 -5.994 -12.516 5.013 146 HG23 THR 19 2HG2 THR 19 -6.020 -13.422 3.500 147 H GLN 20 H GLN 20 -6.172 -11.039 0.474 148 HA GLN 20 HA GLN 20 -5.324 -8.589 -0.765 149 HB2 GLN 20 1HB GLN 20 -7.832 -10.255 -1.217 150 HB3 GLN 20 2HB GLN 20 -7.188 -9.044 -2.302 151 HG2 GLN 20 1HG GLN 20 -5.078 -10.984 -1.763 152 HG3 GLN 20 2HG GLN 20 -6.559 -11.854 -2.173 153 HE21 GLN 20 1HE2 GLN 20 -4.620 -9.013 -3.269 154 HE22 GLN 20 2HE2 GLN 20 -4.792 -9.396 -4.961 155 H GLU 21 H GLU 21 -8.007 -9.531 1.359 156 HA GLU 21 HA GLU 21 -9.627 -7.237 0.804 157 HB2 GLU 21 1HB GLU 21 -9.918 -9.127 3.171 158 HB3 GLU 21 2HB GLU 21 -11.163 -8.202 2.333 159 HG2 GLU 21 1HG GLU 21 -10.649 -9.573 0.263 160 HG3 GLU 21 2HG GLU 21 -9.656 -10.622 1.313 161 H GLU 22 H GLU 22 -7.631 -8.344 3.568 162 HA GLU 22 HA GLU 22 -8.019 -6.228 5.355 163 HB2 GLU 22 1HB GLU 22 -5.662 -8.070 4.761 164 HB3 GLU 22 2HB GLU 22 -5.608 -6.853 6.041 165 HG2 GLU 22 1HG GLU 22 -7.675 -7.858 7.040 166 HG3 GLU 22 2HG GLU 22 -7.597 -9.138 5.810 167 H LEU 23 H LEU 23 -5.709 -6.586 2.651 168 HA LEU 23 HA LEU 23 -4.403 -4.086 2.872 169 HB2 LEU 23 1HB LEU 23 -4.974 -5.994 0.617 170 HB3 LEU 23 2HB LEU 23 -4.398 -4.384 0.204 171 HG LEU 23 HG LEU 23 -2.914 -6.158 2.190 172 HD11 LEU 23 1HD1 LEU 23 -1.477 -6.718 0.202 173 HD12 LEU 23 2HD1 LEU 23 -2.616 -5.850 -0.827 174 HD13 LEU 23 3HD1 LEU 23 -3.140 -7.305 0.054 175 HD21 LEU 23 3HD2 LEU 23 -1.013 -4.677 1.588 176 HD22 LEU 23 1HD2 LEU 23 -2.335 -3.718 2.239 177 HD23 LEU 23 2HD2 LEU 23 -2.057 -3.754 0.489 178 H LYS 24 H LYS 24 -7.359 -4.872 0.872 179 HA LYS 24 HA LYS 24 -7.712 -2.191 0.034 180 HB2 LYS 24 1HB LYS 24 -8.826 -4.091 -1.012 181 HB3 LYS 24 2HB LYS 24 -9.853 -4.317 0.399 182 HG2 LYS 24 1HG LYS 24 -11.032 -2.280 -0.003 183 HG3 LYS 24 2HG LYS 24 -9.770 -1.656 -1.070 184 HD2 LYS 24 1HD LYS 24 -11.781 -2.294 -2.304 185 HD3 LYS 24 2HD LYS 24 -10.363 -3.193 -2.837 186 HE2 LYS 24 1HE LYS 24 -11.108 -5.199 -1.680 187 HE3 LYS 24 2HE LYS 24 -12.388 -4.290 -0.847 188 HZ1 LYS 24 3HZ LYS 24 -12.325 -4.910 -3.744 189 HZ2 LYS 24 1HZ LYS 24 -13.408 -3.892 -2.986 190 HZ3 LYS 24 2HZ LYS 24 -13.384 -5.449 -2.602 191 H LYS 25 H LYS 25 -9.180 -3.788 2.947 192 HA LYS 25 HA LYS 25 -10.575 -1.387 3.779 193 HB2 LYS 25 1HB LYS 25 -9.622 -3.762 5.406 194 HB3 LYS 25 2HB LYS 25 -10.644 -2.449 6.000 195 HG2 LYS 25 1HG LYS 25 -12.326 -3.102 4.155 196 HG3 LYS 25 2HG LYS 25 -11.320 -4.564 3.957 197 HD2 LYS 25 1HD LYS 25 -11.501 -4.901 6.441 198 HD3 LYS 25 2HD LYS 25 -12.690 -3.615 6.489 199 HE2 LYS 25 1HE LYS 25 -12.967 -6.247 4.925 200 HE3 LYS 25 2HE LYS 25 -13.608 -5.960 6.534 201 HZ1 LYS 25 3HZ LYS 25 -14.548 -4.597 4.071 202 HZ2 LYS 25 1HZ LYS 25 -14.952 -4.138 5.585 203 HZ3 LYS 25 2HZ LYS 25 -15.378 -5.595 5.062 204 H ALA 26 H ALA 26 -7.159 -2.424 4.268 205 HA ALA 26 HA ALA 26 -6.594 -0.369 6.232 206 HB1 ALA 26 1HB ALA 26 -4.787 -2.064 4.470 207 HB2 ALA 26 2HB ALA 26 -4.228 -0.932 5.715 208 HB3 ALA 26 3HB ALA 26 -5.206 -2.333 6.173 209 H TYR 27 H TYR 27 -6.347 -0.697 2.731 210 HA TYR 27 HA TYR 27 -4.815 1.633 2.160 211 HB2 TYR 27 1HB TYR 27 -5.003 -0.131 0.513 212 HB3 TYR 27 2HB TYR 27 -6.753 0.004 0.461 213 HD1 TYR 27 2HD TYR 27 -3.626 1.935 -0.158 214 HD2 TYR 27 1HD TYR 27 -7.798 1.473 -1.078 215 HE1 TYR 27 2HE TYR 27 -3.445 3.766 -1.870 216 HE2 TYR 27 1HE TYR 27 -7.611 3.208 -2.831 217 HH TYR 27 HH TYR 27 -6.281 4.986 -3.615 218 H ARG 28 H ARG 28 -8.355 1.023 1.967 219 HA ARG 28 HA ARG 28 -9.131 3.554 1.113 220 HB2 ARG 28 1HB ARG 28 -10.537 1.465 2.838 221 HB3 ARG 28 2HB ARG 28 -11.351 2.907 2.263 222 HG2 ARG 28 1HG ARG 28 -10.531 2.244 -0.110 223 HG3 ARG 28 2HG ARG 28 -10.165 0.680 0.571 224 HD2 ARG 28 1HD ARG 28 -12.875 2.024 0.359 225 HD3 ARG 28 2HD ARG 28 -12.293 0.582 -0.483 226 HE ARG 28 HE ARG 28 -12.390 0.434 2.467 227 HH11 ARG 28 1HH1 ARG 28 -14.257 -0.156 -0.499 228 HH12 ARG 28 2HH1 ARG 28 -15.146 -1.488 0.176 229 HH21 ARG 28 1HH2 ARG 28 -13.633 -1.091 3.383 230 HH22 ARG 28 2HH2 ARG 28 -14.751 -2.103 2.474 231 H LYS 29 H LYS 29 -8.869 2.530 4.556 232 HA LYS 29 HA LYS 29 -9.502 5.143 5.567 233 HB2 LYS 29 1HB LYS 29 -8.685 4.325 7.711 234 HB3 LYS 29 2HB LYS 29 -9.774 3.175 6.942 235 HG2 LYS 29 1HG LYS 29 -7.844 1.881 6.137 236 HG3 LYS 29 2HG LYS 29 -6.728 2.962 6.988 237 HD2 LYS 29 1HD LYS 29 -8.930 1.359 8.339 238 HD3 LYS 29 2HD LYS 29 -7.286 0.741 8.041 239 HE2 LYS 29 1HE LYS 29 -6.300 2.475 9.434 240 HE3 LYS 29 2HE LYS 29 -7.843 3.332 9.568 241 HZ1 LYS 29 3HZ LYS 29 -8.726 1.515 10.828 242 HZ2 LYS 29 1HZ LYS 29 -7.335 2.041 11.533 243 HZ3 LYS 29 2HZ LYS 29 -7.333 0.639 10.666 244 H LEU 30 H LEU 30 -6.397 3.835 4.405 245 HA LEU 30 HA LEU 30 -4.912 6.024 5.615 246 HB2 LEU 30 1HB LEU 30 -4.209 3.879 3.639 247 HB3 LEU 30 2HB LEU 30 -3.052 5.108 4.145 248 HG LEU 30 HG LEU 30 -4.490 3.269 6.118 249 HD11 LEU 30 1HD1 LEU 30 -1.695 2.993 4.931 250 HD12 LEU 30 2HD1 LEU 30 -3.079 1.928 4.597 251 HD13 LEU 30 3HD1 LEU 30 -2.397 2.011 6.232 252 HD21 LEU 30 3HD2 LEU 30 -2.744 3.973 7.669 253 HD22 LEU 30 1HD2 LEU 30 -3.612 5.389 7.079 254 HD23 LEU 30 2HD2 LEU 30 -2.017 4.987 6.407 255 H ALA 31 H ALA 31 -6.002 5.224 2.302 256 HA ALA 31 HA ALA 31 -5.010 7.562 1.028 257 HB1 ALA 31 1HB ALA 31 -5.815 5.619 -0.234 258 HB2 ALA 31 2HB ALA 31 -7.429 5.749 0.508 259 HB3 ALA 31 3HB ALA 31 -6.876 6.993 -0.618 260 H LEU 32 H LEU 32 -8.131 7.002 2.765 261 HA LEU 32 HA LEU 32 -9.042 9.685 2.230 262 HB2 LEU 32 1HB LEU 32 -9.887 7.596 4.273 263 HB3 LEU 32 2HB LEU 32 -10.629 9.174 4.102 264 HG LEU 32 HG LEU 32 -10.686 6.889 2.124 265 HD11 LEU 32 1HD1 LEU 32 -12.842 8.555 3.473 266 HD12 LEU 32 2HD1 LEU 32 -12.380 6.887 3.884 267 HD13 LEU 32 3HD1 LEU 32 -13.148 7.251 2.330 268 HD21 LEU 32 3HD2 LEU 32 -10.232 8.730 0.678 269 HD22 LEU 32 1HD2 LEU 32 -11.405 9.762 1.506 270 HD23 LEU 32 2HD2 LEU 32 -11.947 8.365 0.558 271 H LYS 33 H LYS 33 -6.992 8.313 4.787 272 HA LYS 33 HA LYS 33 -7.148 10.592 6.541 273 HB2 LYS 33 1HB LYS 33 -6.376 8.455 7.381 274 HB3 LYS 33 2HB LYS 33 -5.095 8.365 6.183 275 HG2 LYS 33 1HG LYS 33 -3.846 10.113 7.194 276 HG3 LYS 33 2HG LYS 33 -5.193 10.566 8.280 277 HD2 LYS 33 1HD LYS 33 -5.034 8.496 9.488 278 HD3 LYS 33 2HD LYS 33 -3.909 7.803 8.289 279 HE2 LYS 33 1HE LYS 33 -2.141 9.245 8.922 280 HE3 LYS 33 2HE LYS 33 -3.206 10.307 9.845 281 HZ1 LYS 33 3HZ LYS 33 -2.939 7.509 10.654 282 HZ2 LYS 33 1HZ LYS 33 -3.357 8.836 11.539 283 HZ3 LYS 33 2HZ LYS 33 -1.797 8.633 11.111 284 H TYR 34 H TYR 34 -4.699 9.566 4.111 285 HA TYR 34 HA TYR 34 -3.434 12.198 4.274 286 HB2 TYR 34 1HB TYR 34 -2.631 9.795 2.584 287 HB3 TYR 34 2HB TYR 34 -1.713 11.208 2.873 288 HD1 TYR 34 2HD TYR 34 -1.271 11.806 5.471 289 HD2 TYR 34 1HD TYR 34 -2.355 7.866 4.053 290 HE1 TYR 34 2HE TYR 34 -0.218 10.776 7.454 291 HE2 TYR 34 1HE TYR 34 -1.296 6.875 5.944 292 HH TYR 34 HH TYR 34 -0.254 7.219 8.030 293 H HIS 35 H HIS 35 -6.249 11.716 2.914 294 HA HIS 35 HA HIS 35 -5.864 12.073 0.131 295 HB2 HIS 35 1HB HIS 35 -8.028 11.603 1.653 296 HB3 HIS 35 2HB HIS 35 -8.207 13.345 1.592 297 HD1 HIS 35 1HD HIS 35 -9.618 14.137 -0.554 298 HD2 HIS 35 2HD HIS 35 -8.043 10.235 -0.759 299 HE1 HIS 35 1HE HIS 35 -10.415 13.186 -2.714 300 HA PRO 36 HA PRO 36 -4.002 16.004 0.246 301 HB2 PRO 36 1HB PRO 36 -4.782 17.173 -2.175 302 HB3 PRO 36 2HB PRO 36 -3.492 15.942 -1.977 303 HG2 PRO 36 1HG PRO 36 -6.375 15.538 -2.809 304 HG3 PRO 36 2HG PRO 36 -4.898 14.779 -3.487 305 HD2 PRO 36 1HD PRO 36 -6.482 13.467 -1.733 306 HD3 PRO 36 2HD PRO 36 -4.704 13.312 -1.625 307 H ASP 37 H ASP 37 -7.321 16.071 -0.750 308 HA ASP 37 HA ASP 37 -8.209 18.617 -0.469 309 HB2 ASP 37 1HB ASP 37 -9.352 16.470 -1.204 310 HB3 ASP 37 2HB ASP 37 -9.667 16.126 0.486 311 H LYS 38 H LYS 38 -7.827 16.299 2.233 312 HA LYS 38 HA LYS 38 -8.334 18.505 4.197 313 HB2 LYS 38 1HB LYS 38 -9.132 15.578 4.263 314 HB3 LYS 38 2HB LYS 38 -9.097 16.553 5.726 315 HG2 LYS 38 1HG LYS 38 -10.663 17.448 3.309 316 HG3 LYS 38 2HG LYS 38 -11.337 16.300 4.481 317 HD2 LYS 38 1HD LYS 38 -11.012 17.964 6.285 318 HD3 LYS 38 2HD LYS 38 -10.358 19.089 5.084 319 HE2 LYS 38 1HE LYS 38 -12.644 18.793 3.881 320 HE3 LYS 38 2HE LYS 38 -13.178 18.135 5.437 321 HZ1 LYS 38 3HZ LYS 38 -12.075 20.841 5.010 322 HZ2 LYS 38 1HZ LYS 38 -12.484 20.201 6.480 323 HZ3 LYS 38 2HZ LYS 38 -13.631 20.477 5.391 324 H ASN 39 H ASN 39 -5.805 16.765 2.933 325 HA ASN 39 HA ASN 39 -4.276 17.253 5.381 326 HB2 ASN 39 1HB ASN 39 -5.175 14.789 5.249 327 HB3 ASN 39 2HB ASN 39 -3.891 14.547 4.106 328 HD21 ASN 39 1HD2 ASN 39 -1.769 15.722 4.995 329 HD22 ASN 39 2HD2 ASN 39 -1.352 15.208 6.631 330 HA PRO 40 HA PRO 40 -2.507 18.253 1.127 331 HB2 PRO 40 1HB PRO 40 -1.834 20.902 1.588 332 HB3 PRO 40 2HB PRO 40 -3.435 20.340 0.990 333 HG2 PRO 40 1HG PRO 40 -2.632 21.025 3.840 334 HG3 PRO 40 2HG PRO 40 -4.106 21.521 2.954 335 HD2 PRO 40 1HD PRO 40 -4.106 19.411 4.690 336 HD3 PRO 40 2HD PRO 40 -5.074 19.365 3.189 337 H ASN 41 H ASN 41 -1.369 18.666 4.402 338 HA ASN 41 HA ASN 41 1.400 19.127 3.981 339 HB2 ASN 41 1HB ASN 41 -0.225 18.947 6.183 340 HB3 ASN 41 2HB ASN 41 0.544 17.379 6.263 341 HD21 ASN 41 1HD2 ASN 41 1.086 20.879 6.052 342 HD22 ASN 41 2HD2 ASN 41 2.729 20.889 6.604 343 H GLU 42 H GLU 42 -0.471 16.283 3.250 344 HA GLU 42 HA GLU 42 1.946 14.530 3.229 345 HB2 GLU 42 1HB GLU 42 -0.770 13.959 4.479 346 HB3 GLU 42 2HB GLU 42 0.496 12.751 4.176 347 HG2 GLU 42 1HG GLU 42 2.139 13.980 5.516 348 HG3 GLU 42 2HG GLU 42 0.992 15.260 5.859 349 H GLY 43 H GLY 43 0.461 16.104 1.115 350 HA2 GLY 43 1HA GLY 43 -1.107 14.319 -0.425 351 HA3 GLY 43 2HA GLY 43 -0.374 15.818 -0.990 352 H GLU 44 H GLU 44 2.476 14.787 -0.363 353 HA GLU 44 HA GLU 44 2.777 13.070 -2.758 354 HB2 GLU 44 1HB GLU 44 4.677 14.641 -1.060 355 HB3 GLU 44 2HB GLU 44 5.274 13.136 -1.774 356 HG2 GLU 44 1HG GLU 44 4.424 13.934 -4.021 357 HG3 GLU 44 2HG GLU 44 4.095 15.499 -3.251 358 H LYS 45 H LYS 45 2.652 12.759 0.770 359 HA LYS 45 HA LYS 45 3.671 10.130 0.991 360 HB2 LYS 45 1HB LYS 45 2.312 11.770 2.806 361 HB3 LYS 45 2HB LYS 45 1.093 10.577 2.459 362 HG2 LYS 45 1HG LYS 45 2.753 8.756 2.891 363 HG3 LYS 45 2HG LYS 45 3.934 9.956 3.381 364 HD2 LYS 45 1HD LYS 45 1.193 9.577 4.656 365 HD3 LYS 45 2HD LYS 45 2.667 8.836 5.277 366 HE2 LYS 45 1HE LYS 45 2.099 11.823 5.032 367 HE3 LYS 45 2HE LYS 45 2.016 10.869 6.508 368 HZ1 LYS 45 3HZ LYS 45 4.469 11.472 4.972 369 HZ2 LYS 45 1HZ LYS 45 4.380 10.420 6.257 370 HZ3 LYS 45 2HZ LYS 45 4.026 11.998 6.477 371 H PHE 46 H PHE 46 0.520 11.257 -0.172 372 HA PHE 46 HA PHE 46 -0.859 8.875 -0.441 373 HB2 PHE 46 1HB PHE 46 -1.415 11.357 -1.193 374 HB3 PHE 46 2HB PHE 46 -0.917 10.790 -2.765 375 HD1 PHE 46 1HD PHE 46 -1.967 8.301 -3.435 376 HD2 PHE 46 2HD PHE 46 -3.698 11.140 -0.667 377 HE1 PHE 46 1HE PHE 46 -4.132 7.155 -3.625 378 HE2 PHE 46 2HE PHE 46 -5.878 10.013 -0.924 379 HZ PHE 46 HZ PHE 46 -6.094 8.003 -2.382 380 H LYS 47 H LYS 47 1.652 10.210 -2.565 381 HA LYS 47 HA LYS 47 1.295 8.475 -4.686 382 HB2 LYS 47 1HB LYS 47 2.905 10.583 -4.364 383 HB3 LYS 47 2HB LYS 47 4.132 9.331 -4.067 384 HG2 LYS 47 1HG LYS 47 3.472 8.251 -6.240 385 HG3 LYS 47 2HG LYS 47 2.230 9.510 -6.418 386 HD2 LYS 47 1HD LYS 47 3.954 11.230 -6.661 387 HD3 LYS 47 2HD LYS 47 5.220 10.012 -6.388 388 HE2 LYS 47 1HE LYS 47 4.963 10.388 -8.782 389 HE3 LYS 47 2HE LYS 47 4.472 8.749 -8.376 390 HZ1 LYS 47 3HZ LYS 47 2.624 11.006 -8.841 391 HZ2 LYS 47 1HZ LYS 47 2.168 9.442 -8.517 392 HZ3 LYS 47 2HZ LYS 47 2.960 9.833 -9.919 393 H GLN 48 H GLN 48 3.335 7.938 -1.824 394 HA GLN 48 HA GLN 48 4.374 5.384 -2.563 395 HB2 GLN 48 1HB GLN 48 3.845 6.831 0.073 396 HB3 GLN 48 2HB GLN 48 4.341 5.156 0.044 397 HG2 GLN 48 1HG GLN 48 6.153 6.495 -1.694 398 HG3 GLN 48 2HG GLN 48 5.968 7.537 -0.281 399 HE21 GLN 48 1HE2 GLN 48 6.464 6.597 1.876 400 HE22 GLN 48 2HE2 GLN 48 7.279 5.066 2.045 401 H ILE 49 H ILE 49 1.227 6.373 -1.262 402 HA ILE 49 HA ILE 49 0.496 3.724 -0.302 403 HB ILE 49 HB ILE 49 -1.504 5.904 -0.961 404 HG12 ILE 49 1HG1 ILE 49 0.124 5.775 1.609 405 HG13 ILE 49 2HG1 ILE 49 0.166 7.029 0.380 406 HG21 ILE 49 1HG2 ILE 49 -2.917 4.831 0.566 407 HG22 ILE 49 2HG2 ILE 49 -2.042 3.458 -0.141 408 HG23 ILE 49 3HG2 ILE 49 -1.569 4.072 1.451 409 HD11 ILE 49 3HD1 ILE 49 -1.184 7.912 2.079 410 HD12 ILE 49 1HD1 ILE 49 -2.319 7.414 0.796 411 HD13 ILE 49 2HD1 ILE 49 -2.113 6.416 2.259 412 H SER 50 H SER 50 -0.381 5.800 -3.268 413 HA SER 50 HA SER 50 -1.953 3.875 -4.500 414 HB2 SER 50 1HB SER 50 -1.059 5.258 -6.499 415 HB3 SER 50 2HB SER 50 -2.183 5.987 -5.357 416 HG SER 50 HG SER 50 0.620 6.316 -5.036 417 H GLN 51 H GLN 51 1.615 4.548 -4.744 418 HA GLN 51 HA GLN 51 2.085 2.655 -6.757 419 HB2 GLN 51 1HB GLN 51 3.640 4.439 -6.148 420 HB3 GLN 51 2HB GLN 51 3.909 3.730 -4.562 421 HG2 GLN 51 1HG GLN 51 5.448 2.280 -5.353 422 HG3 GLN 51 2HG GLN 51 4.445 1.771 -6.696 423 HE21 GLN 51 1HE2 GLN 51 4.396 3.190 -8.674 424 HE22 GLN 51 2HE2 GLN 51 5.832 4.142 -9.020 425 H ALA 52 H ALA 52 2.097 2.306 -3.203 426 HA ALA 52 HA ALA 52 2.997 -0.394 -3.207 427 HB1 ALA 52 1HB ALA 52 1.405 1.268 -1.177 428 HB2 ALA 52 2HB ALA 52 2.023 -0.341 -0.827 429 HB3 ALA 52 3HB ALA 52 3.156 0.973 -1.160 430 H TYR 53 H TYR 53 -0.325 0.979 -2.941 431 HA TYR 53 HA TYR 53 -1.523 -1.606 -2.855 432 HB2 TYR 53 1HB TYR 53 -2.530 0.547 -2.057 433 HB3 TYR 53 2HB TYR 53 -2.800 1.010 -3.737 434 HD1 TYR 53 1HD TYR 53 -3.663 -1.494 -1.093 435 HD2 TYR 53 2HD TYR 53 -4.632 0.019 -5.015 436 HE1 TYR 53 1HE TYR 53 -5.733 -2.852 -1.102 437 HE2 TYR 53 2HE TYR 53 -6.692 -1.359 -5.034 438 HH TYR 53 HH TYR 53 -7.402 -3.820 -2.735 439 H GLU 54 H GLU 54 -0.254 0.254 -5.580 440 HA GLU 54 HA GLU 54 -2.022 -0.779 -7.592 441 HB2 GLU 54 1HB GLU 54 -0.849 1.285 -7.968 442 HB3 GLU 54 2HB GLU 54 0.721 0.512 -7.719 443 HG2 GLU 54 1HG GLU 54 0.341 0.954 -10.078 444 HG3 GLU 54 2HG GLU 54 0.491 -0.762 -9.782 445 H VAL 55 H VAL 55 1.319 -1.781 -6.608 446 HA VAL 55 HA VAL 55 1.463 -3.990 -8.490 447 HB VAL 55 HB VAL 55 2.893 -3.471 -5.846 448 HG11 VAL 55 1HG1 VAL 55 4.612 -5.056 -6.709 449 HG12 VAL 55 2HG1 VAL 55 3.060 -5.853 -6.423 450 HG13 VAL 55 3HG1 VAL 55 3.557 -5.448 -8.082 451 HG21 VAL 55 3HG2 VAL 55 3.713 -2.971 -8.746 452 HG22 VAL 55 1HG2 VAL 55 3.343 -1.716 -7.522 453 HG23 VAL 55 2HG2 VAL 55 4.757 -2.743 -7.319 454 H LEU 56 H LEU 56 0.204 -3.590 -5.193 455 HA LEU 56 HA LEU 56 -0.396 -6.407 -4.875 456 HB2 LEU 56 1HB LEU 56 -1.277 -3.916 -3.361 457 HB3 LEU 56 2HB LEU 56 -1.598 -5.558 -2.829 458 HG LEU 56 HG LEU 56 1.214 -4.451 -3.232 459 HD11 LEU 56 1HD1 LEU 56 -0.251 -4.920 -0.613 460 HD12 LEU 56 2HD1 LEU 56 0.021 -3.318 -1.359 461 HD13 LEU 56 3HD1 LEU 56 1.381 -4.313 -0.813 462 HD21 LEU 56 3HD2 LEU 56 1.863 -6.413 -1.892 463 HD22 LEU 56 1HD2 LEU 56 1.162 -6.895 -3.449 464 HD23 LEU 56 2HD2 LEU 56 0.205 -7.030 -1.949 465 H SER 57 H SER 57 -2.051 -3.847 -6.527 466 HA SER 57 HA SER 57 -4.732 -4.517 -5.897 467 HB2 SER 57 1HB SER 57 -3.408 -2.964 -8.129 468 HB3 SER 57 2HB SER 57 -5.132 -3.332 -8.181 469 HG SER 57 HG SER 57 -3.750 -2.048 -6.080 470 H ASP 58 H ASP 58 -2.779 -5.312 -8.813 471 HA ASP 58 HA ASP 58 -4.952 -6.927 -9.894 472 HB2 ASP 58 1HB ASP 58 -3.234 -5.561 -11.248 473 HB3 ASP 58 2HB ASP 58 -2.055 -6.759 -10.814 474 H ALA 59 H ALA 59 -4.867 -9.247 -10.181 475 HA ALA 59 HA ALA 59 -3.408 -10.626 -8.072 476 HB1 ALA 59 1HB ALA 59 -4.463 -12.645 -8.986 477 HB2 ALA 59 2HB ALA 59 -5.660 -11.352 -8.813 478 HB3 ALA 59 3HB ALA 59 -5.004 -11.767 -10.415 479 H LYS 60 H LYS 60 -2.984 -10.360 -11.705 480 HA LYS 60 HA LYS 60 -0.812 -12.225 -11.713 481 HB2 LYS 60 1HB LYS 60 -2.147 -10.345 -13.652 482 HB3 LYS 60 2HB LYS 60 -0.470 -10.714 -13.934 483 HG2 LYS 60 1HG LYS 60 -1.544 -12.321 -15.192 484 HG3 LYS 60 2HG LYS 60 -1.067 -13.197 -13.737 485 HD2 LYS 60 1HD LYS 60 -3.381 -12.935 -12.846 486 HD3 LYS 60 2HD LYS 60 -3.831 -12.082 -14.345 487 HE2 LYS 60 1HE LYS 60 -3.336 -14.040 -15.697 488 HE3 LYS 60 2HE LYS 60 -2.724 -14.915 -14.288 489 HZ1 LYS 60 3HZ LYS 60 -5.521 -14.001 -14.628 490 HZ2 LYS 60 1HZ LYS 60 -4.958 -14.807 -13.336 491 HZ3 LYS 60 2HZ LYS 60 -5.018 -15.533 -14.828 492 H LYS 61 H LYS 61 -0.948 -8.642 -11.291 493 HA LYS 61 HA LYS 61 1.977 -8.468 -11.167 494 HB2 LYS 61 1HB LYS 61 -0.086 -6.596 -9.922 495 HB3 LYS 61 2HB LYS 61 1.657 -6.385 -9.896 496 HG2 LYS 61 1HG LYS 61 1.224 -6.836 -12.596 497 HG3 LYS 61 2HG LYS 61 -0.248 -5.982 -12.145 498 HD2 LYS 61 1HD LYS 61 2.522 -4.938 -11.414 499 HD3 LYS 61 2HD LYS 61 1.763 -4.602 -12.969 500 HE2 LYS 61 1HE LYS 61 0.180 -4.031 -10.457 501 HE3 LYS 61 2HE LYS 61 1.478 -2.921 -10.935 502 HZ1 LYS 61 3HZ LYS 61 -0.663 -2.289 -11.852 503 HZ2 LYS 61 1HZ LYS 61 -0.736 -3.690 -12.726 504 HZ3 LYS 61 2HZ LYS 61 0.435 -2.587 -13.033 505 H ARG 62 H ARG 62 -0.546 -8.682 -8.579 506 HA ARG 62 HA ARG 62 1.359 -8.902 -6.575 507 HB2 ARG 62 1HB ARG 62 -0.970 -8.589 -6.011 508 HB3 ARG 62 2HB ARG 62 -1.343 -10.247 -6.447 509 HG2 ARG 62 1HG ARG 62 -0.109 -11.177 -4.695 510 HG3 ARG 62 2HG ARG 62 0.844 -9.715 -4.423 511 HD2 ARG 62 1HD ARG 62 -0.809 -8.648 -3.217 512 HD3 ARG 62 2HD ARG 62 -2.108 -9.710 -3.831 513 HE ARG 62 HE ARG 62 -0.233 -11.335 -2.527 514 HH11 ARG 62 1HH1 ARG 62 -2.622 -8.883 -1.585 515 HH12 ARG 62 2HH1 ARG 62 -2.842 -9.561 0.007 516 HH21 ARG 62 1HH2 ARG 62 -0.569 -12.221 -0.530 517 HH22 ARG 62 2HH2 ARG 62 -1.591 -11.485 0.655 518 H GLU 63 H GLU 63 0.341 -11.642 -8.667 519 HA GLU 63 HA GLU 63 1.634 -13.741 -7.296 520 HB2 GLU 63 1HB GLU 63 1.231 -13.127 -10.247 521 HB3 GLU 63 2HB GLU 63 2.138 -14.536 -9.752 522 HG2 GLU 63 1HG GLU 63 -0.408 -14.419 -8.320 523 HG3 GLU 63 2HG GLU 63 -0.655 -14.312 -10.062 524 H LEU 64 H LEU 64 3.036 -11.485 -9.690 525 HA LEU 64 HA LEU 64 5.662 -12.693 -9.643 526 HB2 LEU 64 1HB LEU 64 4.471 -10.112 -10.708 527 HB3 LEU 64 2HB LEU 64 6.206 -10.343 -10.725 528 HG LEU 64 HG LEU 64 6.184 -12.018 -12.311 529 HD11 LEU 64 1HD1 LEU 64 3.237 -12.507 -11.771 530 HD12 LEU 64 2HD1 LEU 64 4.581 -13.591 -11.372 531 HD13 LEU 64 3HD1 LEU 64 4.188 -13.285 -13.064 532 HD21 LEU 64 3HD2 LEU 64 4.733 -11.190 -14.139 533 HD22 LEU 64 1HD2 LEU 64 5.478 -9.862 -13.245 534 HD23 LEU 64 2HD2 LEU 64 3.780 -10.247 -12.961 535 H TYR 65 H TYR 65 4.132 -10.042 -7.943 536 HA TYR 65 HA TYR 65 6.397 -9.061 -6.497 537 HB2 TYR 65 1HB TYR 65 4.500 -7.721 -6.758 538 HB3 TYR 65 2HB TYR 65 3.419 -8.963 -6.173 539 HD1 TYR 65 2HD TYR 65 6.064 -6.575 -5.115 540 HD2 TYR 65 1HD TYR 65 3.013 -9.361 -3.865 541 HE1 TYR 65 2HE TYR 65 6.207 -5.694 -2.831 542 HE2 TYR 65 1HE TYR 65 3.107 -8.484 -1.591 543 HH TYR 65 HH TYR 65 5.631 -6.113 -0.636 544 H ASP 66 H ASP 66 3.942 -11.560 -5.691 545 HA ASP 66 HA ASP 66 4.538 -11.861 -3.012 546 HB2 ASP 66 1HB ASP 66 2.609 -12.787 -4.411 547 HB3 ASP 66 2HB ASP 66 3.665 -14.132 -4.845 548 H LYS 67 H LYS 67 6.192 -13.136 -5.709 549 HA LYS 67 HA LYS 67 8.355 -14.204 -3.953 550 HB2 LYS 67 1HB LYS 67 8.736 -16.123 -5.304 551 HB3 LYS 67 2HB LYS 67 7.089 -16.132 -4.697 552 HG2 LYS 67 1HG LYS 67 6.156 -15.981 -6.741 553 HG3 LYS 67 2HG LYS 67 7.316 -14.810 -7.353 554 HD2 LYS 67 1HD LYS 67 9.038 -16.639 -7.503 555 HD3 LYS 67 2HD LYS 67 7.762 -17.818 -7.153 556 HE2 LYS 67 1HE LYS 67 6.617 -17.331 -9.202 557 HE3 LYS 67 2HE LYS 67 7.522 -15.814 -9.425 558 HZ1 LYS 67 3HZ LYS 67 8.396 -17.611 -10.842 559 HZ2 LYS 67 1HZ LYS 67 8.778 -18.486 -9.503 560 HZ3 LYS 67 2HZ LYS 67 9.519 -17.071 -9.794 561 H GLY 68 H GLY 68 8.158 -11.550 -5.401 562 HA2 GLY 68 1HA GLY 68 10.743 -11.627 -6.701 563 HA3 GLY 68 2HA GLY 68 9.444 -11.556 -7.875 564 H GLY 69 H GLY 69 8.046 -9.681 -7.885 565 HA2 GLY 69 1HA GLY 69 7.457 -7.463 -7.424 566 HA3 GLY 69 2HA GLY 69 8.708 -7.382 -6.176 567 H GLU 70 H GLU 70 10.341 -8.473 -8.867 568 HA GLU 70 HA GLU 70 10.564 -5.842 -10.235 569 HB2 GLU 70 1HB GLU 70 12.406 -6.402 -8.449 570 HB3 GLU 70 2HB GLU 70 12.968 -7.564 -9.644 571 HG2 GLU 70 1HG GLU 70 12.614 -5.292 -11.176 572 HG3 GLU 70 2HG GLU 70 13.133 -4.606 -9.640 573 H GLN 71 H GLN 71 8.908 -7.936 -10.993 574 HA GLN 71 HA GLN 71 10.038 -8.686 -13.573 575 HB2 GLN 71 1HB GLN 71 8.535 -10.630 -11.765 576 HB3 GLN 71 2HB GLN 71 8.877 -10.899 -13.466 577 HG2 GLN 71 1HG GLN 71 10.942 -10.663 -11.245 578 HG3 GLN 71 2HG GLN 71 10.430 -12.143 -12.020 579 HE21 GLN 71 1HE2 GLN 71 13.165 -11.245 -11.891 580 HE22 GLN 71 2HE2 GLN 71 13.676 -10.668 -13.472 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.952 3.755 13.828 2 HA2 GLY 1 1HA GLY 1 14.032 2.467 13.555 3 HA3 GLY 1 2HA GLY 1 13.058 1.266 12.665 4 H MET 2 H MET 2 15.382 3.024 11.863 5 HA MET 2 HA MET 2 14.389 4.779 9.718 6 HB2 MET 2 1HB MET 2 17.233 3.854 10.271 7 HB3 MET 2 2HB MET 2 16.679 5.242 9.340 8 HG2 MET 2 1HG MET 2 17.469 6.175 11.313 9 HG3 MET 2 2HG MET 2 15.714 6.152 11.535 10 HE1 MET 2 3HE MET 2 17.741 6.652 14.023 11 HE2 MET 2 1HE MET 2 15.961 6.591 14.154 12 HE3 MET 2 2HE MET 2 16.974 5.609 15.231 13 H VAL 3 H VAL 3 13.351 2.199 9.653 14 HA VAL 3 HA VAL 3 14.565 0.854 7.364 15 HB VAL 3 HB VAL 3 12.726 -0.658 7.571 16 HG11 VAL 3 1HG1 VAL 3 13.195 -1.628 9.681 17 HG12 VAL 3 2HG1 VAL 3 14.656 -0.710 9.284 18 HG13 VAL 3 3HG1 VAL 3 13.505 -0.065 10.459 19 HG21 VAL 3 3HG2 VAL 3 10.992 -0.441 9.345 20 HG22 VAL 3 1HG2 VAL 3 11.503 1.227 9.635 21 HG23 VAL 3 2HG2 VAL 3 10.827 0.735 8.058 22 H LYS 4 H LYS 4 14.363 1.924 5.504 23 HA LYS 4 HA LYS 4 11.594 2.756 4.798 24 HB2 LYS 4 1HB LYS 4 13.992 4.181 3.622 25 HB3 LYS 4 2HB LYS 4 12.289 4.477 3.316 26 HG2 LYS 4 1HG LYS 4 12.752 6.217 4.671 27 HG3 LYS 4 2HG LYS 4 12.112 5.091 5.856 28 HD2 LYS 4 1HD LYS 4 14.347 4.648 6.702 29 HD3 LYS 4 2HD LYS 4 15.076 5.315 5.225 30 HE2 LYS 4 1HE LYS 4 13.822 7.536 6.042 31 HE3 LYS 4 2HE LYS 4 13.943 6.732 7.615 32 HZ1 LYS 4 3HZ LYS 4 15.941 7.883 7.456 33 HZ2 LYS 4 1HZ LYS 4 16.095 7.655 5.842 34 HZ3 LYS 4 2HZ LYS 4 16.401 6.425 6.844 35 H GLU 5 H GLU 5 13.184 0.248 4.645 36 HA GLU 5 HA GLU 5 13.031 -0.249 1.742 37 HB2 GLU 5 1HB GLU 5 15.083 -1.494 1.840 38 HB3 GLU 5 2HB GLU 5 15.366 0.119 2.544 39 HG2 GLU 5 1HG GLU 5 15.403 -0.682 4.747 40 HG3 GLU 5 2HG GLU 5 14.831 -2.284 4.276 41 H THR 6 H THR 6 11.176 -0.566 3.861 42 HA THR 6 HA THR 6 10.833 -3.498 4.099 43 HB THR 6 HB THR 6 8.732 -1.630 5.109 44 HG1 THR 6 1HG THR 6 9.879 -1.229 6.969 45 HG21 THR 6 3HG2 THR 6 8.698 -3.278 6.944 46 HG22 THR 6 1HG2 THR 6 10.144 -4.065 6.281 47 HG23 THR 6 2HG2 THR 6 8.606 -4.101 5.381 48 H THR 7 H THR 7 9.130 -4.534 3.126 49 HA THR 7 HA THR 7 8.659 -3.749 0.510 50 HB THR 7 HB THR 7 8.765 -6.045 1.611 51 HG1 THR 7 1HG THR 7 8.380 -6.519 -0.275 52 HG21 THR 7 3HG2 THR 7 5.763 -5.765 1.821 53 HG22 THR 7 1HG2 THR 7 6.848 -5.646 3.232 54 HG23 THR 7 2HG2 THR 7 6.763 -7.150 2.297 55 H TYR 8 H TYR 8 6.439 -4.187 -0.339 56 HA TYR 8 HA TYR 8 4.908 -1.765 -0.054 57 HB2 TYR 8 1HB TYR 8 4.303 -4.343 -1.546 58 HB3 TYR 8 2HB TYR 8 3.328 -2.896 -1.696 59 HD1 TYR 8 2HD TYR 8 5.287 -0.700 -1.885 60 HD2 TYR 8 1HD TYR 8 5.329 -4.650 -3.601 61 HE1 TYR 8 2HE TYR 8 6.569 0.170 -3.841 62 HE2 TYR 8 1HE TYR 8 6.570 -3.798 -5.566 63 HH TYR 8 HH TYR 8 7.861 -1.857 -6.399 64 H TYR 9 H TYR 9 4.742 -4.219 2.153 65 HA TYR 9 HA TYR 9 1.803 -3.955 2.564 66 HB2 TYR 9 1HB TYR 9 3.939 -5.715 3.788 67 HB3 TYR 9 2HB TYR 9 2.349 -5.540 4.493 68 HD1 TYR 9 2HD TYR 9 0.331 -5.736 2.573 69 HD2 TYR 9 1HD TYR 9 4.176 -7.700 2.476 70 HE1 TYR 9 2HE TYR 9 -0.670 -7.665 1.396 71 HE2 TYR 9 1HE TYR 9 3.199 -9.575 1.289 72 HH TYR 9 HH TYR 9 -0.334 -9.798 0.515 73 H ASP 10 H ASP 10 4.921 -3.351 4.315 74 HA ASP 10 HA ASP 10 3.694 -2.264 6.606 75 HB2 ASP 10 1HB ASP 10 6.349 -2.811 5.779 76 HB3 ASP 10 2HB ASP 10 6.331 -1.097 6.078 77 H VAL 11 H VAL 11 4.464 -0.804 3.548 78 HA VAL 11 HA VAL 11 4.389 1.922 4.116 79 HB VAL 11 HB VAL 11 3.415 0.334 1.691 80 HG11 VAL 11 1HG1 VAL 11 3.838 3.335 1.929 81 HG12 VAL 11 2HG1 VAL 11 3.734 2.459 0.386 82 HG13 VAL 11 3HG1 VAL 11 2.341 2.479 1.468 83 HG21 VAL 11 3HG2 VAL 11 5.816 0.058 2.151 84 HG22 VAL 11 1HG2 VAL 11 5.584 1.017 0.690 85 HG23 VAL 11 2HG2 VAL 11 6.028 1.818 2.213 86 H LEU 12 H LEU 12 1.728 -0.400 3.897 87 HA LEU 12 HA LEU 12 -0.304 1.754 4.223 88 HB2 LEU 12 1HB LEU 12 -0.693 -1.168 3.522 89 HB3 LEU 12 2HB LEU 12 -1.943 0.059 3.601 90 HG LEU 12 HG LEU 12 0.060 1.139 1.857 91 HD11 LEU 12 1HD1 LEU 12 0.992 -1.049 1.614 92 HD12 LEU 12 2HD1 LEU 12 0.150 -0.636 0.103 93 HD13 LEU 12 3HD1 LEU 12 -0.575 -1.774 1.251 94 HD21 LEU 12 3HD2 LEU 12 -1.549 1.182 0.204 95 HD22 LEU 12 1HD2 LEU 12 -2.408 1.461 1.742 96 HD23 LEU 12 2HD2 LEU 12 -2.515 -0.120 0.927 97 H GLY 13 H GLY 13 1.703 0.211 6.172 98 HA2 GLY 13 1HA GLY 13 1.743 -0.353 8.354 99 HA3 GLY 13 2HA GLY 13 0.176 0.456 8.527 100 H VAL 14 H VAL 14 0.579 -2.283 6.285 101 HA VAL 14 HA VAL 14 -1.001 -3.974 8.163 102 HB VAL 14 HB VAL 14 -1.714 -5.283 6.299 103 HG11 VAL 14 1HG1 VAL 14 -2.279 -2.367 5.659 104 HG12 VAL 14 2HG1 VAL 14 -3.247 -3.782 5.185 105 HG13 VAL 14 3HG1 VAL 14 -3.105 -3.348 6.884 106 HG21 VAL 14 3HG2 VAL 14 0.172 -4.999 4.728 107 HG22 VAL 14 1HG2 VAL 14 -1.387 -4.689 3.950 108 HG23 VAL 14 2HG2 VAL 14 -0.344 -3.330 4.408 109 H LYS 15 H LYS 15 -0.046 -5.929 8.732 110 HA LYS 15 HA LYS 15 2.742 -6.070 8.588 111 HB2 LYS 15 1HB LYS 15 2.267 -8.625 9.140 112 HB3 LYS 15 2HB LYS 15 2.128 -7.332 10.307 113 HG2 LYS 15 1HG LYS 15 0.330 -8.882 10.538 114 HG3 LYS 15 2HG LYS 15 -0.292 -7.305 10.090 115 HD2 LYS 15 1HD LYS 15 -0.674 -8.058 7.818 116 HD3 LYS 15 2HD LYS 15 0.109 -9.615 8.160 117 HE2 LYS 15 1HE LYS 15 -1.586 -10.080 9.942 118 HE3 LYS 15 2HE LYS 15 -2.470 -8.622 9.473 119 HZ1 LYS 15 3HZ LYS 15 -3.186 -10.908 8.550 120 HZ2 LYS 15 1HZ LYS 15 -2.006 -10.763 7.475 121 HZ3 LYS 15 2HZ LYS 15 -3.245 -9.649 7.569 122 HA PRO 16 HA PRO 16 3.686 -7.802 4.691 123 HB2 PRO 16 1HB PRO 16 5.740 -9.599 5.150 124 HB3 PRO 16 2HB PRO 16 5.913 -7.817 5.111 125 HG2 PRO 16 1HG PRO 16 5.534 -9.609 7.520 126 HG3 PRO 16 2HG PRO 16 6.720 -8.285 7.306 127 HD2 PRO 16 1HD PRO 16 4.416 -7.890 8.668 128 HD3 PRO 16 2HD PRO 16 5.040 -6.621 7.576 129 H ASN 17 H ASN 17 2.446 -9.806 7.181 130 HA ASN 17 HA ASN 17 1.879 -12.059 5.369 131 HB2 ASN 17 1HB ASN 17 2.548 -12.345 7.812 132 HB3 ASN 17 2HB ASN 17 0.962 -11.719 8.249 133 HD21 ASN 17 1HD2 ASN 17 2.589 -14.267 6.274 134 HD22 ASN 17 2HD2 ASN 17 1.278 -15.429 6.497 135 H ALA 18 H ALA 18 0.644 -9.155 5.024 136 HA ALA 18 HA ALA 18 -2.132 -9.562 5.668 137 HB1 ALA 18 1HB ALA 18 -0.837 -7.436 3.958 138 HB2 ALA 18 2HB ALA 18 -2.513 -7.418 4.541 139 HB3 ALA 18 3HB ALA 18 -1.177 -7.341 5.688 140 H THR 19 H THR 19 -3.881 -9.329 4.099 141 HA THR 19 HA THR 19 -3.530 -11.039 1.695 142 HB THR 19 HB THR 19 -6.085 -11.343 2.197 143 HG1 THR 19 1HG THR 19 -5.295 -10.461 4.719 144 HG21 THR 19 3HG2 THR 19 -4.341 -13.134 2.617 145 HG22 THR 19 1HG2 THR 19 -5.688 -13.168 3.768 146 HG23 THR 19 2HG2 THR 19 -4.129 -12.468 4.249 147 H GLN 20 H GLN 20 -5.282 -10.638 -0.048 148 HA GLN 20 HA GLN 20 -5.127 -7.939 -0.985 149 HB2 GLN 20 1HB GLN 20 -7.227 -9.874 -1.894 150 HB3 GLN 20 2HB GLN 20 -6.457 -8.599 -2.799 151 HG2 GLN 20 1HG GLN 20 -4.984 -11.138 -1.906 152 HG3 GLN 20 2HG GLN 20 -5.891 -10.951 -3.395 153 HE21 GLN 20 1HE2 GLN 20 -3.546 -8.660 -1.798 154 HE22 GLN 20 2HE2 GLN 20 -2.899 -8.267 -3.377 155 H GLU 21 H GLU 21 -7.573 -9.686 0.959 156 HA GLU 21 HA GLU 21 -9.586 -7.648 0.752 157 HB2 GLU 21 1HB GLU 21 -9.111 -9.786 2.879 158 HB3 GLU 21 2HB GLU 21 -10.539 -8.743 2.717 159 HG2 GLU 21 1HG GLU 21 -10.663 -9.584 0.312 160 HG3 GLU 21 2HG GLU 21 -9.699 -10.968 0.899 161 H GLU 22 H GLU 22 -6.853 -8.207 2.954 162 HA GLU 22 HA GLU 22 -7.491 -6.059 4.776 163 HB2 GLU 22 1HB GLU 22 -4.953 -7.630 4.206 164 HB3 GLU 22 2HB GLU 22 -5.082 -6.377 5.456 165 HG2 GLU 22 1HG GLU 22 -6.885 -7.629 6.567 166 HG3 GLU 22 2HG GLU 22 -6.858 -8.855 5.288 167 H LEU 23 H LEU 23 -5.357 -6.270 1.716 168 HA LEU 23 HA LEU 23 -4.476 -3.689 1.829 169 HB2 LEU 23 1HB LEU 23 -5.323 -5.475 -0.453 170 HB3 LEU 23 2HB LEU 23 -5.040 -3.785 -0.785 171 HG LEU 23 HG LEU 23 -3.148 -4.987 -1.313 172 HD11 LEU 23 1HD1 LEU 23 -2.810 -2.714 -0.215 173 HD12 LEU 23 2HD1 LEU 23 -1.405 -3.778 -0.166 174 HD13 LEU 23 3HD1 LEU 23 -2.388 -3.577 1.285 175 HD21 LEU 23 3HD2 LEU 23 -1.721 -6.224 0.160 176 HD22 LEU 23 1HD2 LEU 23 -3.301 -6.968 -0.013 177 HD23 LEU 23 2HD2 LEU 23 -2.908 -6.059 1.479 178 H LYS 24 H LYS 24 -7.709 -4.735 0.634 179 HA LYS 24 HA LYS 24 -8.563 -2.070 0.046 180 HB2 LYS 24 1HB LYS 24 -9.555 -4.355 -0.702 181 HB3 LYS 24 2HB LYS 24 -10.401 -4.364 0.837 182 HG2 LYS 24 1HG LYS 24 -11.954 -3.509 -0.697 183 HG3 LYS 24 2HG LYS 24 -11.366 -2.069 0.151 184 HD2 LYS 24 1HD LYS 24 -9.834 -1.593 -1.774 185 HD3 LYS 24 2HD LYS 24 -10.351 -3.084 -2.560 186 HE2 LYS 24 1HE LYS 24 -11.486 -1.202 -3.579 187 HE3 LYS 24 2HE LYS 24 -12.663 -2.220 -2.740 188 HZ1 LYS 24 3HZ LYS 24 -13.017 0.140 -2.303 189 HZ2 LYS 24 1HZ LYS 24 -11.492 0.275 -1.692 190 HZ3 LYS 24 2HZ LYS 24 -12.653 -0.622 -0.922 191 H LYS 25 H LYS 25 -9.278 -4.111 2.965 192 HA LYS 25 HA LYS 25 -10.825 -1.997 4.206 193 HB2 LYS 25 1HB LYS 25 -9.584 -4.550 5.344 194 HB3 LYS 25 2HB LYS 25 -10.478 -3.381 6.312 195 HG2 LYS 25 1HG LYS 25 -12.426 -3.689 4.615 196 HG3 LYS 25 2HG LYS 25 -11.557 -5.151 4.102 197 HD2 LYS 25 1HD LYS 25 -11.611 -5.987 6.454 198 HD3 LYS 25 2HD LYS 25 -12.373 -4.479 6.947 199 HE2 LYS 25 1HE LYS 25 -14.242 -5.670 6.891 200 HE3 LYS 25 2HE LYS 25 -14.259 -5.211 5.200 201 HZ1 LYS 25 3HZ LYS 25 -13.549 -7.400 4.619 202 HZ2 LYS 25 1HZ LYS 25 -14.692 -7.595 5.729 203 HZ3 LYS 25 2HZ LYS 25 -13.113 -7.784 6.154 204 H ALA 26 H ALA 26 -7.281 -2.649 4.317 205 HA ALA 26 HA ALA 26 -7.014 -0.713 6.470 206 HB1 ALA 26 1HB ALA 26 -5.499 -2.574 6.424 207 HB2 ALA 26 2HB ALA 26 -4.968 -2.159 4.791 208 HB3 ALA 26 3HB ALA 26 -4.590 -1.074 6.141 209 H TYR 27 H TYR 27 -6.537 -0.759 2.953 210 HA TYR 27 HA TYR 27 -5.133 1.648 2.653 211 HB2 TYR 27 1HB TYR 27 -5.333 0.177 0.764 212 HB3 TYR 27 2HB TYR 27 -7.097 0.261 0.792 213 HD1 TYR 27 1HD TYR 27 -4.010 2.067 -0.087 214 HD2 TYR 27 2HD TYR 27 -8.294 2.110 -0.145 215 HE1 TYR 27 1HE TYR 27 -3.955 4.032 -1.637 216 HE2 TYR 27 2HE TYR 27 -8.276 4.034 -1.724 217 HH TYR 27 HH TYR 27 -6.808 5.124 -3.315 218 H ARG 28 H ARG 28 -8.686 1.103 2.468 219 HA ARG 28 HA ARG 28 -9.413 3.746 2.055 220 HB2 ARG 28 1HB ARG 28 -10.735 1.244 2.802 221 HB3 ARG 28 2HB ARG 28 -11.435 2.557 3.713 222 HG2 ARG 28 1HG ARG 28 -11.515 3.792 1.376 223 HG3 ARG 28 2HG ARG 28 -11.284 2.154 0.727 224 HD2 ARG 28 1HD ARG 28 -13.287 1.398 2.033 225 HD3 ARG 28 2HD ARG 28 -13.520 3.037 2.632 226 HE ARG 28 HE ARG 28 -14.241 1.964 0.014 227 HH11 ARG 28 1HH1 ARG 28 -13.284 5.025 1.552 228 HH12 ARG 28 2HH1 ARG 28 -14.222 5.977 0.425 229 HH21 ARG 28 1HH2 ARG 28 -15.683 3.296 -1.260 230 HH22 ARG 28 2HH2 ARG 28 -15.475 5.023 -1.176 231 H LYS 29 H LYS 29 -8.360 2.361 5.103 232 HA LYS 29 HA LYS 29 -9.329 4.423 6.873 233 HB2 LYS 29 1HB LYS 29 -6.689 2.961 7.202 234 HB3 LYS 29 2HB LYS 29 -7.699 3.630 8.464 235 HG2 LYS 29 1HG LYS 29 -9.390 1.867 8.072 236 HG3 LYS 29 2HG LYS 29 -8.446 1.254 6.724 237 HD2 LYS 29 1HD LYS 29 -7.910 0.966 9.656 238 HD3 LYS 29 2HD LYS 29 -7.935 -0.232 8.333 239 HE2 LYS 29 1HE LYS 29 -5.783 0.673 7.486 240 HE3 LYS 29 2HE LYS 29 -5.723 1.800 8.843 241 HZ1 LYS 29 3HZ LYS 29 -5.820 -1.133 9.251 242 HZ2 LYS 29 1HZ LYS 29 -5.452 0.037 10.348 243 HZ3 LYS 29 2HZ LYS 29 -4.430 -0.262 9.130 244 H LEU 30 H LEU 30 -6.228 3.915 5.174 245 HA LEU 30 HA LEU 30 -5.063 6.337 6.184 246 HB2 LEU 30 1HB LEU 30 -4.160 4.270 4.205 247 HB3 LEU 30 2HB LEU 30 -3.130 5.597 4.735 248 HG LEU 30 HG LEU 30 -4.382 3.607 6.678 249 HD11 LEU 30 1HD1 LEU 30 -2.964 2.331 5.179 250 HD12 LEU 30 2HD1 LEU 30 -2.166 2.525 6.753 251 HD13 LEU 30 3HD1 LEU 30 -1.638 3.504 5.379 252 HD21 LEU 30 3HD2 LEU 30 -3.380 5.964 7.419 253 HD22 LEU 30 1HD2 LEU 30 -1.834 5.138 7.178 254 HD23 LEU 30 2HD2 LEU 30 -3.001 4.490 8.329 255 H ALA 31 H ALA 31 -6.435 5.314 3.042 256 HA ALA 31 HA ALA 31 -5.716 7.590 1.536 257 HB1 ALA 31 1HB ALA 31 -8.279 5.927 1.402 258 HB2 ALA 31 2HB ALA 31 -7.647 6.991 0.124 259 HB3 ALA 31 3HB ALA 31 -6.736 5.545 0.597 260 H LEU 32 H LEU 32 -8.318 7.172 3.961 261 HA LEU 32 HA LEU 32 -9.455 9.803 3.438 262 HB2 LEU 32 1HB LEU 32 -9.866 7.695 5.593 263 HB3 LEU 32 2HB LEU 32 -10.736 9.222 5.571 264 HG LEU 32 HG LEU 32 -10.828 7.221 3.265 265 HD11 LEU 32 1HD1 LEU 32 -12.889 7.668 5.463 266 HD12 LEU 32 2HD1 LEU 32 -11.813 6.244 5.329 267 HD13 LEU 32 3HD1 LEU 32 -13.031 6.563 4.087 268 HD21 LEU 32 3HD2 LEU 32 -12.530 9.656 3.931 269 HD22 LEU 32 1HD2 LEU 32 -12.878 8.500 2.635 270 HD23 LEU 32 2HD2 LEU 32 -11.420 9.504 2.563 271 H LYS 33 H LYS 33 -6.719 8.706 5.235 272 HA LYS 33 HA LYS 33 -6.715 11.019 7.087 273 HB2 LYS 33 1HB LYS 33 -5.814 9.034 8.060 274 HB3 LYS 33 2HB LYS 33 -4.859 8.635 6.646 275 HG2 LYS 33 1HG LYS 33 -3.378 9.372 8.380 276 HG3 LYS 33 2HG LYS 33 -3.371 10.578 7.112 277 HD2 LYS 33 1HD LYS 33 -3.407 11.825 9.076 278 HD3 LYS 33 2HD LYS 33 -5.081 11.887 8.536 279 HE2 LYS 33 1HE LYS 33 -4.958 9.605 10.211 280 HE3 LYS 33 2HE LYS 33 -3.849 10.749 10.971 281 HZ1 LYS 33 3HZ LYS 33 -5.797 12.386 10.732 282 HZ2 LYS 33 1HZ LYS 33 -5.952 11.253 11.891 283 HZ3 LYS 33 2HZ LYS 33 -6.727 11.060 10.465 284 H TYR 34 H TYR 34 -4.576 9.697 4.511 285 HA TYR 34 HA TYR 34 -3.143 12.193 4.277 286 HB2 TYR 34 1HB TYR 34 -3.027 9.634 2.620 287 HB3 TYR 34 2HB TYR 34 -1.860 10.952 2.552 288 HD1 TYR 34 2HD TYR 34 -0.560 11.578 4.691 289 HD2 TYR 34 1HD TYR 34 -2.710 7.855 4.249 290 HE1 TYR 34 2HE TYR 34 0.690 10.611 6.588 291 HE2 TYR 34 1HE TYR 34 -1.453 6.899 6.079 292 HH TYR 34 HH TYR 34 -0.429 7.680 8.147 293 H HIS 35 H HIS 35 -6.191 11.897 3.313 294 HA HIS 35 HA HIS 35 -6.121 12.110 0.505 295 HB2 HIS 35 1HB HIS 35 -8.123 11.824 2.293 296 HB3 HIS 35 2HB HIS 35 -8.224 13.569 2.133 297 HD1 HIS 35 1HD HIS 35 -10.070 14.135 0.321 298 HD2 HIS 35 2HD HIS 35 -7.944 10.553 -0.366 299 HE1 HIS 35 1HE HIS 35 -10.804 13.275 -1.949 300 HA PRO 36 HA PRO 36 -4.124 15.931 0.111 301 HB2 PRO 36 1HB PRO 36 -5.094 16.974 -2.270 302 HB3 PRO 36 2HB PRO 36 -3.901 15.636 -2.132 303 HG2 PRO 36 1HG PRO 36 -6.892 15.452 -2.553 304 HG3 PRO 36 2HG PRO 36 -5.594 14.540 -3.391 305 HD2 PRO 36 1HD PRO 36 -6.968 13.440 -1.365 306 HD3 PRO 36 2HD PRO 36 -5.202 13.195 -1.478 307 H ASP 37 H ASP 37 -7.564 16.227 -0.633 308 HA ASP 37 HA ASP 37 -8.229 18.848 -0.252 309 HB2 ASP 37 1HB ASP 37 -9.717 17.003 -0.960 310 HB3 ASP 37 2HB ASP 37 -9.632 16.306 0.649 311 H LYS 38 H LYS 38 -7.503 16.518 2.340 312 HA LYS 38 HA LYS 38 -7.960 18.670 4.358 313 HB2 LYS 38 1HB LYS 38 -8.436 15.665 4.526 314 HB3 LYS 38 2HB LYS 38 -8.489 16.743 5.914 315 HG2 LYS 38 1HG LYS 38 -10.347 16.879 3.518 316 HG3 LYS 38 2HG LYS 38 -10.711 16.283 5.126 317 HD2 LYS 38 1HD LYS 38 -9.934 18.697 5.911 318 HD3 LYS 38 2HD LYS 38 -10.219 19.130 4.219 319 HE2 LYS 38 1HE LYS 38 -12.544 18.249 4.436 320 HE3 LYS 38 2HE LYS 38 -12.237 17.912 6.157 321 HZ1 LYS 38 3HZ LYS 38 -11.852 20.311 6.462 322 HZ2 LYS 38 1HZ LYS 38 -13.334 20.006 5.850 323 HZ3 LYS 38 2HZ LYS 38 -12.140 20.562 4.863 324 H ASN 39 H ASN 39 -5.438 17.052 2.867 325 HA ASN 39 HA ASN 39 -3.725 17.875 5.059 326 HB2 ASN 39 1HB ASN 39 -4.517 15.411 5.498 327 HB3 ASN 39 2HB ASN 39 -3.372 14.968 4.271 328 HD21 ASN 39 1HD2 ASN 39 -1.135 15.918 4.641 329 HD22 ASN 39 2HD2 ASN 39 -0.558 15.744 6.304 330 HA PRO 40 HA PRO 40 -2.451 18.087 0.517 331 HB2 PRO 40 1HB PRO 40 -1.756 20.780 0.462 332 HB3 PRO 40 2HB PRO 40 -3.387 20.123 0.091 333 HG2 PRO 40 1HG PRO 40 -2.363 21.346 2.646 334 HG3 PRO 40 2HG PRO 40 -3.953 21.580 1.860 335 HD2 PRO 40 1HD PRO 40 -3.560 19.858 3.974 336 HD3 PRO 40 2HD PRO 40 -4.759 19.540 2.683 337 H ASN 41 H ASN 41 -0.843 18.767 3.492 338 HA ASN 41 HA ASN 41 1.800 19.288 2.405 339 HB2 ASN 41 1HB ASN 41 0.718 19.458 4.966 340 HB3 ASN 41 2HB ASN 41 1.660 17.990 5.082 341 HD21 ASN 41 1HD2 ASN 41 1.754 21.459 4.423 342 HD22 ASN 41 2HD2 ASN 41 3.481 21.551 4.841 343 H GLU 42 H GLU 42 -0.137 16.455 2.554 344 HA GLU 42 HA GLU 42 2.241 14.668 2.421 345 HB2 GLU 42 1HB GLU 42 -0.407 14.274 3.929 346 HB3 GLU 42 2HB GLU 42 0.831 13.015 3.677 347 HG2 GLU 42 1HG GLU 42 2.530 14.397 4.756 348 HG3 GLU 42 2HG GLU 42 1.381 15.680 5.073 349 H GLY 43 H GLY 43 0.328 16.050 0.388 350 HA2 GLY 43 1HA GLY 43 -1.239 14.034 -0.820 351 HA3 GLY 43 2HA GLY 43 -0.688 15.516 -1.592 352 H GLU 44 H GLU 44 2.352 14.741 -1.291 353 HA GLU 44 HA GLU 44 2.397 12.796 -3.440 354 HB2 GLU 44 1HB GLU 44 3.878 14.664 -3.589 355 HB3 GLU 44 2HB GLU 44 4.603 14.306 -2.003 356 HG2 GLU 44 1HG GLU 44 5.639 12.364 -2.788 357 HG3 GLU 44 2HG GLU 44 4.526 12.206 -4.154 358 H LYS 45 H LYS 45 2.817 12.788 0.106 359 HA LYS 45 HA LYS 45 4.039 10.186 0.267 360 HB2 LYS 45 1HB LYS 45 3.576 12.015 2.143 361 HB3 LYS 45 2HB LYS 45 2.035 11.173 2.306 362 HG2 LYS 45 1HG LYS 45 3.466 8.994 2.484 363 HG3 LYS 45 2HG LYS 45 4.839 10.068 2.725 364 HD2 LYS 45 1HD LYS 45 2.310 10.067 4.442 365 HD3 LYS 45 2HD LYS 45 3.787 9.159 4.814 366 HE2 LYS 45 1HE LYS 45 5.071 11.339 4.718 367 HE3 LYS 45 2HE LYS 45 3.508 12.180 4.581 368 HZ1 LYS 45 3HZ LYS 45 4.370 12.065 6.840 369 HZ2 LYS 45 1HZ LYS 45 4.174 10.422 6.853 370 HZ3 LYS 45 2HZ LYS 45 2.889 11.475 6.672 371 H PHE 46 H PHE 46 0.798 11.239 -0.398 372 HA PHE 46 HA PHE 46 -0.640 8.827 -0.068 373 HB2 PHE 46 1HB PHE 46 -1.256 11.273 -0.997 374 HB3 PHE 46 2HB PHE 46 -1.121 10.490 -2.536 375 HD1 PHE 46 2HD PHE 46 -2.324 7.675 -1.346 376 HD2 PHE 46 1HD PHE 46 -3.559 11.801 -1.443 377 HE1 PHE 46 2HE PHE 46 -4.650 6.958 -1.270 378 HE2 PHE 46 1HE PHE 46 -5.937 11.052 -1.456 379 HZ PHE 46 HZ PHE 46 -6.488 8.641 -1.304 380 H LYS 47 H LYS 47 1.537 9.887 -2.698 381 HA LYS 47 HA LYS 47 0.967 7.854 -4.537 382 HB2 LYS 47 1HB LYS 47 2.470 10.097 -4.588 383 HB3 LYS 47 2HB LYS 47 3.777 8.926 -4.331 384 HG2 LYS 47 1HG LYS 47 2.670 7.674 -6.382 385 HG3 LYS 47 2HG LYS 47 1.801 9.198 -6.610 386 HD2 LYS 47 1HD LYS 47 4.828 8.805 -6.580 387 HD3 LYS 47 2HD LYS 47 3.819 9.059 -8.028 388 HE2 LYS 47 1HE LYS 47 3.083 11.236 -7.047 389 HE3 LYS 47 2HE LYS 47 4.187 10.973 -5.689 390 HZ1 LYS 47 3HZ LYS 47 5.450 12.238 -7.046 391 HZ2 LYS 47 1HZ LYS 47 4.935 11.551 -8.465 392 HZ3 LYS 47 2HZ LYS 47 5.969 10.766 -7.449 393 H GLN 48 H GLN 48 3.156 7.706 -1.712 394 HA GLN 48 HA GLN 48 4.348 5.187 -2.412 395 HB2 GLN 48 1HB GLN 48 3.897 6.753 0.141 396 HB3 GLN 48 2HB GLN 48 4.226 5.037 0.284 397 HG2 GLN 48 1HG GLN 48 6.129 6.144 -1.593 398 HG3 GLN 48 2HG GLN 48 6.071 7.175 -0.171 399 HE21 GLN 48 1HE2 GLN 48 6.341 3.587 -1.012 400 HE22 GLN 48 2HE2 GLN 48 7.479 3.313 0.293 401 H ILE 49 H ILE 49 1.261 6.096 -0.940 402 HA ILE 49 HA ILE 49 0.527 3.443 -0.083 403 HB ILE 49 HB ILE 49 -1.471 5.643 -0.673 404 HG12 ILE 49 1HG1 ILE 49 0.206 5.463 1.862 405 HG13 ILE 49 2HG1 ILE 49 0.328 6.729 0.644 406 HG21 ILE 49 1HG2 ILE 49 -2.192 3.344 0.023 407 HG22 ILE 49 2HG2 ILE 49 -1.364 3.608 1.583 408 HG23 ILE 49 3HG2 ILE 49 -2.748 4.615 1.108 409 HD11 ILE 49 3HD1 ILE 49 -2.145 7.250 1.076 410 HD12 ILE 49 1HD1 ILE 49 -1.966 6.251 2.543 411 HD13 ILE 49 2HD1 ILE 49 -0.968 7.692 2.326 412 H SER 50 H SER 50 -0.301 5.540 -3.018 413 HA SER 50 HA SER 50 -1.822 3.634 -4.294 414 HB2 SER 50 1HB SER 50 -0.227 5.329 -6.023 415 HB3 SER 50 2HB SER 50 -1.978 5.137 -5.872 416 HG SER 50 HG SER 50 -2.096 6.714 -4.492 417 H GLN 51 H GLN 51 1.739 4.230 -4.753 418 HA GLN 51 HA GLN 51 2.146 2.289 -6.716 419 HB2 GLN 51 1HB GLN 51 3.837 3.928 -6.093 420 HB3 GLN 51 2HB GLN 51 3.922 3.296 -4.458 421 HG2 GLN 51 1HG GLN 51 5.881 2.598 -5.686 422 HG3 GLN 51 2HG GLN 51 4.904 1.186 -5.288 423 HE21 GLN 51 1HE2 GLN 51 6.093 0.024 -7.089 424 HE22 GLN 51 2HE2 GLN 51 5.598 0.362 -8.735 425 H ALA 52 H ALA 52 2.141 1.917 -3.153 426 HA ALA 52 HA ALA 52 2.912 -0.850 -3.250 427 HB1 ALA 52 1HB ALA 52 3.354 0.596 -1.287 428 HB2 ALA 52 2HB ALA 52 1.611 0.844 -1.058 429 HB3 ALA 52 3HB ALA 52 2.319 -0.762 -0.829 430 H TYR 53 H TYR 53 -0.256 0.770 -2.784 431 HA TYR 53 HA TYR 53 -1.766 -1.630 -2.558 432 HB2 TYR 53 1HB TYR 53 -2.579 0.550 -1.815 433 HB3 TYR 53 2HB TYR 53 -2.499 1.186 -3.455 434 HD1 TYR 53 1HD TYR 53 -4.291 -1.286 -1.258 435 HD2 TYR 53 2HD TYR 53 -4.264 0.826 -5.032 436 HE1 TYR 53 1HE TYR 53 -6.597 -2.056 -1.712 437 HE2 TYR 53 2HE TYR 53 -6.553 0.056 -5.489 438 HH TYR 53 HH TYR 53 -8.080 -1.702 -4.851 439 H GLU 54 H GLU 54 -0.439 0.016 -5.407 440 HA GLU 54 HA GLU 54 -2.308 -1.132 -7.314 441 HB2 GLU 54 1HB GLU 54 -1.160 0.965 -7.813 442 HB3 GLU 54 2HB GLU 54 0.407 0.189 -7.600 443 HG2 GLU 54 1HG GLU 54 0.196 0.367 -9.887 444 HG3 GLU 54 2HG GLU 54 -0.148 -1.319 -9.597 445 H VAL 55 H VAL 55 1.132 -1.840 -6.427 446 HA VAL 55 HA VAL 55 1.425 -4.103 -8.103 447 HB VAL 55 HB VAL 55 2.825 -3.404 -5.478 448 HG11 VAL 55 1HG1 VAL 55 4.646 -4.860 -6.295 449 HG12 VAL 55 2HG1 VAL 55 3.189 -5.777 -5.945 450 HG13 VAL 55 3HG1 VAL 55 3.615 -5.407 -7.634 451 HG21 VAL 55 3HG2 VAL 55 3.084 -1.692 -7.308 452 HG22 VAL 55 1HG2 VAL 55 4.584 -2.496 -6.867 453 HG23 VAL 55 2HG2 VAL 55 3.735 -2.969 -8.352 454 H LEU 56 H LEU 56 -0.075 -3.766 -4.940 455 HA LEU 56 HA LEU 56 -0.393 -6.702 -4.696 456 HB2 LEU 56 1HB LEU 56 -0.983 -4.399 -2.819 457 HB3 LEU 56 2HB LEU 56 -1.157 -6.104 -2.399 458 HG LEU 56 HG LEU 56 1.487 -4.772 -3.156 459 HD11 LEU 56 1HD1 LEU 56 2.087 -5.196 -0.784 460 HD12 LEU 56 2HD1 LEU 56 0.432 -5.724 -0.468 461 HD13 LEU 56 3HD1 LEU 56 0.760 -4.044 -0.960 462 HD21 LEU 56 3HD2 LEU 56 0.939 -7.619 -2.203 463 HD22 LEU 56 1HD2 LEU 56 2.526 -6.866 -2.432 464 HD23 LEU 56 2HD2 LEU 56 1.499 -7.150 -3.828 465 H SER 57 H SER 57 -2.170 -4.297 -6.215 466 HA SER 57 HA SER 57 -4.803 -5.119 -5.264 467 HB2 SER 57 1HB SER 57 -3.686 -3.187 -7.255 468 HB3 SER 57 2HB SER 57 -5.332 -3.788 -7.554 469 HG SER 57 HG SER 57 -4.279 -2.477 -5.293 470 H ASP 58 H ASP 58 -2.634 -6.118 -7.936 471 HA ASP 58 HA ASP 58 -4.937 -7.575 -9.145 472 HB2 ASP 58 1HB ASP 58 -3.504 -5.946 -10.569 473 HB3 ASP 58 2HB ASP 58 -2.251 -7.152 -10.471 474 H ALA 59 H ALA 59 -4.772 -9.743 -9.556 475 HA ALA 59 HA ALA 59 -3.090 -11.310 -7.875 476 HB1 ALA 59 1HB ALA 59 -3.995 -13.218 -9.169 477 HB2 ALA 59 2HB ALA 59 -5.296 -12.086 -8.751 478 HB3 ALA 59 3HB ALA 59 -4.615 -12.115 -10.397 479 H LYS 60 H LYS 60 -2.557 -10.158 -11.305 480 HA LYS 60 HA LYS 60 -0.372 -12.044 -11.679 481 HB2 LYS 60 1HB LYS 60 -1.783 -9.930 -13.351 482 HB3 LYS 60 2HB LYS 60 -0.152 -10.331 -13.683 483 HG2 LYS 60 1HG LYS 60 -1.334 -11.751 -15.084 484 HG3 LYS 60 2HG LYS 60 -0.764 -12.766 -13.769 485 HD2 LYS 60 1HD LYS 60 -2.919 -13.464 -14.147 486 HD3 LYS 60 2HD LYS 60 -3.108 -12.495 -12.696 487 HE2 LYS 60 1HE LYS 60 -3.495 -11.289 -15.464 488 HE3 LYS 60 2HE LYS 60 -4.764 -12.280 -14.772 489 HZ1 LYS 60 3HZ LYS 60 -3.737 -9.914 -13.308 490 HZ2 LYS 60 1HZ LYS 60 -5.113 -10.777 -13.063 491 HZ3 LYS 60 2HZ LYS 60 -4.922 -9.826 -14.407 492 H LYS 61 H LYS 61 -0.790 -8.509 -10.962 493 HA LYS 61 HA LYS 61 2.069 -8.038 -10.964 494 HB2 LYS 61 1HB LYS 61 -0.176 -6.625 -9.439 495 HB3 LYS 61 2HB LYS 61 1.533 -6.200 -9.339 496 HG2 LYS 61 1HG LYS 61 1.340 -6.120 -12.011 497 HG3 LYS 61 2HG LYS 61 -0.371 -5.876 -11.650 498 HD2 LYS 61 1HD LYS 61 0.540 -3.670 -11.769 499 HD3 LYS 61 2HD LYS 61 0.374 -4.011 -10.054 500 HE2 LYS 61 1HE LYS 61 2.523 -3.268 -9.947 501 HE3 LYS 61 2HE LYS 61 2.907 -4.938 -10.393 502 HZ1 LYS 61 3HZ LYS 61 2.788 -4.028 -12.758 503 HZ2 LYS 61 1HZ LYS 61 4.102 -3.638 -11.868 504 HZ3 LYS 61 2HZ LYS 61 2.882 -2.533 -12.056 505 H ARG 62 H ARG 62 -0.267 -8.919 -8.379 506 HA ARG 62 HA ARG 62 1.736 -9.333 -6.477 507 HB2 ARG 62 1HB ARG 62 -0.639 -9.233 -5.874 508 HB3 ARG 62 2HB ARG 62 -0.882 -10.851 -6.525 509 HG2 ARG 62 1HG ARG 62 0.481 -11.890 -4.916 510 HG3 ARG 62 2HG ARG 62 1.330 -10.399 -4.496 511 HD2 ARG 62 1HD ARG 62 -0.140 -9.771 -2.953 512 HD3 ARG 62 2HD ARG 62 -1.537 -10.265 -3.928 513 HE ARG 62 HE ARG 62 0.141 -11.974 -2.167 514 HH11 ARG 62 1HH1 ARG 62 -2.704 -11.884 -4.334 515 HH12 ARG 62 2HH1 ARG 62 -3.071 -13.552 -4.073 516 HH21 ARG 62 1HH2 ARG 62 -0.452 -14.021 -1.702 517 HH22 ARG 62 2HH2 ARG 62 -1.607 -14.878 -2.651 518 H GLU 63 H GLU 63 0.694 -11.654 -8.996 519 HA GLU 63 HA GLU 63 1.696 -13.988 -8.041 520 HB2 GLU 63 1HB GLU 63 0.514 -13.708 -10.218 521 HB3 GLU 63 2HB GLU 63 1.985 -13.027 -10.917 522 HG2 GLU 63 1HG GLU 63 3.148 -15.208 -10.394 523 HG3 GLU 63 2HG GLU 63 1.592 -15.850 -9.861 524 H LEU 64 H LEU 64 3.574 -11.396 -9.593 525 HA LEU 64 HA LEU 64 6.099 -12.877 -9.322 526 HB2 LEU 64 1HB LEU 64 5.396 -10.073 -10.286 527 HB3 LEU 64 2HB LEU 64 7.049 -10.558 -10.007 528 HG LEU 64 HG LEU 64 6.435 -10.757 -12.362 529 HD11 LEU 64 1HD1 LEU 64 7.421 -12.858 -12.802 530 HD12 LEU 64 2HD1 LEU 64 7.061 -13.479 -11.173 531 HD13 LEU 64 3HD1 LEU 64 8.226 -12.146 -11.393 532 HD21 LEU 64 3HD2 LEU 64 4.978 -12.441 -13.250 533 HD22 LEU 64 1HD2 LEU 64 4.054 -11.492 -12.081 534 HD23 LEU 64 2HD2 LEU 64 4.647 -13.109 -11.638 535 H TYR 65 H TYR 65 4.554 -10.046 -7.750 536 HA TYR 65 HA TYR 65 6.483 -9.302 -5.934 537 HB2 TYR 65 1HB TYR 65 4.427 -8.100 -6.117 538 HB3 TYR 65 2HB TYR 65 3.521 -9.516 -5.572 539 HD1 TYR 65 2HD TYR 65 5.943 -6.944 -4.459 540 HD2 TYR 65 1HD TYR 65 3.273 -10.116 -3.275 541 HE1 TYR 65 2HE TYR 65 6.321 -6.362 -2.115 542 HE2 TYR 65 1HE TYR 65 3.586 -9.517 -0.924 543 HH TYR 65 HH TYR 65 6.044 -7.063 0.036 544 H ASP 66 H ASP 66 4.271 -12.049 -5.632 545 HA ASP 66 HA ASP 66 4.721 -12.928 -3.051 546 HB2 ASP 66 1HB ASP 66 3.055 -13.719 -4.753 547 HB3 ASP 66 2HB ASP 66 4.351 -14.585 -5.564 548 H LYS 67 H LYS 67 6.690 -13.562 -5.925 549 HA LYS 67 HA LYS 67 8.639 -15.153 -4.275 550 HB2 LYS 67 1HB LYS 67 8.561 -16.910 -5.951 551 HB3 LYS 67 2HB LYS 67 6.982 -16.683 -5.197 552 HG2 LYS 67 1HG LYS 67 6.017 -15.731 -7.132 553 HG3 LYS 67 2HG LYS 67 7.577 -15.234 -7.789 554 HD2 LYS 67 1HD LYS 67 8.092 -17.779 -7.899 555 HD3 LYS 67 2HD LYS 67 6.327 -17.985 -7.801 556 HE2 LYS 67 1HE LYS 67 6.017 -16.779 -9.872 557 HE3 LYS 67 2HE LYS 67 7.656 -16.101 -9.778 558 HZ1 LYS 67 3HZ LYS 67 8.404 -18.501 -9.924 559 HZ2 LYS 67 1HZ LYS 67 7.915 -17.761 -11.296 560 HZ3 LYS 67 2HZ LYS 67 6.890 -18.810 -10.539 561 H GLY 68 H GLY 68 8.515 -12.586 -6.300 562 HA2 GLY 68 1HA GLY 68 11.244 -12.984 -7.400 563 HA3 GLY 68 2HA GLY 68 9.901 -12.595 -8.493 564 H GLY 69 H GLY 69 8.421 -10.674 -7.377 565 HA2 GLY 69 1HA GLY 69 8.307 -8.730 -6.193 566 HA3 GLY 69 2HA GLY 69 9.987 -8.884 -5.718 567 H GLU 70 H GLU 70 10.605 -9.006 -8.839 568 HA GLU 70 HA GLU 70 10.372 -6.066 -9.248 569 HB2 GLU 70 1HB GLU 70 12.536 -7.306 -8.126 570 HB3 GLU 70 2HB GLU 70 12.984 -7.343 -9.812 571 HG2 GLU 70 1HG GLU 70 13.828 -5.325 -8.632 572 HG3 GLU 70 2HG GLU 70 12.743 -4.896 -9.960 573 H GLN 71 H GLN 71 8.804 -7.926 -10.587 574 HA GLN 71 HA GLN 71 9.530 -7.239 -13.336 575 HB2 GLN 71 1HB GLN 71 8.793 -10.075 -12.460 576 HB3 GLN 71 2HB GLN 71 8.804 -9.514 -14.137 577 HG2 GLN 71 1HG GLN 71 11.205 -9.017 -13.987 578 HG3 GLN 71 2HG GLN 71 11.244 -9.518 -12.294 579 HE21 GLN 71 1HE2 GLN 71 11.721 -11.635 -11.821 580 HE22 GLN 71 2HE2 GLN 71 11.775 -12.902 -13.049 Start of MODEL 5 1 H1 GLY 1 H GLY 1 13.542 6.544 11.899 2 HA2 GLY 1 1HA GLY 1 15.760 5.575 12.291 3 HA3 GLY 1 2HA GLY 1 15.007 3.978 12.122 4 H MET 2 H MET 2 17.184 5.184 10.525 5 HA MET 2 HA MET 2 16.082 5.804 7.868 6 HB2 MET 2 1HB MET 2 18.481 5.691 7.163 7 HB3 MET 2 2HB MET 2 18.071 6.968 8.292 8 HG2 MET 2 1HG MET 2 19.298 4.359 9.245 9 HG3 MET 2 2HG MET 2 20.273 5.685 8.621 10 HE1 MET 2 3HE MET 2 20.626 4.311 11.462 11 HE2 MET 2 1HE MET 2 21.683 5.631 10.901 12 HE3 MET 2 2HE MET 2 20.922 5.720 12.504 13 H VAL 3 H VAL 3 14.730 4.041 7.759 14 HA VAL 3 HA VAL 3 15.902 1.950 6.122 15 HB VAL 3 HB VAL 3 15.817 0.890 8.296 16 HG11 VAL 3 1HG1 VAL 3 12.855 1.485 8.530 17 HG12 VAL 3 2HG1 VAL 3 13.854 0.520 9.629 18 HG13 VAL 3 3HG1 VAL 3 14.142 2.248 9.482 19 HG21 VAL 3 3HG2 VAL 3 13.623 -0.133 6.483 20 HG22 VAL 3 1HG2 VAL 3 15.334 -0.570 6.483 21 HG23 VAL 3 2HG2 VAL 3 14.323 -1.017 7.849 22 H LYS 4 H LYS 4 14.849 2.432 4.264 23 HA LYS 4 HA LYS 4 11.945 3.129 4.338 24 HB2 LYS 4 1HB LYS 4 14.080 4.402 2.578 25 HB3 LYS 4 2HB LYS 4 12.339 4.518 2.324 26 HG2 LYS 4 1HG LYS 4 12.626 6.452 3.406 27 HG3 LYS 4 2HG LYS 4 12.212 5.414 4.757 28 HD2 LYS 4 1HD LYS 4 13.982 6.729 5.528 29 HD3 LYS 4 2HD LYS 4 14.775 5.199 5.142 30 HE2 LYS 4 1HE LYS 4 15.433 6.185 2.902 31 HE3 LYS 4 2HE LYS 4 14.709 7.718 3.416 32 HZ1 LYS 4 3HZ LYS 4 16.289 7.670 5.309 33 HZ2 LYS 4 1HZ LYS 4 17.022 7.807 3.850 34 HZ3 LYS 4 2HZ LYS 4 17.018 6.343 4.626 35 H GLU 5 H GLU 5 12.520 0.600 4.335 36 HA GLU 5 HA GLU 5 12.324 -0.451 1.609 37 HB2 GLU 5 1HB GLU 5 14.428 -1.731 1.792 38 HB3 GLU 5 2HB GLU 5 14.638 0.013 1.716 39 HG2 GLU 5 1HG GLU 5 14.918 0.000 4.254 40 HG3 GLU 5 2HG GLU 5 14.984 -1.763 4.166 41 H THR 6 H THR 6 10.620 -0.489 3.846 42 HA THR 6 HA THR 6 10.348 -3.424 4.224 43 HB THR 6 HB THR 6 7.898 -2.069 4.845 44 HG1 THR 6 1HG THR 6 8.846 -0.242 5.297 45 HG21 THR 6 3HG2 THR 6 8.605 -4.207 5.773 46 HG22 THR 6 1HG2 THR 6 8.263 -3.051 7.077 47 HG23 THR 6 2HG2 THR 6 9.950 -3.397 6.630 48 H THR 7 H THR 7 8.742 -4.498 3.100 49 HA THR 7 HA THR 7 8.147 -3.633 0.501 50 HB THR 7 HB THR 7 8.368 -5.953 1.408 51 HG1 THR 7 1HG THR 7 7.756 -6.047 -0.516 52 HG21 THR 7 3HG2 THR 7 5.462 -5.675 2.213 53 HG22 THR 7 1HG2 THR 7 6.825 -5.749 3.362 54 HG23 THR 7 2HG2 THR 7 6.469 -7.131 2.303 55 H TYR 8 H TYR 8 5.917 -3.981 -0.248 56 HA TYR 8 HA TYR 8 4.540 -1.540 0.046 57 HB2 TYR 8 1HB TYR 8 3.646 -4.176 -1.161 58 HB3 TYR 8 2HB TYR 8 2.808 -2.658 -1.438 59 HD1 TYR 8 1HD TYR 8 5.089 -0.740 -1.953 60 HD2 TYR 8 2HD TYR 8 4.496 -4.823 -3.174 61 HE1 TYR 8 1HE TYR 8 6.561 -0.355 -3.904 62 HE2 TYR 8 2HE TYR 8 6.126 -4.512 -5.009 63 HH TYR 8 HH TYR 8 7.915 -3.106 -5.640 64 H TYR 9 H TYR 9 3.849 -4.620 1.665 65 HA TYR 9 HA TYR 9 1.263 -3.976 2.676 66 HB2 TYR 9 1HB TYR 9 3.523 -5.712 3.723 67 HB3 TYR 9 2HB TYR 9 1.995 -5.545 4.572 68 HD1 TYR 9 1HD TYR 9 -0.198 -6.058 3.292 69 HD2 TYR 9 2HD TYR 9 3.708 -7.470 2.116 70 HE1 TYR 9 1HE TYR 9 -1.243 -7.966 2.103 71 HE2 TYR 9 2HE TYR 9 2.684 -9.359 0.960 72 HH TYR 9 HH TYR 9 0.589 -10.618 1.049 73 H ASP 10 H ASP 10 4.523 -3.400 4.152 74 HA ASP 10 HA ASP 10 3.302 -2.251 6.519 75 HB2 ASP 10 1HB ASP 10 5.951 -3.102 5.702 76 HB3 ASP 10 2HB ASP 10 6.041 -1.497 6.404 77 H VAL 11 H VAL 11 4.393 -1.028 3.444 78 HA VAL 11 HA VAL 11 4.350 1.772 4.062 79 HB VAL 11 HB VAL 11 3.813 0.198 1.512 80 HG11 VAL 11 1HG1 VAL 11 3.866 3.203 1.834 81 HG12 VAL 11 2HG1 VAL 11 4.025 2.359 0.282 82 HG13 VAL 11 3HG1 VAL 11 2.532 2.200 1.209 83 HG21 VAL 11 3HG2 VAL 11 6.153 1.983 2.226 84 HG22 VAL 11 1HG2 VAL 11 6.159 0.203 2.334 85 HG23 VAL 11 2HG2 VAL 11 5.949 0.994 0.773 86 H LEU 12 H LEU 12 1.845 -0.561 3.039 87 HA LEU 12 HA LEU 12 -0.291 1.343 3.373 88 HB2 LEU 12 1HB LEU 12 -0.219 -1.661 2.915 89 HB3 LEU 12 2HB LEU 12 -1.721 -0.747 2.997 90 HG LEU 12 HG LEU 12 0.492 -0.038 1.020 91 HD11 LEU 12 1HD1 LEU 12 -0.718 -1.308 -0.660 92 HD12 LEU 12 2HD1 LEU 12 -1.953 -1.780 0.527 93 HD13 LEU 12 3HD1 LEU 12 -0.275 -2.376 0.674 94 HD21 LEU 12 3HD2 LEU 12 -2.487 0.606 1.122 95 HD22 LEU 12 1HD2 LEU 12 -1.370 1.023 -0.200 96 HD23 LEU 12 2HD2 LEU 12 -1.136 1.732 1.400 97 H GLY 13 H GLY 13 1.586 0.228 5.718 98 HA2 GLY 13 1HA GLY 13 1.345 0.289 7.983 99 HA3 GLY 13 2HA GLY 13 -0.269 0.981 7.731 100 H VAL 14 H VAL 14 0.466 -2.191 6.311 101 HA VAL 14 HA VAL 14 -1.013 -3.513 8.513 102 HB VAL 14 HB VAL 14 -1.869 -5.097 6.820 103 HG11 VAL 14 1HG1 VAL 14 -3.723 -3.696 6.047 104 HG12 VAL 14 2HG1 VAL 14 -3.331 -3.388 7.738 105 HG13 VAL 14 3HG1 VAL 14 -2.811 -2.230 6.484 106 HG21 VAL 14 3HG2 VAL 14 -1.999 -4.529 4.472 107 HG22 VAL 14 1HG2 VAL 14 -1.145 -2.995 4.740 108 HG23 VAL 14 2HG2 VAL 14 -0.293 -4.533 4.954 109 H LYS 15 H LYS 15 -0.254 -5.549 9.093 110 HA LYS 15 HA LYS 15 2.523 -6.036 8.739 111 HB2 LYS 15 1HB LYS 15 1.794 -8.487 9.455 112 HB3 LYS 15 2HB LYS 15 1.853 -7.127 10.555 113 HG2 LYS 15 1HG LYS 15 -0.090 -8.455 11.014 114 HG3 LYS 15 2HG LYS 15 -0.557 -6.842 10.511 115 HD2 LYS 15 1HD LYS 15 -0.985 -7.774 8.217 116 HD3 LYS 15 2HD LYS 15 -0.679 -9.395 8.852 117 HE2 LYS 15 1HE LYS 15 -2.843 -7.462 9.812 118 HE3 LYS 15 2HE LYS 15 -3.092 -8.717 8.607 119 HZ1 LYS 15 3HZ LYS 15 -3.813 -9.536 10.612 120 HZ2 LYS 15 1HZ LYS 15 -2.484 -9.118 11.454 121 HZ3 LYS 15 2HZ LYS 15 -2.436 -10.355 10.330 122 HA PRO 16 HA PRO 16 2.540 -7.913 4.689 123 HB2 PRO 16 1HB PRO 16 4.852 -9.443 4.757 124 HB3 PRO 16 2HB PRO 16 4.777 -7.666 4.559 125 HG2 PRO 16 1HG PRO 16 5.225 -9.225 7.101 126 HG3 PRO 16 2HG PRO 16 6.119 -7.785 6.491 127 HD2 PRO 16 1HD PRO 16 4.189 -7.518 8.356 128 HD3 PRO 16 2HD PRO 16 4.381 -6.324 7.049 129 H ASN 17 H ASN 17 1.647 -9.515 7.308 130 HA ASN 17 HA ASN 17 0.987 -12.029 5.849 131 HB2 ASN 17 1HB ASN 17 2.041 -12.156 8.180 132 HB3 ASN 17 2HB ASN 17 0.536 -11.462 8.798 133 HD21 ASN 17 1HD2 ASN 17 1.474 -14.064 6.386 134 HD22 ASN 17 2HD2 ASN 17 0.326 -15.215 7.050 135 H ALA 18 H ALA 18 -0.218 -9.018 5.978 136 HA ALA 18 HA ALA 18 -3.037 -9.506 6.331 137 HB1 ALA 18 1HB ALA 18 -1.484 -7.356 4.836 138 HB2 ALA 18 2HB ALA 18 -3.238 -7.340 5.072 139 HB3 ALA 18 3HB ALA 18 -2.177 -7.240 6.467 140 H THR 19 H THR 19 -4.471 -9.098 4.408 141 HA THR 19 HA THR 19 -3.715 -10.829 2.142 142 HB THR 19 HB THR 19 -6.178 -11.598 2.576 143 HG1 THR 19 1HG THR 19 -5.965 -11.407 5.195 144 HG21 THR 19 3HG2 THR 19 -4.030 -12.981 2.982 145 HG22 THR 19 1HG2 THR 19 -5.332 -13.385 4.097 146 HG23 THR 19 2HG2 THR 19 -4.006 -12.341 4.624 147 H GLN 20 H GLN 20 -5.515 -10.653 0.368 148 HA GLN 20 HA GLN 20 -5.475 -8.001 -0.577 149 HB2 GLN 20 1HB GLN 20 -7.353 -10.221 -1.442 150 HB3 GLN 20 2HB GLN 20 -6.981 -8.766 -2.338 151 HG2 GLN 20 1HG GLN 20 -4.954 -10.936 -1.621 152 HG3 GLN 20 2HG GLN 20 -5.772 -10.759 -3.167 153 HE21 GLN 20 1HE2 GLN 20 -5.473 -8.568 -4.318 154 HE22 GLN 20 2HE2 GLN 20 -3.950 -7.747 -4.061 155 H GLU 21 H GLU 21 -7.944 -9.659 1.386 156 HA GLU 21 HA GLU 21 -10.007 -7.691 1.172 157 HB2 GLU 21 1HB GLU 21 -9.216 -9.510 3.530 158 HB3 GLU 21 2HB GLU 21 -10.645 -8.470 3.396 159 HG2 GLU 21 1HG GLU 21 -11.041 -9.779 1.232 160 HG3 GLU 21 2HG GLU 21 -10.185 -11.088 2.107 161 H GLU 22 H GLU 22 -7.471 -8.221 3.554 162 HA GLU 22 HA GLU 22 -8.081 -6.182 5.364 163 HB2 GLU 22 1HB GLU 22 -5.595 -7.803 4.713 164 HB3 GLU 22 2HB GLU 22 -5.719 -6.759 6.144 165 HG2 GLU 22 1HG GLU 22 -7.551 -9.125 5.453 166 HG3 GLU 22 2HG GLU 22 -6.159 -9.182 6.528 167 H LEU 23 H LEU 23 -5.793 -6.369 2.679 168 HA LEU 23 HA LEU 23 -4.663 -3.779 2.668 169 HB2 LEU 23 1HB LEU 23 -5.338 -5.822 0.521 170 HB3 LEU 23 2HB LEU 23 -4.572 -4.301 0.106 171 HG LEU 23 HG LEU 23 -3.332 -6.136 2.196 172 HD11 LEU 23 1HD1 LEU 23 -1.861 -6.837 0.150 173 HD12 LEU 23 2HD1 LEU 23 -3.228 -6.276 -0.832 174 HD13 LEU 23 3HD1 LEU 23 -3.441 -7.583 0.334 175 HD21 LEU 23 3HD2 LEU 23 -2.545 -3.756 2.027 176 HD22 LEU 23 1HD2 LEU 23 -2.177 -4.049 0.308 177 HD23 LEU 23 2HD2 LEU 23 -1.301 -4.917 1.577 178 H LYS 24 H LYS 24 -7.591 -4.971 0.857 179 HA LYS 24 HA LYS 24 -8.079 -2.423 -0.301 180 HB2 LYS 24 1HB LYS 24 -8.896 -4.549 -1.166 181 HB3 LYS 24 2HB LYS 24 -10.049 -4.712 0.159 182 HG2 LYS 24 1HG LYS 24 -10.111 -2.181 -1.485 183 HG3 LYS 24 2HG LYS 24 -10.619 -3.662 -2.287 184 HD2 LYS 24 1HD LYS 24 -12.444 -4.020 -0.846 185 HD3 LYS 24 2HD LYS 24 -11.827 -2.927 0.394 186 HE2 LYS 24 1HE LYS 24 -13.772 -2.012 -0.882 187 HE3 LYS 24 2HE LYS 24 -12.339 -0.987 -0.888 188 HZ1 LYS 24 3HZ LYS 24 -13.272 -2.649 -3.166 189 HZ2 LYS 24 1HZ LYS 24 -11.868 -1.791 -3.153 190 HZ3 LYS 24 2HZ LYS 24 -13.280 -1.037 -3.021 191 H LYS 25 H LYS 25 -9.261 -3.815 2.765 192 HA LYS 25 HA LYS 25 -10.970 -1.567 3.461 193 HB2 LYS 25 1HB LYS 25 -9.498 -3.592 5.197 194 HB3 LYS 25 2HB LYS 25 -10.611 -2.358 5.799 195 HG2 LYS 25 1HG LYS 25 -12.366 -3.385 4.205 196 HG3 LYS 25 2HG LYS 25 -11.242 -4.749 4.024 197 HD2 LYS 25 1HD LYS 25 -11.230 -4.937 6.554 198 HD3 LYS 25 2HD LYS 25 -12.459 -3.673 6.588 199 HE2 LYS 25 1HE LYS 25 -13.809 -5.268 5.013 200 HE3 LYS 25 2HE LYS 25 -12.644 -6.506 5.512 201 HZ1 LYS 25 3HZ LYS 25 -14.528 -5.022 7.225 202 HZ2 LYS 25 1HZ LYS 25 -13.305 -5.950 7.841 203 HZ3 LYS 25 2HZ LYS 25 -14.475 -6.653 6.929 204 H ALA 26 H ALA 26 -7.538 -2.343 4.283 205 HA ALA 26 HA ALA 26 -7.030 -0.130 5.902 206 HB1 ALA 26 1HB ALA 26 -4.629 -0.599 5.398 207 HB2 ALA 26 2HB ALA 26 -5.539 -2.054 5.832 208 HB3 ALA 26 3HB ALA 26 -5.126 -1.735 4.134 209 H TYR 27 H TYR 27 -6.362 -0.526 2.418 210 HA TYR 27 HA TYR 27 -5.009 1.768 1.820 211 HB2 TYR 27 1HB TYR 27 -5.439 0.033 0.160 212 HB3 TYR 27 2HB TYR 27 -7.164 0.388 0.157 213 HD1 TYR 27 1HD TYR 27 -8.031 2.455 -0.964 214 HD2 TYR 27 2HD TYR 27 -3.833 1.597 -0.785 215 HE1 TYR 27 1HE TYR 27 -7.614 4.274 -2.590 216 HE2 TYR 27 2HE TYR 27 -3.385 3.447 -2.402 217 HH TYR 27 HH TYR 27 -5.948 5.578 -3.664 218 H ARG 28 H ARG 28 -8.609 1.460 1.670 219 HA ARG 28 HA ARG 28 -9.234 4.069 1.079 220 HB2 ARG 28 1HB ARG 28 -10.530 1.632 2.074 221 HB3 ARG 28 2HB ARG 28 -11.178 3.010 2.948 222 HG2 ARG 28 1HG ARG 28 -11.507 4.170 0.749 223 HG3 ARG 28 2HG ARG 28 -10.995 2.692 -0.085 224 HD2 ARG 28 1HD ARG 28 -12.798 1.421 1.001 225 HD3 ARG 28 2HD ARG 28 -13.304 2.868 1.899 226 HE ARG 28 HE ARG 28 -13.350 3.500 -0.867 227 HH11 ARG 28 1HH1 ARG 28 -15.072 1.383 1.457 228 HH12 ARG 28 2HH1 ARG 28 -16.578 1.573 0.589 229 HH21 ARG 28 1HH2 ARG 28 -15.330 3.609 -1.957 230 HH22 ARG 28 2HH2 ARG 28 -16.728 2.796 -1.296 231 H LYS 29 H LYS 29 -8.651 2.708 4.319 232 HA LYS 29 HA LYS 29 -9.512 5.046 5.755 233 HB2 LYS 29 1HB LYS 29 -7.590 2.842 6.646 234 HB3 LYS 29 2HB LYS 29 -8.470 3.959 7.698 235 HG2 LYS 29 1HG LYS 29 -10.606 2.981 7.091 236 HG3 LYS 29 2HG LYS 29 -9.888 2.086 5.767 237 HD2 LYS 29 1HD LYS 29 -10.328 0.512 7.425 238 HD3 LYS 29 2HD LYS 29 -8.571 0.735 7.372 239 HE2 LYS 29 1HE LYS 29 -8.701 2.209 9.361 240 HE3 LYS 29 2HE LYS 29 -10.468 2.119 9.346 241 HZ1 LYS 29 3HZ LYS 29 -10.322 -0.215 9.786 242 HZ2 LYS 29 1HZ LYS 29 -9.489 0.617 10.944 243 HZ3 LYS 29 2HZ LYS 29 -8.672 -0.188 9.743 244 H LEU 30 H LEU 30 -6.309 3.829 4.717 245 HA LEU 30 HA LEU 30 -4.903 6.142 5.717 246 HB2 LEU 30 1HB LEU 30 -4.120 4.034 3.731 247 HB3 LEU 30 2HB LEU 30 -3.038 5.326 4.241 248 HG LEU 30 HG LEU 30 -4.237 3.166 6.029 249 HD11 LEU 30 1HD1 LEU 30 -1.369 3.783 5.204 250 HD12 LEU 30 2HD1 LEU 30 -2.381 2.465 4.579 251 HD13 LEU 30 3HD1 LEU 30 -1.901 2.480 6.286 252 HD21 LEU 30 3HD2 LEU 30 -2.641 4.203 7.770 253 HD22 LEU 30 1HD2 LEU 30 -4.148 5.059 7.453 254 HD23 LEU 30 2HD2 LEU 30 -2.633 5.651 6.732 255 H ALA 31 H ALA 31 -6.264 5.426 2.484 256 HA ALA 31 HA ALA 31 -5.244 7.710 1.157 257 HB1 ALA 31 1HB ALA 31 -7.172 7.371 -0.370 258 HB2 ALA 31 2HB ALA 31 -6.353 5.841 -0.010 259 HB3 ALA 31 3HB ALA 31 -7.899 6.239 0.780 260 H LEU 32 H LEU 32 -8.203 7.290 3.164 261 HA LEU 32 HA LEU 32 -8.971 10.069 2.950 262 HB2 LEU 32 1HB LEU 32 -9.746 7.853 4.892 263 HB3 LEU 32 2HB LEU 32 -10.478 9.449 4.848 264 HG LEU 32 HG LEU 32 -10.577 7.465 2.548 265 HD11 LEU 32 1HD1 LEU 32 -11.920 6.776 4.520 266 HD12 LEU 32 2HD1 LEU 32 -12.935 7.208 3.130 267 HD13 LEU 32 3HD1 LEU 32 -12.757 8.347 4.481 268 HD21 LEU 32 3HD2 LEU 32 -10.679 9.720 1.655 269 HD22 LEU 32 1HD2 LEU 32 -11.888 10.192 2.875 270 HD23 LEU 32 2HD2 LEU 32 -12.281 8.997 1.625 271 H LYS 33 H LYS 33 -6.887 8.259 5.242 272 HA LYS 33 HA LYS 33 -6.624 10.361 7.145 273 HB2 LYS 33 1HB LYS 33 -5.830 7.988 7.500 274 HB3 LYS 33 2HB LYS 33 -4.483 8.312 6.416 275 HG2 LYS 33 1HG LYS 33 -3.761 10.200 7.833 276 HG3 LYS 33 2HG LYS 33 -5.087 9.777 8.909 277 HD2 LYS 33 1HD LYS 33 -2.675 8.030 8.293 278 HD3 LYS 33 2HD LYS 33 -2.897 9.044 9.722 279 HE2 LYS 33 1HE LYS 33 -5.109 7.642 10.032 280 HE3 LYS 33 2HE LYS 33 -4.298 6.463 8.994 281 HZ1 LYS 33 3HZ LYS 33 -3.354 7.535 11.579 282 HZ2 LYS 33 1HZ LYS 33 -2.423 6.565 10.635 283 HZ3 LYS 33 2HZ LYS 33 -3.801 5.981 11.292 284 H TYR 34 H TYR 34 -4.538 9.497 4.342 285 HA TYR 34 HA TYR 34 -3.022 11.976 4.639 286 HB2 TYR 34 1HB TYR 34 -2.737 9.632 2.746 287 HB3 TYR 34 2HB TYR 34 -1.542 10.888 3.020 288 HD1 TYR 34 1HD TYR 34 -1.119 11.178 5.846 289 HD2 TYR 34 2HD TYR 34 -2.172 7.560 3.752 290 HE1 TYR 34 1HE TYR 34 0.060 9.862 7.523 291 HE2 TYR 34 2HE TYR 34 -0.920 6.238 5.306 292 HH TYR 34 HH TYR 34 0.346 6.240 7.360 293 H HIS 35 H HIS 35 -5.972 11.715 3.290 294 HA HIS 35 HA HIS 35 -5.617 12.398 0.601 295 HB2 HIS 35 1HB HIS 35 -7.783 11.964 2.220 296 HB3 HIS 35 2HB HIS 35 -7.877 13.704 2.122 297 HD1 HIS 35 1HD HIS 35 -8.834 14.708 -0.210 298 HD2 HIS 35 2HD HIS 35 -8.168 10.545 -0.034 299 HE1 HIS 35 1HE HIS 35 -9.957 13.735 -2.233 300 HA PRO 36 HA PRO 36 -3.755 16.321 1.083 301 HB2 PRO 36 1HB PRO 36 -4.207 17.606 -1.313 302 HB3 PRO 36 2HB PRO 36 -3.110 16.206 -1.124 303 HG2 PRO 36 1HG PRO 36 -6.002 16.212 -2.051 304 HG3 PRO 36 2HG PRO 36 -4.592 15.379 -2.798 305 HD2 PRO 36 1HD PRO 36 -6.315 14.076 -1.161 306 HD3 PRO 36 2HD PRO 36 -4.572 13.727 -1.110 307 H ASP 37 H ASP 37 -7.108 16.330 0.154 308 HA ASP 37 HA ASP 37 -7.947 18.909 0.276 309 HB2 ASP 37 1HB ASP 37 -9.317 16.838 -0.211 310 HB3 ASP 37 2HB ASP 37 -9.459 16.574 1.524 311 H LYS 38 H LYS 38 -7.537 16.808 3.169 312 HA LYS 38 HA LYS 38 -7.508 19.234 4.880 313 HB2 LYS 38 1HB LYS 38 -8.853 16.567 5.536 314 HB3 LYS 38 2HB LYS 38 -8.649 17.953 6.608 315 HG2 LYS 38 1HG LYS 38 -9.918 19.269 4.728 316 HG3 LYS 38 2HG LYS 38 -10.459 17.653 4.227 317 HD2 LYS 38 1HD LYS 38 -11.443 17.278 6.459 318 HD3 LYS 38 2HD LYS 38 -10.730 18.794 7.031 319 HE2 LYS 38 1HE LYS 38 -12.048 19.826 4.975 320 HE3 LYS 38 2HE LYS 38 -13.069 18.399 5.198 321 HZ1 LYS 38 3HZ LYS 38 -13.948 20.092 6.510 322 HZ2 LYS 38 1HZ LYS 38 -12.499 20.576 7.116 323 HZ3 LYS 38 2HZ LYS 38 -13.179 19.153 7.609 324 H ASN 39 H ASN 39 -5.362 17.455 3.599 325 HA ASN 39 HA ASN 39 -3.684 17.350 5.932 326 HB2 ASN 39 1HB ASN 39 -4.960 15.135 6.008 327 HB3 ASN 39 2HB ASN 39 -4.049 14.658 4.563 328 HD21 ASN 39 1HD2 ASN 39 -3.736 13.053 6.626 329 HD22 ASN 39 2HD2 ASN 39 -2.210 13.288 7.456 330 HA PRO 40 HA PRO 40 -2.398 18.157 1.474 331 HB2 PRO 40 1HB PRO 40 -1.192 20.630 1.787 332 HB3 PRO 40 2HB PRO 40 -2.960 20.393 1.557 333 HG2 PRO 40 1HG PRO 40 -1.434 20.735 4.160 334 HG3 PRO 40 2HG PRO 40 -2.909 21.591 3.621 335 HD2 PRO 40 1HD PRO 40 -3.101 19.463 5.266 336 HD3 PRO 40 2HD PRO 40 -4.247 19.632 3.902 337 H ASN 41 H ASN 41 -0.479 18.588 4.415 338 HA ASN 41 HA ASN 41 2.094 18.547 3.166 339 HB2 ASN 41 1HB ASN 41 1.041 18.874 5.819 340 HB3 ASN 41 2HB ASN 41 2.174 17.520 5.890 341 HD21 ASN 41 1HD2 ASN 41 1.990 20.954 6.028 342 HD22 ASN 41 2HD2 ASN 41 3.658 21.239 5.552 343 H GLU 42 H GLU 42 -0.176 15.995 3.914 344 HA GLU 42 HA GLU 42 1.892 13.905 3.613 345 HB2 GLU 42 1HB GLU 42 -0.998 13.677 4.429 346 HB3 GLU 42 2HB GLU 42 0.193 12.378 4.401 347 HG2 GLU 42 1HG GLU 42 0.468 14.858 6.162 348 HG3 GLU 42 2HG GLU 42 -0.307 13.359 6.669 349 H GLY 43 H GLY 43 0.174 15.785 1.544 350 HA2 GLY 43 1HA GLY 43 -1.174 14.039 -0.160 351 HA3 GLY 43 2HA GLY 43 -0.460 15.589 -0.629 352 H GLU 44 H GLU 44 2.370 14.631 -0.005 353 HA GLU 44 HA GLU 44 2.863 13.214 -2.536 354 HB2 GLU 44 1HB GLU 44 4.729 14.069 -0.279 355 HB3 GLU 44 2HB GLU 44 5.251 13.115 -1.683 356 HG2 GLU 44 1HG GLU 44 4.260 14.864 -3.177 357 HG3 GLU 44 2HG GLU 44 3.979 15.862 -1.750 358 H LYS 45 H LYS 45 2.523 12.367 0.877 359 HA LYS 45 HA LYS 45 3.698 9.762 0.723 360 HB2 LYS 45 1HB LYS 45 2.892 11.279 2.769 361 HB3 LYS 45 2HB LYS 45 1.381 10.384 2.566 362 HG2 LYS 45 1HG LYS 45 2.839 8.240 2.658 363 HG3 LYS 45 2HG LYS 45 4.155 9.291 3.191 364 HD2 LYS 45 1HD LYS 45 1.470 8.804 4.521 365 HD3 LYS 45 2HD LYS 45 3.047 8.331 5.149 366 HE2 LYS 45 1HE LYS 45 1.879 11.115 4.907 367 HE3 LYS 45 2HE LYS 45 2.223 10.232 6.388 368 HZ1 LYS 45 3HZ LYS 45 4.553 10.486 5.986 369 HZ2 LYS 45 1HZ LYS 45 3.796 11.943 5.903 370 HZ3 LYS 45 2HZ LYS 45 4.285 11.245 4.519 371 H PHE 46 H PHE 46 0.578 11.030 -0.253 372 HA PHE 46 HA PHE 46 -0.997 8.736 -0.438 373 HB2 PHE 46 1HB PHE 46 -1.293 11.314 -1.158 374 HB3 PHE 46 2HB PHE 46 -1.088 10.622 -2.745 375 HD1 PHE 46 1HD PHE 46 -2.578 7.936 -2.402 376 HD2 PHE 46 2HD PHE 46 -3.506 11.946 -1.119 377 HE1 PHE 46 1HE PHE 46 -4.946 7.372 -2.384 378 HE2 PHE 46 2HE PHE 46 -5.938 11.396 -1.259 379 HZ PHE 46 HZ PHE 46 -6.661 9.102 -1.839 380 H LYS 47 H LYS 47 1.574 9.880 -2.670 381 HA LYS 47 HA LYS 47 0.997 8.000 -4.733 382 HB2 LYS 47 1HB LYS 47 2.023 9.960 -5.405 383 HB3 LYS 47 2HB LYS 47 3.141 9.995 -4.053 384 HG2 LYS 47 1HG LYS 47 4.445 8.263 -4.914 385 HG3 LYS 47 2HG LYS 47 3.386 8.043 -6.345 386 HD2 LYS 47 1HD LYS 47 3.945 10.377 -7.031 387 HD3 LYS 47 2HD LYS 47 4.992 10.541 -5.614 388 HE2 LYS 47 1HE LYS 47 5.356 8.619 -7.951 389 HE3 LYS 47 2HE LYS 47 6.326 10.053 -7.598 390 HZ1 LYS 47 3HZ LYS 47 6.207 7.569 -5.985 391 HZ2 LYS 47 1HZ LYS 47 6.991 8.934 -5.513 392 HZ3 LYS 47 2HZ LYS 47 7.481 8.128 -6.854 393 H GLN 48 H GLN 48 2.775 7.553 -1.703 394 HA GLN 48 HA GLN 48 4.098 5.089 -2.625 395 HB2 GLN 48 1HB GLN 48 3.544 6.415 0.074 396 HB3 GLN 48 2HB GLN 48 4.230 4.819 -0.043 397 HG2 GLN 48 1HG GLN 48 5.595 7.024 -1.560 398 HG3 GLN 48 2HG GLN 48 5.733 7.009 0.188 399 HE21 GLN 48 1HE2 GLN 48 7.150 5.600 1.150 400 HE22 GLN 48 2HE2 GLN 48 8.097 4.385 0.305 401 H ILE 49 H ILE 49 0.975 6.081 -1.215 402 HA ILE 49 HA ILE 49 0.209 3.482 -0.240 403 HB ILE 49 HB ILE 49 -1.797 5.566 -1.157 404 HG12 ILE 49 1HG1 ILE 49 -0.330 5.718 1.502 405 HG13 ILE 49 2HG1 ILE 49 -0.209 6.835 0.171 406 HG21 ILE 49 1HG2 ILE 49 -1.948 3.863 1.345 407 HG22 ILE 49 2HG2 ILE 49 -3.267 4.586 0.391 408 HG23 ILE 49 3HG2 ILE 49 -2.368 3.200 -0.241 409 HD11 ILE 49 3HD1 ILE 49 -1.719 7.854 1.637 410 HD12 ILE 49 1HD1 ILE 49 -2.762 7.155 0.372 411 HD13 ILE 49 2HD1 ILE 49 -2.595 6.338 1.951 412 H SER 50 H SER 50 -0.563 5.401 -3.243 413 HA SER 50 HA SER 50 -2.161 3.388 -4.444 414 HB2 SER 50 1HB SER 50 -1.615 4.759 -6.535 415 HB3 SER 50 2HB SER 50 -2.422 5.598 -5.196 416 HG SER 50 HG SER 50 -0.658 6.735 -6.117 417 H GLN 51 H GLN 51 1.303 4.257 -4.973 418 HA GLN 51 HA GLN 51 1.904 2.234 -6.792 419 HB2 GLN 51 1HB GLN 51 3.384 4.104 -6.182 420 HB3 GLN 51 2HB GLN 51 3.720 3.358 -4.608 421 HG2 GLN 51 1HG GLN 51 5.236 1.922 -5.458 422 HG3 GLN 51 2HG GLN 51 4.222 1.535 -6.833 423 HE21 GLN 51 1HE2 GLN 51 4.774 2.365 -8.832 424 HE22 GLN 51 2HE2 GLN 51 5.954 3.636 -9.099 425 H ALA 52 H ALA 52 1.817 1.967 -3.207 426 HA ALA 52 HA ALA 52 2.832 -0.744 -3.205 427 HB1 ALA 52 1HB ALA 52 3.027 0.554 -1.126 428 HB2 ALA 52 2HB ALA 52 1.290 0.916 -1.138 429 HB3 ALA 52 3HB ALA 52 1.854 -0.725 -0.829 430 H TYR 53 H TYR 53 -0.427 0.683 -3.033 431 HA TYR 53 HA TYR 53 -1.746 -1.833 -2.805 432 HB2 TYR 53 1HB TYR 53 -2.652 0.381 -2.159 433 HB3 TYR 53 2HB TYR 53 -2.791 0.819 -3.861 434 HD1 TYR 53 2HD TYR 53 -3.883 -1.769 -1.347 435 HD2 TYR 53 1HD TYR 53 -4.771 0.252 -5.055 436 HE1 TYR 53 2HE TYR 53 -6.067 -2.937 -1.457 437 HE2 TYR 53 1HE TYR 53 -6.937 -0.886 -5.171 438 HH TYR 53 HH TYR 53 -8.233 -2.613 -4.291 439 H GLU 54 H GLU 54 -0.417 -0.120 -5.590 440 HA GLU 54 HA GLU 54 -2.135 -1.223 -7.572 441 HB2 GLU 54 1HB GLU 54 -0.669 0.777 -7.881 442 HB3 GLU 54 2HB GLU 54 0.751 -0.255 -7.797 443 HG2 GLU 54 1HG GLU 54 0.328 0.239 -10.081 444 HG3 GLU 54 2HG GLU 54 -0.053 -1.461 -9.855 445 H VAL 55 H VAL 55 1.140 -2.240 -6.487 446 HA VAL 55 HA VAL 55 1.301 -4.617 -8.029 447 HB VAL 55 HB VAL 55 2.527 -3.996 -5.307 448 HG11 VAL 55 1HG1 VAL 55 2.766 -6.375 -5.838 449 HG12 VAL 55 2HG1 VAL 55 3.346 -5.992 -7.474 450 HG13 VAL 55 3HG1 VAL 55 4.320 -5.580 -6.053 451 HG21 VAL 55 3HG2 VAL 55 4.533 -3.305 -6.661 452 HG22 VAL 55 1HG2 VAL 55 3.567 -3.471 -8.129 453 HG23 VAL 55 2HG2 VAL 55 3.155 -2.245 -6.907 454 H LEU 56 H LEU 56 -0.474 -3.839 -5.146 455 HA LEU 56 HA LEU 56 -1.123 -6.667 -4.561 456 HB2 LEU 56 1HB LEU 56 -1.401 -4.129 -2.913 457 HB3 LEU 56 2HB LEU 56 -1.813 -5.749 -2.373 458 HG LEU 56 HG LEU 56 1.003 -4.887 -3.164 459 HD11 LEU 56 1HD1 LEU 56 0.266 -3.763 -1.118 460 HD12 LEU 56 2HD1 LEU 56 1.497 -4.982 -0.761 461 HD13 LEU 56 3HD1 LEU 56 -0.193 -5.331 -0.411 462 HD21 LEU 56 3HD2 LEU 56 0.745 -7.267 -3.499 463 HD22 LEU 56 1HD2 LEU 56 -0.064 -7.455 -1.917 464 HD23 LEU 56 2HD2 LEU 56 1.646 -6.996 -2.009 465 H SER 57 H SER 57 -2.416 -4.622 -6.667 466 HA SER 57 HA SER 57 -5.218 -5.276 -5.893 467 HB2 SER 57 1HB SER 57 -4.697 -2.863 -5.771 468 HB3 SER 57 2HB SER 57 -4.276 -2.882 -7.499 469 HG SER 57 HG SER 57 -6.397 -3.662 -7.870 470 H ASP 58 H ASP 58 -2.925 -6.562 -7.775 471 HA ASP 58 HA ASP 58 -5.067 -7.536 -9.547 472 HB2 ASP 58 1HB ASP 58 -3.371 -6.009 -10.820 473 HB3 ASP 58 2HB ASP 58 -2.214 -7.272 -10.512 474 H ALA 59 H ALA 59 -4.887 -9.768 -9.896 475 HA ALA 59 HA ALA 59 -3.395 -11.209 -7.866 476 HB1 ALA 59 1HB ALA 59 -5.559 -12.029 -8.649 477 HB2 ALA 59 2HB ALA 59 -4.886 -12.226 -10.296 478 HB3 ALA 59 3HB ALA 59 -4.274 -13.206 -8.958 479 H LYS 60 H LYS 60 -2.867 -10.705 -11.489 480 HA LYS 60 HA LYS 60 -0.557 -12.402 -11.424 481 HB2 LYS 60 1HB LYS 60 -2.009 -11.913 -13.413 482 HB3 LYS 60 2HB LYS 60 -1.248 -10.325 -13.477 483 HG2 LYS 60 1HG LYS 60 0.933 -12.142 -13.257 484 HG3 LYS 60 2HG LYS 60 -0.244 -13.002 -14.227 485 HD2 LYS 60 1HD LYS 60 -0.318 -11.089 -15.819 486 HD3 LYS 60 2HD LYS 60 0.722 -10.171 -14.723 487 HE2 LYS 60 1HE LYS 60 2.113 -10.933 -16.506 488 HE3 LYS 60 2HE LYS 60 2.551 -11.808 -15.038 489 HZ1 LYS 60 3HZ LYS 60 2.393 -13.282 -16.978 490 HZ2 LYS 60 1HZ LYS 60 0.816 -12.891 -17.182 491 HZ3 LYS 60 2HZ LYS 60 1.316 -13.695 -15.838 492 H LYS 61 H LYS 61 -0.951 -8.806 -11.033 493 HA LYS 61 HA LYS 61 1.894 -8.347 -10.868 494 HB2 LYS 61 1HB LYS 61 -0.347 -6.904 -9.358 495 HB3 LYS 61 2HB LYS 61 1.346 -6.491 -9.278 496 HG2 LYS 61 1HG LYS 61 0.822 -6.574 -12.050 497 HG3 LYS 61 2HG LYS 61 -0.616 -5.852 -11.353 498 HD2 LYS 61 1HD LYS 61 0.895 -4.076 -11.935 499 HD3 LYS 61 2HD LYS 61 0.776 -4.144 -10.182 500 HE2 LYS 61 1HE LYS 61 2.950 -5.288 -10.031 501 HE3 LYS 61 2HE LYS 61 3.022 -5.452 -11.793 502 HZ1 LYS 61 3HZ LYS 61 3.281 -3.127 -12.012 503 HZ2 LYS 61 1HZ LYS 61 4.375 -3.601 -10.880 504 HZ3 LYS 61 2HZ LYS 61 3.020 -2.836 -10.415 505 H ARG 62 H ARG 62 -0.523 -9.098 -8.288 506 HA ARG 62 HA ARG 62 1.470 -9.425 -6.375 507 HB2 ARG 62 1HB ARG 62 -1.046 -9.365 -5.947 508 HB3 ARG 62 2HB ARG 62 -1.011 -11.133 -6.170 509 HG2 ARG 62 1HG ARG 62 0.837 -11.219 -4.411 510 HG3 ARG 62 2HG ARG 62 0.671 -9.477 -4.225 511 HD2 ARG 62 1HD ARG 62 -0.826 -9.827 -2.639 512 HD3 ARG 62 2HD ARG 62 -1.929 -10.459 -3.861 513 HE ARG 62 HE ARG 62 0.070 -12.129 -2.337 514 HH11 ARG 62 1HH1 ARG 62 -3.194 -11.894 -3.809 515 HH12 ARG 62 2HH1 ARG 62 -3.668 -13.416 -3.156 516 HH21 ARG 62 1HH2 ARG 62 -0.563 -14.119 -1.649 517 HH22 ARG 62 2HH2 ARG 62 -2.184 -14.714 -1.874 518 H GLU 63 H GLU 63 0.465 -11.844 -8.786 519 HA GLU 63 HA GLU 63 1.458 -14.144 -7.717 520 HB2 GLU 63 1HB GLU 63 0.230 -13.970 -9.888 521 HB3 GLU 63 2HB GLU 63 1.705 -13.355 -10.649 522 HG2 GLU 63 1HG GLU 63 2.848 -15.517 -9.997 523 HG3 GLU 63 2HG GLU 63 1.286 -16.106 -9.432 524 H LEU 64 H LEU 64 3.314 -11.706 -9.543 525 HA LEU 64 HA LEU 64 5.842 -13.144 -9.209 526 HB2 LEU 64 1HB LEU 64 5.072 -10.415 -10.320 527 HB3 LEU 64 2HB LEU 64 6.750 -10.802 -10.002 528 HG LEU 64 HG LEU 64 6.134 -11.153 -12.351 529 HD11 LEU 64 1HD1 LEU 64 6.895 -13.785 -10.998 530 HD12 LEU 64 2HD1 LEU 64 8.007 -12.427 -11.279 531 HD13 LEU 64 3HD1 LEU 64 7.267 -13.269 -12.646 532 HD21 LEU 64 3HD2 LEU 64 4.473 -13.512 -11.398 533 HD22 LEU 64 1HD2 LEU 64 4.727 -12.971 -13.071 534 HD23 LEU 64 2HD2 LEU 64 3.804 -11.953 -11.947 535 H TYR 65 H TYR 65 4.255 -10.333 -7.689 536 HA TYR 65 HA TYR 65 6.385 -9.469 -6.094 537 HB2 TYR 65 1HB TYR 65 4.500 -8.106 -6.351 538 HB3 TYR 65 2HB TYR 65 3.409 -9.377 -5.818 539 HD1 TYR 65 1HD TYR 65 6.059 -7.047 -4.609 540 HD2 TYR 65 2HD TYR 65 2.903 -9.796 -3.545 541 HE1 TYR 65 1HE TYR 65 6.197 -6.301 -2.276 542 HE2 TYR 65 2HE TYR 65 3.038 -9.049 -1.197 543 HH TYR 65 HH TYR 65 5.542 -6.762 -0.121 544 H ASP 66 H ASP 66 4.036 -11.994 -5.463 545 HA ASP 66 HA ASP 66 4.500 -12.681 -2.819 546 HB2 ASP 66 1HB ASP 66 2.788 -13.502 -4.435 547 HB3 ASP 66 2HB ASP 66 4.048 -14.406 -5.256 548 H LYS 67 H LYS 67 6.429 -13.381 -5.624 549 HA LYS 67 HA LYS 67 8.443 -14.977 -4.076 550 HB2 LYS 67 1HB LYS 67 8.336 -16.697 -5.887 551 HB3 LYS 67 2HB LYS 67 6.899 -16.599 -4.894 552 HG2 LYS 67 1HG LYS 67 5.553 -15.913 -6.565 553 HG3 LYS 67 2HG LYS 67 6.757 -14.865 -7.316 554 HD2 LYS 67 1HD LYS 67 6.806 -17.889 -7.563 555 HD3 LYS 67 2HD LYS 67 5.998 -16.794 -8.702 556 HE2 LYS 67 1HE LYS 67 8.174 -15.577 -9.023 557 HE3 LYS 67 2HE LYS 67 8.978 -16.777 -8.007 558 HZ1 LYS 67 3HZ LYS 67 7.552 -17.355 -10.538 559 HZ2 LYS 67 1HZ LYS 67 8.358 -18.459 -9.639 560 HZ3 LYS 67 2HZ LYS 67 9.168 -17.199 -10.391 561 H GLY 68 H GLY 68 8.559 -12.207 -5.442 562 HA2 GLY 68 1HA GLY 68 11.087 -12.545 -6.835 563 HA3 GLY 68 2HA GLY 68 9.728 -12.402 -7.955 564 H GLY 69 H GLY 69 8.137 -10.452 -7.121 565 HA2 GLY 69 1HA GLY 69 7.789 -8.266 -6.449 566 HA3 GLY 69 2HA GLY 69 9.318 -8.342 -5.586 567 H GLU 70 H GLU 70 10.762 -8.888 -8.204 568 HA GLU 70 HA GLU 70 10.607 -6.317 -9.549 569 HB2 GLU 70 1HB GLU 70 11.712 -6.248 -7.179 570 HB3 GLU 70 2HB GLU 70 13.060 -7.103 -7.911 571 HG2 GLU 70 1HG GLU 70 13.315 -4.592 -7.783 572 HG3 GLU 70 2HG GLU 70 13.528 -5.259 -9.394 573 H GLN 71 H GLN 71 10.354 -9.119 -10.132 574 HA GLN 71 HA GLN 71 10.584 -10.445 -11.923 575 HB2 GLN 71 1HB GLN 71 12.874 -8.776 -12.938 576 HB3 GLN 71 2HB GLN 71 11.815 -9.777 -13.881 577 HG2 GLN 71 1HG GLN 71 10.134 -8.255 -14.021 578 HG3 GLN 71 2HG GLN 71 10.439 -7.528 -12.454 579 HE21 GLN 71 1HE2 GLN 71 13.080 -6.728 -12.571 580 HE22 GLN 71 2HE2 GLN 71 13.278 -5.536 -13.861 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.266 5.508 10.869 2 HA2 GLY 1 1HA GLY 1 11.743 6.824 11.847 3 HA3 GLY 1 2HA GLY 1 11.523 5.061 11.721 4 H MET 2 H MET 2 13.584 5.453 10.347 5 HA MET 2 HA MET 2 12.930 6.534 7.647 6 HB2 MET 2 1HB MET 2 15.639 6.275 9.000 7 HB3 MET 2 2HB MET 2 15.300 7.003 7.418 8 HG2 MET 2 1HG MET 2 13.651 8.531 8.628 9 HG3 MET 2 2HG MET 2 14.358 7.980 10.136 10 HE1 MET 2 3HE MET 2 16.340 8.935 11.233 11 HE2 MET 2 1HE MET 2 17.338 8.004 10.090 12 HE3 MET 2 2HE MET 2 17.701 9.714 10.409 13 H VAL 3 H VAL 3 12.578 3.646 8.696 14 HA VAL 3 HA VAL 3 14.434 2.079 7.093 15 HB VAL 3 HB VAL 3 11.935 1.191 8.612 16 HG11 VAL 3 1HG1 VAL 3 13.080 -0.973 8.751 17 HG12 VAL 3 2HG1 VAL 3 12.858 -0.503 7.065 18 HG13 VAL 3 3HG1 VAL 3 14.458 -0.340 7.819 19 HG21 VAL 3 3HG2 VAL 3 14.779 1.603 9.578 20 HG22 VAL 3 1HG2 VAL 3 13.293 2.326 10.235 21 HG23 VAL 3 2HG2 VAL 3 13.586 0.599 10.439 22 H LYS 4 H LYS 4 13.881 3.211 5.001 23 HA LYS 4 HA LYS 4 11.294 2.309 3.800 24 HB2 LYS 4 1HB LYS 4 13.408 4.097 2.543 25 HB3 LYS 4 2HB LYS 4 11.905 3.563 1.817 26 HG2 LYS 4 1HG LYS 4 11.395 5.669 2.433 27 HG3 LYS 4 2HG LYS 4 10.686 4.755 3.753 28 HD2 LYS 4 1HD LYS 4 12.341 5.423 5.281 29 HD3 LYS 4 2HD LYS 4 13.527 5.803 4.027 30 HE2 LYS 4 1HE LYS 4 11.075 7.442 4.767 31 HE3 LYS 4 2HE LYS 4 12.773 7.825 5.090 32 HZ1 LYS 4 3HZ LYS 4 13.034 7.836 2.587 33 HZ2 LYS 4 1HZ LYS 4 12.134 9.060 3.187 34 HZ3 LYS 4 2HZ LYS 4 11.383 7.810 2.502 35 H GLU 5 H GLU 5 12.421 0.125 4.407 36 HA GLU 5 HA GLU 5 13.339 -0.988 1.846 37 HB2 GLU 5 1HB GLU 5 15.066 -2.415 2.958 38 HB3 GLU 5 2HB GLU 5 15.491 -0.717 3.047 39 HG2 GLU 5 1HG GLU 5 15.275 -0.645 5.346 40 HG3 GLU 5 2HG GLU 5 13.833 -1.635 5.350 41 H THR 6 H THR 6 10.939 -0.859 3.351 42 HA THR 6 HA THR 6 10.581 -3.699 4.199 43 HB THR 6 HB THR 6 8.866 -1.433 5.216 44 HG1 THR 6 1HG THR 6 11.351 -2.286 6.322 45 HG21 THR 6 3HG2 THR 6 9.857 -4.026 6.502 46 HG22 THR 6 1HG2 THR 6 8.299 -3.855 5.686 47 HG23 THR 6 2HG2 THR 6 8.662 -2.908 7.157 48 H THR 7 H THR 7 8.939 -4.828 3.322 49 HA THR 7 HA THR 7 8.179 -4.129 0.784 50 HB THR 7 HB THR 7 8.351 -6.375 1.856 51 HG1 THR 7 1HG THR 7 7.346 -7.253 0.375 52 HG21 THR 7 3HG2 THR 7 6.713 -5.992 3.754 53 HG22 THR 7 1HG2 THR 7 6.380 -7.449 2.799 54 HG23 THR 7 2HG2 THR 7 5.416 -5.984 2.535 55 H TYR 8 H TYR 8 5.995 -4.400 0.057 56 HA TYR 8 HA TYR 8 4.757 -1.856 0.292 57 HB2 TYR 8 1HB TYR 8 3.803 -4.473 -0.933 58 HB3 TYR 8 2HB TYR 8 2.932 -2.968 -1.177 59 HD1 TYR 8 2HD TYR 8 5.082 -0.946 -1.586 60 HD2 TYR 8 1HD TYR 8 4.875 -5.051 -2.883 61 HE1 TYR 8 2HE TYR 8 6.628 -0.423 -3.433 62 HE2 TYR 8 1HE TYR 8 6.420 -4.546 -4.740 63 HH TYR 8 HH TYR 8 8.317 -2.579 -5.215 64 H TYR 9 H TYR 9 3.853 -4.841 1.911 65 HA TYR 9 HA TYR 9 1.390 -3.971 3.007 66 HB2 TYR 9 1HB TYR 9 3.549 -5.841 4.038 67 HB3 TYR 9 2HB TYR 9 1.949 -5.729 4.727 68 HD1 TYR 9 2HD TYR 9 0.062 -5.659 2.487 69 HD2 TYR 9 1HD TYR 9 3.822 -7.788 2.687 70 HE1 TYR 9 2HE TYR 9 -0.913 -7.485 1.239 71 HE2 TYR 9 1HE TYR 9 2.919 -9.510 1.259 72 HH TYR 9 HH TYR 9 0.980 -10.463 0.456 73 H ASP 10 H ASP 10 4.765 -3.493 4.260 74 HA ASP 10 HA ASP 10 3.801 -2.444 6.782 75 HB2 ASP 10 1HB ASP 10 6.198 -3.289 6.010 76 HB3 ASP 10 2HB ASP 10 6.476 -1.602 5.666 77 H VAL 11 H VAL 11 4.682 -1.131 3.599 78 HA VAL 11 HA VAL 11 4.577 1.571 4.293 79 HB VAL 11 HB VAL 11 4.004 0.159 1.660 80 HG11 VAL 11 1HG1 VAL 11 4.226 2.367 0.514 81 HG12 VAL 11 2HG1 VAL 11 2.757 2.219 1.473 82 HG13 VAL 11 3HG1 VAL 11 4.137 3.170 2.098 83 HG21 VAL 11 3HG2 VAL 11 6.393 1.827 2.555 84 HG22 VAL 11 1HG2 VAL 11 6.345 0.065 2.422 85 HG23 VAL 11 2HG2 VAL 11 6.189 1.044 0.973 86 H LEU 12 H LEU 12 2.033 -0.699 3.258 87 HA LEU 12 HA LEU 12 -0.067 1.256 3.592 88 HB2 LEU 12 1HB LEU 12 -0.057 -1.731 3.035 89 HB3 LEU 12 2HB LEU 12 -1.541 -0.758 3.058 90 HG LEU 12 HG LEU 12 0.806 -0.095 1.212 91 HD11 LEU 12 1HD1 LEU 12 -0.307 -1.327 -0.529 92 HD12 LEU 12 2HD1 LEU 12 -1.644 -1.770 0.547 93 HD13 LEU 12 3HD1 LEU 12 0.007 -2.414 0.807 94 HD21 LEU 12 3HD2 LEU 12 -0.904 1.094 -0.083 95 HD22 LEU 12 1HD2 LEU 12 -0.794 1.726 1.566 96 HD23 LEU 12 2HD2 LEU 12 -2.147 0.656 1.121 97 H GLY 13 H GLY 13 1.678 0.098 6.020 98 HA2 GLY 13 1HA GLY 13 1.204 0.227 8.268 99 HA3 GLY 13 2HA GLY 13 -0.453 0.637 7.874 100 H VAL 14 H VAL 14 0.722 -2.371 6.486 101 HA VAL 14 HA VAL 14 -0.896 -3.869 8.489 102 HB VAL 14 HB VAL 14 -1.689 -5.277 6.618 103 HG11 VAL 14 1HG1 VAL 14 -2.414 -2.355 6.203 104 HG12 VAL 14 2HG1 VAL 14 -3.435 -3.782 5.947 105 HG13 VAL 14 3HG1 VAL 14 -2.948 -3.305 7.584 106 HG21 VAL 14 3HG2 VAL 14 -1.567 -4.389 4.253 107 HG22 VAL 14 1HG2 VAL 14 -0.495 -3.137 4.816 108 HG23 VAL 14 2HG2 VAL 14 -0.001 -4.828 4.896 109 H LYS 15 H LYS 15 -0.354 -6.182 8.627 110 HA LYS 15 HA LYS 15 2.466 -6.425 8.883 111 HB2 LYS 15 1HB LYS 15 2.112 -8.510 9.859 112 HB3 LYS 15 2HB LYS 15 0.794 -7.491 10.419 113 HG2 LYS 15 1HG LYS 15 0.574 -9.502 8.189 114 HG3 LYS 15 2HG LYS 15 0.216 -9.873 9.848 115 HD2 LYS 15 1HD LYS 15 -1.252 -7.760 8.233 116 HD3 LYS 15 2HD LYS 15 -1.692 -9.457 8.260 117 HE2 LYS 15 1HE LYS 15 -3.011 -9.017 9.998 118 HE3 LYS 15 2HE LYS 15 -1.531 -8.954 10.978 119 HZ1 LYS 15 3HZ LYS 15 -2.944 -6.662 9.725 120 HZ2 LYS 15 1HZ LYS 15 -1.536 -6.526 10.656 121 HZ3 LYS 15 2HZ LYS 15 -2.905 -7.059 11.302 122 HA PRO 16 HA PRO 16 3.378 -7.973 4.835 123 HB2 PRO 16 1HB PRO 16 5.445 -9.750 5.249 124 HB3 PRO 16 2HB PRO 16 5.588 -7.967 5.277 125 HG2 PRO 16 1HG PRO 16 5.224 -9.861 7.627 126 HG3 PRO 16 2HG PRO 16 6.375 -8.478 7.461 127 HD2 PRO 16 1HD PRO 16 4.053 -8.220 8.810 128 HD3 PRO 16 2HD PRO 16 4.679 -6.880 7.782 129 H ASN 17 H ASN 17 1.785 -9.804 6.998 130 HA ASN 17 HA ASN 17 1.637 -12.287 5.367 131 HB2 ASN 17 1HB ASN 17 2.539 -12.213 7.858 132 HB3 ASN 17 2HB ASN 17 0.839 -12.042 8.284 133 HD21 ASN 17 1HD2 ASN 17 -0.115 -14.063 8.715 134 HD22 ASN 17 2HD2 ASN 17 0.393 -15.559 7.958 135 H ALA 18 H ALA 18 0.160 -9.664 5.078 136 HA ALA 18 HA ALA 18 -2.621 -10.177 5.918 137 HB1 ALA 18 1HB ALA 18 -1.497 -7.922 4.221 138 HB2 ALA 18 2HB ALA 18 -3.031 -7.989 5.128 139 HB3 ALA 18 3HB ALA 18 -1.498 -7.915 6.004 140 H THR 19 H THR 19 -4.216 -9.400 4.114 141 HA THR 19 HA THR 19 -4.062 -11.281 1.879 142 HB THR 19 HB THR 19 -6.674 -11.233 2.668 143 HG1 THR 19 1HG THR 19 -6.556 -11.242 5.025 144 HG21 THR 19 3HG2 THR 19 -6.198 -13.262 3.913 145 HG22 THR 19 1HG2 THR 19 -4.522 -12.747 4.202 146 HG23 THR 19 2HG2 THR 19 -5.061 -13.205 2.577 147 H GLN 20 H GLN 20 -5.770 -10.884 0.193 148 HA GLN 20 HA GLN 20 -5.594 -8.313 -1.041 149 HB2 GLN 20 1HB GLN 20 -7.708 -10.486 -1.345 150 HB3 GLN 20 2HB GLN 20 -7.442 -9.161 -2.455 151 HG2 GLN 20 1HG GLN 20 -5.216 -11.166 -1.902 152 HG3 GLN 20 2HG GLN 20 -6.513 -11.494 -3.036 153 HE21 GLN 20 1HE2 GLN 20 -3.828 -9.157 -2.370 154 HE22 GLN 20 2HE2 GLN 20 -3.802 -8.612 -4.047 155 H GLU 21 H GLU 21 -7.958 -9.818 1.115 156 HA GLU 21 HA GLU 21 -9.919 -7.753 0.947 157 HB2 GLU 21 1HB GLU 21 -9.410 -9.811 3.144 158 HB3 GLU 21 2HB GLU 21 -10.882 -8.879 2.828 159 HG2 GLU 21 1HG GLU 21 -10.859 -9.937 0.512 160 HG3 GLU 21 2HG GLU 21 -9.838 -11.192 1.247 161 H GLU 22 H GLU 22 -7.104 -8.234 3.052 162 HA GLU 22 HA GLU 22 -7.914 -6.195 4.981 163 HB2 GLU 22 1HB GLU 22 -5.427 -7.920 4.546 164 HB3 GLU 22 2HB GLU 22 -5.433 -6.577 5.696 165 HG2 GLU 22 1HG GLU 22 -7.480 -8.826 5.804 166 HG3 GLU 22 2HG GLU 22 -5.916 -8.861 6.634 167 H LEU 23 H LEU 23 -5.784 -6.492 2.149 168 HA LEU 23 HA LEU 23 -4.458 -4.049 2.227 169 HB2 LEU 23 1HB LEU 23 -5.386 -5.862 -0.008 170 HB3 LEU 23 2HB LEU 23 -4.633 -4.338 -0.417 171 HG LEU 23 HG LEU 23 -3.196 -6.219 1.488 172 HD11 LEU 23 1HD1 LEU 23 -3.406 -6.434 -1.521 173 HD12 LEU 23 2HD1 LEU 23 -3.717 -7.672 -0.287 174 HD13 LEU 23 3HD1 LEU 23 -2.078 -7.142 -0.562 175 HD21 LEU 23 3HD2 LEU 23 -2.317 -3.942 1.220 176 HD22 LEU 23 1HD2 LEU 23 -2.281 -4.143 -0.551 177 HD23 LEU 23 2HD2 LEU 23 -1.223 -5.113 0.482 178 H LYS 24 H LYS 24 -7.464 -4.742 0.411 179 HA LYS 24 HA LYS 24 -7.994 -2.063 -0.346 180 HB2 LYS 24 1HB LYS 24 -10.331 -2.812 -0.706 181 HB3 LYS 24 2HB LYS 24 -9.091 -3.766 -1.507 182 HG2 LYS 24 1HG LYS 24 -10.125 -5.587 -0.736 183 HG3 LYS 24 2HG LYS 24 -9.460 -5.196 0.833 184 HD2 LYS 24 1HD LYS 24 -11.741 -5.569 1.208 185 HD3 LYS 24 2HD LYS 24 -11.600 -3.796 1.231 186 HE2 LYS 24 1HE LYS 24 -12.409 -3.661 -1.087 187 HE3 LYS 24 2HE LYS 24 -12.357 -5.422 -1.234 188 HZ1 LYS 24 3HZ LYS 24 -14.586 -4.735 -0.809 189 HZ2 LYS 24 1HZ LYS 24 -14.162 -3.871 0.513 190 HZ3 LYS 24 2HZ LYS 24 -14.058 -5.517 0.541 191 H LYS 25 H LYS 25 -9.223 -3.826 2.474 192 HA LYS 25 HA LYS 25 -10.735 -1.800 3.713 193 HB2 LYS 25 1HB LYS 25 -9.129 -4.070 4.854 194 HB3 LYS 25 2HB LYS 25 -9.978 -2.941 5.904 195 HG2 LYS 25 1HG LYS 25 -11.543 -4.146 3.621 196 HG3 LYS 25 2HG LYS 25 -11.084 -5.168 4.975 197 HD2 LYS 25 1HD LYS 25 -12.226 -3.780 6.569 198 HD3 LYS 25 2HD LYS 25 -12.551 -2.548 5.341 199 HE2 LYS 25 1HE LYS 25 -14.580 -3.767 5.762 200 HE3 LYS 25 2HE LYS 25 -14.018 -4.149 4.134 201 HZ1 LYS 25 3HZ LYS 25 -13.677 -5.916 6.503 202 HZ2 LYS 25 1HZ LYS 25 -13.206 -6.252 4.958 203 HZ3 LYS 25 2HZ LYS 25 -14.784 -6.094 5.310 204 H ALA 26 H ALA 26 -7.193 -2.439 4.038 205 HA ALA 26 HA ALA 26 -6.657 -0.350 5.880 206 HB1 ALA 26 1HB ALA 26 -4.293 -0.732 5.230 207 HB2 ALA 26 2HB ALA 26 -5.152 -2.239 5.593 208 HB3 ALA 26 3HB ALA 26 -4.823 -1.780 3.914 209 H TYR 27 H TYR 27 -6.051 -0.492 2.326 210 HA TYR 27 HA TYR 27 -5.001 1.984 1.859 211 HB2 TYR 27 1HB TYR 27 -5.251 0.344 0.100 212 HB3 TYR 27 2HB TYR 27 -7.012 0.395 0.205 213 HD1 TYR 27 1HD TYR 27 -8.304 2.289 -0.721 214 HD2 TYR 27 2HD TYR 27 -4.010 2.192 -0.912 215 HE1 TYR 27 1HE TYR 27 -8.354 4.189 -2.305 216 HE2 TYR 27 2HE TYR 27 -4.024 4.182 -2.417 217 HH TYR 27 HH TYR 27 -7.001 5.532 -3.840 218 H ARG 28 H ARG 28 -8.497 1.209 2.101 219 HA ARG 28 HA ARG 28 -9.606 3.596 1.427 220 HB2 ARG 28 1HB ARG 28 -10.436 1.157 2.387 221 HB3 ARG 28 2HB ARG 28 -10.806 2.142 3.787 222 HG2 ARG 28 1HG ARG 28 -11.677 2.951 0.979 223 HG3 ARG 28 2HG ARG 28 -12.510 1.718 1.902 224 HD2 ARG 28 1HD ARG 28 -12.903 3.319 3.754 225 HD3 ARG 28 2HD ARG 28 -12.062 4.579 2.833 226 HE ARG 28 HE ARG 28 -14.083 3.540 1.170 227 HH11 ARG 28 1HH1 ARG 28 -13.866 5.404 4.243 228 HH12 ARG 28 2HH1 ARG 28 -15.321 6.290 3.922 229 HH21 ARG 28 1HH2 ARG 28 -16.052 4.749 0.837 230 HH22 ARG 28 2HH2 ARG 28 -16.589 5.853 2.068 231 H LYS 29 H LYS 29 -8.626 2.737 4.822 232 HA LYS 29 HA LYS 29 -9.334 5.455 5.635 233 HB2 LYS 29 1HB LYS 29 -8.557 4.907 7.834 234 HB3 LYS 29 2HB LYS 29 -9.688 3.744 7.231 235 HG2 LYS 29 1HG LYS 29 -6.882 2.855 6.839 236 HG3 LYS 29 2HG LYS 29 -7.248 3.283 8.506 237 HD2 LYS 29 1HD LYS 29 -9.442 1.781 8.033 238 HD3 LYS 29 2HD LYS 29 -8.370 1.018 6.872 239 HE2 LYS 29 1HE LYS 29 -7.580 1.503 9.772 240 HE3 LYS 29 2HE LYS 29 -8.626 0.157 9.345 241 HZ1 LYS 29 3HZ LYS 29 -6.932 -0.824 8.055 242 HZ2 LYS 29 1HZ LYS 29 -6.302 -0.446 9.511 243 HZ3 LYS 29 2HZ LYS 29 -5.892 0.463 8.233 244 H LEU 30 H LEU 30 -6.419 4.042 4.288 245 HA LEU 30 HA LEU 30 -4.652 6.063 5.411 246 HB2 LEU 30 1HB LEU 30 -4.313 4.206 3.079 247 HB3 LEU 30 2HB LEU 30 -3.069 5.285 3.684 248 HG LEU 30 HG LEU 30 -4.330 3.023 5.293 249 HD11 LEU 30 1HD1 LEU 30 -2.954 2.210 3.441 250 HD12 LEU 30 2HD1 LEU 30 -2.091 2.016 4.977 251 HD13 LEU 30 3HD1 LEU 30 -1.638 3.325 3.876 252 HD21 LEU 30 3HD2 LEU 30 -3.567 4.816 6.802 253 HD22 LEU 30 1HD2 LEU 30 -2.020 4.927 5.930 254 HD23 LEU 30 2HD2 LEU 30 -2.440 3.467 6.872 255 H ALA 31 H ALA 31 -6.328 5.664 2.231 256 HA ALA 31 HA ALA 31 -5.271 8.115 1.139 257 HB1 ALA 31 1HB ALA 31 -6.378 6.499 -0.323 258 HB2 ALA 31 2HB ALA 31 -7.868 6.548 0.643 259 HB3 ALA 31 3HB ALA 31 -7.382 7.963 -0.300 260 H LEU 32 H LEU 32 -8.342 7.421 2.901 261 HA LEU 32 HA LEU 32 -8.993 10.190 3.257 262 HB2 LEU 32 1HB LEU 32 -10.007 7.592 4.462 263 HB3 LEU 32 2HB LEU 32 -10.594 9.168 4.980 264 HG LEU 32 HG LEU 32 -11.130 9.716 2.561 265 HD11 LEU 32 1HD1 LEU 32 -10.006 7.882 1.376 266 HD12 LEU 32 2HD1 LEU 32 -11.737 7.837 1.099 267 HD13 LEU 32 3HD1 LEU 32 -11.029 6.694 2.235 268 HD21 LEU 32 3HD2 LEU 32 -13.324 8.520 2.737 269 HD22 LEU 32 1HD2 LEU 32 -12.833 9.251 4.266 270 HD23 LEU 32 2HD2 LEU 32 -12.623 7.501 4.021 271 H LYS 33 H LYS 33 -6.330 8.853 4.472 272 HA LYS 33 HA LYS 33 -6.428 10.473 6.964 273 HB2 LYS 33 1HB LYS 33 -5.558 8.139 7.269 274 HB3 LYS 33 2HB LYS 33 -4.377 8.397 6.028 275 HG2 LYS 33 1HG LYS 33 -3.251 8.619 8.100 276 HG3 LYS 33 2HG LYS 33 -3.315 10.199 7.342 277 HD2 LYS 33 1HD LYS 33 -3.790 10.406 9.730 278 HD3 LYS 33 2HD LYS 33 -5.234 10.834 8.801 279 HE2 LYS 33 1HE LYS 33 -5.973 8.367 9.151 280 HE3 LYS 33 2HE LYS 33 -4.629 8.243 10.299 281 HZ1 LYS 33 3HZ LYS 33 -6.842 10.206 10.461 282 HZ2 LYS 33 1HZ LYS 33 -5.610 10.039 11.537 283 HZ3 LYS 33 2HZ LYS 33 -6.737 8.835 11.366 284 H TYR 34 H TYR 34 -4.118 9.629 4.392 285 HA TYR 34 HA TYR 34 -2.843 12.203 4.492 286 HB2 TYR 34 1HB TYR 34 -2.418 9.797 2.661 287 HB3 TYR 34 2HB TYR 34 -1.319 11.101 2.887 288 HD1 TYR 34 2HD TYR 34 -0.865 11.564 5.652 289 HD2 TYR 34 1HD TYR 34 -1.964 7.793 3.844 290 HE1 TYR 34 2HE TYR 34 0.352 10.361 7.405 291 HE2 TYR 34 1HE TYR 34 -0.692 6.604 5.489 292 HH TYR 34 HH TYR 34 0.723 6.790 7.440 293 H HIS 35 H HIS 35 -5.634 12.408 3.520 294 HA HIS 35 HA HIS 35 -5.535 12.603 0.625 295 HB2 HIS 35 1HB HIS 35 -7.567 12.500 2.498 296 HB3 HIS 35 2HB HIS 35 -7.563 14.218 2.144 297 HD1 HIS 35 1HD HIS 35 -8.706 14.874 -0.264 298 HD2 HIS 35 2HD HIS 35 -7.962 10.777 0.392 299 HE1 HIS 35 1HE HIS 35 -9.748 13.651 -2.174 300 HA PRO 36 HA PRO 36 -3.416 16.517 0.754 301 HB2 PRO 36 1HB PRO 36 -3.951 17.585 -1.716 302 HB3 PRO 36 2HB PRO 36 -2.869 16.175 -1.464 303 HG2 PRO 36 1HG PRO 36 -5.809 16.163 -2.222 304 HG3 PRO 36 2HG PRO 36 -4.463 15.269 -3.003 305 HD2 PRO 36 1HD PRO 36 -6.095 14.103 -1.174 306 HD3 PRO 36 2HD PRO 36 -4.351 13.726 -1.184 307 H ASP 37 H ASP 37 -6.789 16.410 -0.051 308 HA ASP 37 HA ASP 37 -7.764 18.982 0.164 309 HB2 ASP 37 1HB ASP 37 -9.100 17.025 -0.415 310 HB3 ASP 37 2HB ASP 37 -8.861 16.336 1.176 311 H LYS 38 H LYS 38 -7.093 16.763 2.884 312 HA LYS 38 HA LYS 38 -7.403 19.058 4.795 313 HB2 LYS 38 1HB LYS 38 -8.382 16.190 4.972 314 HB3 LYS 38 2HB LYS 38 -8.299 17.253 6.366 315 HG2 LYS 38 1HG LYS 38 -9.680 18.476 4.041 316 HG3 LYS 38 2HG LYS 38 -10.453 17.015 4.631 317 HD2 LYS 38 1HD LYS 38 -9.820 19.420 6.397 318 HD3 LYS 38 2HD LYS 38 -11.330 19.151 5.539 319 HE2 LYS 38 1HE LYS 38 -11.996 18.164 7.440 320 HE3 LYS 38 2HE LYS 38 -11.234 16.759 6.694 321 HZ1 LYS 38 3HZ LYS 38 -10.556 18.189 9.049 322 HZ2 LYS 38 1HZ LYS 38 -9.219 17.977 8.100 323 HZ3 LYS 38 2HZ LYS 38 -10.139 16.675 8.604 324 H ASN 39 H ASN 39 -5.090 17.074 3.506 325 HA ASN 39 HA ASN 39 -3.342 17.792 5.713 326 HB2 ASN 39 1HB ASN 39 -4.295 15.452 6.219 327 HB3 ASN 39 2HB ASN 39 -3.275 14.859 4.923 328 HD21 ASN 39 1HD2 ASN 39 -0.899 15.950 5.130 329 HD22 ASN 39 2HD2 ASN 39 -0.212 15.916 6.751 330 HA PRO 40 HA PRO 40 -1.714 18.024 1.313 331 HB2 PRO 40 1HB PRO 40 -0.785 20.627 1.454 332 HB3 PRO 40 2HB PRO 40 -2.424 20.157 0.902 333 HG2 PRO 40 1HG PRO 40 -1.561 21.168 3.611 334 HG3 PRO 40 2HG PRO 40 -3.025 21.582 2.665 335 HD2 PRO 40 1HD PRO 40 -3.012 19.780 4.744 336 HD3 PRO 40 2HD PRO 40 -4.128 19.595 3.366 337 H ASN 41 H ASN 41 -0.456 18.900 4.485 338 HA ASN 41 HA ASN 41 2.299 18.857 4.098 339 HB2 ASN 41 1HB ASN 41 0.462 18.791 6.293 340 HB3 ASN 41 2HB ASN 41 1.516 17.422 6.536 341 HD21 ASN 41 1HD2 ASN 41 1.395 20.953 6.303 342 HD22 ASN 41 2HD2 ASN 41 2.952 21.175 7.057 343 H GLU 42 H GLU 42 0.251 16.231 3.411 344 HA GLU 42 HA GLU 42 2.404 14.207 3.516 345 HB2 GLU 42 1HB GLU 42 -0.392 13.826 4.597 346 HB3 GLU 42 2HB GLU 42 0.790 12.546 4.358 347 HG2 GLU 42 1HG GLU 42 1.481 14.878 6.187 348 HG3 GLU 42 2HG GLU 42 0.420 13.604 6.736 349 H GLY 43 H GLY 43 0.821 16.056 1.473 350 HA2 GLY 43 1HA GLY 43 -0.991 14.399 0.064 351 HA3 GLY 43 2HA GLY 43 -0.231 15.886 -0.525 352 H GLU 44 H GLU 44 2.535 14.630 -0.156 353 HA GLU 44 HA GLU 44 2.600 13.171 -2.737 354 HB2 GLU 44 1HB GLU 44 4.889 13.893 -0.848 355 HB3 GLU 44 2HB GLU 44 5.032 13.033 -2.384 356 HG2 GLU 44 1HG GLU 44 3.931 15.032 -3.512 357 HG3 GLU 44 2HG GLU 44 4.144 15.902 -1.987 358 H LYS 45 H LYS 45 2.412 12.436 0.697 359 HA LYS 45 HA LYS 45 3.754 9.909 0.657 360 HB2 LYS 45 1HB LYS 45 2.708 11.215 2.719 361 HB3 LYS 45 2HB LYS 45 1.215 10.410 2.263 362 HG2 LYS 45 1HG LYS 45 2.302 8.210 2.362 363 HG3 LYS 45 2HG LYS 45 3.847 8.961 2.764 364 HD2 LYS 45 1HD LYS 45 1.314 9.182 4.380 365 HD3 LYS 45 2HD LYS 45 2.573 7.953 4.684 366 HE2 LYS 45 1HE LYS 45 4.188 10.003 4.895 367 HE3 LYS 45 2HE LYS 45 2.707 10.956 5.017 368 HZ1 LYS 45 3HZ LYS 45 2.995 10.546 7.140 369 HZ2 LYS 45 1HZ LYS 45 3.894 9.177 6.946 370 HZ3 LYS 45 2HZ LYS 45 2.231 9.118 6.858 371 H PHE 46 H PHE 46 0.568 10.954 -0.352 372 HA PHE 46 HA PHE 46 -0.797 8.596 -0.723 373 HB2 PHE 46 1HB PHE 46 -1.161 11.233 -1.394 374 HB3 PHE 46 2HB PHE 46 -0.999 10.517 -2.976 375 HD1 PHE 46 2HD PHE 46 -2.369 7.946 -2.887 376 HD2 PHE 46 1HD PHE 46 -3.398 11.657 -0.927 377 HE1 PHE 46 2HE PHE 46 -4.740 7.345 -2.998 378 HE2 PHE 46 1HE PHE 46 -5.799 11.056 -1.087 379 HZ PHE 46 HZ PHE 46 -6.480 8.925 -2.147 380 H LYS 47 H LYS 47 1.825 9.948 -2.773 381 HA LYS 47 HA LYS 47 1.522 8.156 -4.929 382 HB2 LYS 47 1HB LYS 47 2.903 10.476 -4.377 383 HB3 LYS 47 2HB LYS 47 4.206 9.331 -4.265 384 HG2 LYS 47 1HG LYS 47 2.592 8.977 -6.733 385 HG3 LYS 47 2HG LYS 47 3.114 10.634 -6.483 386 HD2 LYS 47 1HD LYS 47 4.858 9.787 -7.756 387 HD3 LYS 47 2HD LYS 47 5.493 9.656 -6.118 388 HE2 LYS 47 1HE LYS 47 4.391 7.244 -6.217 389 HE3 LYS 47 2HE LYS 47 4.378 7.504 -7.952 390 HZ1 LYS 47 3HZ LYS 47 6.336 6.376 -7.351 391 HZ2 LYS 47 1HZ LYS 47 6.696 7.422 -6.159 392 HZ3 LYS 47 2HZ LYS 47 6.813 7.904 -7.741 393 H GLN 48 H GLN 48 3.037 7.626 -1.759 394 HA GLN 48 HA GLN 48 4.383 5.184 -2.720 395 HB2 GLN 48 1HB GLN 48 4.083 6.583 -0.041 396 HB3 GLN 48 2HB GLN 48 4.447 4.864 -0.134 397 HG2 GLN 48 1HG GLN 48 6.346 5.756 -1.831 398 HG3 GLN 48 2HG GLN 48 6.156 7.209 -0.875 399 HE21 GLN 48 1HE2 GLN 48 7.214 7.227 1.135 400 HE22 GLN 48 2HE2 GLN 48 7.856 5.775 1.922 401 H ILE 49 H ILE 49 1.272 6.209 -1.412 402 HA ILE 49 HA ILE 49 0.524 3.612 -0.383 403 HB ILE 49 HB ILE 49 -1.467 5.739 -1.254 404 HG12 ILE 49 1HG1 ILE 49 0.018 5.646 1.409 405 HG13 ILE 49 2HG1 ILE 49 0.158 6.870 0.169 406 HG21 ILE 49 1HG2 ILE 49 -2.175 3.376 -0.527 407 HG22 ILE 49 2HG2 ILE 49 -1.617 3.817 1.096 408 HG23 ILE 49 3HG2 ILE 49 -2.943 4.720 0.326 409 HD11 ILE 49 3HD1 ILE 49 -2.192 6.368 1.967 410 HD12 ILE 49 1HD1 ILE 49 -1.229 7.842 1.754 411 HD13 ILE 49 2HD1 ILE 49 -2.348 7.321 0.469 412 H SER 50 H SER 50 -0.148 5.461 -3.435 413 HA SER 50 HA SER 50 -1.669 3.450 -4.735 414 HB2 SER 50 1HB SER 50 -0.811 4.697 -6.811 415 HB3 SER 50 2HB SER 50 -1.734 5.631 -5.625 416 HG SER 50 HG SER 50 0.181 6.721 -6.319 417 H GLN 51 H GLN 51 1.824 4.235 -4.993 418 HA GLN 51 HA GLN 51 2.587 2.202 -6.680 419 HB2 GLN 51 1HB GLN 51 3.852 4.257 -5.783 420 HB3 GLN 51 2HB GLN 51 4.260 3.291 -4.365 421 HG2 GLN 51 1HG GLN 51 6.126 2.743 -5.510 422 HG3 GLN 51 2HG GLN 51 5.103 1.685 -6.482 423 HE21 GLN 51 1HE2 GLN 51 4.559 2.312 -8.659 424 HE22 GLN 51 2HE2 GLN 51 5.175 3.831 -9.351 425 H ALA 52 H ALA 52 2.010 1.909 -3.191 426 HA ALA 52 HA ALA 52 3.091 -0.842 -3.149 427 HB1 ALA 52 1HB ALA 52 2.321 -0.746 -0.748 428 HB2 ALA 52 2HB ALA 52 3.374 0.624 -1.137 429 HB3 ALA 52 3HB ALA 52 1.617 0.858 -1.040 430 H TYR 53 H TYR 53 -0.139 0.709 -2.723 431 HA TYR 53 HA TYR 53 -1.536 -1.724 -2.415 432 HB2 TYR 53 1HB TYR 53 -2.399 0.526 -1.862 433 HB3 TYR 53 2HB TYR 53 -2.437 0.944 -3.574 434 HD1 TYR 53 2HD TYR 53 -3.757 -1.666 -1.180 435 HD2 TYR 53 1HD TYR 53 -4.439 0.643 -4.754 436 HE1 TYR 53 2HE TYR 53 -6.054 -2.573 -1.343 437 HE2 TYR 53 1HE TYR 53 -6.734 -0.238 -4.908 438 HH TYR 53 HH TYR 53 -8.180 -2.036 -4.046 439 H GLU 54 H GLU 54 -0.300 -0.158 -5.303 440 HA GLU 54 HA GLU 54 -1.984 -1.352 -7.249 441 HB2 GLU 54 1HB GLU 54 -0.505 0.606 -7.657 442 HB3 GLU 54 2HB GLU 54 0.917 -0.368 -7.317 443 HG2 GLU 54 1HG GLU 54 0.608 -0.020 -9.692 444 HG3 GLU 54 2HG GLU 54 0.519 -1.718 -9.277 445 H VAL 55 H VAL 55 1.133 -2.418 -5.824 446 HA VAL 55 HA VAL 55 1.627 -4.443 -7.727 447 HB VAL 55 HB VAL 55 2.671 -4.602 -4.858 448 HG11 VAL 55 1HG1 VAL 55 4.676 -5.433 -6.001 449 HG12 VAL 55 2HG1 VAL 55 3.277 -6.384 -6.503 450 HG13 VAL 55 3HG1 VAL 55 3.933 -5.140 -7.586 451 HG21 VAL 55 3HG2 VAL 55 2.974 -2.454 -5.043 452 HG22 VAL 55 1HG2 VAL 55 4.477 -3.057 -5.724 453 HG23 VAL 55 2HG2 VAL 55 3.244 -2.443 -6.829 454 H LEU 56 H LEU 56 0.019 -4.501 -4.535 455 HA LEU 56 HA LEU 56 -0.396 -7.362 -4.733 456 HB2 LEU 56 1HB LEU 56 -1.665 -5.381 -2.810 457 HB3 LEU 56 2HB LEU 56 -1.500 -7.132 -2.681 458 HG LEU 56 HG LEU 56 0.074 -6.345 -1.239 459 HD11 LEU 56 1HD1 LEU 56 1.001 -8.079 -2.656 460 HD12 LEU 56 2HD1 LEU 56 2.220 -6.983 -1.967 461 HD13 LEU 56 3HD1 LEU 56 1.752 -6.831 -3.672 462 HD21 LEU 56 3HD2 LEU 56 1.263 -4.668 -0.977 463 HD22 LEU 56 1HD2 LEU 56 -0.000 -3.965 -1.987 464 HD23 LEU 56 2HD2 LEU 56 1.566 -4.414 -2.732 465 H SER 57 H SER 57 -2.207 -4.541 -5.852 466 HA SER 57 HA SER 57 -4.801 -5.842 -5.581 467 HB2 SER 57 1HB SER 57 -3.898 -3.270 -6.924 468 HB3 SER 57 2HB SER 57 -5.574 -3.822 -6.883 469 HG SER 57 HG SER 57 -3.898 -3.002 -4.790 470 H ASP 58 H ASP 58 -2.389 -5.557 -8.200 471 HA ASP 58 HA ASP 58 -4.211 -6.903 -10.132 472 HB2 ASP 58 1HB ASP 58 -2.339 -5.399 -10.937 473 HB3 ASP 58 2HB ASP 58 -1.213 -6.476 -10.193 474 H ALA 59 H ALA 59 -4.403 -9.092 -10.153 475 HA ALA 59 HA ALA 59 -3.115 -10.809 -8.239 476 HB1 ALA 59 1HB ALA 59 -4.452 -11.483 -10.912 477 HB2 ALA 59 2HB ALA 59 -4.004 -12.649 -9.651 478 HB3 ALA 59 3HB ALA 59 -5.250 -11.428 -9.322 479 H LYS 60 H LYS 60 -2.294 -9.850 -11.646 480 HA LYS 60 HA LYS 60 -0.205 -11.830 -11.796 481 HB2 LYS 60 1HB LYS 60 -1.490 -10.021 -13.630 482 HB3 LYS 60 2HB LYS 60 0.229 -9.701 -13.692 483 HG2 LYS 60 1HG LYS 60 -0.119 -11.406 -15.264 484 HG3 LYS 60 2HG LYS 60 0.606 -12.215 -13.878 485 HD2 LYS 60 1HD LYS 60 -1.109 -13.686 -14.391 486 HD3 LYS 60 2HD LYS 60 -1.933 -12.683 -13.196 487 HE2 LYS 60 1HE LYS 60 -2.773 -11.264 -15.186 488 HE3 LYS 60 2HE LYS 60 -2.068 -12.500 -16.234 489 HZ1 LYS 60 3HZ LYS 60 -4.470 -12.620 -14.635 490 HZ2 LYS 60 1HZ LYS 60 -3.558 -13.994 -14.611 491 HZ3 LYS 60 2HZ LYS 60 -4.126 -13.393 -16.033 492 H LYS 61 H LYS 61 -0.015 -8.233 -11.341 493 HA LYS 61 HA LYS 61 2.790 -8.242 -10.862 494 HB2 LYS 61 1HB LYS 61 0.718 -6.501 -9.450 495 HB3 LYS 61 2HB LYS 61 2.451 -6.280 -9.386 496 HG2 LYS 61 1HG LYS 61 1.729 -6.466 -12.162 497 HG3 LYS 61 2HG LYS 61 0.562 -5.374 -11.409 498 HD2 LYS 61 1HD LYS 61 3.530 -5.050 -10.937 499 HD3 LYS 61 2HD LYS 61 2.837 -4.485 -12.423 500 HE2 LYS 61 1HE LYS 61 1.653 -3.603 -9.773 501 HE3 LYS 61 2HE LYS 61 3.075 -2.823 -10.453 502 HZ1 LYS 61 3HZ LYS 61 1.586 -1.562 -11.478 503 HZ2 LYS 61 1HZ LYS 61 0.338 -2.605 -11.347 504 HZ3 LYS 61 2HZ LYS 61 1.453 -2.789 -12.557 505 H ARG 62 H ARG 62 0.118 -8.860 -8.485 506 HA ARG 62 HA ARG 62 1.874 -9.484 -6.416 507 HB2 ARG 62 1HB ARG 62 -0.513 -9.091 -6.127 508 HB3 ARG 62 2HB ARG 62 -0.874 -10.678 -6.776 509 HG2 ARG 62 1HG ARG 62 0.091 -11.809 -4.947 510 HG3 ARG 62 2HG ARG 62 1.039 -10.415 -4.433 511 HD2 ARG 62 1HD ARG 62 -0.650 -9.440 -3.292 512 HD3 ARG 62 2HD ARG 62 -1.897 -9.963 -4.428 513 HE ARG 62 HE ARG 62 -0.965 -11.350 -2.029 514 HH11 ARG 62 1HH1 ARG 62 -2.449 -11.878 -5.199 515 HH12 ARG 62 2HH1 ARG 62 -3.513 -13.138 -4.692 516 HH21 ARG 62 1HH2 ARG 62 -2.352 -13.025 -1.304 517 HH22 ARG 62 2HH2 ARG 62 -3.248 -13.981 -2.469 518 H GLU 63 H GLU 63 0.803 -11.741 -9.018 519 HA GLU 63 HA GLU 63 1.836 -14.126 -7.952 520 HB2 GLU 63 1HB GLU 63 1.625 -13.179 -10.844 521 HB3 GLU 63 2HB GLU 63 2.298 -14.741 -10.422 522 HG2 GLU 63 1HG GLU 63 0.257 -15.506 -9.431 523 HG3 GLU 63 2HG GLU 63 -0.516 -13.950 -9.608 524 H LEU 64 H LEU 64 3.599 -11.425 -9.442 525 HA LEU 64 HA LEU 64 6.079 -13.020 -9.513 526 HB2 LEU 64 1HB LEU 64 5.282 -10.274 -10.507 527 HB3 LEU 64 2HB LEU 64 6.985 -10.648 -10.266 528 HG LEU 64 HG LEU 64 6.252 -10.998 -12.593 529 HD11 LEU 64 1HD1 LEU 64 7.309 -13.149 -12.960 530 HD12 LEU 64 2HD1 LEU 64 7.085 -13.626 -11.284 531 HD13 LEU 64 3HD1 LEU 64 8.179 -12.293 -11.670 532 HD21 LEU 64 3HD2 LEU 64 4.837 -12.799 -13.278 533 HD22 LEU 64 1HD2 LEU 64 3.944 -11.832 -12.100 534 HD23 LEU 64 2HD2 LEU 64 4.655 -13.382 -11.593 535 H TYR 65 H TYR 65 4.837 -10.146 -7.848 536 HA TYR 65 HA TYR 65 6.864 -9.564 -5.998 537 HB2 TYR 65 1HB TYR 65 4.966 -8.166 -6.244 538 HB3 TYR 65 2HB TYR 65 3.864 -9.500 -5.932 539 HD1 TYR 65 2HD TYR 65 6.362 -7.273 -4.322 540 HD2 TYR 65 1HD TYR 65 3.222 -10.174 -3.734 541 HE1 TYR 65 2HE TYR 65 6.285 -6.693 -1.935 542 HE2 TYR 65 1HE TYR 65 3.105 -9.597 -1.343 543 HH TYR 65 HH TYR 65 5.413 -7.219 0.098 544 H ASP 66 H ASP 66 4.502 -12.191 -5.949 545 HA ASP 66 HA ASP 66 4.710 -13.213 -3.423 546 HB2 ASP 66 1HB ASP 66 3.368 -14.008 -5.458 547 HB3 ASP 66 2HB ASP 66 4.807 -14.907 -5.943 548 H LYS 67 H LYS 67 7.119 -13.532 -6.019 549 HA LYS 67 HA LYS 67 8.976 -14.804 -4.046 550 HB2 LYS 67 1HB LYS 67 9.597 -16.551 -5.516 551 HB3 LYS 67 2HB LYS 67 7.847 -16.581 -5.313 552 HG2 LYS 67 1HG LYS 67 7.620 -15.382 -7.531 553 HG3 LYS 67 2HG LYS 67 9.386 -15.468 -7.686 554 HD2 LYS 67 1HD LYS 67 9.142 -18.018 -7.443 555 HD3 LYS 67 2HD LYS 67 7.393 -17.769 -7.647 556 HE2 LYS 67 1HE LYS 67 7.883 -16.527 -9.777 557 HE3 LYS 67 2HE LYS 67 9.598 -16.868 -9.546 558 HZ1 LYS 67 3HZ LYS 67 8.491 -18.402 -11.078 559 HZ2 LYS 67 1HZ LYS 67 7.525 -18.950 -9.875 560 HZ3 LYS 67 2HZ LYS 67 9.155 -19.191 -9.801 561 H GLY 68 H GLY 68 8.734 -12.084 -5.726 562 HA2 GLY 68 1HA GLY 68 11.574 -11.667 -5.905 563 HA3 GLY 68 2HA GLY 68 10.886 -12.008 -7.486 564 H GLY 69 H GLY 69 8.737 -10.612 -7.913 565 HA2 GLY 69 1HA GLY 69 7.682 -8.593 -8.060 566 HA3 GLY 69 2HA GLY 69 8.401 -8.181 -6.507 567 H GLU 70 H GLU 70 10.753 -8.812 -8.984 568 HA GLU 70 HA GLU 70 11.332 -5.922 -9.096 569 HB2 GLU 70 1HB GLU 70 13.039 -7.831 -8.536 570 HB3 GLU 70 2HB GLU 70 13.089 -8.080 -10.282 571 HG2 GLU 70 1HG GLU 70 14.889 -6.569 -9.635 572 HG3 GLU 70 2HG GLU 70 13.719 -5.621 -10.542 573 H GLN 71 H GLN 71 9.059 -7.264 -10.568 574 HA GLN 71 HA GLN 71 9.504 -6.135 -13.195 575 HB2 GLN 71 1HB GLN 71 8.755 -8.244 -14.318 576 HB3 GLN 71 2HB GLN 71 10.351 -8.345 -13.625 577 HG2 GLN 71 1HG GLN 71 8.017 -9.326 -11.979 578 HG3 GLN 71 2HG GLN 71 8.534 -10.283 -13.368 579 HE21 GLN 71 1HE2 GLN 71 10.898 -10.922 -13.463 580 HE22 GLN 71 2HE2 GLN 71 11.662 -11.324 -11.929 Start of MODEL 7 1 H1 GLY 1 H GLY 1 11.186 3.960 15.127 2 HA2 GLY 1 1HA GLY 1 13.549 4.460 15.290 3 HA3 GLY 1 2HA GLY 1 13.318 3.010 14.279 4 H MET 2 H MET 2 14.959 3.234 12.765 5 HA MET 2 HA MET 2 14.637 5.523 10.899 6 HB2 MET 2 1HB MET 2 17.052 5.634 10.586 7 HB3 MET 2 2HB MET 2 16.673 5.864 12.293 8 HG2 MET 2 1HG MET 2 17.231 3.459 12.707 9 HG3 MET 2 2HG MET 2 17.669 3.287 11.006 10 HE1 MET 2 3HE MET 2 21.101 3.022 12.812 11 HE2 MET 2 1HE MET 2 19.529 2.428 13.399 12 HE3 MET 2 2HE MET 2 19.953 2.263 11.683 13 H VAL 3 H VAL 3 13.974 2.490 11.130 14 HA VAL 3 HA VAL 3 14.947 1.534 8.538 15 HB VAL 3 HB VAL 3 14.557 -0.050 10.359 16 HG11 VAL 3 1HG1 VAL 3 12.590 0.971 11.442 17 HG12 VAL 3 2HG1 VAL 3 11.582 0.478 10.068 18 HG13 VAL 3 3HG1 VAL 3 12.365 -0.752 11.079 19 HG21 VAL 3 3HG2 VAL 3 13.408 -1.759 9.047 20 HG22 VAL 3 1HG2 VAL 3 12.783 -0.523 7.936 21 HG23 VAL 3 2HG2 VAL 3 14.532 -0.821 8.049 22 H LYS 4 H LYS 4 14.282 2.516 6.817 23 HA LYS 4 HA LYS 4 11.464 3.484 6.563 24 HB2 LYS 4 1HB LYS 4 14.011 4.833 5.568 25 HB3 LYS 4 2HB LYS 4 12.377 5.380 5.209 26 HG2 LYS 4 1HG LYS 4 12.107 6.415 7.204 27 HG3 LYS 4 2HG LYS 4 12.841 5.119 8.119 28 HD2 LYS 4 1HD LYS 4 14.255 6.922 8.481 29 HD3 LYS 4 2HD LYS 4 15.123 5.925 7.302 30 HE2 LYS 4 1HE LYS 4 14.317 7.430 5.469 31 HE3 LYS 4 2HE LYS 4 13.408 8.355 6.672 32 HZ1 LYS 4 3HZ LYS 4 16.311 8.335 6.240 33 HZ2 LYS 4 1HZ LYS 4 15.740 8.622 7.748 34 HZ3 LYS 4 2HZ LYS 4 15.262 9.572 6.507 35 H GLU 5 H GLU 5 12.480 0.864 5.864 36 HA GLU 5 HA GLU 5 12.017 0.878 3.007 37 HB2 GLU 5 1HB GLU 5 13.936 -0.653 2.601 38 HB3 GLU 5 2HB GLU 5 14.340 1.036 2.865 39 HG2 GLU 5 1HG GLU 5 15.457 0.677 4.815 40 HG3 GLU 5 2HG GLU 5 14.526 -0.730 5.288 41 H THR 6 H THR 6 10.463 -0.508 2.755 42 HA THR 6 HA THR 6 10.490 -3.154 3.772 43 HB THR 6 HB THR 6 7.843 -2.217 4.374 44 HG1 THR 6 1HG THR 6 8.693 -0.209 4.779 45 HG21 THR 6 3HG2 THR 6 10.067 -3.308 6.107 46 HG22 THR 6 1HG2 THR 6 8.784 -4.226 5.271 47 HG23 THR 6 2HG2 THR 6 8.374 -3.162 6.632 48 H THR 7 H THR 7 8.605 -4.277 2.818 49 HA THR 7 HA THR 7 8.464 -3.533 0.024 50 HB THR 7 HB THR 7 8.782 -5.839 0.990 51 HG1 THR 7 1HG THR 7 8.314 -6.042 -1.002 52 HG21 THR 7 3HG2 THR 7 6.853 -7.125 1.694 53 HG22 THR 7 1HG2 THR 7 5.798 -5.715 1.492 54 HG23 THR 7 2HG2 THR 7 7.045 -5.726 2.781 55 H TYR 8 H TYR 8 6.101 -4.312 -0.768 56 HA TYR 8 HA TYR 8 4.252 -2.089 -0.192 57 HB2 TYR 8 1HB TYR 8 3.850 -4.484 -2.001 58 HB3 TYR 8 2HB TYR 8 2.886 -3.030 -1.971 59 HD1 TYR 8 1HD TYR 8 4.914 -0.858 -1.936 60 HD2 TYR 8 2HD TYR 8 4.834 -4.590 -4.058 61 HE1 TYR 8 1HE TYR 8 6.137 0.203 -3.828 62 HE2 TYR 8 2HE TYR 8 6.141 -3.594 -5.893 63 HH TYR 8 HH TYR 8 7.349 -1.665 -6.625 64 H TYR 9 H TYR 9 4.442 -3.028 2.097 65 HA TYR 9 HA TYR 9 1.714 -3.895 2.641 66 HB2 TYR 9 1HB TYR 9 4.134 -5.437 3.651 67 HB3 TYR 9 2HB TYR 9 2.609 -5.399 4.529 68 HD1 TYR 9 2HD TYR 9 0.421 -5.866 2.966 69 HD2 TYR 9 1HD TYR 9 4.416 -7.344 2.237 70 HE1 TYR 9 2HE TYR 9 -0.510 -7.789 1.768 71 HE2 TYR 9 1HE TYR 9 3.495 -9.223 0.964 72 HH TYR 9 HH TYR 9 -0.003 -9.606 0.305 73 H ASP 10 H ASP 10 4.911 -3.229 4.275 74 HA ASP 10 HA ASP 10 3.580 -1.565 6.205 75 HB2 ASP 10 1HB ASP 10 6.232 -2.516 5.848 76 HB3 ASP 10 2HB ASP 10 6.354 -0.773 5.923 77 H VAL 11 H VAL 11 4.786 -0.877 2.956 78 HA VAL 11 HA VAL 11 4.740 1.937 3.191 79 HB VAL 11 HB VAL 11 4.037 0.107 0.844 80 HG11 VAL 11 1HG1 VAL 11 4.462 2.168 -0.583 81 HG12 VAL 11 2HG1 VAL 11 2.959 2.209 0.341 82 HG13 VAL 11 3HG1 VAL 11 4.381 3.125 0.904 83 HG21 VAL 11 3HG2 VAL 11 6.505 1.815 1.345 84 HG22 VAL 11 1HG2 VAL 11 6.430 0.058 1.594 85 HG23 VAL 11 2HG2 VAL 11 6.244 0.733 -0.028 86 H LEU 12 H LEU 12 2.186 -0.422 3.173 87 HA LEU 12 HA LEU 12 0.057 1.588 2.841 88 HB2 LEU 12 1HB LEU 12 0.100 -1.476 2.792 89 HB3 LEU 12 2HB LEU 12 -1.346 -0.515 2.613 90 HG LEU 12 HG LEU 12 0.972 -0.056 0.705 91 HD11 LEU 12 1HD1 LEU 12 0.060 -1.731 -0.825 92 HD12 LEU 12 2HD1 LEU 12 -1.145 -2.204 0.390 93 HD13 LEU 12 3HD1 LEU 12 0.585 -2.499 0.681 94 HD21 LEU 12 3HD2 LEU 12 -0.875 0.554 -0.803 95 HD22 LEU 12 1HD2 LEU 12 -0.919 1.494 0.704 96 HD23 LEU 12 2HD2 LEU 12 -2.064 0.159 0.454 97 H GLY 13 H GLY 13 1.894 0.730 5.341 98 HA2 GLY 13 1HA GLY 13 1.588 0.805 7.588 99 HA3 GLY 13 2HA GLY 13 0.004 1.525 7.274 100 H VAL 14 H VAL 14 0.788 -1.743 6.053 101 HA VAL 14 HA VAL 14 -0.832 -2.920 8.225 102 HB VAL 14 HB VAL 14 -2.076 -2.448 5.981 103 HG11 VAL 14 1HG1 VAL 14 -0.648 -5.001 5.138 104 HG12 VAL 14 2HG1 VAL 14 -1.968 -4.182 4.289 105 HG13 VAL 14 3HG1 VAL 14 -0.389 -3.391 4.438 106 HG21 VAL 14 3HG2 VAL 14 -2.140 -5.097 7.431 107 HG22 VAL 14 1HG2 VAL 14 -3.110 -3.653 7.733 108 HG23 VAL 14 2HG2 VAL 14 -3.368 -4.577 6.245 109 H LYS 15 H LYS 15 -0.030 -4.907 8.950 110 HA LYS 15 HA LYS 15 2.735 -5.345 8.365 111 HB2 LYS 15 1HB LYS 15 2.393 -7.479 9.756 112 HB3 LYS 15 2HB LYS 15 2.229 -5.897 10.497 113 HG2 LYS 15 1HG LYS 15 0.563 -7.357 11.364 114 HG3 LYS 15 2HG LYS 15 -0.230 -6.077 10.477 115 HD2 LYS 15 1HD LYS 15 -0.638 -7.511 8.608 116 HD3 LYS 15 2HD LYS 15 0.325 -8.832 9.284 117 HE2 LYS 15 1HE LYS 15 -2.216 -7.680 10.504 118 HE3 LYS 15 2HE LYS 15 -2.199 -9.094 9.469 119 HZ1 LYS 15 3HZ LYS 15 -2.234 -9.582 11.858 120 HZ2 LYS 15 1HZ LYS 15 -0.722 -8.963 12.043 121 HZ3 LYS 15 2HZ LYS 15 -0.968 -10.302 11.131 122 HA PRO 16 HA PRO 16 2.554 -7.721 4.772 123 HB2 PRO 16 1HB PRO 16 4.678 -9.501 4.917 124 HB3 PRO 16 2HB PRO 16 4.833 -7.746 4.593 125 HG2 PRO 16 1HG PRO 16 5.093 -9.176 7.241 126 HG3 PRO 16 2HG PRO 16 6.184 -7.933 6.544 127 HD2 PRO 16 1HD PRO 16 4.315 -7.257 8.373 128 HD3 PRO 16 2HD PRO 16 4.604 -6.196 6.965 129 H ASN 17 H ASN 17 2.211 -9.525 7.705 130 HA ASN 17 HA ASN 17 1.144 -11.915 6.386 131 HB2 ASN 17 1HB ASN 17 1.419 -10.984 9.238 132 HB3 ASN 17 2HB ASN 17 0.378 -12.333 8.844 133 HD21 ASN 17 1HD2 ASN 17 1.382 -14.227 9.008 134 HD22 ASN 17 2HD2 ASN 17 3.131 -14.392 9.080 135 H ALA 18 H ALA 18 -0.139 -8.886 6.275 136 HA ALA 18 HA ALA 18 -2.840 -9.206 7.117 137 HB1 ALA 18 1HB ALA 18 -1.640 -7.565 4.830 138 HB2 ALA 18 2HB ALA 18 -3.256 -7.343 5.545 139 HB3 ALA 18 3HB ALA 18 -1.817 -7.047 6.522 140 H THR 19 H THR 19 -4.667 -9.471 5.809 141 HA THR 19 HA THR 19 -4.381 -11.468 3.636 142 HB THR 19 HB THR 19 -6.974 -11.545 4.063 143 HG1 THR 19 1HG THR 19 -6.047 -10.455 6.492 144 HG21 THR 19 3HG2 THR 19 -6.648 -13.247 5.796 145 HG22 THR 19 1HG2 THR 19 -4.996 -12.656 6.096 146 HG23 THR 19 2HG2 THR 19 -5.410 -13.403 4.541 147 H GLN 20 H GLN 20 -6.270 -11.273 1.921 148 HA GLN 20 HA GLN 20 -5.402 -9.155 0.249 149 HB2 GLN 20 1HB GLN 20 -7.948 -10.704 -0.145 150 HB3 GLN 20 2HB GLN 20 -6.910 -9.997 -1.372 151 HG2 GLN 20 1HG GLN 20 -6.016 -12.345 0.354 152 HG3 GLN 20 2HG GLN 20 -6.969 -12.513 -1.093 153 HE21 GLN 20 1HE2 GLN 20 -3.815 -12.246 0.105 154 HE22 GLN 20 2HE2 GLN 20 -3.047 -12.311 -1.449 155 H GLU 21 H GLU 21 -8.199 -9.564 2.362 156 HA GLU 21 HA GLU 21 -9.620 -7.196 1.397 157 HB2 GLU 21 1HB GLU 21 -10.046 -9.444 3.368 158 HB3 GLU 21 2HB GLU 21 -10.909 -7.952 3.658 159 HG2 GLU 21 1HG GLU 21 -10.947 -9.470 1.015 160 HG3 GLU 21 2HG GLU 21 -12.172 -9.646 2.277 161 H GLU 22 H GLU 22 -7.594 -8.085 4.201 162 HA GLU 22 HA GLU 22 -8.068 -5.713 5.746 163 HB2 GLU 22 1HB GLU 22 -5.720 -7.628 5.543 164 HB3 GLU 22 2HB GLU 22 -5.771 -6.275 6.702 165 HG2 GLU 22 1HG GLU 22 -7.820 -7.173 7.714 166 HG3 GLU 22 2HG GLU 22 -7.830 -8.503 6.546 167 H LEU 23 H LEU 23 -5.802 -6.489 3.126 168 HA LEU 23 HA LEU 23 -4.365 -4.081 2.921 169 HB2 LEU 23 1HB LEU 23 -5.297 -6.223 1.034 170 HB3 LEU 23 2HB LEU 23 -4.796 -4.738 0.285 171 HG LEU 23 HG LEU 23 -3.035 -6.272 2.244 172 HD11 LEU 23 1HD1 LEU 23 -1.831 -7.049 0.174 173 HD12 LEU 23 2HD1 LEU 23 -3.097 -6.317 -0.811 174 HD13 LEU 23 3HD1 LEU 23 -3.480 -7.666 0.277 175 HD21 LEU 23 3HD2 LEU 23 -2.459 -4.054 0.218 176 HD22 LEU 23 1HD2 LEU 23 -1.235 -4.889 1.205 177 HD23 LEU 23 2HD2 LEU 23 -2.435 -3.866 1.980 178 H LYS 24 H LYS 24 -7.520 -4.876 1.331 179 HA LYS 24 HA LYS 24 -7.971 -2.271 0.319 180 HB2 LYS 24 1HB LYS 24 -9.217 -4.351 -0.334 181 HB3 LYS 24 2HB LYS 24 -10.085 -4.272 1.200 182 HG2 LYS 24 1HG LYS 24 -10.314 -1.660 0.029 183 HG3 LYS 24 2HG LYS 24 -10.529 -2.797 -1.289 184 HD2 LYS 24 1HD LYS 24 -12.090 -2.853 1.338 185 HD3 LYS 24 2HD LYS 24 -12.644 -2.127 -0.176 186 HE2 LYS 24 1HE LYS 24 -12.056 -4.500 -1.196 187 HE3 LYS 24 2HE LYS 24 -12.193 -5.046 0.482 188 HZ1 LYS 24 3HZ LYS 24 -14.277 -3.758 -1.166 189 HZ2 LYS 24 1HZ LYS 24 -14.444 -3.988 0.455 190 HZ3 LYS 24 2HZ LYS 24 -14.284 -5.277 -0.494 191 H LYS 25 H LYS 25 -9.089 -3.686 3.461 192 HA LYS 25 HA LYS 25 -10.505 -1.384 4.287 193 HB2 LYS 25 1HB LYS 25 -9.086 -3.460 6.011 194 HB3 LYS 25 2HB LYS 25 -10.057 -2.131 6.647 195 HG2 LYS 25 1HG LYS 25 -11.952 -3.024 5.083 196 HG3 LYS 25 2HG LYS 25 -10.988 -4.512 5.028 197 HD2 LYS 25 1HD LYS 25 -11.042 -4.528 7.572 198 HD3 LYS 25 2HD LYS 25 -12.115 -3.115 7.503 199 HE2 LYS 25 1HE LYS 25 -13.682 -4.491 6.050 200 HE3 LYS 25 2HE LYS 25 -12.666 -5.900 6.374 201 HZ1 LYS 25 3HZ LYS 25 -14.071 -4.307 8.432 202 HZ2 LYS 25 1HZ LYS 25 -13.234 -5.738 8.696 203 HZ3 LYS 25 2HZ LYS 25 -14.617 -5.701 7.821 204 H ALA 26 H ALA 26 -7.032 -2.179 4.872 205 HA ALA 26 HA ALA 26 -6.382 0.145 6.345 206 HB1 ALA 26 1HB ALA 26 -4.636 -1.486 4.436 207 HB2 ALA 26 2HB ALA 26 -4.050 -0.289 5.600 208 HB3 ALA 26 3HB ALA 26 -4.838 -1.764 6.179 209 H TYR 27 H TYR 27 -6.254 -0.446 2.802 210 HA TYR 27 HA TYR 27 -5.152 2.034 2.052 211 HB2 TYR 27 1HB TYR 27 -5.346 0.105 0.524 212 HB3 TYR 27 2HB TYR 27 -7.097 0.285 0.481 213 HD1 TYR 27 1HD TYR 27 -3.881 1.729 -0.512 214 HD2 TYR 27 2HD TYR 27 -8.138 2.217 -0.690 215 HE1 TYR 27 1HE TYR 27 -3.585 3.557 -2.187 216 HE2 TYR 27 2HE TYR 27 -7.874 4.004 -2.413 217 HH TYR 27 HH TYR 27 -4.859 4.733 -4.027 218 H ARG 28 H ARG 28 -8.613 1.046 2.197 219 HA ARG 28 HA ARG 28 -9.752 3.505 1.410 220 HB2 ARG 28 1HB ARG 28 -10.660 1.155 3.043 221 HB3 ARG 28 2HB ARG 28 -11.668 2.593 3.046 222 HG2 ARG 28 1HG ARG 28 -10.711 1.360 0.432 223 HG3 ARG 28 2HG ARG 28 -12.123 0.775 1.296 224 HD2 ARG 28 1HD ARG 28 -13.052 3.134 1.280 225 HD3 ARG 28 2HD ARG 28 -11.737 3.580 0.193 226 HE ARG 28 HE ARG 28 -13.894 1.578 -0.319 227 HH11 ARG 28 1HH1 ARG 28 -11.703 4.049 -1.726 228 HH12 ARG 28 2HH1 ARG 28 -12.199 3.690 -3.343 229 HH21 ARG 28 1HH2 ARG 28 -14.508 1.165 -2.435 230 HH22 ARG 28 2HH2 ARG 28 -13.815 2.071 -3.749 231 H LYS 29 H LYS 29 -8.455 2.604 4.585 232 HA LYS 29 HA LYS 29 -9.641 4.959 5.888 233 HB2 LYS 29 1HB LYS 29 -7.567 2.901 6.807 234 HB3 LYS 29 2HB LYS 29 -8.278 4.152 7.844 235 HG2 LYS 29 1HG LYS 29 -10.446 3.233 7.688 236 HG3 LYS 29 2HG LYS 29 -10.047 2.296 6.264 237 HD2 LYS 29 1HD LYS 29 -10.228 0.667 7.820 238 HD3 LYS 29 2HD LYS 29 -8.477 0.917 7.724 239 HE2 LYS 29 1HE LYS 29 -8.610 2.311 9.797 240 HE3 LYS 29 2HE LYS 29 -10.373 2.171 9.790 241 HZ1 LYS 29 3HZ LYS 29 -8.519 -0.100 10.067 242 HZ2 LYS 29 1HZ LYS 29 -10.169 -0.172 10.098 243 HZ3 LYS 29 2HZ LYS 29 -9.366 0.607 11.305 244 H LEU 30 H LEU 30 -6.415 3.853 4.972 245 HA LEU 30 HA LEU 30 -5.146 6.288 5.832 246 HB2 LEU 30 1HB LEU 30 -4.140 4.102 4.046 247 HB3 LEU 30 2HB LEU 30 -3.156 5.484 4.514 248 HG LEU 30 HG LEU 30 -4.346 3.429 6.419 249 HD11 LEU 30 1HD1 LEU 30 -2.022 2.746 6.720 250 HD12 LEU 30 2HD1 LEU 30 -1.463 4.009 5.600 251 HD13 LEU 30 3HD1 LEU 30 -2.454 2.670 5.008 252 HD21 LEU 30 3HD2 LEU 30 -2.749 5.964 7.010 253 HD22 LEU 30 1HD2 LEU 30 -2.857 4.602 8.136 254 HD23 LEU 30 2HD2 LEU 30 -4.309 5.484 7.685 255 H ALA 31 H ALA 31 -6.501 5.427 2.641 256 HA ALA 31 HA ALA 31 -5.365 7.532 1.134 257 HB1 ALA 31 1HB ALA 31 -6.708 5.761 0.113 258 HB2 ALA 31 2HB ALA 31 -8.147 6.272 1.025 259 HB3 ALA 31 3HB ALA 31 -7.463 7.329 -0.224 260 H LEU 32 H LEU 32 -8.386 7.577 3.108 261 HA LEU 32 HA LEU 32 -8.877 10.324 2.888 262 HB2 LEU 32 1HB LEU 32 -9.665 8.115 4.822 263 HB3 LEU 32 2HB LEU 32 -10.211 9.785 5.001 264 HG LEU 32 HG LEU 32 -11.259 9.806 2.929 265 HD11 LEU 32 1HD1 LEU 32 -11.660 7.840 1.463 266 HD12 LEU 32 2HD1 LEU 32 -10.286 7.055 2.262 267 HD13 LEU 32 3HD1 LEU 32 -10.064 8.570 1.365 268 HD21 LEU 32 3HD2 LEU 32 -12.595 8.939 4.765 269 HD22 LEU 32 1HD2 LEU 32 -11.925 7.294 4.535 270 HD23 LEU 32 2HD2 LEU 32 -13.030 8.002 3.349 271 H LYS 33 H LYS 33 -6.750 8.521 5.191 272 HA LYS 33 HA LYS 33 -6.486 10.642 7.067 273 HB2 LYS 33 1HB LYS 33 -5.834 8.302 7.553 274 HB3 LYS 33 2HB LYS 33 -4.552 8.382 6.327 275 HG2 LYS 33 1HG LYS 33 -3.378 10.083 7.507 276 HG3 LYS 33 2HG LYS 33 -4.707 10.286 8.659 277 HD2 LYS 33 1HD LYS 33 -4.278 7.843 9.353 278 HD3 LYS 33 2HD LYS 33 -2.730 7.986 8.471 279 HE2 LYS 33 1HE LYS 33 -2.062 9.901 9.814 280 HE3 LYS 33 2HE LYS 33 -3.697 10.043 10.461 281 HZ1 LYS 33 3HZ LYS 33 -1.738 7.979 11.127 282 HZ2 LYS 33 1HZ LYS 33 -3.356 7.930 11.612 283 HZ3 LYS 33 2HZ LYS 33 -2.373 9.140 12.095 284 H TYR 34 H TYR 34 -4.576 9.664 4.225 285 HA TYR 34 HA TYR 34 -2.876 12.059 4.391 286 HB2 TYR 34 1HB TYR 34 -2.812 9.570 2.646 287 HB3 TYR 34 2HB TYR 34 -1.585 10.821 2.653 288 HD1 TYR 34 1HD TYR 34 -0.677 11.419 5.186 289 HD2 TYR 34 2HD TYR 34 -2.311 7.639 3.925 290 HE1 TYR 34 1HE TYR 34 0.526 10.280 7.019 291 HE2 TYR 34 2HE TYR 34 -1.048 6.485 5.671 292 HH TYR 34 HH TYR 34 0.372 6.687 7.442 293 H HIS 35 H HIS 35 -5.910 11.970 3.373 294 HA HIS 35 HA HIS 35 -5.729 12.430 0.566 295 HB2 HIS 35 1HB HIS 35 -7.781 12.140 2.367 296 HB3 HIS 35 2HB HIS 35 -7.844 13.870 2.162 297 HD1 HIS 35 1HD HIS 35 -8.868 14.691 -0.313 298 HD2 HIS 35 2HD HIS 35 -8.287 10.558 0.285 299 HE1 HIS 35 1HE HIS 35 -10.079 13.570 -2.141 300 HA PRO 36 HA PRO 36 -3.732 16.344 0.855 301 HB2 PRO 36 1HB PRO 36 -4.335 17.561 -1.542 302 HB3 PRO 36 2HB PRO 36 -3.235 16.157 -1.376 303 HG2 PRO 36 1HG PRO 36 -6.167 16.137 -2.159 304 HG3 PRO 36 2HG PRO 36 -4.794 15.273 -2.927 305 HD2 PRO 36 1HD PRO 36 -6.471 14.081 -1.148 306 HD3 PRO 36 2HD PRO 36 -4.751 13.655 -1.208 307 H ASP 37 H ASP 37 -7.100 16.300 0.091 308 HA ASP 37 HA ASP 37 -8.016 18.890 0.577 309 HB2 ASP 37 1HB ASP 37 -9.230 16.924 -0.365 310 HB3 ASP 37 2HB ASP 37 -9.310 16.203 1.216 311 H LYS 38 H LYS 38 -7.319 16.299 3.033 312 HA LYS 38 HA LYS 38 -7.767 18.270 5.217 313 HB2 LYS 38 1HB LYS 38 -7.713 15.210 5.273 314 HB3 LYS 38 2HB LYS 38 -8.000 16.295 6.636 315 HG2 LYS 38 1HG LYS 38 -10.096 15.915 6.245 316 HG3 LYS 38 2HG LYS 38 -9.960 17.218 5.075 317 HD2 LYS 38 1HD LYS 38 -9.883 15.597 3.251 318 HD3 LYS 38 2HD LYS 38 -9.697 14.244 4.385 319 HE2 LYS 38 1HE LYS 38 -12.028 14.379 3.640 320 HE3 LYS 38 2HE LYS 38 -11.901 14.740 5.375 321 HZ1 LYS 38 3HZ LYS 38 -12.082 16.774 3.228 322 HZ2 LYS 38 1HZ LYS 38 -12.093 17.088 4.849 323 HZ3 LYS 38 2HZ LYS 38 -13.346 16.277 4.159 324 H ASN 39 H ASN 39 -5.231 17.413 3.371 325 HA ASN 39 HA ASN 39 -3.277 17.483 5.516 326 HB2 ASN 39 1HB ASN 39 -4.300 15.098 5.414 327 HB3 ASN 39 2HB ASN 39 -3.382 14.895 3.928 328 HD21 ASN 39 1HD2 ASN 39 -3.070 13.411 6.357 329 HD22 ASN 39 2HD2 ASN 39 -1.365 13.637 6.764 330 HA PRO 40 HA PRO 40 -2.084 18.799 1.140 331 HB2 PRO 40 1HB PRO 40 -1.149 21.329 1.849 332 HB3 PRO 40 2HB PRO 40 -2.792 20.985 1.248 333 HG2 PRO 40 1HG PRO 40 -1.846 21.403 4.064 334 HG3 PRO 40 2HG PRO 40 -3.386 21.900 3.295 335 HD2 PRO 40 1HD PRO 40 -3.087 19.701 4.936 336 HD3 PRO 40 2HD PRO 40 -4.344 19.801 3.667 337 H ASN 41 H ASN 41 -0.570 18.650 4.317 338 HA ASN 41 HA ASN 41 2.087 19.176 3.303 339 HB2 ASN 41 1HB ASN 41 1.050 19.113 5.844 340 HB3 ASN 41 2HB ASN 41 1.875 17.555 5.790 341 HD21 ASN 41 1HD2 ASN 41 2.232 20.998 5.969 342 HD22 ASN 41 2HD2 ASN 41 3.982 21.064 5.751 343 H GLU 42 H GLU 42 0.053 16.283 3.632 344 HA GLU 42 HA GLU 42 2.335 14.529 2.867 345 HB2 GLU 42 1HB GLU 42 -0.194 13.865 4.389 346 HB3 GLU 42 2HB GLU 42 1.072 12.729 3.951 347 HG2 GLU 42 1HG GLU 42 2.739 13.996 5.238 348 HG3 GLU 42 2HG GLU 42 1.510 15.153 5.758 349 H GLY 43 H GLY 43 0.139 16.109 1.160 350 HA2 GLY 43 1HA GLY 43 -1.418 14.270 -0.193 351 HA3 GLY 43 2HA GLY 43 -0.766 15.742 -0.917 352 H GLU 44 H GLU 44 2.097 14.928 -0.819 353 HA GLU 44 HA GLU 44 2.093 13.189 -3.172 354 HB2 GLU 44 1HB GLU 44 4.201 14.650 -1.611 355 HB3 GLU 44 2HB GLU 44 4.700 13.177 -2.446 356 HG2 GLU 44 1HG GLU 44 3.516 14.146 -4.540 357 HG3 GLU 44 2HG GLU 44 3.574 15.687 -3.693 358 H LYS 45 H LYS 45 2.317 12.620 0.272 359 HA LYS 45 HA LYS 45 3.714 10.103 0.184 360 HB2 LYS 45 1HB LYS 45 3.116 11.672 2.219 361 HB3 LYS 45 2HB LYS 45 1.569 10.818 2.208 362 HG2 LYS 45 1HG LYS 45 2.984 8.640 2.316 363 HG3 LYS 45 2HG LYS 45 4.346 9.692 2.730 364 HD2 LYS 45 1HD LYS 45 1.667 9.536 4.177 365 HD3 LYS 45 2HD LYS 45 3.127 8.719 4.725 366 HE2 LYS 45 1HE LYS 45 2.795 11.748 4.467 367 HE3 LYS 45 2HE LYS 45 2.573 10.831 5.956 368 HZ1 LYS 45 3HZ LYS 45 5.119 11.080 4.483 369 HZ2 LYS 45 1HZ LYS 45 4.865 10.141 5.820 370 HZ3 LYS 45 2HZ LYS 45 4.728 11.751 5.941 371 H PHE 46 H PHE 46 0.412 11.091 -0.431 372 HA PHE 46 HA PHE 46 -1.026 8.698 -0.369 373 HB2 PHE 46 1HB PHE 46 -1.559 11.203 -1.124 374 HB3 PHE 46 2HB PHE 46 -1.370 10.543 -2.722 375 HD1 PHE 46 1HD PHE 46 -2.727 7.777 -2.347 376 HD2 PHE 46 2HD PHE 46 -3.787 11.748 -1.043 377 HE1 PHE 46 1HE PHE 46 -5.104 7.162 -2.416 378 HE2 PHE 46 2HE PHE 46 -6.185 11.147 -1.217 379 HZ PHE 46 HZ PHE 46 -6.852 8.850 -1.864 380 H LYS 47 H LYS 47 1.198 9.927 -2.948 381 HA LYS 47 HA LYS 47 0.704 7.941 -4.805 382 HB2 LYS 47 1HB LYS 47 2.212 10.129 -4.866 383 HB3 LYS 47 2HB LYS 47 3.513 9.026 -4.399 384 HG2 LYS 47 1HG LYS 47 2.801 7.573 -6.414 385 HG3 LYS 47 2HG LYS 47 1.648 8.873 -6.772 386 HD2 LYS 47 1HD LYS 47 3.595 9.070 -8.227 387 HD3 LYS 47 2HD LYS 47 3.525 10.444 -7.136 388 HE2 LYS 47 1HE LYS 47 5.176 9.134 -5.631 389 HE3 LYS 47 2HE LYS 47 5.363 8.027 -7.005 390 HZ1 LYS 47 3HZ LYS 47 7.053 9.587 -7.213 391 HZ2 LYS 47 1HZ LYS 47 6.113 10.860 -6.807 392 HZ3 LYS 47 2HZ LYS 47 5.937 10.132 -8.286 393 H GLN 48 H GLN 48 2.963 7.737 -1.976 394 HA GLN 48 HA GLN 48 4.152 5.265 -2.798 395 HB2 GLN 48 1HB GLN 48 3.777 6.717 -0.159 396 HB3 GLN 48 2HB GLN 48 4.328 5.066 -0.145 397 HG2 GLN 48 1HG GLN 48 5.777 7.148 -1.787 398 HG3 GLN 48 2HG GLN 48 6.077 6.951 -0.063 399 HE21 GLN 48 1HE2 GLN 48 8.159 5.987 -0.013 400 HE22 GLN 48 2HE2 GLN 48 8.460 4.416 -0.746 401 H ILE 49 H ILE 49 1.080 6.068 -1.276 402 HA ILE 49 HA ILE 49 0.459 3.384 -0.367 403 HB ILE 49 HB ILE 49 -1.621 5.506 -0.967 404 HG12 ILE 49 1HG1 ILE 49 -0.033 5.447 1.631 405 HG13 ILE 49 2HG1 ILE 49 0.123 6.666 0.363 406 HG21 ILE 49 1HG2 ILE 49 -1.550 3.562 1.354 407 HG22 ILE 49 2HG2 ILE 49 -2.942 4.432 0.673 408 HG23 ILE 49 3HG2 ILE 49 -2.190 3.131 -0.245 409 HD11 ILE 49 3HD1 ILE 49 -1.326 7.653 1.889 410 HD12 ILE 49 1HD1 ILE 49 -2.398 7.076 0.595 411 HD13 ILE 49 2HD1 ILE 49 -2.281 6.167 2.116 412 H SER 50 H SER 50 -0.699 5.468 -3.108 413 HA SER 50 HA SER 50 -2.391 3.363 -4.043 414 HB2 SER 50 1HB SER 50 -2.499 5.958 -4.269 415 HB3 SER 50 2HB SER 50 -1.751 5.560 -5.837 416 HG SER 50 HG SER 50 -3.844 5.393 -6.253 417 H GLN 51 H GLN 51 0.892 4.330 -4.900 418 HA GLN 51 HA GLN 51 1.375 2.635 -7.147 419 HB2 GLN 51 1HB GLN 51 2.737 4.532 -6.229 420 HB3 GLN 51 2HB GLN 51 3.222 3.501 -4.887 421 HG2 GLN 51 1HG GLN 51 3.847 3.191 -7.831 422 HG3 GLN 51 2HG GLN 51 4.928 3.672 -6.573 423 HE21 GLN 51 1HE2 GLN 51 5.588 1.951 -5.073 424 HE22 GLN 51 2HE2 GLN 51 5.778 0.361 -5.827 425 H ALA 52 H ALA 52 1.985 2.075 -3.582 426 HA ALA 52 HA ALA 52 2.769 -0.602 -3.944 427 HB1 ALA 52 1HB ALA 52 2.302 -0.803 -1.491 428 HB2 ALA 52 2HB ALA 52 3.198 0.677 -1.894 429 HB3 ALA 52 3HB ALA 52 1.462 0.760 -1.540 430 H TYR 53 H TYR 53 -0.490 0.733 -3.357 431 HA TYR 53 HA TYR 53 -1.794 -1.776 -3.052 432 HB2 TYR 53 1HB TYR 53 -2.638 0.565 -2.467 433 HB3 TYR 53 2HB TYR 53 -3.023 0.778 -4.166 434 HD1 TYR 53 2HD TYR 53 -3.711 -1.287 -1.117 435 HD2 TYR 53 1HD TYR 53 -5.035 -0.225 -5.092 436 HE1 TYR 53 2HE TYR 53 -5.844 -2.453 -0.706 437 HE2 TYR 53 1HE TYR 53 -7.188 -1.401 -4.682 438 HH TYR 53 HH TYR 53 -7.903 -3.458 -2.946 439 H GLU 54 H GLU 54 -0.701 -0.098 -5.989 440 HA GLU 54 HA GLU 54 -2.455 -1.355 -7.892 441 HB2 GLU 54 1HB GLU 54 -1.101 0.769 -8.210 442 HB3 GLU 54 2HB GLU 54 0.356 -0.214 -8.212 443 HG2 GLU 54 1HG GLU 54 -0.184 0.376 -10.440 444 HG3 GLU 54 2HG GLU 54 -0.306 -1.359 -10.230 445 H VAL 55 H VAL 55 0.696 -2.186 -6.444 446 HA VAL 55 HA VAL 55 1.240 -4.342 -8.282 447 HB VAL 55 HB VAL 55 2.402 -3.803 -5.522 448 HG11 VAL 55 1HG1 VAL 55 3.017 -6.035 -6.346 449 HG12 VAL 55 2HG1 VAL 55 3.459 -5.369 -7.932 450 HG13 VAL 55 3HG1 VAL 55 4.412 -4.979 -6.490 451 HG21 VAL 55 3HG2 VAL 55 4.217 -2.621 -6.905 452 HG22 VAL 55 1HG2 VAL 55 3.129 -2.709 -8.288 453 HG23 VAL 55 2HG2 VAL 55 2.689 -1.779 -6.841 454 H LEU 56 H LEU 56 -0.638 -4.006 -5.497 455 HA LEU 56 HA LEU 56 -1.072 -6.939 -5.184 456 HB2 LEU 56 1HB LEU 56 -2.058 -4.713 -3.395 457 HB3 LEU 56 2HB LEU 56 -1.929 -6.432 -3.001 458 HG LEU 56 HG LEU 56 0.452 -4.593 -3.553 459 HD11 LEU 56 1HD1 LEU 56 -0.958 -4.044 -1.504 460 HD12 LEU 56 2HD1 LEU 56 0.766 -4.266 -1.323 461 HD13 LEU 56 3HD1 LEU 56 -0.319 -5.567 -0.814 462 HD21 LEU 56 3HD2 LEU 56 1.011 -6.940 -3.977 463 HD22 LEU 56 1HD2 LEU 56 0.391 -7.394 -2.369 464 HD23 LEU 56 2HD2 LEU 56 1.811 -6.333 -2.529 465 H SER 57 H SER 57 -2.640 -4.466 -6.956 466 HA SER 57 HA SER 57 -5.347 -5.352 -6.252 467 HB2 SER 57 1HB SER 57 -6.023 -3.805 -8.029 468 HB3 SER 57 2HB SER 57 -5.091 -3.041 -6.739 469 HG SER 57 HG SER 57 -4.646 -2.901 -9.289 470 H ASP 58 H ASP 58 -3.252 -5.422 -9.104 471 HA ASP 58 HA ASP 58 -4.768 -7.426 -10.551 472 HB2 ASP 58 1HB ASP 58 -2.737 -5.695 -11.230 473 HB3 ASP 58 2HB ASP 58 -1.832 -7.138 -10.986 474 H ALA 59 H ALA 59 -4.863 -9.522 -9.915 475 HA ALA 59 HA ALA 59 -3.328 -10.719 -7.828 476 HB1 ALA 59 1HB ALA 59 -4.884 -11.900 -10.174 477 HB2 ALA 59 2HB ALA 59 -4.205 -12.825 -8.840 478 HB3 ALA 59 3HB ALA 59 -5.481 -11.633 -8.520 479 H LYS 60 H LYS 60 -2.917 -10.464 -11.334 480 HA LYS 60 HA LYS 60 -0.640 -12.199 -11.537 481 HB2 LYS 60 1HB LYS 60 -2.368 -11.725 -13.246 482 HB3 LYS 60 2HB LYS 60 -1.761 -10.089 -13.436 483 HG2 LYS 60 1HG LYS 60 -0.065 -12.589 -13.936 484 HG3 LYS 60 2HG LYS 60 -1.156 -11.880 -15.122 485 HD2 LYS 60 1HD LYS 60 0.326 -9.661 -14.409 486 HD3 LYS 60 2HD LYS 60 1.531 -10.955 -14.278 487 HE2 LYS 60 1HE LYS 60 1.165 -11.658 -16.550 488 HE3 LYS 60 2HE LYS 60 -0.325 -10.704 -16.681 489 HZ1 LYS 60 3HZ LYS 60 0.950 -8.703 -16.665 490 HZ2 LYS 60 1HZ LYS 60 1.563 -9.721 -17.814 491 HZ3 LYS 60 2HZ LYS 60 2.354 -9.517 -16.396 492 H LYS 61 H LYS 61 -0.907 -8.655 -10.881 493 HA LYS 61 HA LYS 61 1.951 -8.147 -11.152 494 HB2 LYS 61 1HB LYS 61 -0.211 -6.832 -9.460 495 HB3 LYS 61 2HB LYS 61 1.463 -6.350 -9.419 496 HG2 LYS 61 1HG LYS 61 0.372 -6.400 -12.164 497 HG3 LYS 61 2HG LYS 61 -0.428 -5.310 -11.042 498 HD2 LYS 61 1HD LYS 61 1.829 -4.404 -10.348 499 HD3 LYS 61 2HD LYS 61 2.551 -5.322 -11.670 500 HE2 LYS 61 1HE LYS 61 0.297 -3.339 -11.906 501 HE3 LYS 61 2HE LYS 61 2.006 -2.884 -12.107 502 HZ1 LYS 61 3HZ LYS 61 0.378 -4.535 -13.905 503 HZ2 LYS 61 1HZ LYS 61 2.034 -4.639 -13.914 504 HZ3 LYS 61 2HZ LYS 61 1.298 -3.226 -14.245 505 H ARG 62 H ARG 62 -0.224 -8.828 -8.407 506 HA ARG 62 HA ARG 62 1.808 -9.170 -6.545 507 HB2 ARG 62 1HB ARG 62 -0.694 -9.118 -6.046 508 HB3 ARG 62 2HB ARG 62 -0.681 -10.862 -6.377 509 HG2 ARG 62 1HG ARG 62 1.260 -10.948 -4.608 510 HG3 ARG 62 2HG ARG 62 0.773 -9.319 -4.183 511 HD2 ARG 62 1HD ARG 62 -0.963 -11.824 -4.054 512 HD3 ARG 62 2HD ARG 62 -0.069 -11.118 -2.720 513 HE ARG 62 HE ARG 62 -1.529 -9.416 -2.516 514 HH11 ARG 62 1HH1 ARG 62 -2.459 -11.385 -5.394 515 HH12 ARG 62 2HH1 ARG 62 -3.939 -10.479 -5.619 516 HH21 ARG 62 1HH2 ARG 62 -3.806 -8.542 -2.742 517 HH22 ARG 62 2HH2 ARG 62 -4.675 -9.065 -4.131 518 H GLU 63 H GLU 63 0.565 -11.671 -8.765 519 HA GLU 63 HA GLU 63 1.711 -13.935 -7.714 520 HB2 GLU 63 1HB GLU 63 0.111 -13.839 -9.553 521 HB3 GLU 63 2HB GLU 63 1.340 -13.177 -10.641 522 HG2 GLU 63 1HG GLU 63 2.508 -15.220 -10.747 523 HG3 GLU 63 2HG GLU 63 1.737 -15.857 -9.284 524 H LEU 64 H LEU 64 3.430 -11.413 -9.552 525 HA LEU 64 HA LEU 64 5.866 -13.118 -9.617 526 HB2 LEU 64 1HB LEU 64 5.167 -10.405 -10.777 527 HB3 LEU 64 2HB LEU 64 6.843 -10.913 -10.632 528 HG LEU 64 HG LEU 64 5.903 -11.311 -12.865 529 HD11 LEU 64 1HD1 LEU 64 6.656 -13.926 -11.498 530 HD12 LEU 64 2HD1 LEU 64 7.810 -12.683 -12.023 531 HD13 LEU 64 3HD1 LEU 64 6.806 -13.529 -13.211 532 HD21 LEU 64 3HD2 LEU 64 4.193 -13.483 -11.631 533 HD22 LEU 64 1HD2 LEU 64 4.302 -13.036 -13.339 534 HD23 LEU 64 2HD2 LEU 64 3.593 -11.899 -12.177 535 H TYR 65 H TYR 65 4.764 -10.088 -8.139 536 HA TYR 65 HA TYR 65 6.847 -9.302 -6.465 537 HB2 TYR 65 1HB TYR 65 4.931 -7.986 -6.684 538 HB3 TYR 65 2HB TYR 65 3.863 -9.294 -6.280 539 HD1 TYR 65 2HD TYR 65 6.372 -6.983 -4.835 540 HD2 TYR 65 1HD TYR 65 3.158 -9.730 -4.054 541 HE1 TYR 65 2HE TYR 65 6.148 -6.072 -2.548 542 HE2 TYR 65 1HE TYR 65 2.861 -8.801 -1.785 543 HH TYR 65 HH TYR 65 3.486 -6.875 -0.367 544 H ASP 66 H ASP 66 4.500 -11.932 -5.967 545 HA ASP 66 HA ASP 66 4.934 -12.744 -3.403 546 HB2 ASP 66 1HB ASP 66 3.306 -13.664 -5.006 547 HB3 ASP 66 2HB ASP 66 4.609 -14.489 -5.876 548 H LYS 67 H LYS 67 6.905 -13.707 -6.222 549 HA LYS 67 HA LYS 67 8.851 -15.056 -4.376 550 HB2 LYS 67 1HB LYS 67 8.899 -16.949 -5.854 551 HB3 LYS 67 2HB LYS 67 7.232 -16.655 -5.359 552 HG2 LYS 67 1HG LYS 67 6.713 -15.612 -7.533 553 HG3 LYS 67 2HG LYS 67 8.418 -15.689 -8.000 554 HD2 LYS 67 1HD LYS 67 8.282 -18.210 -7.787 555 HD3 LYS 67 2HD LYS 67 6.517 -18.017 -7.646 556 HE2 LYS 67 1HE LYS 67 6.505 -16.791 -9.820 557 HE3 LYS 67 2HE LYS 67 8.264 -16.941 -9.914 558 HZ1 LYS 67 3HZ LYS 67 6.346 -19.172 -10.014 559 HZ2 LYS 67 1HZ LYS 67 7.970 -19.350 -9.984 560 HZ3 LYS 67 2HZ LYS 67 7.261 -18.578 -11.260 561 H GLY 68 H GLY 68 8.569 -12.854 -6.968 562 HA2 GLY 68 1HA GLY 68 11.381 -13.320 -7.854 563 HA3 GLY 68 2HA GLY 68 10.040 -13.128 -8.982 564 H GLY 69 H GLY 69 8.607 -10.928 -7.825 565 HA2 GLY 69 1HA GLY 69 8.606 -8.749 -7.264 566 HA3 GLY 69 2HA GLY 69 10.206 -9.000 -6.569 567 H GLU 70 H GLU 70 11.016 -9.735 -9.541 568 HA GLU 70 HA GLU 70 11.036 -7.183 -10.899 569 HB2 GLU 70 1HB GLU 70 12.746 -7.406 -8.801 570 HB3 GLU 70 2HB GLU 70 13.751 -8.167 -10.024 571 HG2 GLU 70 1HG GLU 70 12.475 -5.397 -10.140 572 HG3 GLU 70 2HG GLU 70 14.190 -5.766 -9.976 573 H GLN 71 H GLN 71 10.184 -9.897 -11.441 574 HA GLN 71 HA GLN 71 10.048 -11.144 -13.429 575 HB2 GLN 71 1HB GLN 71 12.248 -9.437 -14.632 576 HB3 GLN 71 2HB GLN 71 10.987 -10.318 -15.465 577 HG2 GLN 71 1HG GLN 71 9.311 -8.722 -14.828 578 HG3 GLN 71 2HG GLN 71 10.343 -7.956 -13.632 579 HE21 GLN 71 1HE2 GLN 71 12.000 -6.491 -14.294 580 HE22 GLN 71 2HE2 GLN 71 12.092 -5.911 -15.947 Start of MODEL 8 1 H1 GLY 1 H GLY 1 16.074 5.433 15.013 2 HA2 GLY 1 1HA GLY 1 18.237 4.048 13.540 3 HA3 GLY 1 2HA GLY 1 16.639 3.357 13.911 4 H MET 2 H MET 2 17.376 3.219 11.347 5 HA MET 2 HA MET 2 15.855 5.316 9.911 6 HB2 MET 2 1HB MET 2 17.628 5.424 8.255 7 HB3 MET 2 2HB MET 2 18.179 5.985 9.821 8 HG2 MET 2 1HG MET 2 18.756 3.197 8.745 9 HG3 MET 2 2HG MET 2 19.790 4.572 8.476 10 HE1 MET 2 3HE MET 2 21.413 5.596 10.049 11 HE2 MET 2 1HE MET 2 22.247 4.473 11.145 12 HE3 MET 2 2HE MET 2 21.998 4.030 9.448 13 H VAL 3 H VAL 3 14.898 2.721 10.714 14 HA VAL 3 HA VAL 3 14.996 0.977 8.365 15 HB VAL 3 HB VAL 3 12.935 1.000 10.599 16 HG11 VAL 3 1HG1 VAL 3 13.871 -1.181 8.664 17 HG12 VAL 3 2HG1 VAL 3 12.674 -1.382 9.957 18 HG13 VAL 3 3HG1 VAL 3 12.321 -0.316 8.592 19 HG21 VAL 3 3HG2 VAL 3 15.600 -0.481 10.504 20 HG22 VAL 3 1HG2 VAL 3 15.100 0.742 11.692 21 HG23 VAL 3 2HG2 VAL 3 14.285 -0.823 11.646 22 H LYS 4 H LYS 4 14.306 1.936 6.537 23 HA LYS 4 HA LYS 4 11.583 3.027 6.415 24 HB2 LYS 4 1HB LYS 4 12.208 5.097 5.346 25 HB3 LYS 4 2HB LYS 4 12.941 4.964 6.933 26 HG2 LYS 4 1HG LYS 4 15.006 4.011 5.356 27 HG3 LYS 4 2HG LYS 4 14.207 5.134 4.252 28 HD2 LYS 4 1HD LYS 4 14.253 6.709 6.446 29 HD3 LYS 4 2HD LYS 4 15.578 5.641 6.889 30 HE2 LYS 4 1HE LYS 4 16.726 7.313 5.807 31 HE3 LYS 4 2HE LYS 4 16.453 6.215 4.443 32 HZ1 LYS 4 3HZ LYS 4 15.864 8.556 3.944 33 HZ2 LYS 4 1HZ LYS 4 14.790 8.568 5.149 34 HZ3 LYS 4 2HZ LYS 4 14.524 7.605 3.843 35 H GLU 5 H GLU 5 12.862 0.599 5.607 36 HA GLU 5 HA GLU 5 12.239 0.576 2.764 37 HB2 GLU 5 1HB GLU 5 14.162 -0.998 2.410 38 HB3 GLU 5 2HB GLU 5 14.575 0.708 2.549 39 HG2 GLU 5 1HG GLU 5 15.741 0.464 4.501 40 HG3 GLU 5 2HG GLU 5 14.764 -0.865 5.103 41 H THR 6 H THR 6 10.551 -0.795 2.736 42 HA THR 6 HA THR 6 10.896 -3.431 3.622 43 HB THR 6 HB THR 6 8.160 -2.652 4.253 44 HG1 THR 6 1HG THR 6 8.876 -0.814 5.020 45 HG21 THR 6 3HG2 THR 6 8.610 -3.965 6.316 46 HG22 THR 6 1HG2 THR 6 10.330 -4.000 5.854 47 HG23 THR 6 2HG2 THR 6 9.096 -4.802 4.836 48 H THR 7 H THR 7 9.176 -4.718 2.436 49 HA THR 7 HA THR 7 8.564 -3.694 -0.134 50 HB THR 7 HB THR 7 8.911 -6.057 0.554 51 HG1 THR 7 1HG THR 7 8.220 -6.154 -1.323 52 HG21 THR 7 3HG2 THR 7 7.084 -7.402 1.365 53 HG22 THR 7 1HG2 THR 7 6.002 -5.998 1.425 54 HG23 THR 7 2HG2 THR 7 7.383 -6.093 2.531 55 H TYR 8 H TYR 8 6.292 -4.114 -0.859 56 HA TYR 8 HA TYR 8 4.857 -1.749 -0.462 57 HB2 TYR 8 1HB TYR 8 3.965 -4.442 -1.552 58 HB3 TYR 8 2HB TYR 8 3.029 -2.973 -1.775 59 HD1 TYR 8 2HD TYR 8 5.349 -1.010 -2.450 60 HD2 TYR 8 1HD TYR 8 4.409 -5.022 -3.745 61 HE1 TYR 8 2HE TYR 8 6.562 -0.612 -4.547 62 HE2 TYR 8 1HE TYR 8 5.812 -4.702 -5.747 63 HH TYR 8 HH TYR 8 7.622 -1.736 -6.419 64 H TYR 9 H TYR 9 4.352 -4.817 1.221 65 HA TYR 9 HA TYR 9 1.817 -4.322 2.385 66 HB2 TYR 9 1HB TYR 9 4.266 -5.913 3.254 67 HB3 TYR 9 2HB TYR 9 2.819 -5.831 4.251 68 HD1 TYR 9 1HD TYR 9 0.521 -6.308 3.029 69 HD2 TYR 9 2HD TYR 9 4.376 -7.747 1.719 70 HE1 TYR 9 1HE TYR 9 -0.571 -8.213 1.880 71 HE2 TYR 9 2HE TYR 9 3.295 -9.593 0.531 72 HH TYR 9 HH TYR 9 -0.274 -9.880 0.303 73 H ASP 10 H ASP 10 5.067 -3.684 3.827 74 HA ASP 10 HA ASP 10 3.876 -2.410 6.129 75 HB2 ASP 10 1HB ASP 10 6.456 -3.369 5.330 76 HB3 ASP 10 2HB ASP 10 6.637 -1.701 5.860 77 H VAL 11 H VAL 11 4.950 -1.251 2.985 78 HA VAL 11 HA VAL 11 5.061 1.540 3.610 79 HB VAL 11 HB VAL 11 4.225 0.070 1.068 80 HG11 VAL 11 1HG1 VAL 11 3.088 2.092 0.772 81 HG12 VAL 11 2HG1 VAL 11 4.386 3.052 1.559 82 HG13 VAL 11 3HG1 VAL 11 4.618 2.354 -0.043 83 HG21 VAL 11 3HG2 VAL 11 6.380 0.839 0.185 84 HG22 VAL 11 1HG2 VAL 11 6.746 1.617 1.738 85 HG23 VAL 11 2HG2 VAL 11 6.598 -0.159 1.621 86 H LEU 12 H LEU 12 2.379 -0.695 2.865 87 HA LEU 12 HA LEU 12 0.379 1.392 3.180 88 HB2 LEU 12 1HB LEU 12 0.232 -1.621 2.770 89 HB3 LEU 12 2HB LEU 12 -1.186 -0.593 2.873 90 HG LEU 12 HG LEU 12 1.014 -0.108 0.833 91 HD11 LEU 12 1HD1 LEU 12 -1.566 -1.669 0.438 92 HD12 LEU 12 2HD1 LEU 12 0.067 -2.383 0.524 93 HD13 LEU 12 3HD1 LEU 12 -0.365 -1.301 -0.804 94 HD21 LEU 12 3HD2 LEU 12 -0.457 1.807 1.210 95 HD22 LEU 12 1HD2 LEU 12 -1.893 0.789 0.978 96 HD23 LEU 12 2HD2 LEU 12 -0.781 1.091 -0.372 97 H GLY 13 H GLY 13 2.234 -0.071 5.491 98 HA2 GLY 13 1HA GLY 13 1.993 -0.182 7.772 99 HA3 GLY 13 2HA GLY 13 0.537 0.822 7.601 100 H VAL 14 H VAL 14 0.827 -2.324 5.955 101 HA VAL 14 HA VAL 14 -0.995 -3.525 7.948 102 HB VAL 14 HB VAL 14 -2.128 -2.677 5.823 103 HG11 VAL 14 1HG1 VAL 14 -0.466 -3.472 4.168 104 HG12 VAL 14 2HG1 VAL 14 -0.892 -5.144 4.571 105 HG13 VAL 14 3HG1 VAL 14 -2.108 -4.067 3.848 106 HG21 VAL 14 3HG2 VAL 14 -2.391 -5.505 6.846 107 HG22 VAL 14 1HG2 VAL 14 -3.319 -4.080 7.291 108 HG23 VAL 14 2HG2 VAL 14 -3.538 -4.785 5.687 109 H LYS 15 H LYS 15 -0.127 -5.300 8.755 110 HA LYS 15 HA LYS 15 2.427 -6.100 8.267 111 HB2 LYS 15 1HB LYS 15 1.735 -8.316 9.398 112 HB3 LYS 15 2HB LYS 15 1.648 -6.805 10.275 113 HG2 LYS 15 1HG LYS 15 -0.236 -8.245 10.741 114 HG3 LYS 15 2HG LYS 15 -0.772 -6.719 10.052 115 HD2 LYS 15 1HD LYS 15 -1.240 -7.722 7.947 116 HD3 LYS 15 2HD LYS 15 -0.367 -9.198 8.363 117 HE2 LYS 15 1HE LYS 15 -2.722 -9.702 8.429 118 HE3 LYS 15 2HE LYS 15 -2.033 -9.799 10.053 119 HZ1 LYS 15 3HZ LYS 15 -4.152 -8.701 10.052 120 HZ2 LYS 15 1HZ LYS 15 -3.694 -7.555 9.026 121 HZ3 LYS 15 2HZ LYS 15 -3.013 -7.629 10.527 122 HA PRO 16 HA PRO 16 2.594 -8.265 4.538 123 HB2 PRO 16 1HB PRO 16 4.605 -10.101 4.805 124 HB3 PRO 16 2HB PRO 16 4.865 -8.318 4.789 125 HG2 PRO 16 1HG PRO 16 4.587 -10.115 7.217 126 HG3 PRO 16 2HG PRO 16 5.888 -8.930 6.864 127 HD2 PRO 16 1HD PRO 16 3.795 -8.251 8.428 128 HD3 PRO 16 2HD PRO 16 4.423 -7.087 7.224 129 H ASN 17 H ASN 17 1.603 -10.030 7.291 130 HA ASN 17 HA ASN 17 0.680 -12.372 5.808 131 HB2 ASN 17 1HB ASN 17 0.311 -11.423 8.661 132 HB3 ASN 17 2HB ASN 17 -0.537 -12.827 8.004 133 HD21 ASN 17 1HD2 ASN 17 0.618 -14.808 7.714 134 HD22 ASN 17 2HD2 ASN 17 2.320 -14.934 8.088 135 H ALA 18 H ALA 18 -0.367 -9.220 5.578 136 HA ALA 18 HA ALA 18 -3.198 -9.432 5.867 137 HB1 ALA 18 1HB ALA 18 -3.225 -7.362 4.517 138 HB2 ALA 18 2HB ALA 18 -1.971 -7.297 5.771 139 HB3 ALA 18 3HB ALA 18 -1.519 -7.611 4.089 140 H THR 19 H THR 19 -4.798 -10.076 4.458 141 HA THR 19 HA THR 19 -4.126 -11.410 1.951 142 HB THR 19 HB THR 19 -6.711 -11.839 2.327 143 HG1 THR 19 1HG THR 19 -7.500 -11.505 4.179 144 HG21 THR 19 3HG2 THR 19 -6.205 -13.702 3.889 145 HG22 THR 19 1HG2 THR 19 -4.708 -12.898 4.401 146 HG23 THR 19 2HG2 THR 19 -4.842 -13.555 2.767 147 H GLN 20 H GLN 20 -5.961 -10.951 0.172 148 HA GLN 20 HA GLN 20 -5.524 -8.308 -0.733 149 HB2 GLN 20 1HB GLN 20 -7.743 -10.228 -1.514 150 HB3 GLN 20 2HB GLN 20 -7.218 -8.861 -2.474 151 HG2 GLN 20 1HG GLN 20 -5.319 -11.145 -1.796 152 HG3 GLN 20 2HG GLN 20 -6.446 -11.230 -3.140 153 HE21 GLN 20 1HE2 GLN 20 -5.226 -7.971 -2.638 154 HE22 GLN 20 2HE2 GLN 20 -4.031 -8.093 -3.886 155 H GLU 21 H GLU 21 -8.185 -9.668 1.145 156 HA GLU 21 HA GLU 21 -10.025 -7.492 0.913 157 HB2 GLU 21 1HB GLU 21 -9.574 -9.596 3.091 158 HB3 GLU 21 2HB GLU 21 -10.950 -8.510 3.037 159 HG2 GLU 21 1HG GLU 21 -11.584 -10.697 2.144 160 HG3 GLU 21 2HG GLU 21 -11.676 -9.449 0.898 161 H GLU 22 H GLU 22 -7.521 -8.373 3.187 162 HA GLU 22 HA GLU 22 -7.827 -6.238 5.041 163 HB2 GLU 22 1HB GLU 22 -5.576 -8.196 4.479 164 HB3 GLU 22 2HB GLU 22 -5.588 -7.103 5.856 165 HG2 GLU 22 1HG GLU 22 -7.702 -9.227 5.239 166 HG3 GLU 22 2HG GLU 22 -6.366 -9.406 6.380 167 H LEU 23 H LEU 23 -5.722 -6.651 2.172 168 HA LEU 23 HA LEU 23 -4.305 -4.257 2.293 169 HB2 LEU 23 1HB LEU 23 -5.353 -6.070 0.146 170 HB3 LEU 23 2HB LEU 23 -5.026 -4.437 -0.371 171 HG LEU 23 HG LEU 23 -3.218 -5.924 -0.795 172 HD11 LEU 23 1HD1 LEU 23 -2.550 -3.753 1.249 173 HD12 LEU 23 2HD1 LEU 23 -2.636 -3.589 -0.526 174 HD13 LEU 23 3HD1 LEU 23 -1.372 -4.549 0.249 175 HD21 LEU 23 3HD2 LEU 23 -2.869 -6.232 2.187 176 HD22 LEU 23 1HD2 LEU 23 -1.723 -6.716 0.914 177 HD23 LEU 23 2HD2 LEU 23 -3.290 -7.497 0.997 178 H LYS 24 H LYS 24 -7.528 -4.765 0.722 179 HA LYS 24 HA LYS 24 -7.966 -1.996 0.317 180 HB2 LYS 24 1HB LYS 24 -9.137 -3.799 -0.867 181 HB3 LYS 24 2HB LYS 24 -10.040 -4.195 0.598 182 HG2 LYS 24 1HG LYS 24 -11.039 -1.918 0.589 183 HG3 LYS 24 2HG LYS 24 -10.074 -1.502 -0.836 184 HD2 LYS 24 1HD LYS 24 -11.265 -3.287 -2.130 185 HD3 LYS 24 2HD LYS 24 -12.258 -3.628 -0.682 186 HE2 LYS 24 1HE LYS 24 -12.902 -1.191 -0.648 187 HE3 LYS 24 2HE LYS 24 -12.041 -0.966 -2.172 188 HZ1 LYS 24 3HZ LYS 24 -13.632 -2.472 -3.215 189 HZ2 LYS 24 1HZ LYS 24 -14.363 -1.223 -2.495 190 HZ3 LYS 24 2HZ LYS 24 -14.431 -2.679 -1.758 191 H LYS 25 H LYS 25 -8.698 -4.015 3.195 192 HA LYS 25 HA LYS 25 -10.203 -2.017 4.536 193 HB2 LYS 25 1HB LYS 25 -8.586 -4.333 5.608 194 HB3 LYS 25 2HB LYS 25 -9.346 -3.181 6.686 195 HG2 LYS 25 1HG LYS 25 -11.307 -3.932 4.721 196 HG3 LYS 25 2HG LYS 25 -10.565 -5.415 5.283 197 HD2 LYS 25 1HD LYS 25 -11.511 -3.367 7.325 198 HD3 LYS 25 2HD LYS 25 -12.687 -4.318 6.447 199 HE2 LYS 25 1HE LYS 25 -12.243 -5.392 8.552 200 HE3 LYS 25 2HE LYS 25 -11.713 -6.414 7.213 201 HZ1 LYS 25 3HZ LYS 25 -10.163 -6.385 9.015 202 HZ2 LYS 25 1HZ LYS 25 -9.878 -4.767 8.836 203 HZ3 LYS 25 2HZ LYS 25 -9.490 -5.912 7.651 204 H ALA 26 H ALA 26 -6.619 -2.552 4.619 205 HA ALA 26 HA ALA 26 -6.220 -0.243 6.333 206 HB1 ALA 26 1HB ALA 26 -3.822 -0.536 5.701 207 HB2 ALA 26 2HB ALA 26 -4.573 -2.034 6.283 208 HB3 ALA 26 3HB ALA 26 -4.300 -1.795 4.544 209 H TYR 27 H TYR 27 -6.204 -0.755 2.848 210 HA TYR 27 HA TYR 27 -4.926 1.542 2.008 211 HB2 TYR 27 1HB TYR 27 -5.445 -0.288 0.478 212 HB3 TYR 27 2HB TYR 27 -7.170 0.011 0.640 213 HD1 TYR 27 2HD TYR 27 -4.026 1.797 -0.243 214 HD2 TYR 27 1HD TYR 27 -8.200 1.274 -1.051 215 HE1 TYR 27 2HE TYR 27 -3.882 3.563 -2.028 216 HE2 TYR 27 1HE TYR 27 -8.042 2.936 -2.933 217 HH TYR 27 HH TYR 27 -6.798 4.767 -3.660 218 H ARG 28 H ARG 28 -8.478 1.067 2.210 219 HA ARG 28 HA ARG 28 -9.309 3.577 1.368 220 HB2 ARG 28 1HB ARG 28 -10.434 1.213 2.365 221 HB3 ARG 28 2HB ARG 28 -10.899 2.395 3.580 222 HG2 ARG 28 1HG ARG 28 -11.365 2.920 0.638 223 HG3 ARG 28 2HG ARG 28 -12.399 1.868 1.594 224 HD2 ARG 28 1HD ARG 28 -13.006 3.617 3.095 225 HD3 ARG 28 2HD ARG 28 -11.701 4.655 2.492 226 HE ARG 28 HE ARG 28 -13.141 4.398 0.252 227 HH11 ARG 28 1HH1 ARG 28 -14.031 5.412 3.561 228 HH12 ARG 28 2HH1 ARG 28 -15.397 6.340 3.028 229 HH21 ARG 28 1HH2 ARG 28 -14.802 5.855 -0.423 230 HH22 ARG 28 2HH2 ARG 28 -15.705 6.736 0.729 231 H LYS 29 H LYS 29 -8.554 2.595 4.723 232 HA LYS 29 HA LYS 29 -9.421 5.162 5.739 233 HB2 LYS 29 1HB LYS 29 -8.732 4.281 7.881 234 HB3 LYS 29 2HB LYS 29 -9.688 3.106 6.998 235 HG2 LYS 29 1HG LYS 29 -7.696 1.908 6.291 236 HG3 LYS 29 2HG LYS 29 -6.635 3.024 7.155 237 HD2 LYS 29 1HD LYS 29 -8.785 1.354 8.529 238 HD3 LYS 29 2HD LYS 29 -7.178 0.742 8.133 239 HE2 LYS 29 1HE LYS 29 -7.119 1.478 10.399 240 HE3 LYS 29 2HE LYS 29 -6.148 2.608 9.443 241 HZ1 LYS 29 3HZ LYS 29 -7.822 4.242 9.677 242 HZ2 LYS 29 1HZ LYS 29 -7.698 3.548 11.154 243 HZ3 LYS 29 2HZ LYS 29 -8.958 3.136 10.189 244 H LEU 30 H LEU 30 -6.254 3.906 4.603 245 HA LEU 30 HA LEU 30 -4.833 6.200 5.702 246 HB2 LEU 30 1HB LEU 30 -4.088 4.098 3.693 247 HB3 LEU 30 2HB LEU 30 -3.012 5.404 4.191 248 HG LEU 30 HG LEU 30 -4.128 3.225 6.013 249 HD11 LEU 30 1HD1 LEU 30 -1.320 3.809 4.979 250 HD12 LEU 30 2HD1 LEU 30 -2.379 2.471 4.466 251 HD13 LEU 30 3HD1 LEU 30 -1.769 2.528 6.123 252 HD21 LEU 30 3HD2 LEU 30 -2.389 5.643 6.623 253 HD22 LEU 30 1HD2 LEU 30 -2.471 4.210 7.669 254 HD23 LEU 30 2HD2 LEU 30 -3.916 5.177 7.399 255 H ALA 31 H ALA 31 -6.265 5.289 2.542 256 HA ALA 31 HA ALA 31 -5.336 7.518 1.085 257 HB1 ALA 31 1HB ALA 31 -7.973 5.977 0.858 258 HB2 ALA 31 2HB ALA 31 -7.358 7.113 -0.347 259 HB3 ALA 31 3HB ALA 31 -6.457 5.621 -0.002 260 H LEU 32 H LEU 32 -8.436 7.258 2.930 261 HA LEU 32 HA LEU 32 -9.132 9.958 2.674 262 HB2 LEU 32 1HB LEU 32 -9.761 7.833 4.754 263 HB3 LEU 32 2HB LEU 32 -10.220 9.512 5.019 264 HG LEU 32 HG LEU 32 -11.298 9.481 2.706 265 HD11 LEU 32 1HD1 LEU 32 -11.225 6.507 3.174 266 HD12 LEU 32 2HD1 LEU 32 -10.355 7.337 1.868 267 HD13 LEU 32 3HD1 LEU 32 -12.116 7.345 1.871 268 HD21 LEU 32 3HD2 LEU 32 -12.567 9.453 4.842 269 HD22 LEU 32 1HD2 LEU 32 -12.421 7.688 4.884 270 HD23 LEU 32 2HD2 LEU 32 -13.378 8.483 3.605 271 H LYS 33 H LYS 33 -6.962 8.458 5.156 272 HA LYS 33 HA LYS 33 -6.679 10.733 6.782 273 HB2 LYS 33 1HB LYS 33 -5.990 8.457 7.433 274 HB3 LYS 33 2HB LYS 33 -4.745 8.462 6.179 275 HG2 LYS 33 1HG LYS 33 -3.597 10.298 7.265 276 HG3 LYS 33 2HG LYS 33 -4.814 10.348 8.558 277 HD2 LYS 33 1HD LYS 33 -4.175 8.094 9.300 278 HD3 LYS 33 2HD LYS 33 -3.180 7.872 7.859 279 HE2 LYS 33 1HE LYS 33 -1.581 8.337 9.449 280 HE3 LYS 33 2HE LYS 33 -1.791 9.881 8.635 281 HZ1 LYS 33 3HZ LYS 33 -2.918 9.134 11.263 282 HZ2 LYS 33 1HZ LYS 33 -3.140 10.611 10.496 283 HZ3 LYS 33 2HZ LYS 33 -1.653 10.104 10.966 284 H TYR 34 H TYR 34 -4.847 9.698 3.871 285 HA TYR 34 HA TYR 34 -3.260 12.188 4.032 286 HB2 TYR 34 1HB TYR 34 -2.780 9.671 2.414 287 HB3 TYR 34 2HB TYR 34 -1.714 11.007 2.584 288 HD1 TYR 34 1HD TYR 34 -1.432 11.690 5.334 289 HD2 TYR 34 2HD TYR 34 -2.208 7.750 3.758 290 HE1 TYR 34 1HE TYR 34 -0.326 10.674 7.271 291 HE2 TYR 34 2HE TYR 34 -0.902 6.753 5.496 292 HH TYR 34 HH TYR 34 0.375 7.170 7.533 293 H HIS 35 H HIS 35 -6.196 11.738 2.732 294 HA HIS 35 HA HIS 35 -5.740 12.182 -0.013 295 HB2 HIS 35 1HB HIS 35 -7.935 11.587 1.282 296 HB3 HIS 35 2HB HIS 35 -8.150 13.320 1.460 297 HD1 HIS 35 1HD HIS 35 -9.111 14.559 -0.819 298 HD2 HIS 35 2HD HIS 35 -8.014 10.497 -1.166 299 HE1 HIS 35 1HE HIS 35 -9.872 13.783 -3.105 300 HA PRO 36 HA PRO 36 -4.078 16.177 0.212 301 HB2 PRO 36 1HB PRO 36 -4.645 17.220 -2.330 302 HB3 PRO 36 2HB PRO 36 -3.315 16.083 -1.907 303 HG2 PRO 36 1HG PRO 36 -6.035 15.453 -3.072 304 HG3 PRO 36 2HG PRO 36 -4.436 14.766 -3.507 305 HD2 PRO 36 1HD PRO 36 -6.138 13.433 -1.917 306 HD3 PRO 36 2HD PRO 36 -4.384 13.442 -1.553 307 H ASP 37 H ASP 37 -7.423 16.123 -0.774 308 HA ASP 37 HA ASP 37 -8.207 18.819 -0.427 309 HB2 ASP 37 1HB ASP 37 -9.629 16.952 -1.300 310 HB3 ASP 37 2HB ASP 37 -9.716 16.282 0.318 311 H LYS 38 H LYS 38 -7.592 16.287 2.005 312 HA LYS 38 HA LYS 38 -8.382 18.167 4.187 313 HB2 LYS 38 1HB LYS 38 -9.021 15.212 3.800 314 HB3 LYS 38 2HB LYS 38 -9.201 16.003 5.359 315 HG2 LYS 38 1HG LYS 38 -10.576 16.972 2.845 316 HG3 LYS 38 2HG LYS 38 -11.315 15.853 3.982 317 HD2 LYS 38 1HD LYS 38 -11.480 17.443 5.691 318 HD3 LYS 38 2HD LYS 38 -10.270 18.523 4.975 319 HE2 LYS 38 1HE LYS 38 -11.845 18.874 3.024 320 HE3 LYS 38 2HE LYS 38 -13.069 17.986 3.940 321 HZ1 LYS 38 3HZ LYS 38 -13.327 20.317 4.312 322 HZ2 LYS 38 1HZ LYS 38 -11.754 20.517 4.739 323 HZ3 LYS 38 2HZ LYS 38 -12.803 19.681 5.717 324 H ASN 39 H ASN 39 -5.691 16.848 2.898 325 HA ASN 39 HA ASN 39 -4.387 17.266 5.468 326 HB2 ASN 39 1HB ASN 39 -4.999 14.789 5.291 327 HB3 ASN 39 2HB ASN 39 -3.797 14.673 3.987 328 HD21 ASN 39 1HD2 ASN 39 -3.287 13.149 6.103 329 HD22 ASN 39 2HD2 ASN 39 -1.944 13.791 7.040 330 HA PRO 40 HA PRO 40 -2.805 18.931 1.476 331 HB2 PRO 40 1HB PRO 40 -1.989 21.445 2.359 332 HB3 PRO 40 2HB PRO 40 -3.646 21.019 1.831 333 HG2 PRO 40 1HG PRO 40 -2.526 21.142 4.644 334 HG3 PRO 40 2HG PRO 40 -4.093 21.787 4.041 335 HD2 PRO 40 1HD PRO 40 -3.952 19.415 5.338 336 HD3 PRO 40 2HD PRO 40 -5.037 19.595 3.916 337 H ASN 41 H ASN 41 -0.920 18.514 4.480 338 HA ASN 41 HA ASN 41 1.577 19.044 3.168 339 HB2 ASN 41 1HB ASN 41 2.177 17.744 5.440 340 HB3 ASN 41 2HB ASN 41 2.197 19.491 5.197 341 HD21 ASN 41 1HD2 ASN 41 0.617 20.660 6.258 342 HD22 ASN 41 2HD2 ASN 41 -0.744 20.041 7.126 343 H GLU 42 H GLU 42 -0.535 16.258 3.718 344 HA GLU 42 HA GLU 42 1.745 14.418 3.207 345 HB2 GLU 42 1HB GLU 42 -0.929 13.732 4.395 346 HB3 GLU 42 2HB GLU 42 0.556 12.775 4.362 347 HG2 GLU 42 1HG GLU 42 1.574 14.867 5.658 348 HG3 GLU 42 2HG GLU 42 -0.089 15.216 6.002 349 H GLY 43 H GLY 43 -0.059 15.998 1.230 350 HA2 GLY 43 1HA GLY 43 -1.639 14.166 -0.231 351 HA3 GLY 43 2HA GLY 43 -0.961 15.680 -0.854 352 H GLU 44 H GLU 44 1.933 14.790 -0.431 353 HA GLU 44 HA GLU 44 2.090 13.177 -2.891 354 HB2 GLU 44 1HB GLU 44 3.926 14.963 -1.514 355 HB3 GLU 44 2HB GLU 44 4.664 13.371 -1.700 356 HG2 GLU 44 1HG GLU 44 3.838 13.480 -4.170 357 HG3 GLU 44 2HG GLU 44 3.601 15.208 -3.874 358 H LYS 45 H LYS 45 2.289 12.695 0.617 359 HA LYS 45 HA LYS 45 3.419 10.093 0.670 360 HB2 LYS 45 1HB LYS 45 2.133 11.709 2.611 361 HB3 LYS 45 2HB LYS 45 0.968 10.436 2.353 362 HG2 LYS 45 1HG LYS 45 2.865 8.761 2.586 363 HG3 LYS 45 2HG LYS 45 3.889 10.074 3.145 364 HD2 LYS 45 1HD LYS 45 1.216 9.382 4.424 365 HD3 LYS 45 2HD LYS 45 2.731 8.610 4.924 366 HE2 LYS 45 1HE LYS 45 3.671 10.975 5.284 367 HE3 LYS 45 2HE LYS 45 2.006 11.546 5.113 368 HZ1 LYS 45 3HZ LYS 45 2.255 11.241 7.331 369 HZ2 LYS 45 1HZ LYS 45 3.163 9.864 7.207 370 HZ3 LYS 45 2HZ LYS 45 1.535 9.808 6.930 371 H PHE 46 H PHE 46 0.277 11.102 -0.514 372 HA PHE 46 HA PHE 46 -1.096 8.672 -0.566 373 HB2 PHE 46 1HB PHE 46 -1.702 11.121 -1.413 374 HB3 PHE 46 2HB PHE 46 -1.239 10.469 -2.968 375 HD1 PHE 46 2HD PHE 46 -2.317 8.040 -3.564 376 HD2 PHE 46 1HD PHE 46 -3.905 10.846 -0.683 377 HE1 PHE 46 2HE PHE 46 -4.518 6.938 -3.703 378 HE2 PHE 46 1HE PHE 46 -6.087 9.687 -0.784 379 HZ PHE 46 HZ PHE 46 -6.419 7.758 -2.335 380 H LYS 47 H LYS 47 1.349 9.935 -2.788 381 HA LYS 47 HA LYS 47 1.067 8.120 -4.878 382 HB2 LYS 47 1HB LYS 47 3.093 8.892 -5.727 383 HB3 LYS 47 2HB LYS 47 2.566 10.218 -4.687 384 HG2 LYS 47 1HG LYS 47 4.119 9.099 -2.884 385 HG3 LYS 47 2HG LYS 47 4.800 8.208 -4.235 386 HD2 LYS 47 1HD LYS 47 4.680 11.244 -3.974 387 HD3 LYS 47 2HD LYS 47 6.076 10.233 -3.608 388 HE2 LYS 47 1HE LYS 47 6.041 9.418 -6.007 389 HE3 LYS 47 2HE LYS 47 4.767 10.613 -6.328 390 HZ1 LYS 47 3HZ LYS 47 7.550 11.137 -5.497 391 HZ2 LYS 47 1HZ LYS 47 6.396 12.307 -5.459 392 HZ3 LYS 47 2HZ LYS 47 6.793 11.622 -6.893 393 H GLN 48 H GLN 48 3.000 7.669 -1.976 394 HA GLN 48 HA GLN 48 4.098 5.114 -2.698 395 HB2 GLN 48 1HB GLN 48 3.787 6.768 -0.168 396 HB3 GLN 48 2HB GLN 48 4.230 5.061 -0.031 397 HG2 GLN 48 1HG GLN 48 5.887 6.230 -2.108 398 HG3 GLN 48 2HG GLN 48 5.903 7.314 -0.726 399 HE21 GLN 48 1HE2 GLN 48 6.167 6.121 1.462 400 HE22 GLN 48 2HE2 GLN 48 7.321 4.805 1.550 401 H ILE 49 H ILE 49 0.973 6.055 -1.442 402 HA ILE 49 HA ILE 49 0.280 3.413 -0.425 403 HB ILE 49 HB ILE 49 -1.754 5.555 -1.163 404 HG12 ILE 49 1HG1 ILE 49 -0.243 5.537 1.484 405 HG13 ILE 49 2HG1 ILE 49 -0.062 6.727 0.202 406 HG21 ILE 49 1HG2 ILE 49 -1.789 3.721 1.252 407 HG22 ILE 49 2HG2 ILE 49 -3.142 4.530 0.437 408 HG23 ILE 49 3HG2 ILE 49 -2.318 3.172 -0.349 409 HD11 ILE 49 3HD1 ILE 49 -1.459 7.740 1.741 410 HD12 ILE 49 1HD1 ILE 49 -2.569 7.202 0.460 411 HD13 ILE 49 2HD1 ILE 49 -2.446 6.287 1.986 412 H SER 50 H SER 50 -0.571 5.503 -3.327 413 HA SER 50 HA SER 50 -2.126 3.517 -4.600 414 HB2 SER 50 1HB SER 50 -1.306 5.001 -6.693 415 HB3 SER 50 2HB SER 50 -2.566 5.499 -5.564 416 HG SER 50 HG SER 50 -0.218 6.686 -6.065 417 H GLN 51 H GLN 51 1.358 4.217 -4.795 418 HA GLN 51 HA GLN 51 2.158 2.429 -6.784 419 HB2 GLN 51 1HB GLN 51 3.495 4.217 -5.509 420 HB3 GLN 51 2HB GLN 51 3.620 3.081 -4.172 421 HG2 GLN 51 1HG GLN 51 5.538 2.427 -5.065 422 HG3 GLN 51 2HG GLN 51 4.582 1.602 -6.292 423 HE21 GLN 51 1HE2 GLN 51 4.578 2.468 -8.415 424 HE22 GLN 51 2HE2 GLN 51 5.410 3.972 -8.843 425 H ALA 52 H ALA 52 2.161 1.790 -3.223 426 HA ALA 52 HA ALA 52 2.859 -0.960 -3.559 427 HB1 ALA 52 1HB ALA 52 2.057 -1.065 -1.122 428 HB2 ALA 52 2HB ALA 52 3.309 0.141 -1.440 429 HB3 ALA 52 3HB ALA 52 1.613 0.642 -1.273 430 H TYR 53 H TYR 53 -0.289 0.700 -3.213 431 HA TYR 53 HA TYR 53 -1.765 -1.757 -2.999 432 HB2 TYR 53 1HB TYR 53 -2.448 0.442 -2.049 433 HB3 TYR 53 2HB TYR 53 -2.722 1.040 -3.684 434 HD1 TYR 53 2HD TYR 53 -3.762 -1.679 -1.270 435 HD2 TYR 53 1HD TYR 53 -4.813 0.665 -4.746 436 HE1 TYR 53 2HE TYR 53 -6.051 -2.597 -1.200 437 HE2 TYR 53 1HE TYR 53 -7.086 -0.247 -4.693 438 HH TYR 53 HH TYR 53 -8.326 -2.163 -3.791 439 H GLU 54 H GLU 54 -0.423 -0.075 -5.788 440 HA GLU 54 HA GLU 54 -2.350 -0.955 -7.736 441 HB2 GLU 54 1HB GLU 54 -0.905 0.785 -8.442 442 HB3 GLU 54 2HB GLU 54 0.544 -0.052 -7.882 443 HG2 GLU 54 1HG GLU 54 0.387 -1.706 -9.628 444 HG3 GLU 54 2HG GLU 54 -1.145 -1.027 -10.206 445 H VAL 55 H VAL 55 0.843 -2.265 -6.712 446 HA VAL 55 HA VAL 55 0.771 -4.569 -8.339 447 HB VAL 55 HB VAL 55 2.135 -4.194 -5.630 448 HG11 VAL 55 1HG1 VAL 55 2.206 -6.545 -6.409 449 HG12 VAL 55 2HG1 VAL 55 2.841 -6.013 -7.984 450 HG13 VAL 55 3HG1 VAL 55 3.796 -5.797 -6.500 451 HG21 VAL 55 3HG2 VAL 55 2.784 -2.325 -7.053 452 HG22 VAL 55 1HG2 VAL 55 4.095 -3.481 -7.098 453 HG23 VAL 55 2HG2 VAL 55 2.957 -3.406 -8.452 454 H LEU 56 H LEU 56 -0.420 -3.964 -5.090 455 HA LEU 56 HA LEU 56 -1.329 -6.723 -4.689 456 HB2 LEU 56 1HB LEU 56 -1.357 -4.236 -2.960 457 HB3 LEU 56 2HB LEU 56 -1.758 -5.874 -2.402 458 HG LEU 56 HG LEU 56 0.988 -5.047 -3.453 459 HD11 LEU 56 1HD1 LEU 56 0.207 -5.760 -0.608 460 HD12 LEU 56 2HD1 LEU 56 0.476 -4.092 -1.213 461 HD13 LEU 56 3HD1 LEU 56 1.793 -5.272 -1.196 462 HD21 LEU 56 3HD2 LEU 56 1.692 -7.252 -2.538 463 HD22 LEU 56 1HD2 LEU 56 0.601 -7.417 -3.910 464 HD23 LEU 56 2HD2 LEU 56 -0.003 -7.670 -2.246 465 H SER 57 H SER 57 -2.712 -4.565 -6.561 466 HA SER 57 HA SER 57 -5.499 -5.055 -5.605 467 HB2 SER 57 1HB SER 57 -4.143 -3.004 -7.333 468 HB3 SER 57 2HB SER 57 -5.866 -3.382 -7.620 469 HG SER 57 HG SER 57 -4.544 -2.301 -5.418 470 H ASP 58 H ASP 58 -3.230 -6.607 -7.561 471 HA ASP 58 HA ASP 58 -5.429 -7.734 -9.203 472 HB2 ASP 58 1HB ASP 58 -3.884 -5.978 -10.455 473 HB3 ASP 58 2HB ASP 58 -2.716 -7.284 -10.456 474 H ALA 59 H ALA 59 -5.317 -9.971 -9.151 475 HA ALA 59 HA ALA 59 -3.231 -11.254 -7.618 476 HB1 ALA 59 1HB ALA 59 -5.501 -12.269 -7.955 477 HB2 ALA 59 2HB ALA 59 -5.090 -12.536 -9.667 478 HB3 ALA 59 3HB ALA 59 -4.169 -13.348 -8.404 479 H LYS 60 H LYS 60 -3.680 -10.555 -11.146 480 HA LYS 60 HA LYS 60 -1.544 -12.312 -11.882 481 HB2 LYS 60 1HB LYS 60 -3.361 -10.471 -13.209 482 HB3 LYS 60 2HB LYS 60 -1.765 -10.163 -13.820 483 HG2 LYS 60 1HG LYS 60 -3.147 -12.887 -13.737 484 HG3 LYS 60 2HG LYS 60 -2.955 -11.874 -15.153 485 HD2 LYS 60 1HD LYS 60 -0.738 -13.314 -13.614 486 HD3 LYS 60 2HD LYS 60 -1.308 -13.674 -15.240 487 HE2 LYS 60 1HE LYS 60 -0.570 -11.406 -15.995 488 HE3 LYS 60 2HE LYS 60 0.008 -11.085 -14.356 489 HZ1 LYS 60 3HZ LYS 60 1.862 -11.709 -15.358 490 HZ2 LYS 60 1HZ LYS 60 1.164 -12.791 -16.384 491 HZ3 LYS 60 2HZ LYS 60 1.408 -13.194 -14.786 492 H LYS 61 H LYS 61 -1.505 -8.882 -11.039 493 HA LYS 61 HA LYS 61 1.385 -8.622 -11.404 494 HB2 LYS 61 1HB LYS 61 -0.544 -6.983 -9.692 495 HB3 LYS 61 2HB LYS 61 1.172 -6.638 -9.944 496 HG2 LYS 61 1HG LYS 61 0.661 -6.699 -12.465 497 HG3 LYS 61 2HG LYS 61 -1.041 -6.630 -12.050 498 HD2 LYS 61 1HD LYS 61 0.970 -4.594 -10.981 499 HD3 LYS 61 2HD LYS 61 0.192 -4.385 -12.545 500 HE2 LYS 61 1HE LYS 61 -1.467 -4.894 -10.049 501 HE3 LYS 61 2HE LYS 61 -0.894 -3.278 -10.448 502 HZ1 LYS 61 3HZ LYS 61 -3.085 -3.669 -11.365 503 HZ2 LYS 61 1HZ LYS 61 -2.525 -4.915 -12.305 504 HZ3 LYS 61 2HZ LYS 61 -2.008 -3.388 -12.544 505 H ARG 62 H ARG 62 -0.662 -9.075 -8.444 506 HA ARG 62 HA ARG 62 1.472 -9.330 -6.700 507 HB2 ARG 62 1HB ARG 62 -0.692 -9.132 -5.824 508 HB3 ARG 62 2HB ARG 62 -1.239 -10.644 -6.554 509 HG2 ARG 62 1HG ARG 62 0.103 -11.971 -5.085 510 HG3 ARG 62 2HG ARG 62 1.030 -10.575 -4.516 511 HD2 ARG 62 1HD ARG 62 -0.652 -9.792 -3.158 512 HD3 ARG 62 2HD ARG 62 -1.927 -10.597 -4.090 513 HE ARG 62 HE ARG 62 0.041 -11.943 -2.290 514 HH11 ARG 62 1HH1 ARG 62 -3.146 -12.076 -3.913 515 HH12 ARG 62 2HH1 ARG 62 -3.493 -13.675 -3.374 516 HH21 ARG 62 1HH2 ARG 62 -0.462 -14.017 -1.516 517 HH22 ARG 62 2HH2 ARG 62 -1.844 -14.866 -2.088 518 H GLU 63 H GLU 63 0.044 -12.052 -8.593 519 HA GLU 63 HA GLU 63 1.526 -14.103 -7.487 520 HB2 GLU 63 1HB GLU 63 -0.432 -14.172 -9.038 521 HB3 GLU 63 2HB GLU 63 0.664 -13.834 -10.398 522 HG2 GLU 63 1HG GLU 63 1.635 -15.993 -10.249 523 HG3 GLU 63 2HG GLU 63 1.113 -16.218 -8.570 524 H LEU 64 H LEU 64 2.738 -11.597 -9.626 525 HA LEU 64 HA LEU 64 5.247 -13.085 -10.135 526 HB2 LEU 64 1HB LEU 64 4.052 -10.516 -11.121 527 HB3 LEU 64 2HB LEU 64 5.785 -10.485 -10.887 528 HG LEU 64 HG LEU 64 5.136 -11.071 -13.180 529 HD11 LEU 64 1HD1 LEU 64 6.585 -13.045 -13.471 530 HD12 LEU 64 2HD1 LEU 64 6.584 -13.354 -11.736 531 HD13 LEU 64 3HD1 LEU 64 7.319 -11.866 -12.370 532 HD21 LEU 64 3HD2 LEU 64 4.119 -13.696 -12.053 533 HD22 LEU 64 1HD2 LEU 64 4.105 -13.153 -13.743 534 HD23 LEU 64 2HD2 LEU 64 3.064 -12.341 -12.548 535 H TYR 65 H TYR 65 4.205 -10.145 -8.409 536 HA TYR 65 HA TYR 65 6.544 -9.479 -7.011 537 HB2 TYR 65 1HB TYR 65 4.745 -7.999 -7.033 538 HB3 TYR 65 2HB TYR 65 3.583 -9.217 -6.542 539 HD1 TYR 65 2HD TYR 65 6.425 -7.160 -5.321 540 HD2 TYR 65 1HD TYR 65 3.107 -9.700 -4.237 541 HE1 TYR 65 2HE TYR 65 6.569 -6.359 -3.014 542 HE2 TYR 65 1HE TYR 65 3.295 -8.962 -1.887 543 HH TYR 65 HH TYR 65 5.900 -6.744 -0.842 544 H ASP 66 H ASP 66 4.162 -12.022 -6.285 545 HA ASP 66 HA ASP 66 4.766 -12.685 -3.666 546 HB2 ASP 66 1HB ASP 66 2.890 -13.479 -5.192 547 HB3 ASP 66 2HB ASP 66 4.026 -14.624 -5.896 548 H LYS 67 H LYS 67 6.393 -13.622 -6.665 549 HA LYS 67 HA LYS 67 8.546 -15.015 -5.131 550 HB2 LYS 67 1HB LYS 67 9.106 -16.158 -7.231 551 HB3 LYS 67 2HB LYS 67 7.562 -16.607 -6.541 552 HG2 LYS 67 1HG LYS 67 6.355 -15.886 -8.293 553 HG3 LYS 67 2HG LYS 67 7.313 -14.444 -8.548 554 HD2 LYS 67 1HD LYS 67 8.433 -17.147 -9.318 555 HD3 LYS 67 2HD LYS 67 7.367 -16.234 -10.407 556 HE2 LYS 67 1HE LYS 67 8.783 -14.328 -10.436 557 HE3 LYS 67 2HE LYS 67 9.791 -14.942 -9.101 558 HZ1 LYS 67 3HZ LYS 67 10.550 -16.712 -10.597 559 HZ2 LYS 67 1HZ LYS 67 10.944 -15.227 -11.096 560 HZ3 LYS 67 2HZ LYS 67 9.685 -15.990 -11.847 561 H GLY 68 H GLY 68 8.101 -12.034 -5.821 562 HA2 GLY 68 1HA GLY 68 9.634 -10.354 -5.938 563 HA3 GLY 68 2HA GLY 68 10.892 -11.576 -6.132 564 H GLY 69 H GLY 69 8.076 -10.796 -8.217 565 HA2 GLY 69 1HA GLY 69 9.427 -11.156 -10.618 566 HA3 GLY 69 2HA GLY 69 7.898 -10.313 -10.414 567 H GLU 70 H GLU 70 10.643 -8.817 -8.854 568 HA GLU 70 HA GLU 70 11.635 -7.530 -11.207 569 HB2 GLU 70 1HB GLU 70 9.624 -6.079 -10.473 570 HB3 GLU 70 2HB GLU 70 10.522 -5.737 -9.004 571 HG2 GLU 70 1HG GLU 70 12.289 -5.050 -11.140 572 HG3 GLU 70 2HG GLU 70 10.710 -4.562 -11.699 573 H GLN 71 H GLN 71 12.271 -9.088 -8.616 574 HA GLN 71 HA GLN 71 14.529 -7.397 -7.606 575 HB2 GLN 71 1HB GLN 71 12.671 -9.222 -6.009 576 HB3 GLN 71 2HB GLN 71 14.199 -8.565 -5.417 577 HG2 GLN 71 1HG GLN 71 13.271 -6.231 -6.031 578 HG3 GLN 71 2HG GLN 71 11.694 -7.025 -6.147 579 HE21 GLN 71 1HE2 GLN 71 14.290 -5.993 -3.960 580 HE22 GLN 71 2HE2 GLN 71 13.378 -6.285 -2.488 Start of MODEL 9 1 H1 GLY 1 H GLY 1 14.009 0.542 13.182 2 HA2 GLY 1 1HA GLY 1 15.039 2.536 15.109 3 HA3 GLY 1 2HA GLY 1 15.968 1.792 13.793 4 H MET 2 H MET 2 15.773 2.575 11.695 5 HA MET 2 HA MET 2 13.703 4.545 11.037 6 HB2 MET 2 1HB MET 2 15.849 5.709 11.968 7 HB3 MET 2 2HB MET 2 16.627 5.156 10.485 8 HG2 MET 2 1HG MET 2 15.869 7.411 10.164 9 HG3 MET 2 2HG MET 2 14.859 6.359 9.174 10 HE1 MET 2 3HE MET 2 13.920 9.253 9.514 11 HE2 MET 2 1HE MET 2 12.998 7.959 8.717 12 HE3 MET 2 2HE MET 2 12.211 8.994 9.928 13 H VAL 3 H VAL 3 13.807 1.844 10.347 14 HA VAL 3 HA VAL 3 15.154 1.631 7.725 15 HB VAL 3 HB VAL 3 14.550 -0.673 7.740 16 HG11 VAL 3 1HG1 VAL 3 16.574 0.152 8.976 17 HG12 VAL 3 2HG1 VAL 3 15.646 0.125 10.481 18 HG13 VAL 3 3HG1 VAL 3 15.957 -1.382 9.606 19 HG21 VAL 3 3HG2 VAL 3 12.381 -0.773 8.961 20 HG22 VAL 3 1HG2 VAL 3 13.573 -1.862 9.642 21 HG23 VAL 3 2HG2 VAL 3 13.218 -0.340 10.468 22 H LYS 4 H LYS 4 14.138 2.922 6.264 23 HA LYS 4 HA LYS 4 11.134 2.836 6.180 24 HB2 LYS 4 1HB LYS 4 12.779 5.178 5.218 25 HB3 LYS 4 2HB LYS 4 11.043 5.073 5.462 26 HG2 LYS 4 1HG LYS 4 13.240 5.257 7.529 27 HG3 LYS 4 2HG LYS 4 11.993 6.437 7.209 28 HD2 LYS 4 1HD LYS 4 11.077 3.735 8.163 29 HD3 LYS 4 2HD LYS 4 11.990 4.719 9.297 30 HE2 LYS 4 1HE LYS 4 10.344 6.543 9.051 31 HE3 LYS 4 2HE LYS 4 9.427 5.555 7.897 32 HZ1 LYS 4 3HZ LYS 4 9.182 3.890 9.710 33 HZ2 LYS 4 1HZ LYS 4 8.526 5.347 10.133 34 HZ3 LYS 4 2HZ LYS 4 9.976 4.882 10.726 35 H GLU 5 H GLU 5 12.275 0.804 5.167 36 HA GLU 5 HA GLU 5 11.972 1.104 2.271 37 HB2 GLU 5 1HB GLU 5 14.160 -0.028 1.883 38 HB3 GLU 5 2HB GLU 5 14.404 1.488 2.741 39 HG2 GLU 5 1HG GLU 5 14.639 0.229 4.883 40 HG3 GLU 5 2HG GLU 5 14.338 -1.285 4.028 41 H THR 6 H THR 6 10.501 -0.077 4.390 42 HA THR 6 HA THR 6 10.759 -2.999 4.307 43 HB THR 6 HB THR 6 8.081 -2.160 4.910 44 HG1 THR 6 1HG THR 6 8.695 -0.239 5.514 45 HG21 THR 6 3HG2 THR 6 8.533 -3.220 7.094 46 HG22 THR 6 1HG2 THR 6 10.256 -3.326 6.663 47 HG23 THR 6 2HG2 THR 6 9.031 -4.223 5.720 48 H THR 7 H THR 7 9.122 -4.416 3.250 49 HA THR 7 HA THR 7 8.726 -3.644 0.562 50 HB THR 7 HB THR 7 8.962 -5.960 1.416 51 HG1 THR 7 1HG THR 7 8.338 -5.899 -0.603 52 HG21 THR 7 3HG2 THR 7 7.269 -5.789 3.301 53 HG22 THR 7 1HG2 THR 7 7.056 -7.199 2.237 54 HG23 THR 7 2HG2 THR 7 5.998 -5.795 2.034 55 H TYR 8 H TYR 8 6.581 -4.028 -0.389 56 HA TYR 8 HA TYR 8 5.072 -1.663 -0.145 57 HB2 TYR 8 1HB TYR 8 4.285 -4.320 -1.388 58 HB3 TYR 8 2HB TYR 8 3.390 -2.820 -1.634 59 HD1 TYR 8 2HD TYR 8 5.474 -0.781 -2.129 60 HD2 TYR 8 1HD TYR 8 5.258 -4.897 -3.364 61 HE1 TYR 8 2HE TYR 8 6.959 -0.280 -4.064 62 HE2 TYR 8 1HE TYR 8 6.741 -4.411 -5.280 63 HH TYR 8 HH TYR 8 8.513 -2.723 -5.936 64 H TYR 9 H TYR 9 4.410 -4.771 1.490 65 HA TYR 9 HA TYR 9 1.775 -4.159 2.364 66 HB2 TYR 9 1HB TYR 9 4.026 -5.853 3.478 67 HB3 TYR 9 2HB TYR 9 2.576 -5.571 4.423 68 HD1 TYR 9 2HD TYR 9 0.298 -5.979 3.327 69 HD2 TYR 9 1HD TYR 9 3.989 -7.720 1.945 70 HE1 TYR 9 2HE TYR 9 -0.962 -7.886 2.387 71 HE2 TYR 9 1HE TYR 9 2.743 -9.650 1.034 72 HH TYR 9 HH TYR 9 -0.712 -10.135 1.753 73 H ASP 10 H ASP 10 4.933 -3.369 3.957 74 HA ASP 10 HA ASP 10 3.605 -2.381 6.317 75 HB2 ASP 10 1HB ASP 10 6.195 -2.968 5.911 76 HB3 ASP 10 2HB ASP 10 6.281 -1.276 5.533 77 H VAL 11 H VAL 11 4.433 -0.955 3.256 78 HA VAL 11 HA VAL 11 4.455 1.746 3.939 79 HB VAL 11 HB VAL 11 3.468 0.326 1.431 80 HG11 VAL 11 1HG1 VAL 11 3.589 3.319 1.798 81 HG12 VAL 11 2HG1 VAL 11 3.546 2.493 0.227 82 HG13 VAL 11 3HG1 VAL 11 2.179 2.314 1.324 83 HG21 VAL 11 3HG2 VAL 11 5.885 0.195 1.866 84 HG22 VAL 11 1HG2 VAL 11 5.553 1.181 0.440 85 HG23 VAL 11 2HG2 VAL 11 5.971 1.969 1.971 86 H LEU 12 H LEU 12 1.719 -0.487 3.449 87 HA LEU 12 HA LEU 12 -0.227 1.693 3.923 88 HB2 LEU 12 1HB LEU 12 -0.599 -1.210 3.117 89 HB3 LEU 12 2HB LEU 12 -1.910 -0.066 3.390 90 HG LEU 12 HG LEU 12 -0.097 1.271 1.628 91 HD11 LEU 12 1HD1 LEU 12 -0.639 -1.588 0.732 92 HD12 LEU 12 2HD1 LEU 12 0.934 -0.838 1.051 93 HD13 LEU 12 3HD1 LEU 12 -0.043 -0.278 -0.309 94 HD21 LEU 12 3HD2 LEU 12 -2.735 -0.079 1.001 95 HD22 LEU 12 1HD2 LEU 12 -1.879 1.155 0.038 96 HD23 LEU 12 2HD2 LEU 12 -2.496 1.570 1.651 97 H GLY 13 H GLY 13 1.682 0.354 6.032 98 HA2 GLY 13 1HA GLY 13 1.598 0.078 8.286 99 HA3 GLY 13 2HA GLY 13 0.005 0.851 8.232 100 H VAL 14 H VAL 14 0.379 -2.068 6.395 101 HA VAL 14 HA VAL 14 -1.304 -3.509 8.354 102 HB VAL 14 HB VAL 14 -2.500 -2.735 6.359 103 HG11 VAL 14 1HG1 VAL 14 -0.628 -4.503 4.740 104 HG12 VAL 14 2HG1 VAL 14 -2.065 -3.648 4.129 105 HG13 VAL 14 3HG1 VAL 14 -0.667 -2.737 4.710 106 HG21 VAL 14 3HG2 VAL 14 -2.108 -5.730 6.481 107 HG22 VAL 14 1HG2 VAL 14 -3.269 -4.780 7.415 108 HG23 VAL 14 2HG2 VAL 14 -3.461 -4.907 5.656 109 H LYS 15 H LYS 15 -0.762 -5.662 8.802 110 HA LYS 15 HA LYS 15 1.964 -6.139 8.803 111 HB2 LYS 15 1HB LYS 15 1.218 -8.563 9.442 112 HB3 LYS 15 2HB LYS 15 0.960 -7.183 10.491 113 HG2 LYS 15 1HG LYS 15 -0.960 -8.599 10.584 114 HG3 LYS 15 2HG LYS 15 -1.418 -7.064 9.871 115 HD2 LYS 15 1HD LYS 15 -1.356 -8.064 7.632 116 HD3 LYS 15 2HD LYS 15 -0.837 -9.602 8.344 117 HE2 LYS 15 1HE LYS 15 -3.171 -8.896 9.764 118 HE3 LYS 15 2HE LYS 15 -3.516 -8.380 8.111 119 HZ1 LYS 15 3HZ LYS 15 -2.805 -10.774 7.512 120 HZ2 LYS 15 1HZ LYS 15 -4.256 -10.552 8.209 121 HZ3 LYS 15 2HZ LYS 15 -2.989 -11.075 9.124 122 HA PRO 16 HA PRO 16 2.784 -7.810 4.809 123 HB2 PRO 16 1HB PRO 16 5.107 -9.184 5.128 124 HB3 PRO 16 2HB PRO 16 4.981 -7.413 5.275 125 HG2 PRO 16 1HG PRO 16 4.854 -9.443 7.518 126 HG3 PRO 16 2HG PRO 16 5.941 -8.017 7.403 127 HD2 PRO 16 1HD PRO 16 3.598 -7.911 8.777 128 HD3 PRO 16 2HD PRO 16 4.134 -6.520 7.781 129 H ASN 17 H ASN 17 1.390 -9.568 7.071 130 HA ASN 17 HA ASN 17 1.059 -11.955 5.310 131 HB2 ASN 17 1HB ASN 17 0.989 -11.665 8.322 132 HB3 ASN 17 2HB ASN 17 0.004 -12.900 7.542 133 HD21 ASN 17 1HD2 ASN 17 3.304 -12.043 8.365 134 HD22 ASN 17 2HD2 ASN 17 3.985 -13.513 7.653 135 H ALA 18 H ALA 18 -0.169 -9.132 5.128 136 HA ALA 18 HA ALA 18 -2.950 -9.619 5.763 137 HB1 ALA 18 1HB ALA 18 -3.003 -7.450 5.537 138 HB2 ALA 18 2HB ALA 18 -1.441 -7.366 4.696 139 HB3 ALA 18 3HB ALA 18 -2.936 -7.646 3.786 140 H THR 19 H THR 19 -4.616 -9.888 4.311 141 HA THR 19 HA THR 19 -4.047 -11.527 1.924 142 HB THR 19 HB THR 19 -6.636 -11.773 2.211 143 HG1 THR 19 1HG THR 19 -6.020 -10.885 4.810 144 HG21 THR 19 3HG2 THR 19 -4.700 -12.897 4.300 145 HG22 THR 19 1HG2 THR 19 -4.940 -13.576 2.681 146 HG23 THR 19 2HG2 THR 19 -6.263 -13.607 3.858 147 H GLN 20 H GLN 20 -5.768 -11.128 0.056 148 HA GLN 20 HA GLN 20 -5.044 -8.568 -0.994 149 HB2 GLN 20 1HB GLN 20 -7.228 -10.426 -2.061 150 HB3 GLN 20 2HB GLN 20 -6.265 -9.237 -2.937 151 HG2 GLN 20 1HG GLN 20 -5.357 -11.925 -1.918 152 HG3 GLN 20 2HG GLN 20 -5.383 -11.321 -3.578 153 HE21 GLN 20 1HE2 GLN 20 -3.081 -12.215 -1.508 154 HE22 GLN 20 2HE2 GLN 20 -2.033 -10.815 -1.506 155 H GLU 21 H GLU 21 -8.028 -9.757 0.625 156 HA GLU 21 HA GLU 21 -9.414 -7.259 0.125 157 HB2 GLU 21 1HB GLU 21 -10.023 -9.561 2.021 158 HB3 GLU 21 2HB GLU 21 -11.017 -8.114 1.723 159 HG2 GLU 21 1HG GLU 21 -10.733 -8.749 -0.738 160 HG3 GLU 21 2HG GLU 21 -10.561 -10.407 -0.111 161 H GLU 22 H GLU 22 -7.000 -8.179 2.336 162 HA GLU 22 HA GLU 22 -7.745 -6.192 4.407 163 HB2 GLU 22 1HB GLU 22 -5.348 -8.002 4.045 164 HB3 GLU 22 2HB GLU 22 -5.372 -6.686 5.242 165 HG2 GLU 22 1HG GLU 22 -7.457 -7.655 6.209 166 HG3 GLU 22 2HG GLU 22 -7.357 -8.954 5.005 167 H LEU 23 H LEU 23 -5.493 -6.405 1.526 168 HA LEU 23 HA LEU 23 -4.282 -3.964 1.890 169 HB2 LEU 23 1HB LEU 23 -4.981 -5.761 -0.416 170 HB3 LEU 23 2HB LEU 23 -4.646 -4.124 -0.866 171 HG LEU 23 HG LEU 23 -2.709 -5.396 -1.099 172 HD11 LEU 23 1HD1 LEU 23 -1.059 -4.184 0.283 173 HD12 LEU 23 2HD1 LEU 23 -2.299 -3.665 1.392 174 HD13 LEU 23 3HD1 LEU 23 -2.320 -3.080 -0.292 175 HD21 LEU 23 3HD2 LEU 23 -3.199 -7.190 0.472 176 HD22 LEU 23 1HD2 LEU 23 -2.731 -6.124 1.820 177 HD23 LEU 23 2HD2 LEU 23 -1.531 -6.574 0.573 178 H LYS 24 H LYS 24 -7.365 -4.520 0.097 179 HA LYS 24 HA LYS 24 -7.810 -1.778 -0.469 180 HB2 LYS 24 1HB LYS 24 -10.200 -2.317 -0.686 181 HB3 LYS 24 2HB LYS 24 -9.128 -3.366 -1.628 182 HG2 LYS 24 1HG LYS 24 -9.386 -5.128 0.081 183 HG3 LYS 24 2HG LYS 24 -10.523 -4.112 0.979 184 HD2 LYS 24 1HD LYS 24 -10.937 -5.225 -1.821 185 HD3 LYS 24 2HD LYS 24 -11.684 -5.792 -0.317 186 HE2 LYS 24 1HE LYS 24 -12.606 -3.368 -0.069 187 HE3 LYS 24 2HE LYS 24 -12.131 -3.158 -1.765 188 HZ1 LYS 24 3HZ LYS 24 -14.308 -3.847 -1.881 189 HZ2 LYS 24 1HZ LYS 24 -14.172 -4.942 -0.633 190 HZ3 LYS 24 2HZ LYS 24 -13.523 -5.283 -2.087 191 H LYS 25 H LYS 25 -8.967 -3.653 2.325 192 HA LYS 25 HA LYS 25 -10.291 -1.573 3.707 193 HB2 LYS 25 1HB LYS 25 -8.863 -4.018 4.759 194 HB3 LYS 25 2HB LYS 25 -9.656 -2.823 5.800 195 HG2 LYS 25 1HG LYS 25 -11.778 -3.112 4.493 196 HG3 LYS 25 2HG LYS 25 -11.012 -4.444 3.601 197 HD2 LYS 25 1HD LYS 25 -10.603 -5.610 5.753 198 HD3 LYS 25 2HD LYS 25 -11.341 -4.244 6.615 199 HE2 LYS 25 1HE LYS 25 -13.494 -4.644 5.603 200 HE3 LYS 25 2HE LYS 25 -12.837 -5.879 4.516 201 HZ1 LYS 25 3HZ LYS 25 -14.050 -6.561 6.655 202 HZ2 LYS 25 1HZ LYS 25 -12.619 -6.250 7.414 203 HZ3 LYS 25 2HZ LYS 25 -12.712 -7.387 6.193 204 H ALA 26 H ALA 26 -6.815 -2.511 3.997 205 HA ALA 26 HA ALA 26 -6.035 -0.536 5.829 206 HB1 ALA 26 1HB ALA 26 -3.752 -0.968 4.920 207 HB2 ALA 26 2HB ALA 26 -4.655 -2.461 5.226 208 HB3 ALA 26 3HB ALA 26 -4.461 -1.859 3.567 209 H TYR 27 H TYR 27 -5.838 -0.448 2.247 210 HA TYR 27 HA TYR 27 -4.803 2.098 1.857 211 HB2 TYR 27 1HB TYR 27 -5.071 0.443 0.074 212 HB3 TYR 27 2HB TYR 27 -6.821 0.542 0.184 213 HD1 TYR 27 1HD TYR 27 -8.034 2.646 -0.502 214 HD2 TYR 27 2HD TYR 27 -3.811 2.089 -1.136 215 HE1 TYR 27 1HE TYR 27 -8.033 4.540 -2.104 216 HE2 TYR 27 2HE TYR 27 -3.770 4.057 -2.650 217 HH TYR 27 HH TYR 27 -5.599 5.009 -4.276 218 H ARG 28 H ARG 28 -8.274 1.172 2.084 219 HA ARG 28 HA ARG 28 -9.384 3.689 1.582 220 HB2 ARG 28 1HB ARG 28 -10.321 1.288 3.215 221 HB3 ARG 28 2HB ARG 28 -11.279 2.751 3.121 222 HG2 ARG 28 1HG ARG 28 -10.803 2.386 0.477 223 HG3 ARG 28 2HG ARG 28 -10.758 0.702 1.001 224 HD2 ARG 28 1HD ARG 28 -12.976 0.907 1.986 225 HD3 ARG 28 2HD ARG 28 -12.968 2.656 1.733 226 HE ARG 28 HE ARG 28 -12.997 2.347 -0.652 227 HH11 ARG 28 1HH1 ARG 28 -13.910 -0.594 1.126 228 HH12 ARG 28 2HH1 ARG 28 -15.237 -0.968 0.086 229 HH21 ARG 28 1HH2 ARG 28 -14.445 1.766 -2.118 230 HH22 ARG 28 2HH2 ARG 28 -15.419 0.325 -2.007 231 H LYS 29 H LYS 29 -7.773 2.711 4.495 232 HA LYS 29 HA LYS 29 -9.074 4.809 6.121 233 HB2 LYS 29 1HB LYS 29 -6.815 2.847 6.761 234 HB3 LYS 29 2HB LYS 29 -7.710 3.821 7.932 235 HG2 LYS 29 1HG LYS 29 -9.739 2.593 7.570 236 HG3 LYS 29 2HG LYS 29 -9.157 1.866 6.114 237 HD2 LYS 29 1HD LYS 29 -9.035 0.093 7.549 238 HD3 LYS 29 2HD LYS 29 -7.372 0.667 7.477 239 HE2 LYS 29 1HE LYS 29 -7.930 0.187 9.760 240 HE3 LYS 29 2HE LYS 29 -7.797 1.942 9.627 241 HZ1 LYS 29 3HZ LYS 29 -9.756 1.191 10.887 242 HZ2 LYS 29 1HZ LYS 29 -10.364 0.446 9.552 243 HZ3 LYS 29 2HZ LYS 29 -10.202 2.074 9.570 244 H LEU 30 H LEU 30 -5.888 3.962 4.780 245 HA LEU 30 HA LEU 30 -4.618 6.336 5.823 246 HB2 LEU 30 1HB LEU 30 -3.728 4.276 3.835 247 HB3 LEU 30 2HB LEU 30 -2.697 5.607 4.373 248 HG LEU 30 HG LEU 30 -3.916 3.489 6.217 249 HD11 LEU 30 1HD1 LEU 30 -2.210 2.557 4.750 250 HD12 LEU 30 2HD1 LEU 30 -1.583 2.695 6.411 251 HD13 LEU 30 3HD1 LEU 30 -1.082 3.859 5.186 252 HD21 LEU 30 3HD2 LEU 30 -3.601 5.496 7.515 253 HD22 LEU 30 1HD2 LEU 30 -2.052 5.840 6.741 254 HD23 LEU 30 2HD2 LEU 30 -2.211 4.469 7.856 255 H ALA 31 H ALA 31 -6.061 5.582 2.632 256 HA ALA 31 HA ALA 31 -5.055 7.843 1.246 257 HB1 ALA 31 1HB ALA 31 -7.159 7.536 -0.126 258 HB2 ALA 31 2HB ALA 31 -6.312 6.003 0.157 259 HB3 ALA 31 3HB ALA 31 -7.773 6.408 1.089 260 H LEU 32 H LEU 32 -8.118 7.629 3.153 261 HA LEU 32 HA LEU 32 -8.783 10.296 3.102 262 HB2 LEU 32 1HB LEU 32 -9.229 7.979 5.025 263 HB3 LEU 32 2HB LEU 32 -9.835 9.593 5.408 264 HG LEU 32 HG LEU 32 -11.087 9.717 3.428 265 HD11 LEU 32 1HD1 LEU 32 -11.496 7.816 1.864 266 HD12 LEU 32 2HD1 LEU 32 -10.022 7.060 2.514 267 HD13 LEU 32 3HD1 LEU 32 -9.961 8.630 1.695 268 HD21 LEU 32 3HD2 LEU 32 -12.082 8.577 5.406 269 HD22 LEU 32 1HD2 LEU 32 -11.563 7.005 4.754 270 HD23 LEU 32 2HD2 LEU 32 -12.796 7.980 3.908 271 H LYS 33 H LYS 33 -6.469 8.654 5.311 272 HA LYS 33 HA LYS 33 -6.096 10.898 7.035 273 HB2 LYS 33 1HB LYS 33 -5.331 8.728 7.752 274 HB3 LYS 33 2HB LYS 33 -4.300 8.537 6.344 275 HG2 LYS 33 1HG LYS 33 -2.782 10.223 7.032 276 HG3 LYS 33 2HG LYS 33 -3.815 10.752 8.360 277 HD2 LYS 33 1HD LYS 33 -2.964 7.860 8.378 278 HD3 LYS 33 2HD LYS 33 -1.709 9.060 8.613 279 HE2 LYS 33 1HE LYS 33 -2.571 8.353 10.773 280 HE3 LYS 33 2HE LYS 33 -2.901 10.067 10.499 281 HZ1 LYS 33 3HZ LYS 33 -5.163 9.503 9.955 282 HZ2 LYS 33 1HZ LYS 33 -4.787 8.873 11.429 283 HZ3 LYS 33 2HZ LYS 33 -4.831 7.886 10.113 284 H TYR 34 H TYR 34 -4.278 9.853 4.094 285 HA TYR 34 HA TYR 34 -2.668 12.308 4.282 286 HB2 TYR 34 1HB TYR 34 -2.344 9.892 2.467 287 HB3 TYR 34 2HB TYR 34 -1.252 11.193 2.625 288 HD1 TYR 34 2HD TYR 34 -0.527 11.754 5.207 289 HD2 TYR 34 1HD TYR 34 -1.951 7.918 3.834 290 HE1 TYR 34 2HE TYR 34 0.795 10.662 6.918 291 HE2 TYR 34 1HE TYR 34 -0.661 6.820 5.509 292 HH TYR 34 HH TYR 34 1.125 8.643 8.071 293 H HIS 35 H HIS 35 -5.645 12.087 3.137 294 HA HIS 35 HA HIS 35 -5.424 12.674 0.404 295 HB2 HIS 35 1HB HIS 35 -7.480 12.320 2.162 296 HB3 HIS 35 2HB HIS 35 -7.545 14.068 2.052 297 HD1 HIS 35 1HD HIS 35 -8.711 14.996 -0.252 298 HD2 HIS 35 2HD HIS 35 -7.933 10.856 -0.037 299 HE1 HIS 35 1HE HIS 35 -9.818 13.991 -2.243 300 HA PRO 36 HA PRO 36 -3.385 16.602 0.688 301 HB2 PRO 36 1HB PRO 36 -3.916 17.758 -1.750 302 HB3 PRO 36 2HB PRO 36 -2.851 16.334 -1.535 303 HG2 PRO 36 1HG PRO 36 -5.780 16.349 -2.335 304 HG3 PRO 36 2HG PRO 36 -4.423 15.462 -3.095 305 HD2 PRO 36 1HD PRO 36 -6.063 14.255 -1.330 306 HD3 PRO 36 2HD PRO 36 -4.311 13.917 -1.338 307 H ASP 37 H ASP 37 -6.725 16.555 -0.244 308 HA ASP 37 HA ASP 37 -7.631 19.139 0.103 309 HB2 ASP 37 1HB ASP 37 -8.787 16.884 -0.640 310 HB3 ASP 37 2HB ASP 37 -9.233 16.739 1.058 311 H LYS 38 H LYS 38 -6.879 16.738 2.589 312 HA LYS 38 HA LYS 38 -7.680 18.638 4.750 313 HB2 LYS 38 1HB LYS 38 -8.085 15.655 4.358 314 HB3 LYS 38 2HB LYS 38 -8.056 16.310 5.972 315 HG2 LYS 38 1HG LYS 38 -9.904 17.316 3.778 316 HG3 LYS 38 2HG LYS 38 -10.348 16.068 4.940 317 HD2 LYS 38 1HD LYS 38 -9.625 18.946 5.621 318 HD3 LYS 38 2HD LYS 38 -11.252 18.301 5.548 319 HE2 LYS 38 1HE LYS 38 -11.063 17.112 7.520 320 HE3 LYS 38 2HE LYS 38 -9.338 16.838 7.323 321 HZ1 LYS 38 3HZ LYS 38 -9.064 19.264 7.813 322 HZ2 LYS 38 1HZ LYS 38 -9.475 18.288 9.046 323 HZ3 LYS 38 2HZ LYS 38 -10.623 19.246 8.383 324 H ASN 39 H ASN 39 -4.958 17.256 3.349 325 HA ASN 39 HA ASN 39 -3.443 17.579 5.852 326 HB2 ASN 39 1HB ASN 39 -4.408 15.201 5.615 327 HB3 ASN 39 2HB ASN 39 -3.268 14.981 4.287 328 HD21 ASN 39 1HD2 ASN 39 -3.060 13.342 6.397 329 HD22 ASN 39 2HD2 ASN 39 -1.651 13.757 7.383 330 HA PRO 40 HA PRO 40 -1.993 19.086 1.731 331 HB2 PRO 40 1HB PRO 40 -0.946 21.536 2.545 332 HB3 PRO 40 2HB PRO 40 -2.642 21.238 2.050 333 HG2 PRO 40 1HG PRO 40 -1.458 21.394 4.822 334 HG3 PRO 40 2HG PRO 40 -3.020 22.046 4.238 335 HD2 PRO 40 1HD PRO 40 -2.883 19.722 5.631 336 HD3 PRO 40 2HD PRO 40 -4.035 19.932 4.277 337 H ASN 41 H ASN 41 -0.101 18.358 4.429 338 HA ASN 41 HA ASN 41 2.556 18.812 3.255 339 HB2 ASN 41 1HB ASN 41 1.483 17.849 5.767 340 HB3 ASN 41 2HB ASN 41 2.548 16.623 5.155 341 HD21 ASN 41 1HD2 ASN 41 2.511 20.100 6.003 342 HD22 ASN 41 2HD2 ASN 41 4.252 20.273 5.967 343 H GLU 42 H GLU 42 0.087 16.326 3.035 344 HA GLU 42 HA GLU 42 2.132 14.248 2.664 345 HB2 GLU 42 1HB GLU 42 -0.755 14.036 3.525 346 HB3 GLU 42 2HB GLU 42 0.458 12.759 3.560 347 HG2 GLU 42 1HG GLU 42 0.722 15.313 5.191 348 HG3 GLU 42 2HG GLU 42 -0.119 13.888 5.754 349 H GLY 43 H GLY 43 0.434 16.022 0.596 350 HA2 GLY 43 1HA GLY 43 -1.156 14.257 -0.930 351 HA3 GLY 43 2HA GLY 43 -0.382 15.716 -1.550 352 H GLU 44 H GLU 44 2.403 14.702 -1.014 353 HA GLU 44 HA GLU 44 2.700 12.887 -3.320 354 HB2 GLU 44 1HB GLU 44 4.606 14.394 -1.552 355 HB3 GLU 44 2HB GLU 44 5.186 12.963 -2.404 356 HG2 GLU 44 1HG GLU 44 4.309 13.909 -4.562 357 HG3 GLU 44 2HG GLU 44 3.902 15.400 -3.693 358 H LYS 45 H LYS 45 2.578 12.537 0.234 359 HA LYS 45 HA LYS 45 3.780 9.966 0.356 360 HB2 LYS 45 1HB LYS 45 2.701 11.597 2.266 361 HB3 LYS 45 2HB LYS 45 1.335 10.560 2.034 362 HG2 LYS 45 1HG LYS 45 2.603 8.552 2.449 363 HG3 LYS 45 2HG LYS 45 4.138 9.432 2.525 364 HD2 LYS 45 1HD LYS 45 1.785 9.951 4.318 365 HD3 LYS 45 2HD LYS 45 3.107 8.839 4.777 366 HE2 LYS 45 1HE LYS 45 4.723 10.786 4.161 367 HE3 LYS 45 2HE LYS 45 3.285 11.821 4.223 368 HZ1 LYS 45 3HZ LYS 45 3.117 11.629 6.428 369 HZ2 LYS 45 1HZ LYS 45 4.716 11.718 6.219 370 HZ3 LYS 45 2HZ LYS 45 4.058 10.242 6.555 371 H PHE 46 H PHE 46 0.595 11.111 -0.522 372 HA PHE 46 HA PHE 46 -0.867 8.797 -0.451 373 HB2 PHE 46 1HB PHE 46 -1.333 11.327 -1.270 374 HB3 PHE 46 2HB PHE 46 -1.233 10.596 -2.845 375 HD1 PHE 46 2HD PHE 46 -2.662 7.834 -1.889 376 HD2 PHE 46 1HD PHE 46 -3.535 12.033 -1.567 377 HE1 PHE 46 2HE PHE 46 -5.064 7.321 -1.804 378 HE2 PHE 46 1HE PHE 46 -5.962 11.529 -1.576 379 HZ PHE 46 HZ PHE 46 -6.739 9.165 -1.645 380 H LYS 47 H LYS 47 1.501 9.911 -2.851 381 HA LYS 47 HA LYS 47 1.013 8.087 -4.920 382 HB2 LYS 47 1HB LYS 47 2.528 10.313 -4.592 383 HB3 LYS 47 2HB LYS 47 3.802 9.116 -4.360 384 HG2 LYS 47 1HG LYS 47 3.224 8.206 -6.652 385 HG3 LYS 47 2HG LYS 47 1.995 9.499 -6.777 386 HD2 LYS 47 1HD LYS 47 3.891 11.155 -6.246 387 HD3 LYS 47 2HD LYS 47 5.020 9.824 -6.495 388 HE2 LYS 47 1HE LYS 47 3.093 11.009 -8.546 389 HE3 LYS 47 2HE LYS 47 4.835 11.309 -8.433 390 HZ1 LYS 47 3HZ LYS 47 3.547 8.753 -9.115 391 HZ2 LYS 47 1HZ LYS 47 5.162 8.901 -8.870 392 HZ3 LYS 47 2HZ LYS 47 4.454 9.699 -10.100 393 H GLN 48 H GLN 48 3.151 7.771 -2.007 394 HA GLN 48 HA GLN 48 4.225 5.228 -2.797 395 HB2 GLN 48 1HB GLN 48 3.948 6.737 -0.184 396 HB3 GLN 48 2HB GLN 48 4.227 5.016 -0.120 397 HG2 GLN 48 1HG GLN 48 6.112 6.029 -1.995 398 HG3 GLN 48 2HG GLN 48 6.120 7.137 -0.629 399 HE21 GLN 48 1HE2 GLN 48 6.316 3.573 -1.418 400 HE22 GLN 48 2HE2 GLN 48 7.442 3.216 -0.136 401 H ILE 49 H ILE 49 1.148 6.222 -1.360 402 HA ILE 49 HA ILE 49 0.466 3.584 -0.345 403 HB ILE 49 HB ILE 49 -1.635 5.622 -1.135 404 HG12 ILE 49 1HG1 ILE 49 -0.004 5.760 1.417 405 HG13 ILE 49 2HG1 ILE 49 -0.021 6.919 0.115 406 HG21 ILE 49 1HG2 ILE 49 -2.208 3.308 -0.324 407 HG22 ILE 49 2HG2 ILE 49 -1.478 3.727 1.241 408 HG23 ILE 49 3HG2 ILE 49 -2.919 4.591 0.646 409 HD11 ILE 49 3HD1 ILE 49 -1.441 7.879 1.683 410 HD12 ILE 49 1HD1 ILE 49 -2.577 7.113 0.539 411 HD13 ILE 49 2HD1 ILE 49 -2.207 6.336 2.102 412 H SER 50 H SER 50 -0.349 5.522 -3.194 413 HA SER 50 HA SER 50 -1.912 3.733 -4.679 414 HB2 SER 50 1HB SER 50 -1.863 6.039 -5.106 415 HB3 SER 50 2HB SER 50 -0.139 5.930 -5.420 416 HG SER 50 HG SER 50 -2.081 4.579 -6.991 417 H GLN 51 H GLN 51 1.630 4.373 -4.999 418 HA GLN 51 HA GLN 51 2.195 2.459 -6.908 419 HB2 GLN 51 1HB GLN 51 3.613 4.363 -5.788 420 HB3 GLN 51 2HB GLN 51 4.068 3.158 -4.617 421 HG2 GLN 51 1HG GLN 51 5.802 2.756 -6.028 422 HG3 GLN 51 2HG GLN 51 4.643 1.799 -6.952 423 HE21 GLN 51 1HE2 GLN 51 4.985 2.319 -9.158 424 HE22 GLN 51 2HE2 GLN 51 5.042 4.001 -9.743 425 H ALA 52 H ALA 52 2.179 2.033 -3.320 426 HA ALA 52 HA ALA 52 3.191 -0.671 -3.500 427 HB1 ALA 52 1HB ALA 52 2.480 -0.743 -1.054 428 HB2 ALA 52 2HB ALA 52 3.569 0.594 -1.433 429 HB3 ALA 52 3HB ALA 52 1.830 0.894 -1.244 430 H TYR 53 H TYR 53 -0.076 0.740 -3.068 431 HA TYR 53 HA TYR 53 -1.414 -1.772 -2.898 432 HB2 TYR 53 1HB TYR 53 -2.411 0.360 -2.217 433 HB3 TYR 53 2HB TYR 53 -2.358 0.949 -3.872 434 HD1 TYR 53 1HD TYR 53 -3.859 -1.751 -1.704 435 HD2 TYR 53 2HD TYR 53 -4.147 0.529 -5.357 436 HE1 TYR 53 1HE TYR 53 -6.106 -2.709 -2.125 437 HE2 TYR 53 2HE TYR 53 -6.394 -0.411 -5.777 438 HH TYR 53 HH TYR 53 -7.891 -2.072 -5.151 439 H GLU 54 H GLU 54 -0.170 0.092 -5.685 440 HA GLU 54 HA GLU 54 -1.843 -1.157 -7.649 441 HB2 GLU 54 1HB GLU 54 -0.801 1.012 -7.977 442 HB3 GLU 54 2HB GLU 54 0.802 0.329 -7.821 443 HG2 GLU 54 1HG GLU 54 0.298 0.845 -10.140 444 HG3 GLU 54 2HG GLU 54 0.602 -0.866 -9.917 445 H VAL 55 H VAL 55 1.357 -1.979 -6.376 446 HA VAL 55 HA VAL 55 1.830 -4.156 -8.258 447 HB VAL 55 HB VAL 55 3.050 -3.633 -5.514 448 HG11 VAL 55 1HG1 VAL 55 4.917 -5.080 -6.413 449 HG12 VAL 55 2HG1 VAL 55 3.419 -5.954 -6.111 450 HG13 VAL 55 3HG1 VAL 55 3.871 -5.516 -7.774 451 HG21 VAL 55 3HG2 VAL 55 4.951 -2.748 -6.844 452 HG22 VAL 55 1HG2 VAL 55 4.003 -2.976 -8.341 453 HG23 VAL 55 2HG2 VAL 55 3.495 -1.794 -7.120 454 H LEU 56 H LEU 56 0.031 -3.796 -5.284 455 HA LEU 56 HA LEU 56 -0.237 -6.740 -4.999 456 HB2 LEU 56 1HB LEU 56 -1.006 -4.469 -3.134 457 HB3 LEU 56 2HB LEU 56 -1.116 -6.191 -2.758 458 HG LEU 56 HG LEU 56 1.502 -4.737 -3.402 459 HD11 LEU 56 1HD1 LEU 56 0.592 -3.935 -1.289 460 HD12 LEU 56 2HD1 LEU 56 2.001 -4.959 -1.004 461 HD13 LEU 56 3HD1 LEU 56 0.386 -5.619 -0.718 462 HD21 LEU 56 3HD2 LEU 56 2.596 -6.728 -2.537 463 HD22 LEU 56 1HD2 LEU 56 1.582 -7.169 -3.909 464 HD23 LEU 56 2HD2 LEU 56 1.035 -7.512 -2.242 465 H SER 57 H SER 57 -2.141 -4.109 -6.277 466 HA SER 57 HA SER 57 -4.675 -5.084 -5.463 467 HB2 SER 57 1HB SER 57 -5.508 -3.400 -7.105 468 HB3 SER 57 2HB SER 57 -4.332 -2.758 -5.953 469 HG SER 57 HG SER 57 -4.224 -2.802 -8.637 470 H ASP 58 H ASP 58 -2.695 -5.618 -8.359 471 HA ASP 58 HA ASP 58 -4.793 -7.294 -9.597 472 HB2 ASP 58 1HB ASP 58 -2.936 -5.904 -10.885 473 HB3 ASP 58 2HB ASP 58 -1.886 -7.218 -10.476 474 H ALA 59 H ALA 59 -4.903 -9.504 -9.127 475 HA ALA 59 HA ALA 59 -3.117 -10.546 -7.144 476 HB1 ALA 59 1HB ALA 59 -5.362 -11.310 -7.238 477 HB2 ALA 59 2HB ALA 59 -5.126 -11.996 -8.875 478 HB3 ALA 59 3HB ALA 59 -4.260 -12.666 -7.465 479 H LYS 60 H LYS 60 -3.033 -10.565 -10.710 480 HA LYS 60 HA LYS 60 -0.902 -12.474 -10.977 481 HB2 LYS 60 1HB LYS 60 -2.354 -10.523 -12.674 482 HB3 LYS 60 2HB LYS 60 -0.659 -10.670 -13.100 483 HG2 LYS 60 1HG LYS 60 -2.016 -12.207 -14.415 484 HG3 LYS 60 2HG LYS 60 -0.895 -13.095 -13.384 485 HD2 LYS 60 1HD LYS 60 -2.699 -13.575 -11.776 486 HD3 LYS 60 2HD LYS 60 -3.835 -12.625 -12.758 487 HE2 LYS 60 1HE LYS 60 -3.711 -14.171 -14.576 488 HE3 LYS 60 2HE LYS 60 -2.318 -15.012 -13.868 489 HZ1 LYS 60 3HZ LYS 60 -3.695 -15.798 -12.104 490 HZ2 LYS 60 1HZ LYS 60 -4.474 -16.171 -13.503 491 HZ3 LYS 60 2HZ LYS 60 -4.974 -14.902 -12.574 492 H LYS 61 H LYS 61 -0.757 -8.848 -10.788 493 HA LYS 61 HA LYS 61 2.117 -8.751 -10.718 494 HB2 LYS 61 1HB LYS 61 0.087 -6.869 -9.417 495 HB3 LYS 61 2HB LYS 61 1.827 -6.619 -9.439 496 HG2 LYS 61 1HG LYS 61 1.111 -7.141 -12.123 497 HG3 LYS 61 2HG LYS 61 -0.131 -6.059 -11.524 498 HD2 LYS 61 1HD LYS 61 2.793 -5.407 -11.046 499 HD3 LYS 61 2HD LYS 61 2.080 -5.060 -12.603 500 HE2 LYS 61 1HE LYS 61 0.860 -4.097 -9.997 501 HE3 LYS 61 2HE LYS 61 2.047 -3.155 -10.912 502 HZ1 LYS 61 3HZ LYS 61 -0.568 -4.036 -12.011 503 HZ2 LYS 61 1HZ LYS 61 0.524 -3.072 -12.751 504 HZ3 LYS 61 2HZ LYS 61 -0.280 -2.551 -11.409 505 H ARG 62 H ARG 62 -0.293 -8.973 -8.112 506 HA ARG 62 HA ARG 62 1.423 -9.227 -5.964 507 HB2 ARG 62 1HB ARG 62 -1.020 -9.135 -5.751 508 HB3 ARG 62 2HB ARG 62 -1.149 -10.728 -6.453 509 HG2 ARG 62 1HG ARG 62 -1.512 -11.053 -4.180 510 HG3 ARG 62 2HG ARG 62 0.077 -11.700 -4.498 511 HD2 ARG 62 1HD ARG 62 0.901 -9.268 -3.790 512 HD3 ARG 62 2HD ARG 62 -0.775 -9.053 -3.324 513 HE ARG 62 HE ARG 62 -0.105 -9.895 -1.349 514 HH11 ARG 62 1HH1 ARG 62 1.916 -11.691 -3.780 515 HH12 ARG 62 2HH1 ARG 62 2.492 -12.784 -2.577 516 HH21 ARG 62 1HH2 ARG 62 0.934 -11.206 0.161 517 HH22 ARG 62 2HH2 ARG 62 2.172 -12.313 -0.270 518 H GLU 63 H GLU 63 0.836 -11.908 -8.346 519 HA GLU 63 HA GLU 63 2.205 -13.863 -6.692 520 HB2 GLU 63 1HB GLU 63 1.797 -13.960 -9.716 521 HB3 GLU 63 2HB GLU 63 2.283 -15.283 -8.651 522 HG2 GLU 63 1HG GLU 63 0.000 -14.626 -7.406 523 HG3 GLU 63 2HG GLU 63 -0.388 -14.032 -9.032 524 H LEU 64 H LEU 64 3.191 -11.680 -9.345 525 HA LEU 64 HA LEU 64 5.869 -12.751 -9.569 526 HB2 LEU 64 1HB LEU 64 4.428 -10.267 -10.528 527 HB3 LEU 64 2HB LEU 64 6.180 -10.210 -10.446 528 HG LEU 64 HG LEU 64 5.277 -10.836 -12.671 529 HD11 LEU 64 1HD1 LEU 64 7.267 -12.576 -11.192 530 HD12 LEU 64 2HD1 LEU 64 7.534 -11.291 -12.358 531 HD13 LEU 64 3HD1 LEU 64 6.890 -12.838 -12.911 532 HD21 LEU 64 3HD2 LEU 64 3.413 -12.282 -11.920 533 HD22 LEU 64 1HD2 LEU 64 4.579 -13.518 -11.397 534 HD23 LEU 64 2HD2 LEU 64 4.457 -13.072 -13.112 535 H TYR 65 H TYR 65 4.426 -10.069 -7.785 536 HA TYR 65 HA TYR 65 6.661 -9.088 -6.382 537 HB2 TYR 65 1HB TYR 65 4.646 -7.889 -6.325 538 HB3 TYR 65 2HB TYR 65 3.703 -9.287 -5.839 539 HD1 TYR 65 2HD TYR 65 6.427 -7.026 -4.625 540 HD2 TYR 65 1HD TYR 65 3.255 -9.754 -3.580 541 HE1 TYR 65 2HE TYR 65 6.824 -6.548 -2.264 542 HE2 TYR 65 1HE TYR 65 3.674 -9.318 -1.170 543 HH TYR 65 HH TYR 65 6.307 -7.099 -0.116 544 H ASP 66 H ASP 66 4.647 -11.971 -5.737 545 HA ASP 66 HA ASP 66 5.285 -12.419 -3.085 546 HB2 ASP 66 1HB ASP 66 3.626 -13.588 -4.778 547 HB3 ASP 66 2HB ASP 66 4.948 -14.725 -5.015 548 H LYS 67 H LYS 67 7.150 -13.254 -5.964 549 HA LYS 67 HA LYS 67 9.532 -13.895 -4.360 550 HB2 LYS 67 1HB LYS 67 9.888 -15.999 -5.538 551 HB3 LYS 67 2HB LYS 67 8.428 -16.015 -4.553 552 HG2 LYS 67 1HG LYS 67 7.055 -16.317 -6.285 553 HG3 LYS 67 2HG LYS 67 7.850 -15.137 -7.315 554 HD2 LYS 67 1HD LYS 67 9.673 -16.800 -7.807 555 HD3 LYS 67 2HD LYS 67 8.760 -17.995 -6.869 556 HE2 LYS 67 1HE LYS 67 6.755 -17.348 -8.376 557 HE3 LYS 67 2HE LYS 67 7.947 -16.525 -9.397 558 HZ1 LYS 67 3HZ LYS 67 9.013 -18.684 -9.728 559 HZ2 LYS 67 1HZ LYS 67 7.389 -18.814 -10.081 560 HZ3 LYS 67 2HZ LYS 67 7.986 -19.405 -8.679 561 H GLY 68 H GLY 68 9.387 -11.532 -5.654 562 HA2 GLY 68 1HA GLY 68 11.353 -11.580 -7.704 563 HA3 GLY 68 2HA GLY 68 9.751 -11.606 -8.460 564 H GLY 69 H GLY 69 8.324 -9.781 -8.124 565 HA2 GLY 69 1HA GLY 69 7.717 -7.595 -7.620 566 HA3 GLY 69 2HA GLY 69 9.019 -7.555 -6.422 567 H GLU 70 H GLU 70 9.778 -8.347 -9.732 568 HA GLU 70 HA GLU 70 10.912 -5.657 -10.311 569 HB2 GLU 70 1HB GLU 70 12.538 -7.133 -9.039 570 HB3 GLU 70 2HB GLU 70 12.390 -8.299 -10.355 571 HG2 GLU 70 1HG GLU 70 13.116 -6.106 -11.806 572 HG3 GLU 70 2HG GLU 70 13.817 -5.646 -10.255 573 H GLN 71 H GLN 71 8.703 -6.401 -11.462 574 HA GLN 71 HA GLN 71 9.270 -7.881 -14.000 575 HB2 GLN 71 1HB GLN 71 6.848 -8.320 -14.101 576 HB3 GLN 71 2HB GLN 71 7.660 -9.050 -12.741 577 HG2 GLN 71 1HG GLN 71 6.230 -8.146 -11.278 578 HG3 GLN 71 2HG GLN 71 6.589 -6.525 -11.825 579 HE21 GLN 71 1HE2 GLN 71 5.606 -6.041 -14.024 580 HE22 GLN 71 2HE2 GLN 71 3.917 -6.469 -14.331 Start of MODEL 10 1 H1 GLY 1 H GLY 1 10.871 7.083 12.561 2 HA2 GLY 1 1HA GLY 1 13.389 7.251 12.674 3 HA3 GLY 1 2HA GLY 1 13.360 5.473 12.528 4 H MET 2 H MET 2 14.329 5.392 10.359 5 HA MET 2 HA MET 2 12.577 6.495 8.232 6 HB2 MET 2 1HB MET 2 14.299 7.640 7.155 7 HB3 MET 2 2HB MET 2 14.320 8.151 8.837 8 HG2 MET 2 1HG MET 2 16.298 6.765 9.277 9 HG3 MET 2 2HG MET 2 16.257 6.164 7.610 10 HE1 MET 2 3HE MET 2 18.939 7.274 8.452 11 HE2 MET 2 1HE MET 2 18.488 6.786 6.801 12 HE3 MET 2 2HE MET 2 19.300 8.339 7.072 13 H VAL 3 H VAL 3 13.258 3.642 9.169 14 HA VAL 3 HA VAL 3 14.581 2.444 6.860 15 HB VAL 3 HB VAL 3 12.720 1.210 8.954 16 HG11 VAL 3 1HG1 VAL 3 14.756 -0.063 7.054 17 HG12 VAL 3 2HG1 VAL 3 13.840 -0.914 8.313 18 HG13 VAL 3 3HG1 VAL 3 12.989 -0.213 6.939 19 HG21 VAL 3 3HG2 VAL 3 14.609 2.172 10.125 20 HG22 VAL 3 1HG2 VAL 3 14.864 0.430 10.011 21 HG23 VAL 3 2HG2 VAL 3 15.735 1.530 8.914 22 H LYS 4 H LYS 4 13.528 3.481 5.108 23 HA LYS 4 HA LYS 4 10.698 2.653 4.614 24 HB2 LYS 4 1HB LYS 4 12.264 4.800 3.140 25 HB3 LYS 4 2HB LYS 4 10.554 4.441 3.003 26 HG2 LYS 4 1HG LYS 4 12.045 5.751 5.296 27 HG3 LYS 4 2HG LYS 4 10.849 6.485 4.250 28 HD2 LYS 4 1HD LYS 4 10.259 4.381 6.382 29 HD3 LYS 4 2HD LYS 4 10.078 6.118 6.542 30 HE2 LYS 4 1HE LYS 4 7.927 5.343 6.140 31 HE3 LYS 4 2HE LYS 4 8.437 6.089 4.620 32 HZ1 LYS 4 3HZ LYS 4 7.290 3.884 4.478 33 HZ2 LYS 4 1HZ LYS 4 8.558 3.172 5.151 34 HZ3 LYS 4 2HZ LYS 4 8.685 3.944 3.665 35 H GLU 5 H GLU 5 12.414 0.739 4.696 36 HA GLU 5 HA GLU 5 12.702 -0.179 1.924 37 HB2 GLU 5 1HB GLU 5 14.882 -0.566 4.029 38 HB3 GLU 5 2HB GLU 5 14.828 -1.237 2.386 39 HG2 GLU 5 1HG GLU 5 14.759 1.184 1.535 40 HG3 GLU 5 2HG GLU 5 15.113 1.679 3.201 41 H THR 6 H THR 6 10.554 -0.411 3.540 42 HA THR 6 HA THR 6 10.534 -3.216 4.472 43 HB THR 6 HB THR 6 8.646 -1.046 5.455 44 HG1 THR 6 1HG THR 6 9.837 -0.769 7.207 45 HG21 THR 6 3HG2 THR 6 8.273 -2.685 7.297 46 HG22 THR 6 1HG2 THR 6 9.431 -3.799 6.538 47 HG23 THR 6 2HG2 THR 6 7.908 -3.403 5.720 48 H THR 7 H THR 7 8.821 -4.381 3.534 49 HA THR 7 HA THR 7 8.172 -3.703 0.983 50 HB THR 7 HB THR 7 8.273 -5.909 2.124 51 HG1 THR 7 1HG THR 7 7.283 -6.901 0.635 52 HG21 THR 7 3HG2 THR 7 6.497 -5.497 3.880 53 HG22 THR 7 1HG2 THR 7 6.292 -6.998 2.954 54 HG23 THR 7 2HG2 THR 7 5.299 -5.583 2.566 55 H TYR 8 H TYR 8 6.037 -3.997 0.115 56 HA TYR 8 HA TYR 8 4.653 -1.530 0.178 57 HB2 TYR 8 1HB TYR 8 3.756 -4.257 -0.825 58 HB3 TYR 8 2HB TYR 8 2.802 -2.820 -1.120 59 HD1 TYR 8 2HD TYR 8 4.803 -0.737 -1.830 60 HD2 TYR 8 1HD TYR 8 4.639 -4.939 -2.816 61 HE1 TYR 8 2HE TYR 8 6.223 -0.304 -3.780 62 HE2 TYR 8 1HE TYR 8 6.187 -4.531 -4.724 63 HH TYR 8 HH TYR 8 7.638 -2.931 -5.672 64 H TYR 9 H TYR 9 3.783 -4.518 1.879 65 HA TYR 9 HA TYR 9 1.273 -3.739 2.845 66 HB2 TYR 9 1HB TYR 9 3.474 -5.427 4.103 67 HB3 TYR 9 2HB TYR 9 1.853 -5.349 4.726 68 HD1 TYR 9 2HD TYR 9 0.133 -5.429 2.271 69 HD2 TYR 9 1HD TYR 9 3.778 -7.563 3.144 70 HE1 TYR 9 2HE TYR 9 -0.714 -7.351 1.053 71 HE2 TYR 9 1HE TYR 9 2.973 -9.480 1.834 72 HH TYR 9 HH TYR 9 1.244 -10.360 0.595 73 H ASP 10 H ASP 10 4.499 -2.820 4.071 74 HA ASP 10 HA ASP 10 3.427 -1.569 6.453 75 HB2 ASP 10 1HB ASP 10 6.013 -2.129 5.526 76 HB3 ASP 10 2HB ASP 10 5.962 -0.378 5.550 77 H VAL 11 H VAL 11 4.100 -0.421 3.145 78 HA VAL 11 HA VAL 11 3.658 2.354 3.689 79 HB VAL 11 HB VAL 11 3.220 0.702 1.155 80 HG11 VAL 11 1HG1 VAL 11 3.117 3.702 1.507 81 HG12 VAL 11 2HG1 VAL 11 3.250 2.873 -0.049 82 HG13 VAL 11 3HG1 VAL 11 1.815 2.614 0.951 83 HG21 VAL 11 3HG2 VAL 11 5.581 0.810 1.820 84 HG22 VAL 11 1HG2 VAL 11 5.294 1.755 0.356 85 HG23 VAL 11 2HG2 VAL 11 5.486 2.592 1.903 86 H LEU 12 H LEU 12 1.554 -0.378 2.965 87 HA LEU 12 HA LEU 12 -0.874 1.247 3.096 88 HB2 LEU 12 1HB LEU 12 -0.395 -1.754 2.851 89 HB3 LEU 12 2HB LEU 12 -1.971 -0.995 2.650 90 HG LEU 12 HG LEU 12 0.345 -0.064 0.890 91 HD11 LEU 12 1HD1 LEU 12 -1.379 -2.475 0.274 92 HD12 LEU 12 2HD1 LEU 12 0.324 -2.567 0.778 93 HD13 LEU 12 3HD1 LEU 12 -0.110 -1.779 -0.737 94 HD21 LEU 12 3HD2 LEU 12 -1.464 0.296 -0.714 95 HD22 LEU 12 1HD2 LEU 12 -1.732 1.188 0.758 96 HD23 LEU 12 2HD2 LEU 12 -2.660 -0.302 0.450 97 H GLY 13 H GLY 13 1.132 0.290 5.502 98 HA2 GLY 13 1HA GLY 13 0.874 0.457 7.746 99 HA3 GLY 13 2HA GLY 13 -0.794 0.976 7.492 100 H VAL 14 H VAL 14 0.512 -2.177 6.357 101 HA VAL 14 HA VAL 14 -1.132 -3.527 8.430 102 HB VAL 14 HB VAL 14 -1.942 -5.118 6.752 103 HG11 VAL 14 1HG1 VAL 14 -2.643 -2.240 6.073 104 HG12 VAL 14 2HG1 VAL 14 -3.684 -3.640 5.889 105 HG13 VAL 14 3HG1 VAL 14 -3.200 -3.131 7.498 106 HG21 VAL 14 3HG2 VAL 14 -1.853 -4.659 4.325 107 HG22 VAL 14 1HG2 VAL 14 -0.838 -3.240 4.618 108 HG23 VAL 14 2HG2 VAL 14 -0.240 -4.875 4.969 109 H LYS 15 H LYS 15 -0.625 -5.649 8.870 110 HA LYS 15 HA LYS 15 2.131 -6.227 9.066 111 HB2 LYS 15 1HB LYS 15 1.189 -8.595 9.663 112 HB3 LYS 15 2HB LYS 15 0.989 -7.223 10.734 113 HG2 LYS 15 1HG LYS 15 -1.003 -8.590 10.640 114 HG3 LYS 15 2HG LYS 15 -1.327 -6.943 10.122 115 HD2 LYS 15 1HD LYS 15 -1.417 -7.617 7.795 116 HD3 LYS 15 2HD LYS 15 -0.792 -9.219 8.198 117 HE2 LYS 15 1HE LYS 15 -3.069 -9.618 7.852 118 HE3 LYS 15 2HE LYS 15 -2.854 -9.609 9.599 119 HZ1 LYS 15 3HZ LYS 15 -4.787 -8.378 9.066 120 HZ2 LYS 15 1HZ LYS 15 -4.043 -7.405 7.981 121 HZ3 LYS 15 2HZ LYS 15 -3.699 -7.281 9.563 122 HA PRO 16 HA PRO 16 2.904 -8.069 5.141 123 HB2 PRO 16 1HB PRO 16 4.988 -9.809 5.615 124 HB3 PRO 16 2HB PRO 16 5.144 -8.027 5.622 125 HG2 PRO 16 1HG PRO 16 4.782 -9.879 7.992 126 HG3 PRO 16 2HG PRO 16 5.927 -8.505 7.805 127 HD2 PRO 16 1HD PRO 16 3.555 -8.270 9.143 128 HD3 PRO 16 2HD PRO 16 4.259 -6.923 8.205 129 H ASN 17 H ASN 17 1.431 -9.750 7.549 130 HA ASN 17 HA ASN 17 1.015 -12.313 6.147 131 HB2 ASN 17 1HB ASN 17 1.465 -12.397 8.517 132 HB3 ASN 17 2HB ASN 17 0.251 -11.173 8.861 133 HD21 ASN 17 1HD2 ASN 17 0.239 -14.419 7.108 134 HD22 ASN 17 2HD2 ASN 17 -1.238 -14.869 7.915 135 H ALA 18 H ALA 18 -0.125 -9.333 5.495 136 HA ALA 18 HA ALA 18 -2.937 -9.466 5.794 137 HB1 ALA 18 1HB ALA 18 -1.782 -7.358 5.402 138 HB2 ALA 18 2HB ALA 18 -1.259 -7.922 3.793 139 HB3 ALA 18 3HB ALA 18 -2.984 -7.664 4.123 140 H THR 19 H THR 19 -4.570 -9.529 4.158 141 HA THR 19 HA THR 19 -4.103 -11.497 2.019 142 HB THR 19 HB THR 19 -6.671 -11.894 2.563 143 HG1 THR 19 1HG THR 19 -7.065 -11.613 4.795 144 HG21 THR 19 3HG2 THR 19 -4.469 -12.844 4.454 145 HG22 THR 19 1HG2 THR 19 -4.821 -13.555 2.861 146 HG23 THR 19 2HG2 THR 19 -6.033 -13.644 4.151 147 H GLN 20 H GLN 20 -5.719 -11.401 0.214 148 HA GLN 20 HA GLN 20 -5.457 -8.882 -1.043 149 HB2 GLN 20 1HB GLN 20 -7.271 -11.199 -1.743 150 HB3 GLN 20 2HB GLN 20 -6.882 -9.876 -2.816 151 HG2 GLN 20 1HG GLN 20 -4.542 -11.426 -1.700 152 HG3 GLN 20 2HG GLN 20 -5.600 -12.245 -2.819 153 HE21 GLN 20 1HE2 GLN 20 -4.210 -8.817 -2.735 154 HE22 GLN 20 2HE2 GLN 20 -3.699 -8.926 -4.385 155 H GLU 21 H GLU 21 -8.182 -10.248 0.884 156 HA GLU 21 HA GLU 21 -10.066 -8.349 0.125 157 HB2 GLU 21 1HB GLU 21 -11.055 -9.001 2.368 158 HB3 GLU 21 2HB GLU 21 -11.015 -10.145 1.016 159 HG2 GLU 21 1HG GLU 21 -9.234 -11.287 1.893 160 HG3 GLU 21 2HG GLU 21 -8.956 -10.162 3.246 161 H GLU 22 H GLU 22 -7.753 -8.604 2.790 162 HA GLU 22 HA GLU 22 -8.684 -6.517 4.447 163 HB2 GLU 22 1HB GLU 22 -6.006 -8.016 4.161 164 HB3 GLU 22 2HB GLU 22 -6.271 -6.723 5.326 165 HG2 GLU 22 1HG GLU 22 -7.970 -9.208 5.250 166 HG3 GLU 22 2HG GLU 22 -6.592 -8.921 6.313 167 H LEU 23 H LEU 23 -6.102 -6.645 2.043 168 HA LEU 23 HA LEU 23 -4.977 -4.159 2.108 169 HB2 LEU 23 1HB LEU 23 -5.733 -6.085 -0.110 170 HB3 LEU 23 2HB LEU 23 -5.025 -4.553 -0.565 171 HG LEU 23 HG LEU 23 -3.642 -6.255 1.540 172 HD11 LEU 23 1HD1 LEU 23 -3.634 -6.697 -1.458 173 HD12 LEU 23 2HD1 LEU 23 -3.818 -7.883 -0.153 174 HD13 LEU 23 3HD1 LEU 23 -2.251 -7.173 -0.461 175 HD21 LEU 23 3HD2 LEU 23 -2.692 -4.278 -0.584 176 HD22 LEU 23 1HD2 LEU 23 -1.671 -5.065 0.646 177 HD23 LEU 23 2HD2 LEU 23 -2.926 -3.923 1.141 178 H LYS 24 H LYS 24 -8.126 -4.978 0.642 179 HA LYS 24 HA LYS 24 -8.401 -2.332 -0.535 180 HB2 LYS 24 1HB LYS 24 -10.753 -4.159 -0.411 181 HB3 LYS 24 2HB LYS 24 -10.161 -3.120 -1.713 182 HG2 LYS 24 1HG LYS 24 -8.127 -4.941 -1.644 183 HG3 LYS 24 2HG LYS 24 -9.424 -5.922 -0.958 184 HD2 LYS 24 1HD LYS 24 -9.120 -4.771 -3.725 185 HD3 LYS 24 2HD LYS 24 -9.165 -6.446 -3.231 186 HE2 LYS 24 1HE LYS 24 -11.238 -6.320 -4.093 187 HE3 LYS 24 2HE LYS 24 -11.619 -5.842 -2.435 188 HZ1 LYS 24 3HZ LYS 24 -12.617 -4.348 -4.016 189 HZ2 LYS 24 1HZ LYS 24 -11.211 -4.067 -4.780 190 HZ3 LYS 24 2HZ LYS 24 -11.435 -3.496 -3.250 191 H LYS 25 H LYS 25 -9.225 -3.657 2.561 192 HA LYS 25 HA LYS 25 -10.951 -1.301 3.194 193 HB2 LYS 25 1HB LYS 25 -9.891 -3.476 5.071 194 HB3 LYS 25 2HB LYS 25 -11.027 -2.190 5.465 195 HG2 LYS 25 1HG LYS 25 -12.400 -3.314 3.417 196 HG3 LYS 25 2HG LYS 25 -11.462 -4.721 3.910 197 HD2 LYS 25 1HD LYS 25 -12.357 -4.449 6.249 198 HD3 LYS 25 2HD LYS 25 -13.319 -3.056 5.692 199 HE2 LYS 25 1HE LYS 25 -14.375 -4.591 3.954 200 HE3 LYS 25 2HE LYS 25 -13.501 -5.928 4.704 201 HZ1 LYS 25 3HZ LYS 25 -15.650 -4.308 5.937 202 HZ2 LYS 25 1HZ LYS 25 -14.750 -5.401 6.778 203 HZ3 LYS 25 2HZ LYS 25 -15.705 -5.875 5.523 204 H ALA 26 H ALA 26 -7.635 -2.554 3.731 205 HA ALA 26 HA ALA 26 -6.741 -0.624 5.522 206 HB1 ALA 26 1HB ALA 26 -5.122 -1.962 3.316 207 HB2 ALA 26 2HB ALA 26 -4.501 -1.224 4.799 208 HB3 ALA 26 3HB ALA 26 -5.520 -2.679 4.896 209 H TYR 27 H TYR 27 -6.565 -0.512 1.940 210 HA TYR 27 HA TYR 27 -5.361 1.948 1.566 211 HB2 TYR 27 1HB TYR 27 -5.863 0.398 -0.217 212 HB3 TYR 27 2HB TYR 27 -7.598 0.671 -0.035 213 HD1 TYR 27 2HD TYR 27 -4.391 2.476 -0.722 214 HD2 TYR 27 1HD TYR 27 -8.649 2.375 -1.337 215 HE1 TYR 27 2HE TYR 27 -4.206 4.423 -2.271 216 HE2 TYR 27 1HE TYR 27 -8.490 4.290 -2.882 217 HH TYR 27 HH TYR 27 -7.085 5.815 -3.934 218 H ARG 28 H ARG 28 -8.852 1.406 2.053 219 HA ARG 28 HA ARG 28 -9.584 4.172 1.918 220 HB2 ARG 28 1HB ARG 28 -10.955 1.669 2.985 221 HB3 ARG 28 2HB ARG 28 -11.700 3.248 3.073 222 HG2 ARG 28 1HG ARG 28 -11.219 3.434 0.507 223 HG3 ARG 28 2HG ARG 28 -10.963 1.674 0.585 224 HD2 ARG 28 1HD ARG 28 -13.230 1.470 1.649 225 HD3 ARG 28 2HD ARG 28 -13.426 3.220 1.468 226 HE ARG 28 HE ARG 28 -12.852 1.717 -1.011 227 HH11 ARG 28 1HH1 ARG 28 -15.450 3.104 1.048 228 HH12 ARG 28 2HH1 ARG 28 -16.644 2.821 -0.187 229 HH21 ARG 28 1HH2 ARG 28 -14.504 1.626 -2.666 230 HH22 ARG 28 2HH2 ARG 28 -16.086 2.198 -2.262 231 H LYS 29 H LYS 29 -7.792 2.690 4.349 232 HA LYS 29 HA LYS 29 -8.757 4.570 6.461 233 HB2 LYS 29 1HB LYS 29 -6.590 2.417 6.603 234 HB3 LYS 29 2HB LYS 29 -7.137 3.430 7.941 235 HG2 LYS 29 1HG LYS 29 -9.327 2.491 7.892 236 HG3 LYS 29 2HG LYS 29 -9.045 1.708 6.337 237 HD2 LYS 29 1HD LYS 29 -9.067 0.025 7.926 238 HD3 LYS 29 2HD LYS 29 -7.391 0.195 7.397 239 HE2 LYS 29 1HE LYS 29 -6.698 1.101 9.447 240 HE3 LYS 29 2HE LYS 29 -8.321 1.704 9.848 241 HZ1 LYS 29 3HZ LYS 29 -9.055 -0.464 10.266 242 HZ2 LYS 29 1HZ LYS 29 -7.690 -0.287 11.135 243 HZ3 LYS 29 2HZ LYS 29 -7.699 -1.177 9.715 244 H LEU 30 H LEU 30 -5.685 3.641 4.857 245 HA LEU 30 HA LEU 30 -4.356 5.995 5.893 246 HB2 LEU 30 1HB LEU 30 -3.483 4.087 3.755 247 HB3 LEU 30 2HB LEU 30 -2.548 5.482 4.234 248 HG LEU 30 HG LEU 30 -1.577 3.688 5.346 249 HD11 LEU 30 1HD1 LEU 30 -3.297 4.936 7.527 250 HD12 LEU 30 2HD1 LEU 30 -1.917 5.754 6.773 251 HD13 LEU 30 3HD1 LEU 30 -1.680 4.249 7.678 252 HD21 LEU 30 3HD2 LEU 30 -2.674 2.095 6.781 253 HD22 LEU 30 1HD2 LEU 30 -3.415 2.072 5.185 254 HD23 LEU 30 2HD2 LEU 30 -4.251 2.868 6.541 255 H ALA 31 H ALA 31 -6.120 5.484 2.819 256 HA ALA 31 HA ALA 31 -5.296 7.846 1.505 257 HB1 ALA 31 1HB ALA 31 -6.759 6.218 0.424 258 HB2 ALA 31 2HB ALA 31 -8.030 6.481 1.638 259 HB3 ALA 31 3HB ALA 31 -7.610 7.778 0.503 260 H LEU 32 H LEU 32 -8.031 7.464 3.817 261 HA LEU 32 HA LEU 32 -8.577 10.190 4.164 262 HB2 LEU 32 1HB LEU 32 -9.158 7.640 5.737 263 HB3 LEU 32 2HB LEU 32 -9.772 9.214 6.219 264 HG LEU 32 HG LEU 32 -11.013 9.499 4.250 265 HD11 LEU 32 1HD1 LEU 32 -9.973 6.875 3.217 266 HD12 LEU 32 2HD1 LEU 32 -9.930 8.484 2.455 267 HD13 LEU 32 3HD1 LEU 32 -11.470 7.644 2.646 268 HD21 LEU 32 3HD2 LEU 32 -12.695 7.687 4.682 269 HD22 LEU 32 1HD2 LEU 32 -12.011 8.333 6.175 270 HD23 LEU 32 2HD2 LEU 32 -11.448 6.767 5.536 271 H LYS 33 H LYS 33 -5.718 8.706 5.160 272 HA LYS 33 HA LYS 33 -5.446 10.379 7.611 273 HB2 LYS 33 1HB LYS 33 -4.844 7.979 7.837 274 HB3 LYS 33 2HB LYS 33 -3.767 8.103 6.451 275 HG2 LYS 33 1HG LYS 33 -2.498 8.048 8.474 276 HG3 LYS 33 2HG LYS 33 -2.243 9.572 7.646 277 HD2 LYS 33 1HD LYS 33 -3.488 10.806 9.246 278 HD3 LYS 33 2HD LYS 33 -4.369 9.369 9.791 279 HE2 LYS 33 1HE LYS 33 -2.800 10.164 11.474 280 HE3 LYS 33 2HE LYS 33 -2.459 8.503 10.967 281 HZ1 LYS 33 3HZ LYS 33 -0.999 10.769 9.752 282 HZ2 LYS 33 1HZ LYS 33 -0.515 9.201 9.913 283 HZ3 LYS 33 2HZ LYS 33 -0.603 10.181 11.222 284 H TYR 34 H TYR 34 -4.330 9.903 4.296 285 HA TYR 34 HA TYR 34 -2.328 12.065 4.620 286 HB2 TYR 34 1HB TYR 34 -2.465 9.659 2.780 287 HB3 TYR 34 2HB TYR 34 -1.218 10.889 2.712 288 HD1 TYR 34 1HD TYR 34 -0.205 11.430 5.264 289 HD2 TYR 34 2HD TYR 34 -1.785 7.679 3.880 290 HE1 TYR 34 1HE TYR 34 1.268 10.248 6.815 291 HE2 TYR 34 2HE TYR 34 -0.262 6.461 5.352 292 HH TYR 34 HH TYR 34 1.613 6.641 6.784 293 H HIS 35 H HIS 35 -5.378 12.123 3.800 294 HA HIS 35 HA HIS 35 -5.452 12.599 1.006 295 HB2 HIS 35 1HB HIS 35 -7.321 12.314 2.981 296 HB3 HIS 35 2HB HIS 35 -7.371 14.061 2.832 297 HD1 HIS 35 1HD HIS 35 -8.667 14.968 0.597 298 HD2 HIS 35 2HD HIS 35 -8.036 10.813 0.911 299 HE1 HIS 35 1HE HIS 35 -9.973 13.909 -1.282 300 HA PRO 36 HA PRO 36 -3.311 16.424 1.037 301 HB2 PRO 36 1HB PRO 36 -4.026 17.570 -1.380 302 HB3 PRO 36 2HB PRO 36 -2.931 16.166 -1.205 303 HG2 PRO 36 1HG PRO 36 -5.902 16.157 -1.812 304 HG3 PRO 36 2HG PRO 36 -4.601 15.224 -2.626 305 HD2 PRO 36 1HD PRO 36 -6.184 14.128 -0.723 306 HD3 PRO 36 2HD PRO 36 -4.451 13.718 -0.803 307 H ASP 37 H ASP 37 -6.745 16.639 0.370 308 HA ASP 37 HA ASP 37 -7.465 19.253 0.888 309 HB2 ASP 37 1HB ASP 37 -8.916 17.198 0.337 310 HB3 ASP 37 2HB ASP 37 -8.819 16.746 2.013 311 H LYS 38 H LYS 38 -6.304 16.868 3.138 312 HA LYS 38 HA LYS 38 -7.075 18.488 5.535 313 HB2 LYS 38 1HB LYS 38 -7.168 15.535 4.821 314 HB3 LYS 38 2HB LYS 38 -7.281 16.053 6.485 315 HG2 LYS 38 1HG LYS 38 -9.168 17.012 4.289 316 HG3 LYS 38 2HG LYS 38 -9.453 15.576 5.231 317 HD2 LYS 38 1HD LYS 38 -9.196 18.382 6.355 318 HD3 LYS 38 2HD LYS 38 -10.714 17.546 6.084 319 HE2 LYS 38 1HE LYS 38 -10.527 16.226 7.916 320 HE3 LYS 38 2HE LYS 38 -8.799 15.964 7.702 321 HZ1 LYS 38 3HZ LYS 38 -8.440 18.234 8.550 322 HZ2 LYS 38 1HZ LYS 38 -9.133 17.227 9.668 323 HZ3 LYS 38 2HZ LYS 38 -10.056 18.342 8.864 324 H ASN 39 H ASN 39 -4.417 17.253 3.838 325 HA ASN 39 HA ASN 39 -2.594 17.499 6.098 326 HB2 ASN 39 1HB ASN 39 -3.715 15.218 6.318 327 HB3 ASN 39 2HB ASN 39 -2.921 14.754 4.810 328 HD21 ASN 39 1HD2 ASN 39 -2.256 13.104 6.689 329 HD22 ASN 39 2HD2 ASN 39 -0.720 13.470 7.432 330 HA PRO 40 HA PRO 40 -1.456 18.100 1.555 331 HB2 PRO 40 1HB PRO 40 -0.622 20.713 1.567 332 HB3 PRO 40 2HB PRO 40 -2.343 20.240 1.464 333 HG2 PRO 40 1HG PRO 40 -0.782 21.006 3.955 334 HG3 PRO 40 2HG PRO 40 -2.354 21.652 3.387 335 HD2 PRO 40 1HD PRO 40 -2.268 19.653 5.237 336 HD3 PRO 40 2HD PRO 40 -3.481 19.620 3.923 337 H ASN 41 H ASN 41 0.318 18.584 4.509 338 HA ASN 41 HA ASN 41 2.969 18.871 3.407 339 HB2 ASN 41 1HB ASN 41 1.754 18.725 6.030 340 HB3 ASN 41 2HB ASN 41 2.948 17.449 5.944 341 HD21 ASN 41 1HD2 ASN 41 2.480 20.999 5.752 342 HD22 ASN 41 2HD2 ASN 41 4.160 21.391 5.925 343 H GLU 42 H GLU 42 0.744 16.208 3.540 344 HA GLU 42 HA GLU 42 2.862 14.173 3.058 345 HB2 GLU 42 1HB GLU 42 0.179 13.929 4.430 346 HB3 GLU 42 2HB GLU 42 1.318 12.616 4.144 347 HG2 GLU 42 1HG GLU 42 2.196 15.014 5.808 348 HG3 GLU 42 2HG GLU 42 1.169 13.770 6.483 349 H GLY 43 H GLY 43 0.901 16.023 1.267 350 HA2 GLY 43 1HA GLY 43 -0.947 14.218 0.055 351 HA3 GLY 43 2HA GLY 43 -0.398 15.764 -0.605 352 H GLU 44 H GLU 44 2.483 14.881 -0.574 353 HA GLU 44 HA GLU 44 2.541 13.408 -3.122 354 HB2 GLU 44 1HB GLU 44 4.758 14.246 -1.224 355 HB3 GLU 44 2HB GLU 44 5.017 13.336 -2.717 356 HG2 GLU 44 1HG GLU 44 4.023 15.126 -4.051 357 HG3 GLU 44 2HG GLU 44 3.649 16.051 -2.590 358 H LYS 45 H LYS 45 2.898 12.646 0.337 359 HA LYS 45 HA LYS 45 4.029 10.057 -0.016 360 HB2 LYS 45 1HB LYS 45 3.641 11.564 2.159 361 HB3 LYS 45 2HB LYS 45 2.139 10.644 2.267 362 HG2 LYS 45 1HG LYS 45 3.822 8.583 1.816 363 HG3 LYS 45 2HG LYS 45 5.004 9.691 2.467 364 HD2 LYS 45 1HD LYS 45 2.398 9.074 3.932 365 HD3 LYS 45 2HD LYS 45 3.842 8.043 4.082 366 HE2 LYS 45 1HE LYS 45 5.162 10.120 4.700 367 HE3 LYS 45 2HE LYS 45 3.641 11.012 4.688 368 HZ1 LYS 45 3HZ LYS 45 4.660 9.179 6.650 369 HZ2 LYS 45 1HZ LYS 45 3.023 9.046 6.339 370 HZ3 LYS 45 2HZ LYS 45 3.674 10.500 6.780 371 H PHE 46 H PHE 46 0.776 11.219 -0.377 372 HA PHE 46 HA PHE 46 -0.746 8.842 -0.367 373 HB2 PHE 46 1HB PHE 46 -1.293 11.387 -1.004 374 HB3 PHE 46 2HB PHE 46 -1.149 10.780 -2.633 375 HD1 PHE 46 1HD PHE 46 -2.477 8.240 -2.824 376 HD2 PHE 46 2HD PHE 46 -3.488 11.585 -0.281 377 HE1 PHE 46 1HE PHE 46 -4.759 7.395 -2.630 378 HE2 PHE 46 2HE PHE 46 -5.824 10.751 -0.156 379 HZ PHE 46 HZ PHE 46 -6.465 8.654 -1.325 380 H LYS 47 H LYS 47 1.427 10.099 -2.880 381 HA LYS 47 HA LYS 47 0.661 8.342 -4.940 382 HB2 LYS 47 1HB LYS 47 2.248 9.373 -6.145 383 HB3 LYS 47 2HB LYS 47 2.162 10.505 -4.815 384 HG2 LYS 47 1HG LYS 47 4.254 9.271 -3.865 385 HG3 LYS 47 2HG LYS 47 4.359 8.542 -5.474 386 HD2 LYS 47 1HD LYS 47 4.060 11.114 -6.243 387 HD3 LYS 47 2HD LYS 47 4.690 11.417 -4.618 388 HE2 LYS 47 1HE LYS 47 6.644 9.880 -5.234 389 HE3 LYS 47 2HE LYS 47 5.988 9.839 -6.883 390 HZ1 LYS 47 3HZ LYS 47 7.018 12.195 -5.421 391 HZ2 LYS 47 1HZ LYS 47 6.168 12.342 -6.806 392 HZ3 LYS 47 2HZ LYS 47 7.604 11.527 -6.808 393 H GLN 48 H GLN 48 2.997 7.864 -2.389 394 HA GLN 48 HA GLN 48 4.094 5.378 -3.317 395 HB2 GLN 48 1HB GLN 48 3.883 6.794 -0.647 396 HB3 GLN 48 2HB GLN 48 4.471 5.153 -0.701 397 HG2 GLN 48 1HG GLN 48 5.715 7.318 -2.410 398 HG3 GLN 48 2HG GLN 48 6.179 7.079 -0.727 399 HE21 GLN 48 1HE2 GLN 48 8.154 6.002 -0.704 400 HE22 GLN 48 2HE2 GLN 48 8.432 4.494 -1.564 401 H ILE 49 H ILE 49 1.083 6.189 -1.606 402 HA ILE 49 HA ILE 49 0.584 3.555 -0.561 403 HB ILE 49 HB ILE 49 -1.534 5.662 -1.148 404 HG12 ILE 49 1HG1 ILE 49 0.135 5.462 1.399 405 HG13 ILE 49 2HG1 ILE 49 0.293 6.709 0.162 406 HG21 ILE 49 1HG2 ILE 49 -1.357 3.532 1.035 407 HG22 ILE 49 2HG2 ILE 49 -2.765 4.544 0.647 408 HG23 ILE 49 3HG2 ILE 49 -2.236 3.315 -0.497 409 HD11 ILE 49 3HD1 ILE 49 -2.166 7.277 0.524 410 HD12 ILE 49 1HD1 ILE 49 -2.061 6.289 1.998 411 HD13 ILE 49 2HD1 ILE 49 -1.015 7.714 1.793 412 H SER 50 H SER 50 -0.587 5.360 -3.521 413 HA SER 50 HA SER 50 -2.083 3.133 -4.507 414 HB2 SER 50 1HB SER 50 -1.574 4.504 -6.731 415 HB3 SER 50 2HB SER 50 -2.764 5.022 -5.532 416 HG SER 50 HG SER 50 -1.351 6.681 -6.221 417 H GLN 51 H GLN 51 1.321 4.264 -5.127 418 HA GLN 51 HA GLN 51 1.974 2.202 -6.906 419 HB2 GLN 51 1HB GLN 51 3.271 4.400 -5.875 420 HB3 GLN 51 2HB GLN 51 4.062 3.141 -4.962 421 HG2 GLN 51 1HG GLN 51 5.406 3.427 -6.874 422 HG3 GLN 51 2HG GLN 51 4.440 2.010 -7.306 423 HE21 GLN 51 1HE2 GLN 51 3.050 2.201 -9.200 424 HE22 GLN 51 2HE2 GLN 51 2.858 3.746 -10.031 425 H ALA 52 H ALA 52 1.281 1.853 -3.564 426 HA ALA 52 HA ALA 52 2.705 -0.739 -3.396 427 HB1 ALA 52 1HB ALA 52 3.021 0.809 -1.470 428 HB2 ALA 52 2HB ALA 52 1.262 0.905 -1.250 429 HB3 ALA 52 3HB ALA 52 2.107 -0.628 -0.977 430 H TYR 53 H TYR 53 -0.586 0.659 -2.936 431 HA TYR 53 HA TYR 53 -1.940 -1.775 -2.581 432 HB2 TYR 53 1HB TYR 53 -2.969 0.493 -2.348 433 HB3 TYR 53 2HB TYR 53 -2.850 0.719 -4.084 434 HD1 TYR 53 1HD TYR 53 -4.429 -1.400 -1.421 435 HD2 TYR 53 2HD TYR 53 -4.504 -0.250 -5.579 436 HE1 TYR 53 1HE TYR 53 -6.664 -2.400 -1.670 437 HE2 TYR 53 2HE TYR 53 -6.745 -1.216 -5.829 438 HH TYR 53 HH TYR 53 -8.202 -2.919 -4.658 439 H GLU 54 H GLU 54 -0.751 -0.204 -5.512 440 HA GLU 54 HA GLU 54 -2.446 -1.581 -7.354 441 HB2 GLU 54 1HB GLU 54 -1.269 0.612 -7.708 442 HB3 GLU 54 2HB GLU 54 0.274 -0.246 -7.775 443 HG2 GLU 54 1HG GLU 54 -0.443 0.233 -9.986 444 HG3 GLU 54 2HG GLU 54 -0.546 -1.485 -9.783 445 H VAL 55 H VAL 55 0.667 -2.394 -5.902 446 HA VAL 55 HA VAL 55 1.394 -4.376 -7.916 447 HB VAL 55 HB VAL 55 2.478 -4.480 -5.121 448 HG11 VAL 55 1HG1 VAL 55 3.970 -4.514 -7.769 449 HG12 VAL 55 2HG1 VAL 55 4.519 -5.078 -6.178 450 HG13 VAL 55 3HG1 VAL 55 3.281 -5.971 -7.045 451 HG21 VAL 55 3HG2 VAL 55 4.097 -2.658 -5.756 452 HG22 VAL 55 1HG2 VAL 55 2.874 -2.137 -6.957 453 HG23 VAL 55 2HG2 VAL 55 2.498 -2.242 -5.196 454 H LEU 56 H LEU 56 -0.145 -4.331 -4.629 455 HA LEU 56 HA LEU 56 -0.435 -7.164 -4.660 456 HB2 LEU 56 1HB LEU 56 -1.783 -5.010 -2.998 457 HB3 LEU 56 2HB LEU 56 -1.879 -6.752 -2.746 458 HG LEU 56 HG LEU 56 -0.395 -5.857 -1.186 459 HD11 LEU 56 1HD1 LEU 56 1.450 -7.301 -1.361 460 HD12 LEU 56 2HD1 LEU 56 1.451 -7.223 -3.121 461 HD13 LEU 56 3HD1 LEU 56 0.156 -8.108 -2.288 462 HD21 LEU 56 3HD2 LEU 56 0.306 -3.853 -1.997 463 HD22 LEU 56 1HD2 LEU 56 1.523 -4.672 -3.034 464 HD23 LEU 56 2HD2 LEU 56 1.546 -4.835 -1.246 465 H SER 57 H SER 57 -2.419 -4.515 -5.813 466 HA SER 57 HA SER 57 -4.937 -5.693 -5.701 467 HB2 SER 57 1HB SER 57 -4.295 -3.277 -5.929 468 HB3 SER 57 2HB SER 57 -3.931 -3.562 -7.637 469 HG SER 57 HG SER 57 -6.044 -3.560 -8.017 470 H ASP 58 H ASP 58 -2.434 -6.303 -8.054 471 HA ASP 58 HA ASP 58 -4.315 -7.428 -10.090 472 HB2 ASP 58 1HB ASP 58 -2.466 -5.697 -10.665 473 HB3 ASP 58 2HB ASP 58 -1.321 -6.864 -10.206 474 H ALA 59 H ALA 59 -4.408 -9.783 -9.981 475 HA ALA 59 HA ALA 59 -2.832 -11.137 -8.035 476 HB1 ALA 59 1HB ALA 59 -4.918 -12.114 -8.868 477 HB2 ALA 59 2HB ALA 59 -4.175 -12.364 -10.471 478 HB3 ALA 59 3HB ALA 59 -3.546 -13.218 -9.049 479 H LYS 60 H LYS 60 -2.133 -10.553 -11.590 480 HA LYS 60 HA LYS 60 0.099 -12.213 -11.779 481 HB2 LYS 60 1HB LYS 60 -0.906 -9.691 -13.113 482 HB3 LYS 60 2HB LYS 60 0.700 -10.292 -13.439 483 HG2 LYS 60 1HG LYS 60 -0.299 -12.518 -14.054 484 HG3 LYS 60 2HG LYS 60 -1.904 -11.744 -13.957 485 HD2 LYS 60 1HD LYS 60 -0.957 -10.010 -15.613 486 HD3 LYS 60 2HD LYS 60 0.432 -11.081 -15.792 487 HE2 LYS 60 1HE LYS 60 -2.454 -11.564 -16.591 488 HE3 LYS 60 2HE LYS 60 -1.029 -11.482 -17.631 489 HZ1 LYS 60 3HZ LYS 60 -1.810 -13.642 -15.797 490 HZ2 LYS 60 1HZ LYS 60 -0.300 -13.603 -16.484 491 HZ3 LYS 60 2HZ LYS 60 -1.652 -13.720 -17.411 492 H LYS 61 H LYS 61 -0.039 -8.737 -10.800 493 HA LYS 61 HA LYS 61 2.808 -8.648 -10.248 494 HB2 LYS 61 1HB LYS 61 0.533 -6.904 -9.254 495 HB3 LYS 61 2HB LYS 61 2.219 -6.613 -8.905 496 HG2 LYS 61 1HG LYS 61 2.034 -6.858 -11.736 497 HG3 LYS 61 2HG LYS 61 0.640 -5.895 -11.242 498 HD2 LYS 61 1HD LYS 61 3.296 -5.114 -10.068 499 HD3 LYS 61 2HD LYS 61 3.003 -4.779 -11.764 500 HE2 LYS 61 1HE LYS 61 1.047 -3.472 -11.330 501 HE3 LYS 61 2HE LYS 61 1.005 -3.944 -9.644 502 HZ1 LYS 61 3HZ LYS 61 3.303 -2.786 -9.531 503 HZ2 LYS 61 1HZ LYS 61 1.982 -1.814 -9.694 504 HZ3 LYS 61 2HZ LYS 61 2.912 -2.138 -10.981 505 H ARG 62 H ARG 62 -0.081 -9.224 -8.204 506 HA ARG 62 HA ARG 62 1.322 -9.615 -5.774 507 HB2 ARG 62 1HB ARG 62 -1.312 -9.778 -6.471 508 HB3 ARG 62 2HB ARG 62 -0.956 -11.458 -6.096 509 HG2 ARG 62 1HG ARG 62 -0.354 -9.137 -4.256 510 HG3 ARG 62 2HG ARG 62 -1.831 -10.073 -4.238 511 HD2 ARG 62 1HD ARG 62 -0.374 -12.130 -3.832 512 HD3 ARG 62 2HD ARG 62 0.903 -10.925 -3.500 513 HE ARG 62 HE ARG 62 -0.144 -10.117 -1.639 514 HH11 ARG 62 1HH1 ARG 62 -1.724 -13.158 -2.788 515 HH12 ARG 62 2HH1 ARG 62 -2.599 -13.315 -1.305 516 HH21 ARG 62 1HH2 ARG 62 -1.194 -10.552 0.319 517 HH22 ARG 62 2HH2 ARG 62 -2.279 -11.912 0.425 518 H GLU 63 H GLU 63 0.809 -12.153 -8.283 519 HA GLU 63 HA GLU 63 2.045 -14.214 -6.743 520 HB2 GLU 63 1HB GLU 63 1.901 -13.916 -9.779 521 HB3 GLU 63 2HB GLU 63 2.397 -15.363 -8.901 522 HG2 GLU 63 1HG GLU 63 -0.036 -14.954 -7.735 523 HG3 GLU 63 2HG GLU 63 -0.338 -14.264 -9.330 524 H LEU 64 H LEU 64 3.402 -12.038 -9.279 525 HA LEU 64 HA LEU 64 6.044 -13.086 -9.075 526 HB2 LEU 64 1HB LEU 64 4.842 -10.559 -10.181 527 HB3 LEU 64 2HB LEU 64 6.568 -10.542 -9.820 528 HG LEU 64 HG LEU 64 6.973 -12.497 -11.218 529 HD11 LEU 64 1HD1 LEU 64 3.987 -12.390 -11.837 530 HD12 LEU 64 2HD1 LEU 64 4.886 -13.731 -11.074 531 HD13 LEU 64 3HD1 LEU 64 5.186 -13.338 -12.754 532 HD21 LEU 64 3HD2 LEU 64 5.403 -10.311 -12.640 533 HD22 LEU 64 1HD2 LEU 64 6.547 -11.432 -13.405 534 HD23 LEU 64 2HD2 LEU 64 7.128 -10.274 -12.207 535 H TYR 65 H TYR 65 4.446 -10.513 -7.222 536 HA TYR 65 HA TYR 65 6.664 -9.649 -5.652 537 HB2 TYR 65 1HB TYR 65 4.727 -8.320 -5.839 538 HB3 TYR 65 2HB TYR 65 3.684 -9.648 -5.330 539 HD1 TYR 65 1HD TYR 65 6.355 -7.345 -4.068 540 HD2 TYR 65 2HD TYR 65 3.021 -9.926 -3.111 541 HE1 TYR 65 1HE TYR 65 6.317 -6.434 -1.784 542 HE2 TYR 65 2HE TYR 65 3.037 -9.068 -0.784 543 HH TYR 65 HH TYR 65 5.423 -6.665 0.318 544 H ASP 66 H ASP 66 4.335 -12.308 -5.109 545 HA ASP 66 HA ASP 66 5.011 -12.942 -2.454 546 HB2 ASP 66 1HB ASP 66 3.126 -13.834 -3.838 547 HB3 ASP 66 2HB ASP 66 4.273 -14.829 -4.723 548 H LYS 67 H LYS 67 6.588 -13.745 -5.460 549 HA LYS 67 HA LYS 67 8.877 -15.036 -4.001 550 HB2 LYS 67 1HB LYS 67 9.141 -16.507 -5.930 551 HB3 LYS 67 2HB LYS 67 7.600 -16.709 -5.131 552 HG2 LYS 67 1HG LYS 67 6.373 -15.805 -6.876 553 HG3 LYS 67 2HG LYS 67 7.691 -14.796 -7.476 554 HD2 LYS 67 1HD LYS 67 7.661 -17.825 -7.704 555 HD3 LYS 67 2HD LYS 67 7.053 -16.720 -8.932 556 HE2 LYS 67 1HE LYS 67 9.101 -16.228 -9.712 557 HE3 LYS 67 2HE LYS 67 9.714 -15.879 -8.093 558 HZ1 LYS 67 3HZ LYS 67 10.922 -17.691 -9.072 559 HZ2 LYS 67 1HZ LYS 67 9.541 -18.593 -9.264 560 HZ3 LYS 67 2HZ LYS 67 10.108 -18.230 -7.758 561 H GLY 68 H GLY 68 8.677 -12.096 -4.932 562 HA2 GLY 68 1HA GLY 68 11.347 -11.786 -5.793 563 HA3 GLY 68 2HA GLY 68 10.388 -11.929 -7.255 564 H GLY 69 H GLY 69 8.372 -10.490 -7.254 565 HA2 GLY 69 1HA GLY 69 7.381 -8.390 -7.130 566 HA3 GLY 69 2HA GLY 69 8.661 -7.837 -6.044 567 H GLU 70 H GLU 70 10.525 -9.025 -8.431 568 HA GLU 70 HA GLU 70 10.384 -6.651 -10.141 569 HB2 GLU 70 1HB GLU 70 11.658 -6.397 -7.881 570 HB3 GLU 70 2HB GLU 70 12.937 -7.331 -8.658 571 HG2 GLU 70 1HG GLU 70 13.298 -5.660 -10.306 572 HG3 GLU 70 2HG GLU 70 11.701 -4.952 -10.095 573 H GLN 71 H GLN 71 10.143 -9.673 -10.265 574 HA GLN 71 HA GLN 71 10.010 -11.045 -12.022 575 HB2 GLN 71 1HB GLN 71 11.767 -9.175 -13.649 576 HB3 GLN 71 2HB GLN 71 10.720 -10.459 -14.234 577 HG2 GLN 71 1HG GLN 71 8.735 -9.202 -13.578 578 HG3 GLN 71 2HG GLN 71 9.720 -7.963 -12.799 579 HE21 GLN 71 1HE2 GLN 71 8.389 -6.550 -14.388 580 HE22 GLN 71 2HE2 GLN 71 9.086 -6.368 -16.002 Start of MODEL 11 1 H1 GLY 1 H GLY 1 14.711 6.256 15.733 2 HA2 GLY 1 1HA GLY 1 16.140 4.309 15.093 3 HA3 GLY 1 2HA GLY 1 14.605 3.524 14.629 4 H MET 2 H MET 2 15.549 3.343 12.465 5 HA MET 2 HA MET 2 15.100 5.727 10.812 6 HB2 MET 2 1HB MET 2 17.389 5.605 9.865 7 HB3 MET 2 2HB MET 2 17.378 6.066 11.553 8 HG2 MET 2 1HG MET 2 17.967 3.242 10.595 9 HG3 MET 2 2HG MET 2 19.190 4.480 10.857 10 HE1 MET 2 3HE MET 2 19.863 2.007 13.822 11 HE2 MET 2 1HE MET 2 19.377 1.617 12.156 12 HE3 MET 2 2HE MET 2 20.585 2.892 12.460 13 H VAL 3 H VAL 3 14.087 2.809 11.062 14 HA VAL 3 HA VAL 3 14.621 1.778 8.342 15 HB VAL 3 HB VAL 3 12.696 0.876 10.513 16 HG11 VAL 3 1HG1 VAL 3 11.790 0.277 8.298 17 HG12 VAL 3 2HG1 VAL 3 13.361 -0.419 7.830 18 HG13 VAL 3 3HG1 VAL 3 12.391 -1.163 9.113 19 HG21 VAL 3 3HG2 VAL 3 15.273 -0.391 9.513 20 HG22 VAL 3 1HG2 VAL 3 15.056 0.425 11.085 21 HG23 VAL 3 2HG2 VAL 3 14.181 -1.071 10.734 22 H LYS 4 H LYS 4 13.842 3.330 6.843 23 HA LYS 4 HA LYS 4 10.917 3.520 6.877 24 HB2 LYS 4 1HB LYS 4 11.021 5.720 5.748 25 HB3 LYS 4 2HB LYS 4 11.428 5.734 7.456 26 HG2 LYS 4 1HG LYS 4 13.732 5.528 5.546 27 HG3 LYS 4 2HG LYS 4 12.854 7.057 5.571 28 HD2 LYS 4 1HD LYS 4 13.371 7.511 7.817 29 HD3 LYS 4 2HD LYS 4 13.726 5.836 8.190 30 HE2 LYS 4 1HE LYS 4 15.789 7.133 8.144 31 HE3 LYS 4 2HE LYS 4 15.783 5.882 6.906 32 HZ1 LYS 4 3HZ LYS 4 15.269 8.770 6.434 33 HZ2 LYS 4 1HZ LYS 4 15.236 7.596 5.267 34 HZ3 LYS 4 2HZ LYS 4 16.629 7.946 6.078 35 H GLU 5 H GLU 5 12.578 1.503 5.942 36 HA GLU 5 HA GLU 5 11.663 1.531 3.186 37 HB2 GLU 5 1HB GLU 5 13.608 0.357 2.351 38 HB3 GLU 5 2HB GLU 5 14.107 1.887 3.058 39 HG2 GLU 5 1HG GLU 5 14.589 0.438 5.221 40 HG3 GLU 5 2HG GLU 5 14.549 -0.936 4.104 41 H THR 6 H THR 6 9.989 0.059 3.299 42 HA THR 6 HA THR 6 10.546 -2.558 4.350 43 HB THR 6 HB THR 6 8.016 -1.182 5.309 44 HG1 THR 6 1HG THR 6 10.595 -0.947 6.373 45 HG21 THR 6 3HG2 THR 6 8.263 -2.882 7.094 46 HG22 THR 6 1HG2 THR 6 9.767 -3.438 6.324 47 HG23 THR 6 2HG2 THR 6 8.206 -3.608 5.478 48 H THR 7 H THR 7 8.773 -4.051 3.449 49 HA THR 7 HA THR 7 8.252 -3.245 0.785 50 HB THR 7 HB THR 7 8.588 -5.566 1.617 51 HG1 THR 7 1HG THR 7 7.592 -6.324 -0.125 52 HG21 THR 7 3HG2 THR 7 5.592 -5.564 2.073 53 HG22 THR 7 1HG2 THR 7 6.806 -5.620 3.375 54 HG23 THR 7 2HG2 THR 7 6.695 -6.945 2.193 55 H TYR 8 H TYR 8 6.032 -3.766 -0.081 56 HA TYR 8 HA TYR 8 4.586 -1.348 0.164 57 HB2 TYR 8 1HB TYR 8 3.766 -4.038 -0.992 58 HB3 TYR 8 2HB TYR 8 2.821 -2.583 -1.226 59 HD1 TYR 8 2HD TYR 8 5.184 -0.592 -1.652 60 HD2 TYR 8 1HD TYR 8 4.339 -4.523 -3.247 61 HE1 TYR 8 2HE TYR 8 6.486 -0.068 -3.608 62 HE2 TYR 8 1HE TYR 8 5.698 -4.005 -5.226 63 HH TYR 8 HH TYR 8 7.032 -2.403 -6.318 64 H TYR 9 H TYR 9 4.023 -4.326 1.888 65 HA TYR 9 HA TYR 9 1.417 -3.787 2.829 66 HB2 TYR 9 1HB TYR 9 3.759 -5.363 3.984 67 HB3 TYR 9 2HB TYR 9 2.113 -5.428 4.631 68 HD1 TYR 9 2HD TYR 9 0.388 -5.519 2.241 69 HD2 TYR 9 1HD TYR 9 4.181 -7.473 2.955 70 HE1 TYR 9 2HE TYR 9 -0.282 -7.357 0.777 71 HE2 TYR 9 1HE TYR 9 3.503 -9.325 1.478 72 HH TYR 9 HH TYR 9 0.169 -9.527 0.183 73 H ASP 10 H ASP 10 4.595 -2.817 4.278 74 HA ASP 10 HA ASP 10 3.159 -1.707 6.550 75 HB2 ASP 10 1HB ASP 10 5.983 -2.117 5.900 76 HB3 ASP 10 2HB ASP 10 5.705 -0.531 6.609 77 H VAL 11 H VAL 11 3.996 -0.414 3.412 78 HA VAL 11 HA VAL 11 3.697 2.357 3.990 79 HB VAL 11 HB VAL 11 2.653 0.835 1.550 80 HG11 VAL 11 1HG1 VAL 11 1.642 3.029 1.636 81 HG12 VAL 11 2HG1 VAL 11 3.231 3.793 1.900 82 HG13 VAL 11 3HG1 VAL 11 2.856 2.990 0.358 83 HG21 VAL 11 3HG2 VAL 11 4.745 1.591 0.410 84 HG22 VAL 11 1HG2 VAL 11 5.362 2.140 1.984 85 HG23 VAL 11 2HG2 VAL 11 5.022 0.418 1.694 86 H LEU 12 H LEU 12 1.336 -0.183 3.348 87 HA LEU 12 HA LEU 12 -0.945 1.576 3.782 88 HB2 LEU 12 1HB LEU 12 -0.575 -1.410 3.233 89 HB3 LEU 12 2HB LEU 12 -2.161 -0.662 3.332 90 HG LEU 12 HG LEU 12 -0.132 0.527 1.404 91 HD11 LEU 12 1HD1 LEU 12 -1.692 -2.031 0.975 92 HD12 LEU 12 2HD1 LEU 12 0.044 -1.794 0.879 93 HD13 LEU 12 3HD1 LEU 12 -0.981 -1.051 -0.346 94 HD21 LEU 12 3HD2 LEU 12 -2.238 1.702 1.813 95 HD22 LEU 12 1HD2 LEU 12 -3.161 0.262 1.413 96 HD23 LEU 12 2HD2 LEU 12 -2.171 1.065 0.157 97 H GLY 13 H GLY 13 1.134 0.549 6.013 98 HA2 GLY 13 1HA GLY 13 1.042 0.118 8.242 99 HA3 GLY 13 2HA GLY 13 -0.591 0.818 8.209 100 H VAL 14 H VAL 14 0.163 -2.068 6.278 101 HA VAL 14 HA VAL 14 -1.688 -3.568 8.047 102 HB VAL 14 HB VAL 14 -2.345 -2.901 5.614 103 HG11 VAL 14 1HG1 VAL 14 -1.869 -4.570 3.882 104 HG12 VAL 14 2HG1 VAL 14 -0.401 -3.731 4.376 105 HG13 VAL 14 3HG1 VAL 14 -0.707 -5.383 4.941 106 HG21 VAL 14 3HG2 VAL 14 -2.697 -5.667 6.772 107 HG22 VAL 14 1HG2 VAL 14 -3.722 -4.256 7.030 108 HG23 VAL 14 2HG2 VAL 14 -3.671 -5.014 5.435 109 H LYS 15 H LYS 15 -0.920 -5.481 8.939 110 HA LYS 15 HA LYS 15 1.888 -5.932 8.868 111 HB2 LYS 15 1HB LYS 15 1.334 -8.257 9.778 112 HB3 LYS 15 2HB LYS 15 1.030 -6.831 10.739 113 HG2 LYS 15 1HG LYS 15 -0.678 -8.616 10.895 114 HG3 LYS 15 2HG LYS 15 -1.309 -7.022 10.559 115 HD2 LYS 15 1HD LYS 15 -1.694 -7.553 8.265 116 HD3 LYS 15 2HD LYS 15 -0.835 -9.098 8.388 117 HE2 LYS 15 1HE LYS 15 -3.288 -8.471 10.052 118 HE3 LYS 15 2HE LYS 15 -3.450 -9.003 8.389 119 HZ1 LYS 15 3HZ LYS 15 -3.597 -10.864 9.825 120 HZ2 LYS 15 1HZ LYS 15 -2.167 -10.574 10.554 121 HZ3 LYS 15 2HZ LYS 15 -2.242 -11.025 8.949 122 HA PRO 16 HA PRO 16 2.388 -7.796 4.958 123 HB2 PRO 16 1HB PRO 16 4.590 -9.428 5.264 124 HB3 PRO 16 2HB PRO 16 4.676 -7.641 5.244 125 HG2 PRO 16 1HG PRO 16 4.527 -9.454 7.665 126 HG3 PRO 16 2HG PRO 16 5.678 -8.107 7.363 127 HD2 PRO 16 1HD PRO 16 3.453 -7.742 8.865 128 HD3 PRO 16 2HD PRO 16 3.983 -6.477 7.711 129 H ASN 17 H ASN 17 1.470 -9.681 7.622 130 HA ASN 17 HA ASN 17 0.860 -12.108 6.046 131 HB2 ASN 17 1HB ASN 17 0.768 -11.422 9.002 132 HB3 ASN 17 2HB ASN 17 0.051 -12.895 8.350 133 HD21 ASN 17 1HD2 ASN 17 1.362 -14.667 7.834 134 HD22 ASN 17 2HD2 ASN 17 3.102 -14.590 7.922 135 H ALA 18 H ALA 18 -0.491 -9.619 5.282 136 HA ALA 18 HA ALA 18 -3.285 -10.034 6.209 137 HB1 ALA 18 1HB ALA 18 -1.999 -7.860 4.499 138 HB2 ALA 18 2HB ALA 18 -3.707 -7.906 5.002 139 HB3 ALA 18 3HB ALA 18 -2.433 -7.745 6.215 140 H THR 19 H THR 19 -5.026 -10.256 4.693 141 HA THR 19 HA THR 19 -4.356 -11.779 2.298 142 HB THR 19 HB THR 19 -6.934 -12.218 2.690 143 HG1 THR 19 1HG THR 19 -7.374 -11.964 4.961 144 HG21 THR 19 3HG2 THR 19 -5.048 -13.850 3.247 145 HG22 THR 19 1HG2 THR 19 -6.420 -13.951 4.360 146 HG23 THR 19 2HG2 THR 19 -4.941 -13.099 4.845 147 H GLN 20 H GLN 20 -5.984 -11.482 0.421 148 HA GLN 20 HA GLN 20 -5.590 -9.021 -0.805 149 HB2 GLN 20 1HB GLN 20 -7.918 -10.945 -1.268 150 HB3 GLN 20 2HB GLN 20 -7.432 -9.697 -2.364 151 HG2 GLN 20 1HG GLN 20 -5.779 -12.141 -1.637 152 HG3 GLN 20 2HG GLN 20 -6.708 -11.910 -3.112 153 HE21 GLN 20 1HE2 GLN 20 -5.837 -8.948 -3.344 154 HE22 GLN 20 2HE2 GLN 20 -4.176 -9.022 -3.816 155 H GLU 21 H GLU 21 -8.366 -10.076 1.138 156 HA GLU 21 HA GLU 21 -9.984 -7.771 0.436 157 HB2 GLU 21 1HB GLU 21 -10.364 -9.896 2.590 158 HB3 GLU 21 2HB GLU 21 -11.594 -8.799 1.938 159 HG2 GLU 21 1HG GLU 21 -11.163 -9.756 -0.347 160 HG3 GLU 21 2HG GLU 21 -10.148 -10.994 0.389 161 H GLU 22 H GLU 22 -7.880 -8.714 3.085 162 HA GLU 22 HA GLU 22 -8.592 -6.626 4.950 163 HB2 GLU 22 1HB GLU 22 -6.134 -8.401 4.656 164 HB3 GLU 22 2HB GLU 22 -6.291 -7.139 5.892 165 HG2 GLU 22 1HG GLU 22 -8.493 -8.247 6.577 166 HG3 GLU 22 2HG GLU 22 -8.067 -9.592 5.535 167 H LEU 23 H LEU 23 -6.036 -6.911 2.423 168 HA LEU 23 HA LEU 23 -4.847 -4.401 2.527 169 HB2 LEU 23 1HB LEU 23 -5.461 -6.378 0.339 170 HB3 LEU 23 2HB LEU 23 -5.027 -4.767 -0.167 171 HG LEU 23 HG LEU 23 -3.175 -6.317 -0.222 172 HD11 LEU 23 1HD1 LEU 23 -2.666 -3.976 -0.029 173 HD12 LEU 23 2HD1 LEU 23 -1.483 -4.899 0.894 174 HD13 LEU 23 3HD1 LEU 23 -2.786 -4.034 1.742 175 HD21 LEU 23 3HD2 LEU 23 -3.497 -7.821 1.488 176 HD22 LEU 23 1HD2 LEU 23 -3.571 -6.557 2.753 177 HD23 LEU 23 2HD2 LEU 23 -2.048 -6.943 1.953 178 H LYS 24 H LYS 24 -7.749 -5.233 0.575 179 HA LYS 24 HA LYS 24 -8.114 -2.736 -0.567 180 HB2 LYS 24 1HB LYS 24 -9.247 -4.779 -1.237 181 HB3 LYS 24 2HB LYS 24 -10.231 -4.792 0.224 182 HG2 LYS 24 1HG LYS 24 -10.312 -2.387 -1.635 183 HG3 LYS 24 2HG LYS 24 -11.128 -3.881 -2.093 184 HD2 LYS 24 1HD LYS 24 -12.323 -3.776 0.182 185 HD3 LYS 24 2HD LYS 24 -11.737 -2.106 0.305 186 HE2 LYS 24 1HE LYS 24 -13.372 -3.268 -1.989 187 HE3 LYS 24 2HE LYS 24 -14.058 -2.321 -0.667 188 HZ1 LYS 24 3HZ LYS 24 -11.972 -1.218 -2.472 189 HZ2 LYS 24 1HZ LYS 24 -13.053 -0.392 -1.486 190 HZ3 LYS 24 2HZ LYS 24 -13.570 -1.180 -2.794 191 H LYS 25 H LYS 25 -9.380 -3.757 2.599 192 HA LYS 25 HA LYS 25 -10.756 -1.186 3.091 193 HB2 LYS 25 1HB LYS 25 -10.057 -3.526 4.892 194 HB3 LYS 25 2HB LYS 25 -10.951 -2.076 5.392 195 HG2 LYS 25 1HG LYS 25 -12.625 -2.528 3.553 196 HG3 LYS 25 2HG LYS 25 -11.796 -4.068 3.222 197 HD2 LYS 25 1HD LYS 25 -12.156 -4.730 5.562 198 HD3 LYS 25 2HD LYS 25 -12.976 -3.199 5.879 199 HE2 LYS 25 1HE LYS 25 -13.943 -5.304 3.864 200 HE3 LYS 25 2HE LYS 25 -14.466 -5.212 5.551 201 HZ1 LYS 25 3HZ LYS 25 -16.095 -4.058 4.437 202 HZ2 LYS 25 1HZ LYS 25 -15.096 -3.300 3.412 203 HZ3 LYS 25 2HZ LYS 25 -15.167 -2.867 5.004 204 H ALA 26 H ALA 26 -7.488 -2.548 3.781 205 HA ALA 26 HA ALA 26 -6.718 -0.588 5.701 206 HB1 ALA 26 1HB ALA 26 -4.941 -2.173 3.810 207 HB2 ALA 26 2HB ALA 26 -4.457 -1.329 5.286 208 HB3 ALA 26 3HB ALA 26 -5.529 -2.741 5.392 209 H TYR 27 H TYR 27 -6.237 -0.729 2.091 210 HA TYR 27 HA TYR 27 -4.952 1.681 1.750 211 HB2 TYR 27 1HB TYR 27 -5.511 0.203 -0.148 212 HB3 TYR 27 2HB TYR 27 -7.224 0.561 0.035 213 HD1 TYR 27 1HD TYR 27 -4.031 2.498 -0.157 214 HD2 TYR 27 2HD TYR 27 -8.032 2.061 -1.593 215 HE1 TYR 27 1HE TYR 27 -3.638 4.396 -1.735 216 HE2 TYR 27 2HE TYR 27 -7.650 3.980 -3.220 217 HH TYR 27 HH TYR 27 -6.082 5.529 -4.099 218 H ARG 28 H ARG 28 -8.541 1.334 1.852 219 HA ARG 28 HA ARG 28 -8.976 4.111 1.589 220 HB2 ARG 28 1HB ARG 28 -10.647 1.779 2.543 221 HB3 ARG 28 2HB ARG 28 -11.284 3.393 2.720 222 HG2 ARG 28 1HG ARG 28 -10.381 3.528 0.112 223 HG3 ARG 28 2HG ARG 28 -10.728 1.805 0.248 224 HD2 ARG 28 1HD ARG 28 -12.697 2.717 -0.590 225 HD3 ARG 28 2HD ARG 28 -13.053 2.520 1.114 226 HE ARG 28 HE ARG 28 -13.127 4.817 1.405 227 HH11 ARG 28 1HH1 ARG 28 -11.940 4.086 -1.854 228 HH12 ARG 28 2HH1 ARG 28 -12.263 5.636 -2.515 229 HH21 ARG 28 1HH2 ARG 28 -13.456 7.059 0.519 230 HH22 ARG 28 2HH2 ARG 28 -13.251 7.252 -1.183 231 H LYS 29 H LYS 29 -8.248 2.295 4.532 232 HA LYS 29 HA LYS 29 -9.006 4.342 6.426 233 HB2 LYS 29 1HB LYS 29 -6.973 2.047 6.602 234 HB3 LYS 29 2HB LYS 29 -7.364 3.116 7.954 235 HG2 LYS 29 1HG LYS 29 -9.579 2.405 8.066 236 HG3 LYS 29 2HG LYS 29 -9.556 1.825 6.406 237 HD2 LYS 29 1HD LYS 29 -9.871 0.019 7.934 238 HD3 LYS 29 2HD LYS 29 -8.437 -0.183 6.951 239 HE2 LYS 29 1HE LYS 29 -6.967 0.208 8.782 240 HE3 LYS 29 2HE LYS 29 -8.265 0.845 9.804 241 HZ1 LYS 29 3HZ LYS 29 -9.087 -1.261 10.176 242 HZ2 LYS 29 1HZ LYS 29 -7.502 -1.562 10.144 243 HZ3 LYS 29 2HZ LYS 29 -8.393 -1.936 8.823 244 H LEU 30 H LEU 30 -5.831 3.422 5.259 245 HA LEU 30 HA LEU 30 -4.574 5.806 6.289 246 HB2 LEU 30 1HB LEU 30 -3.564 3.833 4.266 247 HB3 LEU 30 2HB LEU 30 -2.663 5.255 4.739 248 HG LEU 30 HG LEU 30 -1.764 3.459 5.954 249 HD11 LEU 30 1HD1 LEU 30 -1.907 4.180 8.222 250 HD12 LEU 30 2HD1 LEU 30 -3.522 4.865 8.005 251 HD13 LEU 30 3HD1 LEU 30 -2.121 5.631 7.237 252 HD21 LEU 30 3HD2 LEU 30 -4.502 2.786 7.088 253 HD22 LEU 30 1HD2 LEU 30 -2.965 1.965 7.389 254 HD23 LEU 30 2HD2 LEU 30 -3.665 1.911 5.767 255 H ALA 31 H ALA 31 -5.987 5.133 3.083 256 HA ALA 31 HA ALA 31 -5.094 7.462 1.771 257 HB1 ALA 31 1HB ALA 31 -6.222 5.667 0.567 258 HB2 ALA 31 2HB ALA 31 -7.705 5.920 1.519 259 HB3 ALA 31 3HB ALA 31 -7.169 7.157 0.383 260 H LEU 32 H LEU 32 -7.818 7.023 4.085 261 HA LEU 32 HA LEU 32 -8.737 9.762 3.822 262 HB2 LEU 32 1HB LEU 32 -9.216 7.556 5.862 263 HB3 LEU 32 2HB LEU 32 -9.908 9.153 6.024 264 HG LEU 32 HG LEU 32 -10.365 7.446 3.544 265 HD11 LEU 32 1HD1 LEU 32 -11.216 6.244 5.523 266 HD12 LEU 32 2HD1 LEU 32 -12.547 6.844 4.517 267 HD13 LEU 32 3HD1 LEU 32 -12.124 7.692 6.018 268 HD21 LEU 32 3HD2 LEU 32 -12.328 8.920 3.264 269 HD22 LEU 32 1HD2 LEU 32 -10.822 9.835 3.200 270 HD23 LEU 32 2HD2 LEU 32 -11.815 9.874 4.668 271 H LYS 33 H LYS 33 -6.224 8.149 5.753 272 HA LYS 33 HA LYS 33 -5.905 10.317 7.625 273 HB2 LYS 33 1HB LYS 33 -5.092 8.040 8.152 274 HB3 LYS 33 2HB LYS 33 -4.060 8.013 6.764 275 HG2 LYS 33 1HG LYS 33 -2.741 8.427 8.729 276 HG3 LYS 33 2HG LYS 33 -2.712 9.866 7.715 277 HD2 LYS 33 1HD LYS 33 -3.585 11.156 9.385 278 HD3 LYS 33 2HD LYS 33 -4.922 10.041 9.613 279 HE2 LYS 33 1HE LYS 33 -3.880 10.117 11.705 280 HE3 LYS 33 2HE LYS 33 -3.405 8.565 11.000 281 HZ1 LYS 33 3HZ LYS 33 -1.798 11.024 11.176 282 HZ2 LYS 33 1HZ LYS 33 -1.292 9.704 10.344 283 HZ3 LYS 33 2HZ LYS 33 -1.530 9.591 11.969 284 H TYR 34 H TYR 34 -3.875 9.286 4.837 285 HA TYR 34 HA TYR 34 -2.481 11.823 4.797 286 HB2 TYR 34 1HB TYR 34 -2.413 9.445 2.906 287 HB3 TYR 34 2HB TYR 34 -1.253 10.766 2.933 288 HD1 TYR 34 2HD TYR 34 0.060 11.196 5.148 289 HD2 TYR 34 1HD TYR 34 -1.993 7.511 4.280 290 HE1 TYR 34 2HE TYR 34 1.596 10.025 6.628 291 HE2 TYR 34 1HE TYR 34 -0.531 6.315 5.844 292 HH TYR 34 HH TYR 34 1.384 6.399 7.098 293 H HIS 35 H HIS 35 -5.558 11.493 3.848 294 HA HIS 35 HA HIS 35 -5.682 11.898 1.159 295 HB2 HIS 35 1HB HIS 35 -7.501 11.606 3.124 296 HB3 HIS 35 2HB HIS 35 -7.609 13.344 3.006 297 HD1 HIS 35 1HD HIS 35 -9.615 13.984 1.472 298 HD2 HIS 35 2HD HIS 35 -7.672 10.386 0.418 299 HE1 HIS 35 1HE HIS 35 -10.667 13.225 -0.643 300 HA PRO 36 HA PRO 36 -3.783 15.753 0.533 301 HB2 PRO 36 1HB PRO 36 -4.943 16.764 -1.774 302 HB3 PRO 36 2HB PRO 36 -3.786 15.394 -1.734 303 HG2 PRO 36 1HG PRO 36 -6.812 15.322 -1.853 304 HG3 PRO 36 2HG PRO 36 -5.639 14.361 -2.807 305 HD2 PRO 36 1HD PRO 36 -6.832 13.314 -0.628 306 HD3 PRO 36 2HD PRO 36 -5.099 13.010 -0.957 307 H ASP 37 H ASP 37 -7.311 16.074 0.044 308 HA ASP 37 HA ASP 37 -7.538 18.814 0.314 309 HB2 ASP 37 1HB ASP 37 -9.227 16.963 -0.434 310 HB3 ASP 37 2HB ASP 37 -9.644 16.840 1.259 311 H LYS 38 H LYS 38 -6.985 16.526 2.832 312 HA LYS 38 HA LYS 38 -7.327 18.574 4.973 313 HB2 LYS 38 1HB LYS 38 -8.295 15.721 4.724 314 HB3 LYS 38 2HB LYS 38 -7.990 16.367 6.325 315 HG2 LYS 38 1HG LYS 38 -9.722 17.787 4.293 316 HG3 LYS 38 2HG LYS 38 -10.369 16.590 5.400 317 HD2 LYS 38 1HD LYS 38 -10.309 17.977 7.186 318 HD3 LYS 38 2HD LYS 38 -8.775 18.735 6.744 319 HE2 LYS 38 1HE LYS 38 -11.418 19.289 5.338 320 HE3 LYS 38 2HE LYS 38 -10.815 20.264 6.680 321 HZ1 LYS 38 3HZ LYS 38 -10.319 21.076 4.372 322 HZ2 LYS 38 1HZ LYS 38 -9.261 19.877 4.175 323 HZ3 LYS 38 2HZ LYS 38 -9.025 21.022 5.354 324 H ASN 39 H ASN 39 -4.986 17.133 3.305 325 HA ASN 39 HA ASN 39 -3.095 17.576 5.361 326 HB2 ASN 39 1HB ASN 39 -3.999 15.190 5.837 327 HB3 ASN 39 2HB ASN 39 -3.010 14.667 4.503 328 HD21 ASN 39 1HD2 ASN 39 -0.665 15.679 4.705 329 HD22 ASN 39 2HD2 ASN 39 0.044 15.560 6.324 330 HA PRO 40 HA PRO 40 -2.290 17.721 0.696 331 HB2 PRO 40 1HB PRO 40 -1.429 20.334 0.463 332 HB3 PRO 40 2HB PRO 40 -3.149 19.836 0.452 333 HG2 PRO 40 1HG PRO 40 -1.518 20.895 2.774 334 HG3 PRO 40 2HG PRO 40 -3.166 21.375 2.256 335 HD2 PRO 40 1HD PRO 40 -2.715 19.552 4.283 336 HD3 PRO 40 2HD PRO 40 -4.118 19.416 3.174 337 H ASN 41 H ASN 41 -0.293 18.504 3.450 338 HA ASN 41 HA ASN 41 2.226 18.734 2.116 339 HB2 ASN 41 1HB ASN 41 1.374 19.216 4.656 340 HB3 ASN 41 2HB ASN 41 2.070 17.617 4.907 341 HD21 ASN 41 1HD2 ASN 41 2.664 20.909 3.806 342 HD22 ASN 41 2HD2 ASN 41 4.370 20.906 4.198 343 H GLU 42 H GLU 42 0.203 16.011 2.446 344 HA GLU 42 HA GLU 42 2.447 14.076 2.228 345 HB2 GLU 42 1HB GLU 42 -0.060 13.939 3.946 346 HB3 GLU 42 2HB GLU 42 0.921 12.519 3.525 347 HG2 GLU 42 1HG GLU 42 2.937 13.434 4.476 348 HG3 GLU 42 2HG GLU 42 2.224 14.999 4.695 349 H GLY 43 H GLY 43 0.433 15.591 0.293 350 HA2 GLY 43 1HA GLY 43 -1.043 13.500 -0.999 351 HA3 GLY 43 2HA GLY 43 -0.675 15.097 -1.650 352 H GLU 44 H GLU 44 2.355 14.425 -1.192 353 HA GLU 44 HA GLU 44 2.783 12.971 -3.726 354 HB2 GLU 44 1HB GLU 44 4.556 14.487 -1.816 355 HB3 GLU 44 2HB GLU 44 5.274 13.301 -2.911 356 HG2 GLU 44 1HG GLU 44 3.466 15.567 -3.848 357 HG3 GLU 44 2HG GLU 44 5.210 15.714 -3.704 358 H LYS 45 H LYS 45 3.342 12.466 -0.215 359 HA LYS 45 HA LYS 45 4.327 9.819 -0.316 360 HB2 LYS 45 1HB LYS 45 3.950 11.390 1.731 361 HB3 LYS 45 2HB LYS 45 2.278 10.831 1.704 362 HG2 LYS 45 1HG LYS 45 3.278 8.430 1.838 363 HG3 LYS 45 2HG LYS 45 4.781 9.240 2.270 364 HD2 LYS 45 1HD LYS 45 2.102 9.324 3.695 365 HD3 LYS 45 2HD LYS 45 3.578 8.581 4.305 366 HE2 LYS 45 1HE LYS 45 3.301 11.574 3.763 367 HE3 LYS 45 2HE LYS 45 2.894 10.859 5.315 368 HZ1 LYS 45 3HZ LYS 45 5.584 10.616 4.112 369 HZ2 LYS 45 1HZ LYS 45 5.120 10.143 5.593 370 HZ3 LYS 45 2HZ LYS 45 5.120 11.730 5.279 371 H PHE 46 H PHE 46 0.976 10.999 -0.566 372 HA PHE 46 HA PHE 46 -0.450 8.641 -0.488 373 HB2 PHE 46 1HB PHE 46 -1.079 11.174 -1.079 374 HB3 PHE 46 2HB PHE 46 -1.161 10.534 -2.693 375 HD1 PHE 46 1HD PHE 46 -2.334 7.655 -1.792 376 HD2 PHE 46 2HD PHE 46 -3.389 11.748 -0.953 377 HE1 PHE 46 1HE PHE 46 -4.647 6.970 -1.484 378 HE2 PHE 46 2HE PHE 46 -5.792 11.026 -0.775 379 HZ PHE 46 HZ PHE 46 -6.410 8.674 -1.026 380 H LYS 47 H LYS 47 1.440 9.909 -3.236 381 HA LYS 47 HA LYS 47 0.647 8.096 -5.175 382 HB2 LYS 47 1HB LYS 47 2.355 10.168 -5.174 383 HB3 LYS 47 2HB LYS 47 3.569 8.889 -5.022 384 HG2 LYS 47 1HG LYS 47 2.563 7.809 -7.077 385 HG3 LYS 47 2HG LYS 47 1.424 9.177 -7.148 386 HD2 LYS 47 1HD LYS 47 3.387 10.740 -7.367 387 HD3 LYS 47 2HD LYS 47 4.458 9.319 -7.435 388 HE2 LYS 47 1HE LYS 47 3.175 8.480 -9.408 389 HE3 LYS 47 2HE LYS 47 2.150 9.925 -9.354 390 HZ1 LYS 47 3HZ LYS 47 3.886 10.147 -10.962 391 HZ2 LYS 47 1HZ LYS 47 5.054 9.888 -9.831 392 HZ3 LYS 47 2HZ LYS 47 4.109 11.254 -9.777 393 H GLN 48 H GLN 48 3.095 7.531 -2.591 394 HA GLN 48 HA GLN 48 3.809 4.929 -3.654 395 HB2 GLN 48 1HB GLN 48 4.384 6.472 -1.111 396 HB3 GLN 48 2HB GLN 48 4.552 4.721 -1.092 397 HG2 GLN 48 1HG GLN 48 5.873 5.362 -3.461 398 HG3 GLN 48 2HG GLN 48 6.204 6.760 -2.444 399 HE21 GLN 48 1HE2 GLN 48 6.133 3.102 -2.089 400 HE22 GLN 48 2HE2 GLN 48 7.661 3.071 -1.212 401 H ILE 49 H ILE 49 1.118 6.082 -1.742 402 HA ILE 49 HA ILE 49 0.590 3.514 -0.464 403 HB ILE 49 HB ILE 49 -1.426 5.750 -0.871 404 HG12 ILE 49 1HG1 ILE 49 0.571 5.523 1.432 405 HG13 ILE 49 2HG1 ILE 49 0.590 6.755 0.180 406 HG21 ILE 49 1HG2 ILE 49 -1.133 3.718 1.374 407 HG22 ILE 49 2HG2 ILE 49 -2.533 4.766 1.041 408 HG23 ILE 49 3HG2 ILE 49 -2.123 3.457 -0.063 409 HD11 ILE 49 3HD1 ILE 49 -1.705 7.506 0.911 410 HD12 ILE 49 1HD1 ILE 49 -1.561 6.406 2.289 411 HD13 ILE 49 2HD1 ILE 49 -0.405 7.739 2.099 412 H SER 50 H SER 50 -0.721 5.363 -3.317 413 HA SER 50 HA SER 50 -2.468 3.316 -4.223 414 HB2 SER 50 1HB SER 50 -1.394 4.692 -6.464 415 HB3 SER 50 2HB SER 50 -2.960 4.916 -5.686 416 HG SER 50 HG SER 50 -0.922 6.547 -5.860 417 H GLN 51 H GLN 51 0.892 4.148 -5.295 418 HA GLN 51 HA GLN 51 1.352 2.076 -7.023 419 HB2 GLN 51 1HB GLN 51 2.778 4.147 -6.351 420 HB3 GLN 51 2HB GLN 51 3.359 3.177 -5.006 421 HG2 GLN 51 1HG GLN 51 5.041 2.892 -6.513 422 HG3 GLN 51 2HG GLN 51 4.053 1.479 -6.907 423 HE21 GLN 51 1HE2 GLN 51 3.201 1.379 -9.099 424 HE22 GLN 51 2HE2 GLN 51 3.394 2.719 -10.200 425 H ALA 52 H ALA 52 1.487 1.879 -3.471 426 HA ALA 52 HA ALA 52 2.591 -0.807 -3.450 427 HB1 ALA 52 1HB ALA 52 1.116 0.904 -1.359 428 HB2 ALA 52 2HB ALA 52 1.717 -0.711 -1.013 429 HB3 ALA 52 3HB ALA 52 2.858 0.580 -1.432 430 H TYR 53 H TYR 53 -0.774 0.435 -2.789 431 HA TYR 53 HA TYR 53 -1.832 -2.205 -2.610 432 HB2 TYR 53 1HB TYR 53 -2.929 -0.244 -1.671 433 HB3 TYR 53 2HB TYR 53 -3.106 0.458 -3.268 434 HD1 TYR 53 1HD TYR 53 -3.919 -3.067 -1.988 435 HD2 TYR 53 2HD TYR 53 -5.312 0.581 -3.839 436 HE1 TYR 53 1HE TYR 53 -6.171 -4.025 -2.164 437 HE2 TYR 53 2HE TYR 53 -7.580 -0.380 -4.010 438 HH TYR 53 HH TYR 53 -8.245 -3.620 -3.750 439 H GLU 54 H GLU 54 -0.971 -0.311 -5.386 440 HA GLU 54 HA GLU 54 -2.703 -1.577 -7.320 441 HB2 GLU 54 1HB GLU 54 -1.469 0.721 -7.342 442 HB3 GLU 54 2HB GLU 54 -0.050 -0.180 -7.823 443 HG2 GLU 54 1HG GLU 54 -0.804 0.435 -9.836 444 HG3 GLU 54 2HG GLU 54 -1.684 -1.075 -9.763 445 H VAL 55 H VAL 55 0.166 -2.594 -5.748 446 HA VAL 55 HA VAL 55 0.806 -4.629 -7.840 447 HB VAL 55 HB VAL 55 2.060 -4.577 -5.080 448 HG11 VAL 55 1HG1 VAL 55 3.214 -5.323 -7.796 449 HG12 VAL 55 2HG1 VAL 55 3.974 -5.526 -6.208 450 HG13 VAL 55 3HG1 VAL 55 2.549 -6.488 -6.620 451 HG21 VAL 55 3HG2 VAL 55 3.834 -3.127 -6.345 452 HG22 VAL 55 1HG2 VAL 55 2.410 -2.604 -7.284 453 HG23 VAL 55 2HG2 VAL 55 2.441 -2.470 -5.479 454 H LEU 56 H LEU 56 -0.358 -4.431 -4.443 455 HA LEU 56 HA LEU 56 -0.777 -7.265 -4.336 456 HB2 LEU 56 1HB LEU 56 -1.837 -5.082 -2.505 457 HB3 LEU 56 2HB LEU 56 -1.773 -6.805 -2.178 458 HG LEU 56 HG LEU 56 0.004 -5.965 -1.025 459 HD11 LEU 56 1HD1 LEU 56 0.753 -7.920 -2.333 460 HD12 LEU 56 2HD1 LEU 56 2.063 -6.826 -1.890 461 HD13 LEU 56 3HD1 LEU 56 1.437 -6.812 -3.546 462 HD21 LEU 56 3HD2 LEU 56 1.338 -4.323 -3.007 463 HD22 LEU 56 1HD2 LEU 56 1.461 -4.414 -1.236 464 HD23 LEU 56 2HD2 LEU 56 0.023 -3.710 -1.949 465 H SER 57 H SER 57 -2.753 -4.719 -5.647 466 HA SER 57 HA SER 57 -5.289 -6.048 -5.346 467 HB2 SER 57 1HB SER 57 -4.242 -3.639 -6.841 468 HB3 SER 57 2HB SER 57 -5.859 -4.283 -7.221 469 HG SER 57 HG SER 57 -4.799 -3.152 -4.918 470 H ASP 58 H ASP 58 -2.724 -7.153 -7.302 471 HA ASP 58 HA ASP 58 -4.766 -8.478 -9.001 472 HB2 ASP 58 1HB ASP 58 -3.298 -6.497 -10.142 473 HB3 ASP 58 2HB ASP 58 -2.158 -7.818 -10.318 474 H ALA 59 H ALA 59 -4.314 -10.629 -9.381 475 HA ALA 59 HA ALA 59 -2.290 -11.877 -7.716 476 HB1 ALA 59 1HB ALA 59 -2.926 -13.956 -8.897 477 HB2 ALA 59 2HB ALA 59 -4.357 -13.087 -8.310 478 HB3 ALA 59 3HB ALA 59 -3.925 -13.023 -10.037 479 H LYS 60 H LYS 60 -2.487 -10.931 -11.246 480 HA LYS 60 HA LYS 60 -0.062 -12.165 -12.006 481 HB2 LYS 60 1HB LYS 60 -1.921 -10.051 -13.025 482 HB3 LYS 60 2HB LYS 60 -0.295 -9.923 -13.609 483 HG2 LYS 60 1HG LYS 60 -1.683 -12.616 -13.705 484 HG3 LYS 60 2HG LYS 60 -2.061 -11.385 -14.910 485 HD2 LYS 60 1HD LYS 60 0.328 -11.232 -15.562 486 HD3 LYS 60 2HD LYS 60 0.747 -12.395 -14.310 487 HE2 LYS 60 1HE LYS 60 0.683 -13.595 -16.372 488 HE3 LYS 60 2HE LYS 60 -0.725 -14.089 -15.422 489 HZ1 LYS 60 3HZ LYS 60 -2.050 -12.527 -16.797 490 HZ2 LYS 60 1HZ LYS 60 -1.348 -13.698 -17.685 491 HZ3 LYS 60 2HZ LYS 60 -0.736 -12.190 -17.717 492 H LYS 61 H LYS 61 -0.592 -9.183 -10.188 493 HA LYS 61 HA LYS 61 2.288 -8.480 -10.507 494 HB2 LYS 61 1HB LYS 61 0.052 -7.027 -9.067 495 HB3 LYS 61 2HB LYS 61 1.746 -6.516 -9.123 496 HG2 LYS 61 1HG LYS 61 1.190 -6.805 -11.808 497 HG3 LYS 61 2HG LYS 61 -0.401 -6.388 -11.165 498 HD2 LYS 61 1HD LYS 61 0.485 -4.326 -11.809 499 HD3 LYS 61 2HD LYS 61 0.619 -4.390 -10.061 500 HE2 LYS 61 1HE LYS 61 2.682 -3.486 -10.732 501 HE3 LYS 61 2HE LYS 61 3.043 -5.178 -10.390 502 HZ1 LYS 61 3HZ LYS 61 2.883 -3.832 -13.006 503 HZ2 LYS 61 1HZ LYS 61 2.627 -5.430 -12.937 504 HZ3 LYS 61 2HZ LYS 61 4.063 -4.754 -12.387 505 H ARG 62 H ARG 62 -0.031 -9.336 -7.853 506 HA ARG 62 HA ARG 62 1.904 -9.488 -5.847 507 HB2 ARG 62 1HB ARG 62 -0.504 -9.492 -5.387 508 HB3 ARG 62 2HB ARG 62 -0.654 -11.123 -6.040 509 HG2 ARG 62 1HG ARG 62 0.475 -12.121 -4.316 510 HG3 ARG 62 2HG ARG 62 1.388 -10.680 -3.858 511 HD2 ARG 62 1HD ARG 62 -0.396 -9.798 -2.600 512 HD3 ARG 62 2HD ARG 62 -1.573 -10.889 -3.314 513 HE ARG 62 HE ARG 62 0.590 -11.637 -1.379 514 HH11 ARG 62 1HH1 ARG 62 -2.484 -12.556 -2.910 515 HH12 ARG 62 2HH1 ARG 62 -2.122 -14.233 -2.788 516 HH21 ARG 62 1HH2 ARG 62 0.708 -13.776 -0.692 517 HH22 ARG 62 2HH2 ARG 62 -0.528 -14.929 -1.069 518 H GLU 63 H GLU 63 1.166 -12.017 -8.276 519 HA GLU 63 HA GLU 63 2.651 -14.150 -7.165 520 HB2 GLU 63 1HB GLU 63 2.049 -13.260 -10.012 521 HB3 GLU 63 2HB GLU 63 3.029 -14.683 -9.708 522 HG2 GLU 63 1HG GLU 63 0.317 -14.461 -8.376 523 HG3 GLU 63 2HG GLU 63 0.431 -14.910 -10.073 524 H LEU 64 H LEU 64 3.770 -11.575 -9.443 525 HA LEU 64 HA LEU 64 6.432 -12.660 -9.438 526 HB2 LEU 64 1HB LEU 64 5.150 -10.153 -10.543 527 HB3 LEU 64 2HB LEU 64 6.910 -10.242 -10.414 528 HG LEU 64 HG LEU 64 6.951 -12.339 -11.709 529 HD11 LEU 64 1HD1 LEU 64 3.970 -11.868 -12.114 530 HD12 LEU 64 2HD1 LEU 64 4.743 -13.268 -11.322 531 HD13 LEU 64 3HD1 LEU 64 4.979 -13.006 -13.047 532 HD21 LEU 64 3HD2 LEU 64 7.398 -10.322 -12.775 533 HD22 LEU 64 1HD2 LEU 64 5.665 -9.914 -12.994 534 HD23 LEU 64 2HD2 LEU 64 6.419 -11.265 -13.870 535 H TYR 65 H TYR 65 4.867 -10.090 -7.666 536 HA TYR 65 HA TYR 65 6.964 -8.949 -6.144 537 HB2 TYR 65 1HB TYR 65 4.802 -7.982 -6.247 538 HB3 TYR 65 2HB TYR 65 4.028 -9.465 -5.743 539 HD1 TYR 65 1HD TYR 65 6.192 -6.705 -4.514 540 HD2 TYR 65 2HD TYR 65 3.640 -10.005 -3.466 541 HE1 TYR 65 1HE TYR 65 6.087 -5.870 -2.181 542 HE2 TYR 65 2HE TYR 65 3.525 -9.210 -1.139 543 HH TYR 65 HH TYR 65 4.096 -7.484 0.332 544 H ASP 66 H ASP 66 5.382 -12.144 -5.819 545 HA ASP 66 HA ASP 66 6.084 -12.589 -3.118 546 HB2 ASP 66 1HB ASP 66 4.504 -13.969 -4.508 547 HB3 ASP 66 2HB ASP 66 5.892 -14.674 -5.331 548 H LYS 67 H LYS 67 7.815 -13.175 -6.129 549 HA LYS 67 HA LYS 67 10.393 -13.631 -4.741 550 HB2 LYS 67 1HB LYS 67 10.723 -15.557 -6.366 551 HB3 LYS 67 2HB LYS 67 9.643 -15.835 -5.006 552 HG2 LYS 67 1HG LYS 67 7.801 -16.119 -6.264 553 HG3 LYS 67 2HG LYS 67 8.216 -14.886 -7.447 554 HD2 LYS 67 1HD LYS 67 9.767 -17.481 -7.409 555 HD3 LYS 67 2HD LYS 67 8.149 -17.397 -8.130 556 HE2 LYS 67 1HE LYS 67 8.786 -15.631 -9.637 557 HE3 LYS 67 2HE LYS 67 10.381 -15.467 -8.892 558 HZ1 LYS 67 3HZ LYS 67 10.187 -16.750 -11.036 559 HZ2 LYS 67 1HZ LYS 67 9.554 -17.997 -10.129 560 HZ3 LYS 67 2HZ LYS 67 11.079 -17.438 -9.833 561 H GLY 68 H GLY 68 10.360 -11.267 -5.604 562 HA2 GLY 68 1HA GLY 68 12.169 -10.810 -7.556 563 HA3 GLY 68 2HA GLY 68 10.724 -11.056 -8.540 564 H GLY 69 H GLY 69 8.771 -9.716 -7.941 565 HA2 GLY 69 1HA GLY 69 7.804 -7.641 -7.546 566 HA3 GLY 69 2HA GLY 69 9.193 -7.247 -6.529 567 H GLU 70 H GLU 70 10.017 -8.070 -9.821 568 HA GLU 70 HA GLU 70 10.442 -5.221 -10.411 569 HB2 GLU 70 1HB GLU 70 12.716 -5.668 -11.006 570 HB3 GLU 70 2HB GLU 70 12.450 -6.116 -9.324 571 HG2 GLU 70 1HG GLU 70 12.350 -8.501 -9.940 572 HG3 GLU 70 2HG GLU 70 12.496 -8.096 -11.652 573 H GLN 71 H GLN 71 8.990 -7.771 -11.338 574 HA GLN 71 HA GLN 71 7.853 -8.396 -13.222 575 HB2 GLN 71 1HB GLN 71 9.396 -6.370 -14.858 576 HB3 GLN 71 2HB GLN 71 7.971 -7.290 -15.320 577 HG2 GLN 71 1HG GLN 71 6.654 -6.208 -13.527 578 HG3 GLN 71 2HG GLN 71 8.080 -5.324 -12.990 579 HE21 GLN 71 1HE2 GLN 71 6.507 -5.932 -16.219 580 HE22 GLN 71 2HE2 GLN 71 6.599 -4.254 -16.732 Start of MODEL 12 1 H1 GLY 1 H GLY 1 16.231 5.754 15.970 2 HA2 GLY 1 1HA GLY 1 16.255 3.617 14.848 3 HA3 GLY 1 2HA GLY 1 14.501 3.795 14.573 4 H MET 2 H MET 2 15.719 3.303 12.269 5 HA MET 2 HA MET 2 15.047 5.729 10.862 6 HB2 MET 2 1HB MET 2 17.060 5.928 9.527 7 HB3 MET 2 2HB MET 2 17.481 6.070 11.219 8 HG2 MET 2 1HG MET 2 17.871 3.432 11.001 9 HG3 MET 2 2HG MET 2 18.015 3.819 9.287 10 HE1 MET 2 3HE MET 2 19.216 5.820 12.604 11 HE2 MET 2 1HE MET 2 19.295 4.063 12.850 12 HE3 MET 2 2HE MET 2 20.788 5.021 12.772 13 H VAL 3 H VAL 3 14.217 2.799 11.281 14 HA VAL 3 HA VAL 3 14.651 1.541 8.694 15 HB VAL 3 HB VAL 3 14.612 0.058 10.464 16 HG11 VAL 3 1HG1 VAL 3 12.086 1.342 11.536 17 HG12 VAL 3 2HG1 VAL 3 12.728 -0.204 12.102 18 HG13 VAL 3 3HG1 VAL 3 13.681 1.263 12.317 19 HG21 VAL 3 3HG2 VAL 3 11.784 -0.226 9.465 20 HG22 VAL 3 1HG2 VAL 3 13.217 -0.647 8.482 21 HG23 VAL 3 2HG2 VAL 3 12.886 -1.499 10.001 22 H LYS 4 H LYS 4 13.875 2.832 7.124 23 HA LYS 4 HA LYS 4 10.952 2.757 6.809 24 HB2 LYS 4 1HB LYS 4 11.109 4.895 5.505 25 HB3 LYS 4 2HB LYS 4 11.182 5.035 7.241 26 HG2 LYS 4 1HG LYS 4 13.858 4.902 5.957 27 HG3 LYS 4 2HG LYS 4 12.874 6.282 5.458 28 HD2 LYS 4 1HD LYS 4 12.631 7.084 7.723 29 HD3 LYS 4 2HD LYS 4 13.291 5.582 8.378 30 HE2 LYS 4 1HE LYS 4 14.983 7.271 8.562 31 HE3 LYS 4 2HE LYS 4 15.471 6.028 7.413 32 HZ1 LYS 4 3HZ LYS 4 14.721 7.605 5.630 33 HZ2 LYS 4 1HZ LYS 4 16.034 8.050 6.493 34 HZ3 LYS 4 2HZ LYS 4 14.611 8.780 6.803 35 H GLU 5 H GLU 5 12.005 0.708 6.124 36 HA GLU 5 HA GLU 5 12.568 0.633 3.272 37 HB2 GLU 5 1HB GLU 5 14.659 -0.674 3.556 38 HB3 GLU 5 2HB GLU 5 14.810 1.000 4.036 39 HG2 GLU 5 1HG GLU 5 14.548 0.213 6.477 40 HG3 GLU 5 2HG GLU 5 14.722 -1.437 5.880 41 H THR 6 H THR 6 10.542 -0.507 3.173 42 HA THR 6 HA THR 6 10.887 -3.305 3.761 43 HB THR 6 HB THR 6 8.227 -2.958 4.537 44 HG1 THR 6 1HG THR 6 8.480 -0.917 5.113 45 HG21 THR 6 3HG2 THR 6 8.923 -3.868 6.702 46 HG22 THR 6 1HG2 THR 6 10.624 -3.621 6.250 47 HG23 THR 6 2HG2 THR 6 9.586 -4.750 5.320 48 H THR 7 H THR 7 8.977 -4.537 2.849 49 HA THR 7 HA THR 7 8.460 -3.767 0.178 50 HB THR 7 HB THR 7 8.583 -6.062 1.052 51 HG1 THR 7 1HG THR 7 7.762 -6.095 -0.833 52 HG21 THR 7 3HG2 THR 7 5.741 -5.662 2.042 53 HG22 THR 7 1HG2 THR 7 7.157 -5.727 3.121 54 HG23 THR 7 2HG2 THR 7 6.716 -7.135 2.129 55 H TYR 8 H TYR 8 6.170 -3.988 -0.527 56 HA TYR 8 HA TYR 8 4.800 -1.547 -0.217 57 HB2 TYR 8 1HB TYR 8 3.891 -4.264 -1.235 58 HB3 TYR 8 2HB TYR 8 2.978 -2.782 -1.512 59 HD1 TYR 8 2HD TYR 8 5.219 -0.843 -2.256 60 HD2 TYR 8 1HD TYR 8 4.526 -4.966 -3.314 61 HE1 TYR 8 2HE TYR 8 6.472 -0.506 -4.347 62 HE2 TYR 8 1HE TYR 8 5.838 -4.669 -5.364 63 HH TYR 8 HH TYR 8 6.621 -1.709 -6.718 64 H TYR 9 H TYR 9 4.272 -4.590 1.542 65 HA TYR 9 HA TYR 9 1.726 -3.951 2.592 66 HB2 TYR 9 1HB TYR 9 3.961 -5.682 3.713 67 HB3 TYR 9 2HB TYR 9 2.342 -5.617 4.374 68 HD1 TYR 9 2HD TYR 9 0.550 -5.644 2.031 69 HD2 TYR 9 1HD TYR 9 4.201 -7.838 2.739 70 HE1 TYR 9 2HE TYR 9 -0.246 -7.486 0.583 71 HE2 TYR 9 1HE TYR 9 3.385 -9.659 1.310 72 HH TYR 9 HH TYR 9 1.627 -10.528 0.145 73 H ASP 10 H ASP 10 4.994 -3.314 4.083 74 HA ASP 10 HA ASP 10 3.652 -2.025 6.338 75 HB2 ASP 10 1HB ASP 10 6.476 -2.580 5.583 76 HB3 ASP 10 2HB ASP 10 6.193 -1.232 6.701 77 H VAL 11 H VAL 11 4.866 -0.883 3.240 78 HA VAL 11 HA VAL 11 4.722 1.940 3.695 79 HB VAL 11 HB VAL 11 3.883 0.308 1.270 80 HG11 VAL 11 1HG1 VAL 11 2.711 2.350 1.043 81 HG12 VAL 11 2HG1 VAL 11 4.133 3.305 1.562 82 HG13 VAL 11 3HG1 VAL 11 4.132 2.455 0.007 83 HG21 VAL 11 3HG2 VAL 11 6.430 1.836 1.844 84 HG22 VAL 11 1HG2 VAL 11 6.244 0.073 1.653 85 HG23 VAL 11 2HG2 VAL 11 5.994 1.125 0.276 86 H LEU 12 H LEU 12 2.175 -0.463 3.036 87 HA LEU 12 HA LEU 12 0.052 1.491 3.281 88 HB2 LEU 12 1HB LEU 12 0.087 -1.541 3.058 89 HB3 LEU 12 2HB LEU 12 -1.384 -0.584 3.031 90 HG LEU 12 HG LEU 12 0.864 -0.086 1.025 91 HD11 LEU 12 1HD1 LEU 12 -0.316 -1.541 -0.546 92 HD12 LEU 12 2HD1 LEU 12 -1.516 -1.944 0.698 93 HD13 LEU 12 3HD1 LEU 12 0.177 -2.455 0.877 94 HD21 LEU 12 3HD2 LEU 12 -1.010 0.827 -0.321 95 HD22 LEU 12 1HD2 LEU 12 -0.705 1.711 1.173 96 HD23 LEU 12 2HD2 LEU 12 -2.097 0.616 1.072 97 H GLY 13 H GLY 13 1.974 0.308 5.653 98 HA2 GLY 13 1HA GLY 13 1.748 0.025 7.900 99 HA3 GLY 13 2HA GLY 13 0.220 0.911 7.801 100 H VAL 14 H VAL 14 1.004 -2.172 6.086 101 HA VAL 14 HA VAL 14 -0.780 -3.593 7.955 102 HB VAL 14 HB VAL 14 -1.686 -4.966 6.317 103 HG11 VAL 14 1HG1 VAL 14 -1.916 -2.196 5.124 104 HG12 VAL 14 2HG1 VAL 14 -3.103 -3.513 5.079 105 HG13 VAL 14 3HG1 VAL 14 -2.730 -2.701 6.611 106 HG21 VAL 14 3HG2 VAL 14 -0.104 -3.591 4.124 107 HG22 VAL 14 1HG2 VAL 14 0.136 -5.254 4.693 108 HG23 VAL 14 2HG2 VAL 14 -1.367 -4.809 3.887 109 H LYS 15 H LYS 15 0.070 -5.374 8.795 110 HA LYS 15 HA LYS 15 2.820 -5.966 8.597 111 HB2 LYS 15 1HB LYS 15 1.948 -8.299 9.513 112 HB3 LYS 15 2HB LYS 15 1.976 -6.847 10.494 113 HG2 LYS 15 1HG LYS 15 -0.046 -8.015 10.901 114 HG3 LYS 15 2HG LYS 15 -0.450 -6.500 10.120 115 HD2 LYS 15 1HD LYS 15 -0.681 -7.804 7.955 116 HD3 LYS 15 2HD LYS 15 -0.390 -9.288 8.899 117 HE2 LYS 15 1HE LYS 15 -2.391 -8.130 10.360 118 HE3 LYS 15 2HE LYS 15 -2.777 -7.456 8.778 119 HZ1 LYS 15 3HZ LYS 15 -2.604 -9.950 8.062 120 HZ2 LYS 15 1HZ LYS 15 -3.939 -9.412 8.793 121 HZ3 LYS 15 2HZ LYS 15 -2.776 -10.248 9.667 122 HA PRO 16 HA PRO 16 3.273 -8.124 4.852 123 HB2 PRO 16 1HB PRO 16 5.051 -10.179 5.366 124 HB3 PRO 16 2HB PRO 16 5.513 -8.444 5.267 125 HG2 PRO 16 1HG PRO 16 4.881 -10.050 7.759 126 HG3 PRO 16 2HG PRO 16 6.282 -8.966 7.451 127 HD2 PRO 16 1HD PRO 16 4.135 -8.067 8.814 128 HD3 PRO 16 2HD PRO 16 4.916 -7.030 7.578 129 H ASN 17 H ASN 17 1.932 -9.813 7.549 130 HA ASN 17 HA ASN 17 0.890 -12.054 5.930 131 HB2 ASN 17 1HB ASN 17 0.983 -11.400 8.886 132 HB3 ASN 17 2HB ASN 17 -0.142 -12.609 8.277 133 HD21 ASN 17 1HD2 ASN 17 0.642 -14.535 7.203 134 HD22 ASN 17 2HD2 ASN 17 2.278 -15.068 7.573 135 H ALA 18 H ALA 18 0.028 -9.166 5.423 136 HA ALA 18 HA ALA 18 -2.770 -9.064 6.177 137 HB1 ALA 18 1HB ALA 18 -1.457 -7.059 5.606 138 HB2 ALA 18 2HB ALA 18 -1.245 -7.656 3.944 139 HB3 ALA 18 3HB ALA 18 -2.870 -7.236 4.542 140 H THR 19 H THR 19 -4.537 -9.894 5.162 141 HA THR 19 HA THR 19 -4.216 -11.618 2.830 142 HB THR 19 HB THR 19 -6.835 -11.593 3.132 143 HG1 THR 19 1HG THR 19 -6.527 -11.251 5.759 144 HG21 THR 19 3HG2 THR 19 -6.611 -13.358 4.864 145 HG22 THR 19 1HG2 THR 19 -4.955 -12.787 5.209 146 HG23 THR 19 2HG2 THR 19 -5.342 -13.528 3.636 147 H GLN 20 H GLN 20 -5.417 -11.344 0.899 148 HA GLN 20 HA GLN 20 -5.303 -9.014 -0.553 149 HB2 GLN 20 1HB GLN 20 -7.216 -11.370 -0.556 150 HB3 GLN 20 2HB GLN 20 -7.331 -10.132 -1.784 151 HG2 GLN 20 1HG GLN 20 -4.705 -11.582 -1.332 152 HG3 GLN 20 2HG GLN 20 -6.003 -12.279 -2.315 153 HE21 GLN 20 1HE2 GLN 20 -3.672 -9.598 -2.079 154 HE22 GLN 20 2HE2 GLN 20 -3.979 -8.958 -3.702 155 H GLU 21 H GLU 21 -7.960 -9.929 1.686 156 HA GLU 21 HA GLU 21 -9.629 -7.722 0.822 157 HB2 GLU 21 1HB GLU 21 -9.842 -9.535 3.263 158 HB3 GLU 21 2HB GLU 21 -11.095 -8.478 2.576 159 HG2 GLU 21 1HG GLU 21 -10.844 -9.748 0.397 160 HG3 GLU 21 2HG GLU 21 -9.885 -10.945 1.290 161 H GLU 22 H GLU 22 -7.390 -8.364 3.500 162 HA GLU 22 HA GLU 22 -7.931 -6.034 5.060 163 HB2 GLU 22 1HB GLU 22 -5.452 -7.791 4.757 164 HB3 GLU 22 2HB GLU 22 -5.497 -6.382 5.807 165 HG2 GLU 22 1HG GLU 22 -7.461 -7.347 7.001 166 HG3 GLU 22 2HG GLU 22 -7.354 -8.785 5.986 167 H LEU 23 H LEU 23 -5.846 -6.612 2.174 168 HA LEU 23 HA LEU 23 -4.509 -4.176 2.113 169 HB2 LEU 23 1HB LEU 23 -5.397 -6.153 0.029 170 HB3 LEU 23 2HB LEU 23 -4.945 -4.584 -0.554 171 HG LEU 23 HG LEU 23 -3.141 -6.172 -0.668 172 HD11 LEU 23 1HD1 LEU 23 -2.481 -4.006 1.361 173 HD12 LEU 23 2HD1 LEU 23 -2.618 -3.769 -0.402 174 HD13 LEU 23 3HD1 LEU 23 -1.356 -4.809 0.260 175 HD21 LEU 23 3HD2 LEU 23 -3.377 -7.678 1.055 176 HD22 LEU 23 1HD2 LEU 23 -3.446 -6.411 2.320 177 HD23 LEU 23 2HD2 LEU 23 -1.938 -6.769 1.520 178 H LYS 24 H LYS 24 -7.727 -4.806 0.530 179 HA LYS 24 HA LYS 24 -7.862 -2.026 -0.238 180 HB2 LYS 24 1HB LYS 24 -10.217 -2.417 -0.750 181 HB3 LYS 24 2HB LYS 24 -9.040 -3.426 -1.572 182 HG2 LYS 24 1HG LYS 24 -10.635 -4.943 -1.289 183 HG3 LYS 24 2HG LYS 24 -9.778 -5.254 0.207 184 HD2 LYS 24 1HD LYS 24 -11.450 -4.067 1.493 185 HD3 LYS 24 2HD LYS 24 -12.124 -3.290 0.060 186 HE2 LYS 24 1HE LYS 24 -12.317 -6.257 0.722 187 HE3 LYS 24 2HE LYS 24 -13.592 -5.042 0.928 188 HZ1 LYS 24 3HZ LYS 24 -13.320 -4.680 -1.573 189 HZ2 LYS 24 1HZ LYS 24 -14.069 -6.038 -1.084 190 HZ3 LYS 24 2HZ LYS 24 -12.511 -6.122 -1.568 191 H LYS 25 H LYS 25 -9.389 -3.767 2.401 192 HA LYS 25 HA LYS 25 -10.720 -1.481 3.544 193 HB2 LYS 25 1HB LYS 25 -9.729 -4.070 4.819 194 HB3 LYS 25 2HB LYS 25 -10.397 -2.761 5.777 195 HG2 LYS 25 1HG LYS 25 -12.379 -2.925 3.935 196 HG3 LYS 25 2HG LYS 25 -11.815 -4.610 3.892 197 HD2 LYS 25 1HD LYS 25 -12.191 -4.802 6.338 198 HD3 LYS 25 2HD LYS 25 -12.513 -3.074 6.439 199 HE2 LYS 25 1HE LYS 25 -14.644 -3.808 6.483 200 HE3 LYS 25 2HE LYS 25 -14.450 -3.506 4.757 201 HZ1 LYS 25 3HZ LYS 25 -15.547 -5.596 5.292 202 HZ2 LYS 25 1HZ LYS 25 -14.230 -6.151 6.079 203 HZ3 LYS 25 2HZ LYS 25 -14.160 -5.905 4.449 204 H ALA 26 H ALA 26 -7.285 -2.476 3.960 205 HA ALA 26 HA ALA 26 -6.767 -0.439 5.917 206 HB1 ALA 26 1HB ALA 26 -5.396 -2.423 5.856 207 HB2 ALA 26 2HB ALA 26 -4.918 -2.083 4.178 208 HB3 ALA 26 3HB ALA 26 -4.395 -1.002 5.478 209 H TYR 27 H TYR 27 -6.348 -0.688 2.422 210 HA TYR 27 HA TYR 27 -4.913 1.642 1.895 211 HB2 TYR 27 1HB TYR 27 -5.449 -0.093 0.226 212 HB3 TYR 27 2HB TYR 27 -7.150 0.345 0.258 213 HD1 TYR 27 2HD TYR 27 -3.807 1.882 -0.287 214 HD2 TYR 27 1HD TYR 27 -7.935 1.810 -1.374 215 HE1 TYR 27 2HE TYR 27 -3.289 3.377 -2.218 216 HE2 TYR 27 1HE TYR 27 -7.423 3.183 -3.440 217 HH TYR 27 HH TYR 27 -4.704 3.449 -4.860 218 H ARG 28 H ARG 28 -8.453 1.240 1.920 219 HA ARG 28 HA ARG 28 -9.314 3.848 1.493 220 HB2 ARG 28 1HB ARG 28 -10.376 1.550 3.165 221 HB3 ARG 28 2HB ARG 28 -11.293 3.051 2.974 222 HG2 ARG 28 1HG ARG 28 -11.311 2.761 0.538 223 HG3 ARG 28 2HG ARG 28 -10.396 1.246 0.690 224 HD2 ARG 28 1HD ARG 28 -12.192 0.213 1.967 225 HD3 ARG 28 2HD ARG 28 -13.084 1.753 2.023 226 HE ARG 28 HE ARG 28 -12.695 1.333 -0.643 227 HH11 ARG 28 1HH1 ARG 28 -14.559 -0.341 1.884 228 HH12 ARG 28 2HH1 ARG 28 -15.739 -0.918 0.741 229 HH21 ARG 28 1HH2 ARG 28 -14.130 0.495 -2.066 230 HH22 ARG 28 2HH2 ARG 28 -15.520 -0.400 -1.557 231 H LYS 29 H LYS 29 -8.151 2.475 4.635 232 HA LYS 29 HA LYS 29 -9.271 4.800 6.002 233 HB2 LYS 29 1HB LYS 29 -8.194 3.829 8.075 234 HB3 LYS 29 2HB LYS 29 -9.386 2.794 7.289 235 HG2 LYS 29 1HG LYS 29 -7.735 1.472 6.260 236 HG3 LYS 29 2HG LYS 29 -6.415 2.561 6.727 237 HD2 LYS 29 1HD LYS 29 -8.063 1.029 8.758 238 HD3 LYS 29 2HD LYS 29 -6.702 0.288 7.902 239 HE2 LYS 29 1HE LYS 29 -6.569 2.761 9.657 240 HE3 LYS 29 2HE LYS 29 -6.036 1.133 10.107 241 HZ1 LYS 29 3HZ LYS 29 -4.159 2.342 9.482 242 HZ2 LYS 29 1HZ LYS 29 -4.827 2.949 8.157 243 HZ3 LYS 29 2HZ LYS 29 -4.383 1.337 8.215 244 H LEU 30 H LEU 30 -6.350 4.232 4.326 245 HA LEU 30 HA LEU 30 -4.931 6.369 5.795 246 HB2 LEU 30 1HB LEU 30 -4.061 4.278 3.826 247 HB3 LEU 30 2HB LEU 30 -3.004 5.578 4.347 248 HG LEU 30 HG LEU 30 -4.324 3.636 6.283 249 HD11 LEU 30 1HD1 LEU 30 -2.094 2.533 6.382 250 HD12 LEU 30 2HD1 LEU 30 -1.576 3.507 4.995 251 HD13 LEU 30 3HD1 LEU 30 -2.911 2.346 4.819 252 HD21 LEU 30 3HD2 LEU 30 -1.753 5.077 6.893 253 HD22 LEU 30 1HD2 LEU 30 -2.994 4.498 7.981 254 HD23 LEU 30 2HD2 LEU 30 -3.261 5.984 7.056 255 H ALA 31 H ALA 31 -6.287 5.480 2.596 256 HA ALA 31 HA ALA 31 -5.438 7.583 1.062 257 HB1 ALA 31 1HB ALA 31 -7.586 7.274 -0.192 258 HB2 ALA 31 2HB ALA 31 -6.804 5.732 0.199 259 HB3 ALA 31 3HB ALA 31 -8.207 6.277 1.139 260 H LEU 32 H LEU 32 -8.476 7.698 3.025 261 HA LEU 32 HA LEU 32 -8.796 10.482 2.624 262 HB2 LEU 32 1HB LEU 32 -9.904 8.573 4.668 263 HB3 LEU 32 2HB LEU 32 -10.481 10.212 4.440 264 HG LEU 32 HG LEU 32 -11.391 9.768 2.344 265 HD11 LEU 32 1HD1 LEU 32 -10.285 6.976 2.257 266 HD12 LEU 32 2HD1 LEU 32 -9.914 8.332 1.152 267 HD13 LEU 32 3HD1 LEU 32 -11.521 7.636 1.179 268 HD21 LEU 32 3HD2 LEU 32 -12.672 9.004 4.354 269 HD22 LEU 32 1HD2 LEU 32 -11.964 7.376 4.156 270 HD23 LEU 32 2HD2 LEU 32 -13.087 8.044 2.935 271 H LYS 33 H LYS 33 -6.659 8.824 4.869 272 HA LYS 33 HA LYS 33 -6.598 11.000 6.847 273 HB2 LYS 33 1HB LYS 33 -5.752 8.876 7.679 274 HB3 LYS 33 2HB LYS 33 -4.674 8.668 6.305 275 HG2 LYS 33 1HG LYS 33 -3.323 10.596 7.007 276 HG3 LYS 33 2HG LYS 33 -4.512 11.024 8.250 277 HD2 LYS 33 1HD LYS 33 -3.872 9.073 9.574 278 HD3 LYS 33 2HD LYS 33 -2.835 8.482 8.258 279 HE2 LYS 33 1HE LYS 33 -1.457 9.584 9.957 280 HE3 LYS 33 2HE LYS 33 -1.397 10.485 8.432 281 HZ1 LYS 33 3HZ LYS 33 -3.046 11.212 10.781 282 HZ2 LYS 33 1HZ LYS 33 -2.953 12.071 9.371 283 HZ3 LYS 33 2HZ LYS 33 -1.645 11.945 10.337 284 H TYR 34 H TYR 34 -4.607 9.858 4.139 285 HA TYR 34 HA TYR 34 -2.876 12.184 4.275 286 HB2 TYR 34 1HB TYR 34 -2.963 9.694 2.539 287 HB3 TYR 34 2HB TYR 34 -1.647 10.858 2.539 288 HD1 TYR 34 1HD TYR 34 -0.901 11.446 5.171 289 HD2 TYR 34 2HD TYR 34 -2.458 7.694 3.813 290 HE1 TYR 34 1HE TYR 34 0.388 10.323 6.908 291 HE2 TYR 34 2HE TYR 34 -1.181 6.531 5.494 292 HH TYR 34 HH TYR 34 0.384 6.723 7.276 293 H HIS 35 H HIS 35 -5.867 12.264 3.165 294 HA HIS 35 HA HIS 35 -5.617 12.669 0.392 295 HB2 HIS 35 1HB HIS 35 -7.706 12.415 2.110 296 HB3 HIS 35 2HB HIS 35 -7.739 14.163 1.941 297 HD1 HIS 35 1HD HIS 35 -9.190 14.922 -0.232 298 HD2 HIS 35 2HD HIS 35 -7.757 10.950 -0.252 299 HE1 HIS 35 1HE HIS 35 -10.040 13.897 -2.347 300 HA PRO 36 HA PRO 36 -3.523 16.524 0.457 301 HB2 PRO 36 1HB PRO 36 -4.132 17.615 -1.993 302 HB3 PRO 36 2HB PRO 36 -3.070 16.181 -1.767 303 HG2 PRO 36 1HG PRO 36 -6.020 16.248 -2.500 304 HG3 PRO 36 2HG PRO 36 -4.705 15.315 -3.268 305 HD2 PRO 36 1HD PRO 36 -6.323 14.196 -1.413 306 HD3 PRO 36 2HD PRO 36 -4.573 13.825 -1.454 307 H ASP 37 H ASP 37 -6.892 16.603 -0.474 308 HA ASP 37 HA ASP 37 -7.699 19.232 -0.224 309 HB2 ASP 37 1HB ASP 37 -9.016 17.234 -0.997 310 HB3 ASP 37 2HB ASP 37 -9.152 16.701 0.665 311 H LYS 38 H LYS 38 -7.150 16.892 2.385 312 HA LYS 38 HA LYS 38 -7.909 18.940 4.432 313 HB2 LYS 38 1HB LYS 38 -8.586 15.993 4.142 314 HB3 LYS 38 2HB LYS 38 -8.557 16.720 5.748 315 HG2 LYS 38 1HG LYS 38 -10.125 17.981 3.492 316 HG3 LYS 38 2HG LYS 38 -10.807 16.711 4.507 317 HD2 LYS 38 1HD LYS 38 -10.784 18.016 6.443 318 HD3 LYS 38 2HD LYS 38 -9.569 19.151 5.805 319 HE2 LYS 38 1HE LYS 38 -11.185 19.961 4.126 320 HE3 LYS 38 2HE LYS 38 -12.399 18.859 4.775 321 HZ1 LYS 38 3HZ LYS 38 -11.170 21.133 6.231 322 HZ2 LYS 38 1HZ LYS 38 -12.219 20.035 6.895 323 HZ3 LYS 38 2HZ LYS 38 -12.716 21.007 5.681 324 H ASN 39 H ASN 39 -5.229 17.538 3.185 325 HA ASN 39 HA ASN 39 -3.751 17.845 5.679 326 HB2 ASN 39 1HB ASN 39 -4.901 15.476 5.468 327 HB3 ASN 39 2HB ASN 39 -3.583 15.109 4.372 328 HD21 ASN 39 1HD2 ASN 39 -3.856 13.694 6.478 329 HD22 ASN 39 2HD2 ASN 39 -2.356 13.920 7.323 330 HA PRO 40 HA PRO 40 -2.387 18.880 1.381 331 HB2 PRO 40 1HB PRO 40 -1.311 21.404 1.803 332 HB3 PRO 40 2HB PRO 40 -3.042 21.045 1.564 333 HG2 PRO 40 1HG PRO 40 -1.559 21.397 4.178 334 HG3 PRO 40 2HG PRO 40 -3.124 22.126 3.678 335 HD2 PRO 40 1HD PRO 40 -3.078 19.899 5.226 336 HD3 PRO 40 2HD PRO 40 -4.261 20.061 3.888 337 H ASN 41 H ASN 41 -0.258 18.611 4.122 338 HA ASN 41 HA ASN 41 2.214 18.693 2.560 339 HB2 ASN 41 1HB ASN 41 1.451 17.965 5.388 340 HB3 ASN 41 2HB ASN 41 2.871 17.179 4.731 341 HD21 ASN 41 1HD2 ASN 41 1.491 20.365 5.440 342 HD22 ASN 41 2HD2 ASN 41 3.071 21.183 5.414 343 H GLU 42 H GLU 42 -0.279 16.264 3.068 344 HA GLU 42 HA GLU 42 1.723 14.105 3.018 345 HB2 GLU 42 1HB GLU 42 -1.156 14.120 3.861 346 HB3 GLU 42 2HB GLU 42 -0.040 12.747 3.849 347 HG2 GLU 42 1HG GLU 42 1.604 14.398 5.139 348 HG3 GLU 42 2HG GLU 42 0.178 15.315 5.421 349 H GLY 43 H GLY 43 0.220 15.674 0.573 350 HA2 GLY 43 1HA GLY 43 -1.133 13.674 -0.886 351 HA3 GLY 43 2HA GLY 43 -0.507 15.187 -1.524 352 H GLU 44 H GLU 44 2.347 14.250 -0.651 353 HA GLU 44 HA GLU 44 2.909 12.650 -3.092 354 HB2 GLU 44 1HB GLU 44 4.641 14.111 -1.101 355 HB3 GLU 44 2HB GLU 44 5.321 12.699 -1.924 356 HG2 GLU 44 1HG GLU 44 4.580 13.766 -4.132 357 HG3 GLU 44 2HG GLU 44 4.298 15.241 -3.198 358 H LYS 45 H LYS 45 2.977 12.169 0.514 359 HA LYS 45 HA LYS 45 3.881 9.513 0.580 360 HB2 LYS 45 1HB LYS 45 1.518 10.649 2.100 361 HB3 LYS 45 2HB LYS 45 2.591 9.385 2.612 362 HG2 LYS 45 1HG LYS 45 4.380 10.888 3.106 363 HG3 LYS 45 2HG LYS 45 3.521 12.236 2.331 364 HD2 LYS 45 1HD LYS 45 2.593 12.716 4.249 365 HD3 LYS 45 2HD LYS 45 1.586 11.262 4.107 366 HE2 LYS 45 1HE LYS 45 2.558 11.525 6.228 367 HE3 LYS 45 2HE LYS 45 3.229 10.063 5.473 368 HZ1 LYS 45 3HZ LYS 45 4.810 11.626 6.672 369 HZ2 LYS 45 1HZ LYS 45 4.595 12.700 5.474 370 HZ3 LYS 45 2HZ LYS 45 5.265 11.202 5.147 371 H PHE 46 H PHE 46 0.760 10.985 -0.252 372 HA PHE 46 HA PHE 46 -0.869 8.790 -0.249 373 HB2 PHE 46 1HB PHE 46 -1.192 11.350 -0.980 374 HB3 PHE 46 2HB PHE 46 -1.085 10.691 -2.587 375 HD1 PHE 46 1HD PHE 46 -2.641 7.939 -1.657 376 HD2 PHE 46 2HD PHE 46 -3.368 12.178 -1.475 377 HE1 PHE 46 1HE PHE 46 -5.033 7.513 -1.702 378 HE2 PHE 46 2HE PHE 46 -5.812 11.743 -1.678 379 HZ PHE 46 HZ PHE 46 -6.655 9.403 -1.735 380 H LYS 47 H LYS 47 1.446 9.851 -2.790 381 HA LYS 47 HA LYS 47 0.666 7.898 -4.724 382 HB2 LYS 47 1HB LYS 47 3.295 9.422 -4.405 383 HB3 LYS 47 2HB LYS 47 2.944 8.327 -5.741 384 HG2 LYS 47 1HG LYS 47 0.984 9.708 -6.373 385 HG3 LYS 47 2HG LYS 47 1.371 10.863 -5.091 386 HD2 LYS 47 1HD LYS 47 3.010 11.856 -6.351 387 HD3 LYS 47 2HD LYS 47 3.734 10.300 -6.726 388 HE2 LYS 47 1HE LYS 47 3.170 11.060 -8.819 389 HE3 LYS 47 2HE LYS 47 1.877 9.923 -8.440 390 HZ1 LYS 47 3HZ LYS 47 1.779 12.856 -8.522 391 HZ2 LYS 47 1HZ LYS 47 0.556 11.973 -7.809 392 HZ3 LYS 47 2HZ LYS 47 0.911 11.764 -9.391 393 H GLN 48 H GLN 48 3.030 7.747 -2.029 394 HA GLN 48 HA GLN 48 4.111 5.180 -2.723 395 HB2 GLN 48 1HB GLN 48 3.909 6.830 -0.197 396 HB3 GLN 48 2HB GLN 48 4.247 5.132 -0.040 397 HG2 GLN 48 1HG GLN 48 5.930 6.527 -2.061 398 HG3 GLN 48 2HG GLN 48 6.116 7.108 -0.413 399 HE21 GLN 48 1HE2 GLN 48 6.694 5.480 1.322 400 HE22 GLN 48 2HE2 GLN 48 7.596 4.063 0.833 401 H ILE 49 H ILE 49 1.078 6.190 -1.132 402 HA ILE 49 HA ILE 49 0.363 3.583 -0.155 403 HB ILE 49 HB ILE 49 -1.719 5.619 -1.031 404 HG12 ILE 49 1HG1 ILE 49 -0.278 5.807 1.641 405 HG13 ILE 49 2HG1 ILE 49 -0.160 6.908 0.312 406 HG21 ILE 49 1HG2 ILE 49 -1.766 3.850 1.440 407 HG22 ILE 49 2HG2 ILE 49 -3.128 4.521 0.507 408 HG23 ILE 49 3HG2 ILE 49 -2.154 3.201 -0.148 409 HD11 ILE 49 3HD1 ILE 49 -1.772 7.887 1.706 410 HD12 ILE 49 1HD1 ILE 49 -2.762 7.097 0.460 411 HD13 ILE 49 2HD1 ILE 49 -2.573 6.326 2.038 412 H SER 50 H SER 50 -0.661 5.460 -3.167 413 HA SER 50 HA SER 50 -2.173 3.432 -4.282 414 HB2 SER 50 1HB SER 50 -0.747 4.996 -6.254 415 HB3 SER 50 2HB SER 50 -2.467 4.870 -5.904 416 HG SER 50 HG SER 50 -1.098 6.934 -5.582 417 H GLN 51 H GLN 51 1.293 4.243 -4.951 418 HA GLN 51 HA GLN 51 1.788 2.305 -6.845 419 HB2 GLN 51 1HB GLN 51 3.256 4.264 -6.099 420 HB3 GLN 51 2HB GLN 51 3.722 3.285 -4.710 421 HG2 GLN 51 1HG GLN 51 4.348 1.494 -6.630 422 HG3 GLN 51 2HG GLN 51 4.364 2.943 -7.640 423 HE21 GLN 51 1HE2 GLN 51 5.642 1.965 -4.370 424 HE22 GLN 51 2HE2 GLN 51 7.261 2.565 -4.707 425 H ALA 52 H ALA 52 1.668 1.921 -3.306 426 HA ALA 52 HA ALA 52 2.736 -0.819 -3.428 427 HB1 ALA 52 1HB ALA 52 3.130 0.361 -1.300 428 HB2 ALA 52 2HB ALA 52 1.422 0.835 -1.199 429 HB3 ALA 52 3HB ALA 52 1.905 -0.858 -0.995 430 H TYR 53 H TYR 53 -0.517 0.544 -2.605 431 HA TYR 53 HA TYR 53 -1.676 -2.044 -2.424 432 HB2 TYR 53 1HB TYR 53 -2.847 -0.260 -1.423 433 HB3 TYR 53 2HB TYR 53 -2.802 0.711 -2.891 434 HD1 TYR 53 1HD TYR 53 -4.331 -2.435 -1.443 435 HD2 TYR 53 2HD TYR 53 -4.513 0.628 -4.491 436 HE1 TYR 53 1HE TYR 53 -6.450 -3.399 -2.286 437 HE2 TYR 53 2HE TYR 53 -6.597 -0.336 -5.359 438 HH TYR 53 HH TYR 53 -7.846 -2.275 -5.370 439 H GLU 54 H GLU 54 -0.864 -0.153 -5.242 440 HA GLU 54 HA GLU 54 -2.688 -1.267 -7.113 441 HB2 GLU 54 1HB GLU 54 -1.082 0.751 -7.379 442 HB3 GLU 54 2HB GLU 54 0.170 -0.433 -7.727 443 HG2 GLU 54 1HG GLU 54 -0.637 0.320 -9.809 444 HG3 GLU 54 2HG GLU 54 -1.347 -1.279 -9.607 445 H VAL 55 H VAL 55 0.585 -2.369 -6.052 446 HA VAL 55 HA VAL 55 0.836 -4.488 -7.918 447 HB VAL 55 HB VAL 55 2.100 -4.539 -5.140 448 HG11 VAL 55 1HG1 VAL 55 2.446 -6.468 -6.735 449 HG12 VAL 55 2HG1 VAL 55 3.298 -5.327 -7.796 450 HG13 VAL 55 3HG1 VAL 55 3.906 -5.652 -6.171 451 HG21 VAL 55 3HG2 VAL 55 2.616 -2.557 -7.294 452 HG22 VAL 55 1HG2 VAL 55 2.644 -2.432 -5.496 453 HG23 VAL 55 2HG2 VAL 55 3.968 -3.198 -6.358 454 H LEU 56 H LEU 56 -0.371 -4.427 -4.537 455 HA LEU 56 HA LEU 56 -0.857 -7.279 -4.591 456 HB2 LEU 56 1HB LEU 56 -1.801 -5.221 -2.560 457 HB3 LEU 56 2HB LEU 56 -1.677 -6.968 -2.361 458 HG LEU 56 HG LEU 56 0.150 -6.153 -1.223 459 HD11 LEU 56 1HD1 LEU 56 0.834 -7.995 -2.712 460 HD12 LEU 56 2HD1 LEU 56 2.149 -6.885 -2.286 461 HD13 LEU 56 3HD1 LEU 56 1.413 -6.803 -3.893 462 HD21 LEU 56 3HD2 LEU 56 1.512 -4.498 -1.443 463 HD22 LEU 56 1HD2 LEU 56 0.001 -3.833 -2.060 464 HD23 LEU 56 2HD2 LEU 56 1.287 -4.344 -3.190 465 H SER 57 H SER 57 -2.779 -4.522 -5.555 466 HA SER 57 HA SER 57 -5.336 -5.742 -5.125 467 HB2 SER 57 1HB SER 57 -6.204 -3.957 -6.434 468 HB3 SER 57 2HB SER 57 -4.946 -3.310 -5.382 469 HG SER 57 HG SER 57 -3.533 -3.535 -7.360 470 H ASP 58 H ASP 58 -2.874 -6.403 -7.451 471 HA ASP 58 HA ASP 58 -4.804 -7.460 -9.438 472 HB2 ASP 58 1HB ASP 58 -3.168 -5.683 -10.205 473 HB3 ASP 58 2HB ASP 58 -1.876 -6.705 -9.668 474 H ALA 59 H ALA 59 -4.941 -9.664 -9.520 475 HA ALA 59 HA ALA 59 -3.306 -11.325 -7.875 476 HB1 ALA 59 1HB ALA 59 -4.528 -13.188 -8.922 477 HB2 ALA 59 2HB ALA 59 -5.657 -11.851 -8.634 478 HB3 ALA 59 3HB ALA 59 -5.031 -12.142 -10.265 479 H LYS 60 H LYS 60 -2.281 -9.855 -10.724 480 HA LYS 60 HA LYS 60 -0.691 -12.131 -11.798 481 HB2 LYS 60 1HB LYS 60 -2.008 -11.460 -13.429 482 HB3 LYS 60 2HB LYS 60 -2.070 -9.791 -12.915 483 HG2 LYS 60 1HG LYS 60 0.258 -9.423 -13.709 484 HG3 LYS 60 2HG LYS 60 0.363 -11.149 -14.119 485 HD2 LYS 60 1HD LYS 60 -0.215 -10.283 -16.157 486 HD3 LYS 60 2HD LYS 60 -1.802 -10.674 -15.507 487 HE2 LYS 60 1HE LYS 60 -0.453 -7.916 -15.480 488 HE3 LYS 60 2HE LYS 60 -1.694 -8.421 -16.624 489 HZ1 LYS 60 3HZ LYS 60 -2.722 -7.133 -14.943 490 HZ2 LYS 60 1HZ LYS 60 -2.083 -7.992 -13.723 491 HZ3 LYS 60 2HZ LYS 60 -3.226 -8.658 -14.705 492 H LYS 61 H LYS 61 -0.448 -8.511 -11.227 493 HA LYS 61 HA LYS 61 2.346 -8.541 -10.823 494 HB2 LYS 61 1HB LYS 61 0.209 -6.747 -9.574 495 HB3 LYS 61 2HB LYS 61 1.929 -6.587 -9.256 496 HG2 LYS 61 1HG LYS 61 2.067 -6.578 -11.942 497 HG3 LYS 61 2HG LYS 61 0.397 -6.051 -11.769 498 HD2 LYS 61 1HD LYS 61 1.710 -4.043 -11.906 499 HD3 LYS 61 2HD LYS 61 1.093 -4.218 -10.276 500 HE2 LYS 61 1HE LYS 61 3.221 -3.565 -9.793 501 HE3 LYS 61 2HE LYS 61 3.459 -5.321 -9.770 502 HZ1 LYS 61 3HZ LYS 61 4.568 -5.210 -11.838 503 HZ2 LYS 61 1HZ LYS 61 5.144 -4.032 -10.928 504 HZ3 LYS 61 2HZ LYS 61 4.077 -3.638 -12.120 505 H ARG 62 H ARG 62 -0.248 -9.127 -8.326 506 HA ARG 62 HA ARG 62 1.581 -9.572 -6.251 507 HB2 ARG 62 1HB ARG 62 -0.804 -9.348 -5.839 508 HB3 ARG 62 2HB ARG 62 -1.119 -10.900 -6.602 509 HG2 ARG 62 1HG ARG 62 -0.090 -12.142 -4.925 510 HG3 ARG 62 2HG ARG 62 0.908 -10.797 -4.357 511 HD2 ARG 62 1HD ARG 62 -0.697 -9.889 -3.043 512 HD3 ARG 62 2HD ARG 62 -2.056 -10.574 -3.985 513 HE ARG 62 HE ARG 62 -0.240 -12.034 -2.110 514 HH11 ARG 62 1HH1 ARG 62 -3.050 -12.303 -4.265 515 HH12 ARG 62 2HH1 ARG 62 -3.509 -13.847 -3.666 516 HH21 ARG 62 1HH2 ARG 62 -0.900 -13.930 -1.247 517 HH22 ARG 62 2HH2 ARG 62 -2.051 -14.942 -2.087 518 H GLU 63 H GLU 63 0.795 -11.833 -8.916 519 HA GLU 63 HA GLU 63 1.721 -14.195 -7.592 520 HB2 GLU 63 1HB GLU 63 0.351 -14.004 -9.784 521 HB3 GLU 63 2HB GLU 63 1.878 -13.658 -10.588 522 HG2 GLU 63 1HG GLU 63 2.475 -15.930 -9.085 523 HG3 GLU 63 2HG GLU 63 0.787 -16.188 -9.523 524 H LEU 64 H LEU 64 3.316 -11.922 -9.847 525 HA LEU 64 HA LEU 64 5.898 -13.228 -9.643 526 HB2 LEU 64 1HB LEU 64 4.921 -10.615 -10.841 527 HB3 LEU 64 2HB LEU 64 6.647 -10.946 -10.689 528 HG LEU 64 HG LEU 64 6.482 -12.958 -12.040 529 HD11 LEU 64 1HD1 LEU 64 4.399 -13.497 -13.290 530 HD12 LEU 64 2HD1 LEU 64 3.526 -12.324 -12.260 531 HD13 LEU 64 3HD1 LEU 64 4.282 -13.786 -11.562 532 HD21 LEU 64 3HD2 LEU 64 5.828 -11.852 -14.214 533 HD22 LEU 64 1HD2 LEU 64 6.977 -10.960 -13.217 534 HD23 LEU 64 2HD2 LEU 64 5.267 -10.464 -13.260 535 H TYR 65 H TYR 65 4.357 -10.466 -7.998 536 HA TYR 65 HA TYR 65 6.590 -9.535 -6.510 537 HB2 TYR 65 1HB TYR 65 4.574 -8.267 -6.585 538 HB3 TYR 65 2HB TYR 65 3.623 -9.639 -6.066 539 HD1 TYR 65 1HD TYR 65 6.181 -7.222 -4.866 540 HD2 TYR 65 2HD TYR 65 3.141 -10.096 -3.819 541 HE1 TYR 65 1HE TYR 65 6.275 -6.457 -2.517 542 HE2 TYR 65 2HE TYR 65 3.195 -9.353 -1.480 543 HH TYR 65 HH TYR 65 5.614 -6.905 -0.366 544 H ASP 66 H ASP 66 4.552 -12.433 -6.008 545 HA ASP 66 HA ASP 66 5.337 -12.775 -3.285 546 HB2 ASP 66 1HB ASP 66 3.342 -13.815 -4.556 547 HB3 ASP 66 2HB ASP 66 4.489 -15.009 -5.164 548 H LYS 67 H LYS 67 6.707 -13.888 -6.351 549 HA LYS 67 HA LYS 67 9.256 -14.452 -5.049 550 HB2 LYS 67 1HB LYS 67 9.424 -16.435 -6.632 551 HB3 LYS 67 2HB LYS 67 8.488 -16.612 -5.162 552 HG2 LYS 67 1HG LYS 67 6.490 -16.828 -6.213 553 HG3 LYS 67 2HG LYS 67 6.936 -15.840 -7.602 554 HD2 LYS 67 1HD LYS 67 8.274 -18.523 -7.151 555 HD3 LYS 67 2HD LYS 67 6.670 -18.416 -7.885 556 HE2 LYS 67 1HE LYS 67 7.495 -16.928 -9.640 557 HE3 LYS 67 2HE LYS 67 9.126 -16.957 -8.944 558 HZ1 LYS 67 3HZ LYS 67 8.789 -18.530 -10.799 559 HZ2 LYS 67 1HZ LYS 67 7.672 -19.350 -9.892 560 HZ3 LYS 67 2HZ LYS 67 9.240 -19.295 -9.405 561 H GLY 68 H GLY 68 9.691 -12.327 -5.961 562 HA2 GLY 68 1HA GLY 68 11.342 -12.260 -8.096 563 HA3 GLY 68 2HA GLY 68 9.773 -12.094 -8.901 564 H GLY 69 H GLY 69 8.287 -10.390 -7.938 565 HA2 GLY 69 1HA GLY 69 7.863 -8.180 -7.330 566 HA3 GLY 69 2HA GLY 69 9.271 -8.304 -6.265 567 H GLU 70 H GLU 70 9.595 -8.720 -9.707 568 HA GLU 70 HA GLU 70 10.960 -6.091 -9.986 569 HB2 GLU 70 1HB GLU 70 12.364 -8.147 -9.301 570 HB3 GLU 70 2HB GLU 70 12.010 -8.778 -10.897 571 HG2 GLU 70 1HG GLU 70 13.043 -6.496 -11.760 572 HG3 GLU 70 2HG GLU 70 13.579 -6.292 -10.096 573 H GLN 71 H GLN 71 8.265 -7.056 -10.970 574 HA GLN 71 HA GLN 71 8.435 -5.989 -13.569 575 HB2 GLN 71 1HB GLN 71 7.208 -8.770 -13.323 576 HB3 GLN 71 2HB GLN 71 7.141 -7.721 -14.742 577 HG2 GLN 71 1HG GLN 71 9.664 -7.814 -14.849 578 HG3 GLN 71 2HG GLN 71 9.605 -9.039 -13.562 579 HE21 GLN 71 1HE2 GLN 71 10.953 -9.976 -15.412 580 HE22 GLN 71 2HE2 GLN 71 10.112 -10.992 -16.568 Start of MODEL 13 1 H1 GLY 1 H GLY 1 12.134 2.984 14.581 2 HA2 GLY 1 1HA GLY 1 14.531 2.918 15.076 3 HA3 GLY 1 2HA GLY 1 14.641 1.543 13.975 4 H MET 2 H MET 2 15.575 2.157 12.085 5 HA MET 2 HA MET 2 14.577 4.564 10.666 6 HB2 MET 2 1HB MET 2 16.851 5.454 10.407 7 HB3 MET 2 2HB MET 2 16.456 5.295 12.117 8 HG2 MET 2 1HG MET 2 17.623 2.902 11.823 9 HG3 MET 2 2HG MET 2 18.383 3.696 10.445 10 HE1 MET 2 3HE MET 2 21.184 3.541 13.143 11 HE2 MET 2 1HE MET 2 19.850 2.367 13.044 12 HE3 MET 2 2HE MET 2 20.602 2.985 11.560 13 H VAL 3 H VAL 3 14.881 1.476 10.436 14 HA VAL 3 HA VAL 3 15.970 1.140 7.764 15 HB VAL 3 HB VAL 3 15.893 -0.798 9.079 16 HG11 VAL 3 1HG1 VAL 3 14.159 -0.258 10.737 17 HG12 VAL 3 2HG1 VAL 3 12.900 -0.469 9.502 18 HG13 VAL 3 3HG1 VAL 3 13.899 -1.838 10.005 19 HG21 VAL 3 3HG2 VAL 3 14.629 -2.367 7.731 20 HG22 VAL 3 1HG2 VAL 3 13.583 -1.079 7.108 21 HG23 VAL 3 2HG2 VAL 3 15.314 -1.121 6.691 22 H LYS 4 H LYS 4 15.171 2.296 6.164 23 HA LYS 4 HA LYS 4 12.238 2.790 6.005 24 HB2 LYS 4 1HB LYS 4 14.546 4.283 4.663 25 HB3 LYS 4 2HB LYS 4 12.846 4.681 4.497 26 HG2 LYS 4 1HG LYS 4 14.633 5.152 6.867 27 HG3 LYS 4 2HG LYS 4 13.568 6.252 6.006 28 HD2 LYS 4 1HD LYS 4 11.696 4.555 6.923 29 HD3 LYS 4 2HD LYS 4 12.928 4.270 8.176 30 HE2 LYS 4 1HE LYS 4 12.820 6.559 8.870 31 HE3 LYS 4 2HE LYS 4 11.948 7.019 7.402 32 HZ1 LYS 4 3HZ LYS 4 10.903 5.408 9.632 33 HZ2 LYS 4 1HZ LYS 4 10.142 5.513 8.166 34 HZ3 LYS 4 2HZ LYS 4 10.355 6.859 9.086 35 H GLU 5 H GLU 5 13.810 0.401 5.169 36 HA GLU 5 HA GLU 5 12.914 0.195 2.340 37 HB2 GLU 5 1HB GLU 5 14.948 -1.310 2.137 38 HB3 GLU 5 2HB GLU 5 15.165 0.435 2.217 39 HG2 GLU 5 1HG GLU 5 15.804 0.138 4.668 40 HG3 GLU 5 2HG GLU 5 15.752 -1.612 4.394 41 H THR 6 H THR 6 10.884 -0.495 3.240 42 HA THR 6 HA THR 6 10.847 -3.364 3.868 43 HB THR 6 HB THR 6 8.945 -1.398 5.178 44 HG1 THR 6 1HG THR 6 11.063 -0.906 5.809 45 HG21 THR 6 3HG2 THR 6 9.849 -4.229 5.821 46 HG22 THR 6 1HG2 THR 6 8.281 -3.762 5.151 47 HG23 THR 6 2HG2 THR 6 8.709 -3.270 6.793 48 H THR 7 H THR 7 9.032 -4.377 2.965 49 HA THR 7 HA THR 7 8.468 -3.442 0.420 50 HB THR 7 HB THR 7 8.614 -5.824 1.166 51 HG1 THR 7 1HG THR 7 7.746 -5.486 -0.834 52 HG21 THR 7 3HG2 THR 7 7.222 -5.759 3.188 53 HG22 THR 7 1HG2 THR 7 6.592 -6.948 2.024 54 HG23 THR 7 2HG2 THR 7 5.780 -5.386 2.193 55 H TYR 8 H TYR 8 6.218 -3.769 -0.452 56 HA TYR 8 HA TYR 8 4.735 -1.443 -0.157 57 HB2 TYR 8 1HB TYR 8 4.052 -4.159 -1.343 58 HB3 TYR 8 2HB TYR 8 3.054 -2.725 -1.598 59 HD1 TYR 8 2HD TYR 8 4.974 -0.534 -2.125 60 HD2 TYR 8 1HD TYR 8 5.139 -4.680 -3.338 61 HE1 TYR 8 2HE TYR 8 6.375 0.092 -4.020 62 HE2 TYR 8 1HE TYR 8 6.663 -4.059 -5.185 63 HH TYR 8 HH TYR 8 8.184 -2.158 -5.907 64 H TYR 9 H TYR 9 4.199 -4.520 1.574 65 HA TYR 9 HA TYR 9 1.680 -3.828 2.675 66 HB2 TYR 9 1HB TYR 9 3.927 -5.560 3.751 67 HB3 TYR 9 2HB TYR 9 2.365 -5.367 4.563 68 HD1 TYR 9 2HD TYR 9 0.204 -5.926 3.207 69 HD2 TYR 9 1HD TYR 9 4.153 -7.238 2.066 70 HE1 TYR 9 2HE TYR 9 -0.785 -7.790 1.915 71 HE2 TYR 9 1HE TYR 9 3.192 -9.054 0.759 72 HH TYR 9 HH TYR 9 1.247 -10.235 0.296 73 H ASP 10 H ASP 10 5.007 -2.949 3.894 74 HA ASP 10 HA ASP 10 3.839 -1.715 6.292 75 HB2 ASP 10 1HB ASP 10 6.466 -2.405 5.647 76 HB3 ASP 10 2HB ASP 10 6.493 -0.680 5.511 77 H VAL 11 H VAL 11 4.744 -0.699 2.996 78 HA VAL 11 HA VAL 11 4.484 2.092 3.425 79 HB VAL 11 HB VAL 11 3.895 0.417 0.953 80 HG11 VAL 11 1HG1 VAL 11 4.116 2.611 -0.282 81 HG12 VAL 11 2HG1 VAL 11 2.628 2.379 0.628 82 HG13 VAL 11 3HG1 VAL 11 3.927 3.422 1.271 83 HG21 VAL 11 3HG2 VAL 11 6.053 1.227 0.144 84 HG22 VAL 11 1HG2 VAL 11 6.286 2.150 1.647 85 HG23 VAL 11 2HG2 VAL 11 6.258 0.369 1.678 86 H LEU 12 H LEU 12 2.148 -0.391 2.567 87 HA LEU 12 HA LEU 12 -0.120 1.358 2.748 88 HB2 LEU 12 1HB LEU 12 0.244 -1.671 2.515 89 HB3 LEU 12 2HB LEU 12 -1.333 -0.884 2.435 90 HG LEU 12 HG LEU 12 0.871 -0.115 0.510 91 HD11 LEU 12 1HD1 LEU 12 -1.377 -2.154 0.129 92 HD12 LEU 12 2HD1 LEU 12 0.332 -2.569 0.355 93 HD13 LEU 12 3HD1 LEU 12 -0.171 -1.680 -1.068 94 HD21 LEU 12 3HD2 LEU 12 -1.134 0.601 -0.817 95 HD22 LEU 12 1HD2 LEU 12 -0.912 1.500 0.682 96 HD23 LEU 12 2HD2 LEU 12 -2.159 0.248 0.583 97 H GLY 13 H GLY 13 1.708 0.586 5.239 98 HA2 GLY 13 1HA GLY 13 1.410 0.498 7.487 99 HA3 GLY 13 2HA GLY 13 -0.178 1.231 7.185 100 H VAL 14 H VAL 14 1.152 -2.092 6.382 101 HA VAL 14 HA VAL 14 -0.497 -3.222 8.479 102 HB VAL 14 HB VAL 14 -1.840 -2.919 6.284 103 HG11 VAL 14 1HG1 VAL 14 -1.676 -4.747 4.629 104 HG12 VAL 14 2HG1 VAL 14 -0.177 -3.778 4.673 105 HG13 VAL 14 3HG1 VAL 14 -0.247 -5.371 5.449 106 HG21 VAL 14 3HG2 VAL 14 -1.801 -5.643 7.564 107 HG22 VAL 14 1HG2 VAL 14 -2.612 -4.168 8.164 108 HG23 VAL 14 2HG2 VAL 14 -3.121 -4.874 6.616 109 H LYS 15 H LYS 15 -0.038 -5.615 8.650 110 HA LYS 15 HA LYS 15 2.823 -6.016 8.394 111 HB2 LYS 15 1HB LYS 15 2.295 -8.139 9.700 112 HB3 LYS 15 2HB LYS 15 2.099 -6.581 10.459 113 HG2 LYS 15 1HG LYS 15 0.302 -7.908 11.181 114 HG3 LYS 15 2HG LYS 15 -0.383 -6.703 10.126 115 HD2 LYS 15 1HD LYS 15 -0.497 -8.287 8.298 116 HD3 LYS 15 2HD LYS 15 0.353 -9.510 9.238 117 HE2 LYS 15 1HE LYS 15 -2.432 -8.402 9.769 118 HE3 LYS 15 2HE LYS 15 -2.047 -10.015 9.178 119 HZ1 LYS 15 3HZ LYS 15 -0.895 -10.381 11.361 120 HZ2 LYS 15 1HZ LYS 15 -2.512 -10.111 11.492 121 HZ3 LYS 15 2HZ LYS 15 -1.470 -8.914 11.842 122 HA PRO 16 HA PRO 16 2.768 -8.042 4.623 123 HB2 PRO 16 1HB PRO 16 4.855 -9.844 4.696 124 HB3 PRO 16 2HB PRO 16 5.029 -8.065 4.699 125 HG2 PRO 16 1HG PRO 16 5.036 -9.930 7.088 126 HG3 PRO 16 2HG PRO 16 6.206 -8.631 6.687 127 HD2 PRO 16 1HD PRO 16 4.171 -8.230 8.430 128 HD3 PRO 16 2HD PRO 16 4.674 -6.942 7.287 129 H ASN 17 H ASN 17 1.478 -9.690 7.048 130 HA ASN 17 HA ASN 17 0.897 -12.187 5.504 131 HB2 ASN 17 1HB ASN 17 0.367 -11.639 8.454 132 HB3 ASN 17 2HB ASN 17 0.099 -13.139 7.591 133 HD21 ASN 17 1HD2 ASN 17 1.747 -14.664 7.639 134 HD22 ASN 17 2HD2 ASN 17 3.339 -14.320 8.242 135 H ALA 18 H ALA 18 -0.337 -9.163 5.662 136 HA ALA 18 HA ALA 18 -3.046 -9.379 6.448 137 HB1 ALA 18 1HB ALA 18 -3.357 -7.377 5.054 138 HB2 ALA 18 2HB ALA 18 -1.866 -7.254 6.007 139 HB3 ALA 18 3HB ALA 18 -1.783 -7.647 4.278 140 H THR 19 H THR 19 -4.845 -10.156 5.515 141 HA THR 19 HA THR 19 -4.868 -11.700 3.119 142 HB THR 19 HB THR 19 -7.452 -11.354 3.843 143 HG1 THR 19 1HG THR 19 -7.548 -11.071 6.077 144 HG21 THR 19 3HG2 THR 19 -5.397 -12.912 5.491 145 HG22 THR 19 1HG2 THR 19 -6.210 -13.495 4.029 146 HG23 THR 19 2HG2 THR 19 -7.143 -13.210 5.491 147 H GLN 20 H GLN 20 -6.373 -11.153 1.298 148 HA GLN 20 HA GLN 20 -5.593 -8.646 0.146 149 HB2 GLN 20 1HB GLN 20 -8.028 -9.910 -0.989 150 HB3 GLN 20 2HB GLN 20 -6.590 -9.295 -1.764 151 HG2 GLN 20 1HG GLN 20 -7.218 -12.026 -0.748 152 HG3 GLN 20 2HG GLN 20 -6.642 -11.537 -2.318 153 HE21 GLN 20 1HE2 GLN 20 -4.245 -10.982 -2.486 154 HE22 GLN 20 2HE2 GLN 20 -3.167 -11.819 -1.371 155 H GLU 21 H GLU 21 -8.320 -9.788 1.964 156 HA GLU 21 HA GLU 21 -10.118 -7.588 1.554 157 HB2 GLU 21 1HB GLU 21 -9.970 -9.708 3.767 158 HB3 GLU 21 2HB GLU 21 -11.331 -8.650 3.346 159 HG2 GLU 21 1HG GLU 21 -11.064 -9.619 0.992 160 HG3 GLU 21 2HG GLU 21 -10.353 -11.017 1.825 161 H GLU 22 H GLU 22 -7.536 -8.288 3.907 162 HA GLU 22 HA GLU 22 -8.264 -6.081 5.648 163 HB2 GLU 22 1HB GLU 22 -5.925 -8.022 5.449 164 HB3 GLU 22 2HB GLU 22 -5.805 -6.585 6.473 165 HG2 GLU 22 1HG GLU 22 -8.048 -8.618 6.718 166 HG3 GLU 22 2HG GLU 22 -6.576 -8.648 7.674 167 H LEU 23 H LEU 23 -5.908 -6.697 3.072 168 HA LEU 23 HA LEU 23 -4.563 -4.264 2.973 169 HB2 LEU 23 1HB LEU 23 -5.426 -6.301 0.928 170 HB3 LEU 23 2HB LEU 23 -4.878 -4.764 0.310 171 HG LEU 23 HG LEU 23 -3.162 -6.472 2.158 172 HD11 LEU 23 1HD1 LEU 23 -3.649 -7.713 0.113 173 HD12 LEU 23 2HD1 LEU 23 -1.987 -7.129 0.073 174 HD13 LEU 23 3HD1 LEU 23 -3.237 -6.280 -0.880 175 HD21 LEU 23 3HD2 LEU 23 -2.509 -4.152 0.266 176 HD22 LEU 23 1HD2 LEU 23 -1.337 -5.070 1.236 177 HD23 LEU 23 2HD2 LEU 23 -2.534 -4.064 2.037 178 H LYS 24 H LYS 24 -7.651 -5.024 1.184 179 HA LYS 24 HA LYS 24 -7.890 -2.368 0.256 180 HB2 LYS 24 1HB LYS 24 -9.933 -2.858 -0.591 181 HB3 LYS 24 2HB LYS 24 -9.123 -4.429 -0.543 182 HG2 LYS 24 1HG LYS 24 -10.488 -5.016 1.440 183 HG3 LYS 24 2HG LYS 24 -11.307 -3.453 1.313 184 HD2 LYS 24 1HD LYS 24 -11.720 -4.307 -1.216 185 HD3 LYS 24 2HD LYS 24 -11.475 -5.876 -0.448 186 HE2 LYS 24 1HE LYS 24 -13.791 -5.587 -0.268 187 HE3 LYS 24 2HE LYS 24 -13.223 -5.053 1.313 188 HZ1 LYS 24 3HZ LYS 24 -14.048 -3.376 -0.975 189 HZ2 LYS 24 1HZ LYS 24 -13.326 -2.725 0.323 190 HZ3 LYS 24 2HZ LYS 24 -14.779 -3.497 0.484 191 H LYS 25 H LYS 25 -9.353 -3.829 3.044 192 HA LYS 25 HA LYS 25 -10.767 -1.599 4.095 193 HB2 LYS 25 1HB LYS 25 -9.714 -4.066 5.343 194 HB3 LYS 25 2HB LYS 25 -9.767 -2.670 6.400 195 HG2 LYS 25 1HG LYS 25 -12.201 -2.324 5.550 196 HG3 LYS 25 2HG LYS 25 -12.096 -4.015 5.022 197 HD2 LYS 25 1HD LYS 25 -11.638 -4.727 7.313 198 HD3 LYS 25 2HD LYS 25 -11.380 -3.048 7.808 199 HE2 LYS 25 1HE LYS 25 -13.814 -2.599 7.155 200 HE3 LYS 25 2HE LYS 25 -14.017 -4.353 7.098 201 HZ1 LYS 25 3HZ LYS 25 -13.192 -2.727 9.414 202 HZ2 LYS 25 1HZ LYS 25 -13.209 -4.381 9.427 203 HZ3 LYS 25 2HZ LYS 25 -14.619 -3.579 9.249 204 H ALA 26 H ALA 26 -7.281 -2.353 4.640 205 HA ALA 26 HA ALA 26 -6.660 -0.162 6.311 206 HB1 ALA 26 1HB ALA 26 -4.355 -0.548 5.594 207 HB2 ALA 26 2HB ALA 26 -5.174 -2.083 5.965 208 HB3 ALA 26 3HB ALA 26 -4.921 -1.576 4.280 209 H TYR 27 H TYR 27 -6.575 -0.499 2.791 210 HA TYR 27 HA TYR 27 -5.288 1.885 2.121 211 HB2 TYR 27 1HB TYR 27 -5.614 0.073 0.530 212 HB3 TYR 27 2HB TYR 27 -7.346 0.333 0.512 213 HD1 TYR 27 1HD TYR 27 -8.330 2.301 -0.618 214 HD2 TYR 27 2HD TYR 27 -4.089 1.664 -0.514 215 HE1 TYR 27 1HE TYR 27 -8.049 3.999 -2.412 216 HE2 TYR 27 2HE TYR 27 -3.760 3.458 -2.213 217 HH TYR 27 HH TYR 27 -4.841 4.886 -3.722 218 H ARG 28 H ARG 28 -8.786 1.331 2.284 219 HA ARG 28 HA ARG 28 -9.826 3.803 1.607 220 HB2 ARG 28 1HB ARG 28 -10.579 1.492 3.304 221 HB3 ARG 28 2HB ARG 28 -11.397 2.956 3.797 222 HG2 ARG 28 1HG ARG 28 -11.338 2.134 0.873 223 HG3 ARG 28 2HG ARG 28 -12.469 1.403 2.014 224 HD2 ARG 28 1HD ARG 28 -13.168 3.760 2.660 225 HD3 ARG 28 2HD ARG 28 -12.213 4.344 1.276 226 HE ARG 28 HE ARG 28 -13.764 2.409 0.138 227 HH11 ARG 28 1HH1 ARG 28 -14.545 5.212 2.128 228 HH12 ARG 28 2HH1 ARG 28 -16.110 5.471 1.499 229 HH21 ARG 28 1HH2 ARG 28 -15.756 2.583 -0.689 230 HH22 ARG 28 2HH2 ARG 28 -16.775 3.966 -0.421 231 H LYS 29 H LYS 29 -9.122 2.906 4.988 232 HA LYS 29 HA LYS 29 -9.524 5.557 5.991 233 HB2 LYS 29 1HB LYS 29 -8.559 4.599 8.103 234 HB3 LYS 29 2HB LYS 29 -9.886 3.656 7.404 235 HG2 LYS 29 1HG LYS 29 -8.218 2.125 6.338 236 HG3 LYS 29 2HG LYS 29 -6.899 3.001 7.155 237 HD2 LYS 29 1HD LYS 29 -9.226 1.605 8.530 238 HD3 LYS 29 2HD LYS 29 -7.687 0.817 8.104 239 HE2 LYS 29 1HE LYS 29 -6.496 1.948 9.732 240 HE3 LYS 29 2HE LYS 29 -7.448 3.422 9.582 241 HZ1 LYS 29 3HZ LYS 29 -7.715 2.096 11.692 242 HZ2 LYS 29 1HZ LYS 29 -8.598 1.025 10.812 243 HZ3 LYS 29 2HZ LYS 29 -9.109 2.574 10.920 244 H LEU 30 H LEU 30 -6.667 4.133 4.499 245 HA LEU 30 HA LEU 30 -4.882 6.181 5.560 246 HB2 LEU 30 1HB LEU 30 -4.673 3.699 3.956 247 HB3 LEU 30 2HB LEU 30 -3.749 5.002 3.258 248 HG LEU 30 HG LEU 30 -2.167 5.004 4.768 249 HD11 LEU 30 1HD1 LEU 30 -3.241 5.741 6.755 250 HD12 LEU 30 2HD1 LEU 30 -2.370 4.279 7.187 251 HD13 LEU 30 3HD1 LEU 30 -4.128 4.196 6.947 252 HD21 LEU 30 3HD2 LEU 30 -3.233 2.231 5.268 253 HD22 LEU 30 1HD2 LEU 30 -1.576 2.794 5.597 254 HD23 LEU 30 2HD2 LEU 30 -2.174 2.776 3.937 255 H ALA 31 H ALA 31 -6.473 5.491 2.416 256 HA ALA 31 HA ALA 31 -5.661 7.763 1.004 257 HB1 ALA 31 1HB ALA 31 -8.260 6.160 0.935 258 HB2 ALA 31 2HB ALA 31 -7.806 7.361 -0.271 259 HB3 ALA 31 3HB ALA 31 -6.813 5.905 -0.062 260 H LEU 32 H LEU 32 -8.621 7.385 3.021 261 HA LEU 32 HA LEU 32 -9.346 10.144 2.854 262 HB2 LEU 32 1HB LEU 32 -10.081 7.888 4.773 263 HB3 LEU 32 2HB LEU 32 -10.598 9.550 5.025 264 HG LEU 32 HG LEU 32 -11.530 9.503 2.627 265 HD11 LEU 32 1HD1 LEU 32 -10.607 7.348 1.862 266 HD12 LEU 32 2HD1 LEU 32 -12.369 7.358 1.827 267 HD13 LEU 32 3HD1 LEU 32 -11.520 6.505 3.139 268 HD21 LEU 32 3HD2 LEU 32 -12.780 7.886 4.893 269 HD22 LEU 32 1HD2 LEU 32 -13.670 8.555 3.496 270 HD23 LEU 32 2HD2 LEU 32 -12.901 9.638 4.651 271 H LYS 33 H LYS 33 -6.849 8.625 4.909 272 HA LYS 33 HA LYS 33 -6.860 10.797 6.851 273 HB2 LYS 33 1HB LYS 33 -6.107 8.583 7.525 274 HB3 LYS 33 2HB LYS 33 -4.837 8.584 6.296 275 HG2 LYS 33 1HG LYS 33 -3.533 10.171 7.380 276 HG3 LYS 33 2HG LYS 33 -4.941 10.836 8.185 277 HD2 LYS 33 1HD LYS 33 -3.606 9.730 9.856 278 HD3 LYS 33 2HD LYS 33 -5.127 8.851 9.632 279 HE2 LYS 33 1HE LYS 33 -3.800 7.367 7.946 280 HE3 LYS 33 2HE LYS 33 -2.342 8.122 8.640 281 HZ1 LYS 33 3HZ LYS 33 -4.314 6.376 9.918 282 HZ2 LYS 33 1HZ LYS 33 -3.351 7.355 10.848 283 HZ3 LYS 33 2HZ LYS 33 -2.676 6.213 9.858 284 H TYR 34 H TYR 34 -4.624 9.700 4.298 285 HA TYR 34 HA TYR 34 -3.122 12.175 4.278 286 HB2 TYR 34 1HB TYR 34 -3.074 9.723 2.468 287 HB3 TYR 34 2HB TYR 34 -1.864 11.003 2.493 288 HD1 TYR 34 1HD TYR 34 -0.759 11.526 4.839 289 HD2 TYR 34 2HD TYR 34 -2.682 7.782 3.876 290 HE1 TYR 34 1HE TYR 34 0.552 10.397 6.597 291 HE2 TYR 34 2HE TYR 34 -1.409 6.669 5.607 292 HH TYR 34 HH TYR 34 0.340 6.836 7.135 293 H HIS 35 H HIS 35 -6.175 12.081 3.383 294 HA HIS 35 HA HIS 35 -6.247 12.568 0.610 295 HB2 HIS 35 1HB HIS 35 -8.116 12.394 2.579 296 HB3 HIS 35 2HB HIS 35 -8.031 14.123 2.511 297 HD1 HIS 35 1HD HIS 35 -9.179 15.282 0.327 298 HD2 HIS 35 2HD HIS 35 -9.090 11.070 0.467 299 HE1 HIS 35 1HE HIS 35 -10.723 14.486 -1.508 300 HA PRO 36 HA PRO 36 -4.054 16.415 0.668 301 HB2 PRO 36 1HB PRO 36 -4.732 17.524 -1.755 302 HB3 PRO 36 2HB PRO 36 -3.628 16.137 -1.563 303 HG2 PRO 36 1HG PRO 36 -6.568 16.127 -2.259 304 HG3 PRO 36 2HG PRO 36 -5.251 15.176 -3.004 305 HD2 PRO 36 1HD PRO 36 -6.935 14.150 -1.125 306 HD3 PRO 36 2HD PRO 36 -5.235 13.654 -1.200 307 H ASP 37 H ASP 37 -7.437 16.498 -0.009 308 HA ASP 37 HA ASP 37 -8.332 19.019 0.029 309 HB2 ASP 37 1HB ASP 37 -9.647 16.891 -0.075 310 HB3 ASP 37 2HB ASP 37 -9.589 16.788 1.683 311 H LYS 38 H LYS 38 -7.408 17.300 3.049 312 HA LYS 38 HA LYS 38 -7.222 19.943 4.390 313 HB2 LYS 38 1HB LYS 38 -8.312 17.384 5.589 314 HB3 LYS 38 2HB LYS 38 -7.975 18.881 6.451 315 HG2 LYS 38 1HG LYS 38 -9.582 20.003 4.725 316 HG3 LYS 38 2HG LYS 38 -10.158 18.352 4.440 317 HD2 LYS 38 1HD LYS 38 -10.107 19.886 7.061 318 HD3 LYS 38 2HD LYS 38 -11.551 19.407 6.136 319 HE2 LYS 38 1HE LYS 38 -10.977 17.008 6.489 320 HE3 LYS 38 2HE LYS 38 -9.525 17.485 7.376 321 HZ1 LYS 38 3HZ LYS 38 -11.061 16.967 8.942 322 HZ2 LYS 38 1HZ LYS 38 -12.299 17.793 8.244 323 HZ3 LYS 38 2HZ LYS 38 -11.070 18.605 8.987 324 H ASN 39 H ASN 39 -5.209 18.150 3.015 325 HA ASN 39 HA ASN 39 -3.241 18.269 5.133 326 HB2 ASN 39 1HB ASN 39 -4.362 16.018 5.470 327 HB3 ASN 39 2HB ASN 39 -3.663 15.515 3.926 328 HD21 ASN 39 1HD2 ASN 39 -3.170 14.263 6.383 329 HD22 ASN 39 2HD2 ASN 39 -1.448 14.335 6.631 330 HA PRO 40 HA PRO 40 -2.103 18.971 0.644 331 HB2 PRO 40 1HB PRO 40 -1.039 21.515 0.927 332 HB3 PRO 40 2HB PRO 40 -2.764 21.171 0.599 333 HG2 PRO 40 1HG PRO 40 -1.437 21.759 3.254 334 HG3 PRO 40 2HG PRO 40 -2.962 22.424 2.605 335 HD2 PRO 40 1HD PRO 40 -2.947 20.373 4.376 336 HD3 PRO 40 2HD PRO 40 -4.132 20.417 3.046 337 H ASN 41 H ASN 41 -0.437 19.099 3.705 338 HA ASN 41 HA ASN 41 2.274 19.233 2.651 339 HB2 ASN 41 1HB ASN 41 0.999 18.844 5.329 340 HB3 ASN 41 2HB ASN 41 2.467 17.907 5.084 341 HD21 ASN 41 1HD2 ASN 41 1.252 21.104 5.721 342 HD22 ASN 41 2HD2 ASN 41 2.796 21.851 5.774 343 H GLU 42 H GLU 42 0.174 16.507 3.834 344 HA GLU 42 HA GLU 42 2.186 14.608 2.822 345 HB2 GLU 42 1HB GLU 42 -0.440 14.134 4.270 346 HB3 GLU 42 2HB GLU 42 0.740 12.897 3.816 347 HG2 GLU 42 1HG GLU 42 2.493 14.033 5.155 348 HG3 GLU 42 2HG GLU 42 1.309 15.216 5.708 349 H GLY 43 H GLY 43 0.184 16.413 1.122 350 HA2 GLY 43 1HA GLY 43 -1.521 14.785 -0.355 351 HA3 GLY 43 2HA GLY 43 -0.736 16.255 -0.959 352 H GLU 44 H GLU 44 2.023 15.268 -0.829 353 HA GLU 44 HA GLU 44 2.208 13.694 -3.257 354 HB2 GLU 44 1HB GLU 44 4.258 14.150 -1.019 355 HB3 GLU 44 2HB GLU 44 4.582 13.268 -2.505 356 HG2 GLU 44 1HG GLU 44 5.478 15.378 -2.899 357 HG3 GLU 44 2HG GLU 44 3.966 15.365 -3.806 358 H LYS 45 H LYS 45 2.235 12.850 0.181 359 HA LYS 45 HA LYS 45 3.371 10.282 -0.111 360 HB2 LYS 45 1HB LYS 45 2.862 11.901 1.967 361 HB3 LYS 45 2HB LYS 45 1.412 10.898 2.109 362 HG2 LYS 45 1HG LYS 45 3.044 8.861 2.006 363 HG3 LYS 45 2HG LYS 45 4.340 10.043 2.278 364 HD2 LYS 45 1HD LYS 45 1.923 9.571 4.059 365 HD3 LYS 45 2HD LYS 45 3.586 9.002 4.371 366 HE2 LYS 45 1HE LYS 45 4.114 11.638 3.997 367 HE3 LYS 45 2HE LYS 45 2.438 11.776 4.519 368 HZ1 LYS 45 3HZ LYS 45 4.768 10.931 6.026 369 HZ2 LYS 45 1HZ LYS 45 3.302 10.255 6.422 370 HZ3 LYS 45 2HZ LYS 45 3.475 11.877 6.476 371 H PHE 46 H PHE 46 0.121 11.308 -0.656 372 HA PHE 46 HA PHE 46 -1.290 8.828 -0.426 373 HB2 PHE 46 1HB PHE 46 -1.974 11.338 -1.190 374 HB3 PHE 46 2HB PHE 46 -1.771 10.668 -2.778 375 HD1 PHE 46 1HD PHE 46 -3.007 8.085 -2.905 376 HD2 PHE 46 2HD PHE 46 -4.211 11.541 -0.634 377 HE1 PHE 46 1HE PHE 46 -5.347 7.313 -2.969 378 HE2 PHE 46 2HE PHE 46 -6.567 10.773 -0.726 379 HZ PHE 46 HZ PHE 46 -7.142 8.684 -1.917 380 H LYS 47 H LYS 47 0.851 10.134 -2.966 381 HA LYS 47 HA LYS 47 0.306 8.174 -4.921 382 HB2 LYS 47 1HB LYS 47 1.788 10.523 -4.802 383 HB3 LYS 47 2HB LYS 47 3.056 9.297 -4.984 384 HG2 LYS 47 1HG LYS 47 1.762 8.394 -6.965 385 HG3 LYS 47 2HG LYS 47 0.569 9.690 -6.709 386 HD2 LYS 47 1HD LYS 47 2.501 11.358 -6.980 387 HD3 LYS 47 2HD LYS 47 3.484 9.977 -7.524 388 HE2 LYS 47 1HE LYS 47 1.617 9.476 -9.191 389 HE3 LYS 47 2HE LYS 47 0.878 11.017 -8.739 390 HZ1 LYS 47 3HZ LYS 47 2.319 11.093 -10.737 391 HZ2 LYS 47 1HZ LYS 47 3.600 10.702 -9.836 392 HZ3 LYS 47 2HZ LYS 47 2.844 12.133 -9.570 393 H GLN 48 H GLN 48 2.462 7.940 -2.099 394 HA GLN 48 HA GLN 48 3.857 5.562 -2.958 395 HB2 GLN 48 1HB GLN 48 3.188 6.873 -0.294 396 HB3 GLN 48 2HB GLN 48 3.795 5.241 -0.306 397 HG2 GLN 48 1HG GLN 48 5.402 7.072 -1.982 398 HG3 GLN 48 2HG GLN 48 5.332 7.529 -0.284 399 HE21 GLN 48 1HE2 GLN 48 6.643 6.460 1.118 400 HE22 GLN 48 2HE2 GLN 48 7.582 5.031 0.746 401 H ILE 49 H ILE 49 0.680 6.176 -1.508 402 HA ILE 49 HA ILE 49 0.244 3.495 -0.584 403 HB ILE 49 HB ILE 49 -1.912 5.579 -1.128 404 HG12 ILE 49 1HG1 ILE 49 -0.228 5.483 1.414 405 HG13 ILE 49 2HG1 ILE 49 -0.134 6.721 0.152 406 HG21 ILE 49 1HG2 ILE 49 -2.387 3.129 -0.347 407 HG22 ILE 49 2HG2 ILE 49 -1.734 3.631 1.210 408 HG23 ILE 49 3HG2 ILE 49 -3.172 4.432 0.548 409 HD11 ILE 49 3HD1 ILE 49 -2.645 7.109 0.491 410 HD12 ILE 49 1HD1 ILE 49 -2.452 6.190 1.997 411 HD13 ILE 49 2HD1 ILE 49 -1.530 7.683 1.756 412 H SER 50 H SER 50 -0.850 5.394 -3.495 413 HA SER 50 HA SER 50 -2.414 3.286 -4.643 414 HB2 SER 50 1HB SER 50 -1.833 4.707 -6.782 415 HB3 SER 50 2HB SER 50 -2.870 5.395 -5.520 416 HG SER 50 HG SER 50 -1.089 6.762 -6.283 417 H GLN 51 H GLN 51 1.001 4.329 -5.138 418 HA GLN 51 HA GLN 51 1.708 2.465 -7.067 419 HB2 GLN 51 1HB GLN 51 3.017 4.455 -5.973 420 HB3 GLN 51 2HB GLN 51 3.577 3.271 -4.808 421 HG2 GLN 51 1HG GLN 51 5.269 3.135 -6.366 422 HG3 GLN 51 2HG GLN 51 4.187 1.915 -7.053 423 HE21 GLN 51 1HE2 GLN 51 2.984 2.530 -9.095 424 HE22 GLN 51 2HE2 GLN 51 3.247 4.103 -9.820 425 H ALA 52 H ALA 52 1.873 2.105 -3.493 426 HA ALA 52 HA ALA 52 2.985 -0.517 -3.620 427 HB1 ALA 52 1HB ALA 52 1.469 0.959 -1.417 428 HB2 ALA 52 2HB ALA 52 2.371 -0.554 -1.178 429 HB3 ALA 52 3HB ALA 52 3.228 0.921 -1.646 430 H TYR 53 H TYR 53 -0.401 0.642 -3.313 431 HA TYR 53 HA TYR 53 -1.486 -1.997 -2.988 432 HB2 TYR 53 1HB TYR 53 -2.613 0.357 -2.693 433 HB3 TYR 53 2HB TYR 53 -3.055 0.151 -4.388 434 HD1 TYR 53 2HD TYR 53 -4.312 -2.024 -5.023 435 HD2 TYR 53 1HD TYR 53 -3.588 -0.919 -0.948 436 HE1 TYR 53 2HE TYR 53 -5.975 -3.711 -4.301 437 HE2 TYR 53 1HE TYR 53 -5.317 -2.514 -0.199 438 HH TYR 53 HH TYR 53 -6.897 -4.803 -2.438 439 H GLU 54 H GLU 54 -0.397 -0.163 -5.860 440 HA GLU 54 HA GLU 54 -1.895 -1.582 -7.806 441 HB2 GLU 54 1HB GLU 54 -0.898 0.496 -8.385 442 HB3 GLU 54 2HB GLU 54 0.733 -0.053 -7.976 443 HG2 GLU 54 1HG GLU 54 0.853 -1.525 -9.851 444 HG3 GLU 54 2HG GLU 54 -0.877 -1.382 -10.177 445 H VAL 55 H VAL 55 1.414 -2.225 -6.568 446 HA VAL 55 HA VAL 55 1.910 -4.457 -8.277 447 HB VAL 55 HB VAL 55 2.987 -3.855 -5.499 448 HG11 VAL 55 1HG1 VAL 55 4.065 -5.672 -7.714 449 HG12 VAL 55 2HG1 VAL 55 4.981 -5.199 -6.273 450 HG13 VAL 55 3HG1 VAL 55 3.523 -6.167 -6.098 451 HG21 VAL 55 3HG2 VAL 55 4.933 -2.894 -6.855 452 HG22 VAL 55 1HG2 VAL 55 3.931 -3.046 -8.301 453 HG23 VAL 55 2HG2 VAL 55 3.444 -1.968 -6.974 454 H LEU 56 H LEU 56 -0.026 -4.119 -5.420 455 HA LEU 56 HA LEU 56 -0.427 -7.032 -5.149 456 HB2 LEU 56 1HB LEU 56 -1.476 -4.713 -3.479 457 HB3 LEU 56 2HB LEU 56 -1.556 -6.410 -3.055 458 HG LEU 56 HG LEU 56 1.029 -4.806 -3.329 459 HD11 LEU 56 1HD1 LEU 56 1.139 -4.831 -0.929 460 HD12 LEU 56 2HD1 LEU 56 -0.327 -5.819 -0.810 461 HD13 LEU 56 3HD1 LEU 56 -0.421 -4.154 -1.411 462 HD21 LEU 56 3HD2 LEU 56 2.119 -6.695 -2.251 463 HD22 LEU 56 1HD2 LEU 56 1.394 -7.217 -3.770 464 HD23 LEU 56 2HD2 LEU 56 0.594 -7.611 -2.222 465 H SER 57 H SER 57 -1.910 -4.559 -7.032 466 HA SER 57 HA SER 57 -4.614 -5.380 -6.342 467 HB2 SER 57 1HB SER 57 -5.376 -3.617 -7.684 468 HB3 SER 57 2HB SER 57 -3.971 -3.033 -6.807 469 HG SER 57 HG SER 57 -4.318 -3.558 -9.515 470 H ASP 58 H ASP 58 -2.516 -5.657 -9.171 471 HA ASP 58 HA ASP 58 -4.389 -7.312 -10.728 472 HB2 ASP 58 1HB ASP 58 -2.411 -5.721 -11.520 473 HB3 ASP 58 2HB ASP 58 -1.420 -7.094 -11.150 474 H ALA 59 H ALA 59 -4.414 -9.631 -10.660 475 HA ALA 59 HA ALA 59 -2.892 -10.868 -8.516 476 HB1 ALA 59 1HB ALA 59 -3.905 -12.938 -9.190 477 HB2 ALA 59 2HB ALA 59 -5.141 -11.666 -9.259 478 HB3 ALA 59 3HB ALA 59 -4.377 -12.269 -10.759 479 H LYS 60 H LYS 60 -2.169 -10.156 -11.912 480 HA LYS 60 HA LYS 60 -0.051 -12.138 -12.189 481 HB2 LYS 60 1HB LYS 60 -1.350 -11.099 -14.043 482 HB3 LYS 60 2HB LYS 60 -0.439 -9.588 -13.729 483 HG2 LYS 60 1HG LYS 60 1.682 -10.931 -13.977 484 HG3 LYS 60 2HG LYS 60 0.693 -12.336 -14.451 485 HD2 LYS 60 1HD LYS 60 -0.325 -10.875 -16.252 486 HD3 LYS 60 2HD LYS 60 0.846 -9.620 -15.806 487 HE2 LYS 60 1HE LYS 60 1.969 -10.667 -17.585 488 HE3 LYS 60 2HE LYS 60 2.642 -11.474 -16.164 489 HZ1 LYS 60 3HZ LYS 60 0.712 -13.137 -16.629 490 HZ2 LYS 60 1HZ LYS 60 2.074 -13.208 -17.582 491 HZ3 LYS 60 2HZ LYS 60 0.700 -12.478 -18.109 492 H LYS 61 H LYS 61 -0.269 -8.580 -11.417 493 HA LYS 61 HA LYS 61 2.546 -8.284 -11.041 494 HB2 LYS 61 1HB LYS 61 0.318 -6.686 -9.677 495 HB3 LYS 61 2HB LYS 61 2.041 -6.323 -9.625 496 HG2 LYS 61 1HG LYS 61 1.961 -6.178 -12.181 497 HG3 LYS 61 2HG LYS 61 0.241 -6.193 -12.061 498 HD2 LYS 61 1HD LYS 61 0.599 -3.904 -12.068 499 HD3 LYS 61 2HD LYS 61 0.564 -4.216 -10.355 500 HE2 LYS 61 1HE LYS 61 2.384 -2.702 -10.892 501 HE3 LYS 61 2HE LYS 61 3.062 -4.213 -10.297 502 HZ1 LYS 61 3HZ LYS 61 4.146 -3.259 -12.316 503 HZ2 LYS 61 1HZ LYS 61 2.791 -3.656 -13.189 504 HZ3 LYS 61 2HZ LYS 61 3.699 -4.810 -12.459 505 H ARG 62 H ARG 62 -0.087 -8.952 -8.653 506 HA ARG 62 HA ARG 62 1.786 -9.364 -6.579 507 HB2 ARG 62 1HB ARG 62 -0.733 -9.168 -6.217 508 HB3 ARG 62 2HB ARG 62 -0.810 -10.910 -6.573 509 HG2 ARG 62 1HG ARG 62 1.004 -11.219 -4.795 510 HG3 ARG 62 2HG ARG 62 0.838 -9.519 -4.391 511 HD2 ARG 62 1HD ARG 62 -1.423 -11.563 -4.168 512 HD3 ARG 62 2HD ARG 62 -0.192 -11.268 -2.932 513 HE ARG 62 HE ARG 62 -1.071 -9.348 -2.293 514 HH11 ARG 62 1HH1 ARG 62 -3.005 -10.469 -5.126 515 HH12 ARG 62 2HH1 ARG 62 -4.085 -9.121 -4.964 516 HH21 ARG 62 1HH2 ARG 62 -2.878 -7.930 -1.922 517 HH22 ARG 62 2HH2 ARG 62 -4.150 -7.860 -3.108 518 H GLU 63 H GLU 63 0.626 -11.792 -9.013 519 HA GLU 63 HA GLU 63 1.606 -14.077 -7.795 520 HB2 GLU 63 1HB GLU 63 0.241 -14.276 -9.717 521 HB3 GLU 63 2HB GLU 63 1.354 -13.341 -10.729 522 HG2 GLU 63 1HG GLU 63 2.957 -15.164 -10.697 523 HG3 GLU 63 2HG GLU 63 1.960 -16.077 -9.571 524 H LEU 64 H LEU 64 3.440 -11.794 -9.858 525 HA LEU 64 HA LEU 64 5.864 -13.425 -9.638 526 HB2 LEU 64 1HB LEU 64 5.255 -10.713 -10.862 527 HB3 LEU 64 2HB LEU 64 6.919 -11.279 -10.612 528 HG LEU 64 HG LEU 64 6.513 -13.292 -11.923 529 HD11 LEU 64 1HD1 LEU 64 4.163 -13.645 -11.694 530 HD12 LEU 64 2HD1 LEU 64 4.504 -13.407 -13.404 531 HD13 LEU 64 3HD1 LEU 64 3.782 -12.075 -12.456 532 HD21 LEU 64 3HD2 LEU 64 7.455 -11.296 -12.976 533 HD22 LEU 64 1HD2 LEU 64 5.820 -10.698 -13.357 534 HD23 LEU 64 2HD2 LEU 64 6.431 -12.175 -14.127 535 H TYR 65 H TYR 65 4.629 -10.476 -8.058 536 HA TYR 65 HA TYR 65 6.811 -9.751 -6.408 537 HB2 TYR 65 1HB TYR 65 4.961 -8.327 -6.627 538 HB3 TYR 65 2HB TYR 65 3.828 -9.583 -6.158 539 HD1 TYR 65 1HD TYR 65 6.473 -7.313 -4.873 540 HD2 TYR 65 2HD TYR 65 3.282 -10.052 -3.887 541 HE1 TYR 65 1HE TYR 65 6.423 -6.431 -2.555 542 HE2 TYR 65 2HE TYR 65 3.252 -9.213 -1.571 543 HH TYR 65 HH TYR 65 5.695 -6.813 -0.437 544 H ASP 66 H ASP 66 4.230 -12.110 -5.813 545 HA ASP 66 HA ASP 66 4.695 -12.867 -3.217 546 HB2 ASP 66 1HB ASP 66 2.838 -13.431 -4.808 547 HB3 ASP 66 2HB ASP 66 3.900 -14.589 -5.565 548 H LYS 67 H LYS 67 6.413 -13.983 -6.077 549 HA LYS 67 HA LYS 67 8.314 -15.462 -4.264 550 HB2 LYS 67 1HB LYS 67 8.657 -17.193 -5.725 551 HB3 LYS 67 2HB LYS 67 6.907 -17.040 -5.549 552 HG2 LYS 67 1HG LYS 67 6.799 -15.948 -7.784 553 HG3 LYS 67 2HG LYS 67 8.565 -16.061 -7.927 554 HD2 LYS 67 1HD LYS 67 8.330 -18.588 -7.582 555 HD3 LYS 67 2HD LYS 67 6.587 -18.363 -7.775 556 HE2 LYS 67 1HE LYS 67 7.088 -17.274 -10.023 557 HE3 LYS 67 2HE LYS 67 8.779 -17.708 -9.791 558 HZ1 LYS 67 3HZ LYS 67 7.618 -19.407 -11.107 559 HZ2 LYS 67 1HZ LYS 67 6.493 -19.623 -9.934 560 HZ3 LYS 67 2HZ LYS 67 8.053 -20.066 -9.689 561 H GLY 68 H GLY 68 8.328 -12.645 -5.740 562 HA2 GLY 68 1HA GLY 68 11.155 -12.730 -6.321 563 HA3 GLY 68 2HA GLY 68 10.150 -12.761 -7.789 564 H GLY 69 H GLY 69 8.541 -10.901 -7.917 565 HA2 GLY 69 1HA GLY 69 7.986 -8.648 -7.699 566 HA3 GLY 69 2HA GLY 69 9.081 -8.535 -6.330 567 H GLU 70 H GLU 70 11.078 -9.730 -8.894 568 HA GLU 70 HA GLU 70 11.418 -7.234 -10.232 569 HB2 GLU 70 1HB GLU 70 12.574 -7.154 -7.861 570 HB3 GLU 70 2HB GLU 70 13.775 -8.207 -8.618 571 HG2 GLU 70 1HG GLU 70 14.119 -6.508 -10.420 572 HG3 GLU 70 2HG GLU 70 12.845 -5.509 -9.720 573 H GLN 71 H GLN 71 10.662 -9.961 -10.762 574 HA GLN 71 HA GLN 71 11.000 -11.729 -12.121 575 HB2 GLN 71 1HB GLN 71 11.921 -11.159 -14.399 576 HB3 GLN 71 2HB GLN 71 10.561 -10.195 -13.851 577 HG2 GLN 71 1HG GLN 71 11.988 -8.346 -13.241 578 HG3 GLN 71 2HG GLN 71 13.441 -9.301 -13.586 579 HE21 GLN 71 1HE2 GLN 71 13.961 -9.871 -15.801 580 HE22 GLN 71 2HE2 GLN 71 13.294 -8.921 -17.147 Start of MODEL 14 1 H1 GLY 1 H GLY 1 16.261 3.249 15.749 2 HA2 GLY 1 1HA GLY 1 16.483 2.472 13.438 3 HA3 GLY 1 2HA GLY 1 14.779 2.513 13.935 4 H MET 2 H MET 2 16.883 3.414 11.500 5 HA MET 2 HA MET 2 14.880 5.265 10.346 6 HB2 MET 2 1HB MET 2 17.895 5.575 10.008 7 HB3 MET 2 2HB MET 2 16.620 6.591 9.355 8 HG2 MET 2 1HG MET 2 17.427 7.871 11.076 9 HG3 MET 2 2HG MET 2 16.046 7.108 11.847 10 HE1 MET 2 3HE MET 2 18.553 8.661 13.164 11 HE2 MET 2 1HE MET 2 17.287 8.019 14.221 12 HE3 MET 2 2HE MET 2 18.984 7.656 14.563 13 H VAL 3 H VAL 3 15.561 2.297 10.267 14 HA VAL 3 HA VAL 3 16.188 1.751 7.460 15 HB VAL 3 HB VAL 3 14.718 0.066 9.558 16 HG11 VAL 3 1HG1 VAL 3 14.198 -0.642 7.235 17 HG12 VAL 3 2HG1 VAL 3 15.944 -0.743 6.887 18 HG13 VAL 3 3HG1 VAL 3 15.201 -1.833 8.066 19 HG21 VAL 3 3HG2 VAL 3 17.633 0.074 8.690 20 HG22 VAL 3 1HG2 VAL 3 16.996 0.436 10.316 21 HG23 VAL 3 2HG2 VAL 3 16.877 -1.205 9.671 22 H LYS 4 H LYS 4 14.870 2.668 6.006 23 HA LYS 4 HA LYS 4 11.930 2.541 6.418 24 HB2 LYS 4 1HB LYS 4 13.498 4.630 4.873 25 HB3 LYS 4 2HB LYS 4 11.769 4.628 5.093 26 HG2 LYS 4 1HG LYS 4 13.836 5.011 7.311 27 HG3 LYS 4 2HG LYS 4 13.039 6.317 6.495 28 HD2 LYS 4 1HD LYS 4 11.382 4.240 7.930 29 HD3 LYS 4 2HD LYS 4 12.245 5.479 8.845 30 HE2 LYS 4 1HE LYS 4 9.889 6.116 8.348 31 HE3 LYS 4 2HE LYS 4 11.071 7.274 7.721 32 HZ1 LYS 4 3HZ LYS 4 9.163 6.556 6.210 33 HZ2 LYS 4 1HZ LYS 4 9.961 5.164 6.001 34 HZ3 LYS 4 2HZ LYS 4 10.672 6.599 5.552 35 H GLU 5 H GLU 5 14.005 0.807 5.143 36 HA GLU 5 HA GLU 5 12.806 0.496 2.452 37 HB2 GLU 5 1HB GLU 5 14.349 -1.415 2.196 38 HB3 GLU 5 2HB GLU 5 15.165 0.146 2.310 39 HG2 GLU 5 1HG GLU 5 15.905 -0.270 4.556 40 HG3 GLU 5 2HG GLU 5 14.909 -1.705 4.703 41 H THR 6 H THR 6 11.077 -0.879 2.276 42 HA THR 6 HA THR 6 10.785 -3.189 3.786 43 HB THR 6 HB THR 6 8.338 -1.601 4.322 44 HG1 THR 6 1HG THR 6 10.771 -0.863 5.495 45 HG21 THR 6 3HG2 THR 6 8.645 -2.705 6.531 46 HG22 THR 6 1HG2 THR 6 10.275 -3.204 6.007 47 HG23 THR 6 2HG2 THR 6 8.831 -3.853 5.169 48 H THR 7 H THR 7 8.955 -4.403 2.860 49 HA THR 7 HA THR 7 8.410 -3.722 0.157 50 HB THR 7 HB THR 7 8.626 -5.988 1.179 51 HG1 THR 7 1HG THR 7 8.117 -6.193 -0.706 52 HG21 THR 7 3HG2 THR 7 6.685 -7.130 2.048 53 HG22 THR 7 1HG2 THR 7 5.679 -5.687 1.832 54 HG23 THR 7 2HG2 THR 7 6.983 -5.694 3.062 55 H TYR 8 H TYR 8 6.147 -4.102 -0.542 56 HA TYR 8 HA TYR 8 4.861 -1.573 -0.227 57 HB2 TYR 8 1HB TYR 8 3.868 -4.116 -1.545 58 HB3 TYR 8 2HB TYR 8 3.073 -2.555 -1.725 59 HD1 TYR 8 1HD TYR 8 5.155 -0.611 -2.167 60 HD2 TYR 8 2HD TYR 8 4.925 -4.688 -3.537 61 HE1 TYR 8 1HE TYR 8 6.668 -0.064 -4.037 62 HE2 TYR 8 2HE TYR 8 6.490 -4.153 -5.381 63 HH TYR 8 HH TYR 8 8.205 -1.097 -5.534 64 H TYR 9 H TYR 9 4.124 -4.594 1.390 65 HA TYR 9 HA TYR 9 1.550 -3.935 2.380 66 HB2 TYR 9 1HB TYR 9 3.828 -5.610 3.465 67 HB3 TYR 9 2HB TYR 9 2.344 -5.382 4.372 68 HD1 TYR 9 1HD TYR 9 0.093 -5.867 3.112 69 HD2 TYR 9 2HD TYR 9 3.915 -7.560 2.048 70 HE1 TYR 9 1HE TYR 9 -1.043 -7.842 2.209 71 HE2 TYR 9 2HE TYR 9 2.780 -9.545 1.190 72 HH TYR 9 HH TYR 9 -0.589 -10.159 1.835 73 H ASP 10 H ASP 10 4.827 -3.280 3.780 74 HA ASP 10 HA ASP 10 3.729 -2.342 6.222 75 HB2 ASP 10 1HB ASP 10 6.257 -2.970 5.485 76 HB3 ASP 10 2HB ASP 10 6.380 -1.245 5.296 77 H VAL 11 H VAL 11 4.488 -0.806 3.208 78 HA VAL 11 HA VAL 11 4.438 1.873 3.942 79 HB VAL 11 HB VAL 11 3.476 0.545 1.359 80 HG11 VAL 11 1HG1 VAL 11 2.592 2.775 1.359 81 HG12 VAL 11 2HG1 VAL 11 4.159 3.445 1.877 82 HG13 VAL 11 3HG1 VAL 11 3.970 2.723 0.258 83 HG21 VAL 11 3HG2 VAL 11 5.636 1.003 0.405 84 HG22 VAL 11 1HG2 VAL 11 6.177 1.816 1.887 85 HG23 VAL 11 2HG2 VAL 11 5.877 0.068 1.880 86 H LEU 12 H LEU 12 1.864 -0.419 3.135 87 HA LEU 12 HA LEU 12 -0.215 1.607 3.298 88 HB2 LEU 12 1HB LEU 12 -0.184 -1.353 2.590 89 HB3 LEU 12 2HB LEU 12 -1.678 -0.401 2.615 90 HG LEU 12 HG LEU 12 0.724 0.385 0.903 91 HD11 LEU 12 1HD1 LEU 12 -1.744 -1.149 0.057 92 HD12 LEU 12 2HD1 LEU 12 -0.120 -1.874 0.270 93 HD13 LEU 12 3HD1 LEU 12 -0.412 -0.651 -0.979 94 HD21 LEU 12 3HD2 LEU 12 -0.812 2.213 1.290 95 HD22 LEU 12 1HD2 LEU 12 -2.225 1.189 0.907 96 HD23 LEU 12 2HD2 LEU 12 -1.063 1.605 -0.354 97 H GLY 13 H GLY 13 1.382 0.469 5.732 98 HA2 GLY 13 1HA GLY 13 0.879 0.306 7.981 99 HA3 GLY 13 2HA GLY 13 -0.738 0.945 7.581 100 H VAL 14 H VAL 14 0.473 -2.069 6.145 101 HA VAL 14 HA VAL 14 -1.244 -3.693 7.935 102 HB VAL 14 HB VAL 14 -1.599 -5.174 5.946 103 HG11 VAL 14 1HG1 VAL 14 -3.427 -3.801 6.742 104 HG12 VAL 14 2HG1 VAL 14 -2.829 -2.399 5.838 105 HG13 VAL 14 3HG1 VAL 14 -3.451 -3.830 4.987 106 HG21 VAL 14 3HG2 VAL 14 0.146 -4.180 4.478 107 HG22 VAL 14 1HG2 VAL 14 -1.452 -4.272 3.703 108 HG23 VAL 14 2HG2 VAL 14 -0.843 -2.719 4.311 109 H LYS 15 H LYS 15 -0.351 -5.791 8.407 110 HA LYS 15 HA LYS 15 2.488 -5.784 8.556 111 HB2 LYS 15 1HB LYS 15 2.249 -7.753 9.778 112 HB3 LYS 15 2HB LYS 15 0.855 -6.772 10.226 113 HG2 LYS 15 1HG LYS 15 0.866 -9.035 8.179 114 HG3 LYS 15 2HG LYS 15 0.441 -9.223 9.895 115 HD2 LYS 15 1HD LYS 15 -1.100 -7.463 7.954 116 HD3 LYS 15 2HD LYS 15 -1.423 -9.171 8.177 117 HE2 LYS 15 1HE LYS 15 -1.929 -8.833 10.524 118 HE3 LYS 15 2HE LYS 15 -1.593 -7.102 10.395 119 HZ1 LYS 15 3HZ LYS 15 -3.487 -6.893 8.882 120 HZ2 LYS 15 1HZ LYS 15 -3.982 -7.683 10.198 121 HZ3 LYS 15 2HZ LYS 15 -3.677 -8.541 8.857 122 HA PRO 16 HA PRO 16 3.454 -7.535 4.614 123 HB2 PRO 16 1HB PRO 16 5.666 -9.087 5.059 124 HB3 PRO 16 2HB PRO 16 5.618 -7.293 5.178 125 HG2 PRO 16 1HG PRO 16 5.335 -9.317 7.403 126 HG3 PRO 16 2HG PRO 16 6.444 -7.906 7.338 127 HD2 PRO 16 1HD PRO 16 4.075 -7.782 8.626 128 HD3 PRO 16 2HD PRO 16 4.658 -6.372 7.683 129 H ASN 17 H ASN 17 1.818 -9.325 6.647 130 HA ASN 17 HA ASN 17 1.558 -11.588 4.742 131 HB2 ASN 17 1HB ASN 17 1.526 -11.800 7.771 132 HB3 ASN 17 2HB ASN 17 1.113 -13.112 6.666 133 HD21 ASN 17 1HD2 ASN 17 2.897 -13.948 5.145 134 HD22 ASN 17 2HD2 ASN 17 4.532 -13.686 5.660 135 H ALA 18 H ALA 18 0.063 -8.905 5.285 136 HA ALA 18 HA ALA 18 -2.631 -9.632 6.066 137 HB1 ALA 18 1HB ALA 18 -2.133 -7.318 6.103 138 HB2 ALA 18 2HB ALA 18 -1.448 -7.326 4.470 139 HB3 ALA 18 3HB ALA 18 -3.189 -7.508 4.718 140 H THR 19 H THR 19 -4.521 -9.757 4.664 141 HA THR 19 HA THR 19 -4.109 -11.275 2.222 142 HB THR 19 HB THR 19 -6.786 -11.062 2.551 143 HG1 THR 19 1HG THR 19 -7.366 -10.846 4.620 144 HG21 THR 19 3HG2 THR 19 -5.033 -12.787 4.351 145 HG22 THR 19 1HG2 THR 19 -5.435 -13.176 2.664 146 HG23 THR 19 2HG2 THR 19 -6.714 -13.133 3.887 147 H GLN 20 H GLN 20 -5.187 -10.689 0.252 148 HA GLN 20 HA GLN 20 -5.069 -8.050 -0.675 149 HB2 GLN 20 1HB GLN 20 -6.760 -10.466 -1.446 150 HB3 GLN 20 2HB GLN 20 -6.808 -8.976 -2.383 151 HG2 GLN 20 1HG GLN 20 -4.190 -10.435 -1.817 152 HG3 GLN 20 2HG GLN 20 -5.207 -10.767 -3.210 153 HE21 GLN 20 1HE2 GLN 20 -2.962 -8.403 -1.785 154 HE22 GLN 20 2HE2 GLN 20 -3.107 -7.299 -3.183 155 H GLU 21 H GLU 21 -7.578 -9.500 1.267 156 HA GLU 21 HA GLU 21 -9.635 -7.584 0.528 157 HB2 GLU 21 1HB GLU 21 -9.607 -9.531 2.850 158 HB3 GLU 21 2HB GLU 21 -10.998 -8.870 2.003 159 HG2 GLU 21 1HG GLU 21 -10.293 -10.079 -0.060 160 HG3 GLU 21 2HG GLU 21 -8.930 -10.774 0.807 161 H GLU 22 H GLU 22 -7.312 -8.139 3.163 162 HA GLU 22 HA GLU 22 -8.020 -5.934 4.870 163 HB2 GLU 22 1HB GLU 22 -5.525 -7.651 4.470 164 HB3 GLU 22 2HB GLU 22 -5.519 -6.275 5.538 165 HG2 GLU 22 1HG GLU 22 -7.458 -8.620 5.690 166 HG3 GLU 22 2HG GLU 22 -5.987 -8.444 6.670 167 H LEU 23 H LEU 23 -5.663 -6.280 2.057 168 HA LEU 23 HA LEU 23 -4.674 -3.705 2.116 169 HB2 LEU 23 1HB LEU 23 -5.358 -5.616 -0.125 170 HB3 LEU 23 2HB LEU 23 -4.984 -3.978 -0.541 171 HG LEU 23 HG LEU 23 -3.111 -5.355 -0.818 172 HD11 LEU 23 1HD1 LEU 23 -1.432 -4.072 0.491 173 HD12 LEU 23 2HD1 LEU 23 -2.687 -3.440 1.525 174 HD13 LEU 23 3HD1 LEU 23 -2.691 -3.047 -0.215 175 HD21 LEU 23 3HD2 LEU 23 -1.838 -6.301 0.970 176 HD22 LEU 23 1HD2 LEU 23 -3.393 -7.094 0.748 177 HD23 LEU 23 2HD2 LEU 23 -3.161 -5.972 2.130 178 H LYS 24 H LYS 24 -7.840 -4.731 0.805 179 HA LYS 24 HA LYS 24 -8.505 -2.171 -0.252 180 HB2 LYS 24 1HB LYS 24 -9.591 -4.670 -0.412 181 HB3 LYS 24 2HB LYS 24 -10.745 -3.938 0.692 182 HG2 LYS 24 1HG LYS 24 -11.251 -2.168 -0.911 183 HG3 LYS 24 2HG LYS 24 -9.892 -2.657 -1.935 184 HD2 LYS 24 1HD LYS 24 -10.959 -4.896 -2.236 185 HD3 LYS 24 2HD LYS 24 -12.392 -4.294 -1.393 186 HE2 LYS 24 1HE LYS 24 -12.944 -2.803 -3.125 187 HE3 LYS 24 2HE LYS 24 -11.283 -2.733 -3.726 188 HZ1 LYS 24 3HZ LYS 24 -12.767 -3.990 -5.161 189 HZ2 LYS 24 1HZ LYS 24 -12.954 -5.156 -4.000 190 HZ3 LYS 24 2HZ LYS 24 -11.494 -4.894 -4.649 191 H LYS 25 H LYS 25 -9.458 -3.680 2.900 192 HA LYS 25 HA LYS 25 -10.867 -1.359 3.868 193 HB2 LYS 25 1HB LYS 25 -9.437 -3.611 5.359 194 HB3 LYS 25 2HB LYS 25 -10.362 -2.326 6.130 195 HG2 LYS 25 1HG LYS 25 -12.337 -3.138 4.625 196 HG3 LYS 25 2HG LYS 25 -11.385 -4.629 4.480 197 HD2 LYS 25 1HD LYS 25 -11.189 -4.652 7.008 198 HD3 LYS 25 2HD LYS 25 -12.269 -3.262 7.081 199 HE2 LYS 25 1HE LYS 25 -12.956 -6.061 6.093 200 HE3 LYS 25 2HE LYS 25 -13.422 -5.322 7.632 201 HZ1 LYS 25 3HZ LYS 25 -14.561 -3.589 6.145 202 HZ2 LYS 25 1HZ LYS 25 -15.277 -5.072 6.318 203 HZ3 LYS 25 2HZ LYS 25 -14.427 -4.686 4.959 204 H ALA 26 H ALA 26 -7.392 -2.293 4.079 205 HA ALA 26 HA ALA 26 -6.622 -0.165 5.786 206 HB1 ALA 26 1HB ALA 26 -5.020 -1.693 3.698 207 HB2 ALA 26 2HB ALA 26 -4.349 -0.652 4.970 208 HB3 ALA 26 3HB ALA 26 -5.244 -2.126 5.400 209 H TYR 27 H TYR 27 -6.745 -0.389 2.219 210 HA TYR 27 HA TYR 27 -5.529 2.101 1.689 211 HB2 TYR 27 1HB TYR 27 -5.825 0.520 -0.096 212 HB3 TYR 27 2HB TYR 27 -7.580 0.574 0.043 213 HD1 TYR 27 1HD TYR 27 -4.563 2.455 -0.834 214 HD2 TYR 27 2HD TYR 27 -8.861 2.523 -0.816 215 HE1 TYR 27 1HE TYR 27 -4.520 4.609 -2.126 216 HE2 TYR 27 2HE TYR 27 -8.842 4.617 -2.170 217 HH TYR 27 HH TYR 27 -7.439 6.436 -3.030 218 H ARG 28 H ARG 28 -9.052 1.321 2.108 219 HA ARG 28 HA ARG 28 -9.984 3.983 1.806 220 HB2 ARG 28 1HB ARG 28 -10.974 1.568 3.364 221 HB3 ARG 28 2HB ARG 28 -11.752 3.136 3.539 222 HG2 ARG 28 1HG ARG 28 -13.017 2.104 1.932 223 HG3 ARG 28 2HG ARG 28 -12.033 3.215 1.012 224 HD2 ARG 28 1HD ARG 28 -10.593 1.285 0.345 225 HD3 ARG 28 2HD ARG 28 -11.590 0.216 1.355 226 HE ARG 28 HE ARG 28 -12.475 1.709 -1.079 227 HH11 ARG 28 1HH1 ARG 28 -13.094 -1.046 1.135 228 HH12 ARG 28 2HH1 ARG 28 -14.125 -1.845 -0.027 229 HH21 ARG 28 1HH2 ARG 28 -14.169 0.747 -2.328 230 HH22 ARG 28 2HH2 ARG 28 -14.681 -0.880 -1.960 231 H LYS 29 H LYS 29 -8.835 2.357 4.884 232 HA LYS 29 HA LYS 29 -9.455 4.686 6.421 233 HB2 LYS 29 1HB LYS 29 -8.734 3.479 8.214 234 HB3 LYS 29 2HB LYS 29 -8.911 2.146 7.081 235 HG2 LYS 29 1HG LYS 29 -6.397 2.548 6.558 236 HG3 LYS 29 2HG LYS 29 -6.396 3.557 7.966 237 HD2 LYS 29 1HD LYS 29 -7.225 1.474 9.252 238 HD3 LYS 29 2HD LYS 29 -6.917 0.596 7.718 239 HE2 LYS 29 1HE LYS 29 -4.962 0.358 9.154 240 HE3 LYS 29 2HE LYS 29 -4.571 1.342 7.742 241 HZ1 LYS 29 3HZ LYS 29 -3.604 2.283 9.700 242 HZ2 LYS 29 1HZ LYS 29 -5.014 2.370 10.505 243 HZ3 LYS 29 2HZ LYS 29 -4.779 3.319 9.201 244 H LEU 30 H LEU 30 -6.725 3.922 4.382 245 HA LEU 30 HA LEU 30 -4.962 5.990 5.401 246 HB2 LEU 30 1HB LEU 30 -4.975 3.905 3.262 247 HB3 LEU 30 2HB LEU 30 -4.016 5.313 2.926 248 HG LEU 30 HG LEU 30 -2.417 4.830 4.408 249 HD11 LEU 30 1HD1 LEU 30 -4.388 3.367 6.199 250 HD12 LEU 30 2HD1 LEU 30 -3.616 4.944 6.530 251 HD13 LEU 30 3HD1 LEU 30 -2.645 3.475 6.504 252 HD21 LEU 30 3HD2 LEU 30 -3.576 2.043 4.148 253 HD22 LEU 30 1HD2 LEU 30 -1.890 2.520 4.427 254 HD23 LEU 30 2HD2 LEU 30 -2.664 2.893 2.884 255 H ALA 31 H ALA 31 -6.861 5.635 2.339 256 HA ALA 31 HA ALA 31 -6.226 8.245 1.421 257 HB1 ALA 31 1HB ALA 31 -8.207 7.950 -0.047 258 HB2 ALA 31 2HB ALA 31 -7.157 6.518 -0.028 259 HB3 ALA 31 3HB ALA 31 -8.682 6.518 0.891 260 H LEU 32 H LEU 32 -8.833 7.115 3.597 261 HA LEU 32 HA LEU 32 -10.125 9.649 3.875 262 HB2 LEU 32 1HB LEU 32 -9.980 7.181 5.637 263 HB3 LEU 32 2HB LEU 32 -10.976 8.558 6.044 264 HG LEU 32 HG LEU 32 -11.285 7.105 3.389 265 HD11 LEU 32 1HD1 LEU 32 -11.676 5.502 5.225 266 HD12 LEU 32 2HD1 LEU 32 -13.175 5.902 4.357 267 HD13 LEU 32 3HD1 LEU 32 -12.850 6.623 5.953 268 HD21 LEU 32 3HD2 LEU 32 -12.255 9.379 3.486 269 HD22 LEU 32 1HD2 LEU 32 -13.171 8.932 4.944 270 HD23 LEU 32 2HD2 LEU 32 -13.508 8.144 3.383 271 H LYS 33 H LYS 33 -7.036 8.672 5.057 272 HA LYS 33 HA LYS 33 -7.056 10.587 7.334 273 HB2 LYS 33 1HB LYS 33 -6.345 8.394 7.973 274 HB3 LYS 33 2HB LYS 33 -5.274 8.217 6.603 275 HG2 LYS 33 1HG LYS 33 -3.753 9.907 7.479 276 HG3 LYS 33 2HG LYS 33 -4.863 10.254 8.829 277 HD2 LYS 33 1HD LYS 33 -4.491 8.080 9.786 278 HD3 LYS 33 2HD LYS 33 -3.726 7.478 8.320 279 HE2 LYS 33 1HE LYS 33 -2.085 7.849 10.083 280 HE3 LYS 33 2HE LYS 33 -1.776 8.859 8.657 281 HZ1 LYS 33 3HZ LYS 33 -1.522 9.986 10.800 282 HZ2 LYS 33 1HZ LYS 33 -3.135 9.900 11.042 283 HZ3 LYS 33 2HZ LYS 33 -2.544 10.778 9.772 284 H TYR 34 H TYR 34 -4.898 9.577 4.646 285 HA TYR 34 HA TYR 34 -3.228 11.943 4.861 286 HB2 TYR 34 1HB TYR 34 -3.259 9.687 2.830 287 HB3 TYR 34 2HB TYR 34 -2.023 10.878 2.987 288 HD1 TYR 34 2HD TYR 34 -0.547 10.986 4.982 289 HD2 TYR 34 1HD TYR 34 -3.209 7.678 4.260 290 HE1 TYR 34 2HE TYR 34 0.798 9.564 6.496 291 HE2 TYR 34 1HE TYR 34 -1.943 6.309 5.825 292 HH TYR 34 HH TYR 34 0.878 7.494 7.657 293 H HIS 35 H HIS 35 -6.226 12.273 3.908 294 HA HIS 35 HA HIS 35 -6.147 12.432 1.092 295 HB2 HIS 35 1HB HIS 35 -8.126 12.357 2.904 296 HB3 HIS 35 2HB HIS 35 -8.077 14.111 2.731 297 HD1 HIS 35 1HD HIS 35 -9.980 14.774 0.976 298 HD2 HIS 35 2HD HIS 35 -8.118 11.062 0.240 299 HE1 HIS 35 1HE HIS 35 -10.905 13.945 -1.183 300 HA PRO 36 HA PRO 36 -3.872 16.143 0.624 301 HB2 PRO 36 1HB PRO 36 -4.784 17.133 -1.823 302 HB3 PRO 36 2HB PRO 36 -3.627 15.805 -1.609 303 HG2 PRO 36 1HG PRO 36 -6.617 15.628 -2.075 304 HG3 PRO 36 2HG PRO 36 -5.291 14.665 -2.854 305 HD2 PRO 36 1HD PRO 36 -6.739 13.664 -0.816 306 HD3 PRO 36 2HD PRO 36 -4.974 13.376 -0.861 307 H ASP 37 H ASP 37 -7.323 16.478 0.152 308 HA ASP 37 HA ASP 37 -7.812 19.207 0.312 309 HB2 ASP 37 1HB ASP 37 -9.497 17.487 -0.131 310 HB3 ASP 37 2HB ASP 37 -9.287 16.815 1.490 311 H LYS 38 H LYS 38 -7.184 16.936 3.003 312 HA LYS 38 HA LYS 38 -7.237 19.236 4.928 313 HB2 LYS 38 1HB LYS 38 -8.278 16.400 5.332 314 HB3 LYS 38 2HB LYS 38 -8.106 17.618 6.576 315 HG2 LYS 38 1HG LYS 38 -9.510 18.993 4.593 316 HG3 LYS 38 2HG LYS 38 -10.190 17.373 4.495 317 HD2 LYS 38 1HD LYS 38 -10.926 17.466 6.801 318 HD3 LYS 38 2HD LYS 38 -9.914 18.883 7.126 319 HE2 LYS 38 1HE LYS 38 -11.309 19.998 5.176 320 HE3 LYS 38 2HE LYS 38 -12.460 18.700 5.525 321 HZ1 LYS 38 3HZ LYS 38 -11.636 20.956 7.204 322 HZ2 LYS 38 1HZ LYS 38 -12.155 19.588 7.955 323 HZ3 LYS 38 2HZ LYS 38 -13.135 20.394 6.877 324 H ASN 39 H ASN 39 -5.131 17.109 3.475 325 HA ASN 39 HA ASN 39 -3.208 17.621 5.637 326 HB2 ASN 39 1HB ASN 39 -4.196 15.325 5.948 327 HB3 ASN 39 2HB ASN 39 -3.458 14.858 4.411 328 HD21 ASN 39 1HD2 ASN 39 -2.820 13.656 6.953 329 HD22 ASN 39 2HD2 ASN 39 -1.130 14.046 7.274 330 HA PRO 40 HA PRO 40 -1.823 18.577 1.239 331 HB2 PRO 40 1HB PRO 40 -0.530 20.955 2.052 332 HB3 PRO 40 2HB PRO 40 -2.175 20.850 1.310 333 HG2 PRO 40 1HG PRO 40 -1.373 21.215 4.175 334 HG3 PRO 40 2HG PRO 40 -2.823 21.809 3.294 335 HD2 PRO 40 1HD PRO 40 -2.772 19.665 5.045 336 HD3 PRO 40 2HD PRO 40 -3.990 19.842 3.746 337 H ASN 41 H ASN 41 -0.387 18.650 4.454 338 HA ASN 41 HA ASN 41 2.321 18.911 3.812 339 HB2 ASN 41 1HB ASN 41 1.219 17.311 6.163 340 HB3 ASN 41 2HB ASN 41 2.700 18.264 6.080 341 HD21 ASN 41 1HD2 ASN 41 2.552 20.574 6.405 342 HD22 ASN 41 2HD2 ASN 41 1.121 21.189 7.196 343 H GLU 42 H GLU 42 0.132 16.136 3.655 344 HA GLU 42 HA GLU 42 2.408 14.305 3.063 345 HB2 GLU 42 1HB GLU 42 -0.254 13.728 4.412 346 HB3 GLU 42 2HB GLU 42 0.957 12.529 3.990 347 HG2 GLU 42 1HG GLU 42 2.638 13.676 5.418 348 HG3 GLU 42 2HG GLU 42 1.408 14.852 5.907 349 H GLY 43 H GLY 43 0.564 16.153 1.323 350 HA2 GLY 43 1HA GLY 43 -1.104 14.483 -0.237 351 HA3 GLY 43 2HA GLY 43 -0.444 16.053 -0.731 352 H GLU 44 H GLU 44 2.430 15.167 -0.538 353 HA GLU 44 HA GLU 44 2.722 13.673 -3.044 354 HB2 GLU 44 1HB GLU 44 4.576 14.952 -1.134 355 HB3 GLU 44 2HB GLU 44 5.096 13.365 -1.639 356 HG2 GLU 44 1HG GLU 44 4.702 14.073 -4.058 357 HG3 GLU 44 2HG GLU 44 4.533 15.725 -3.451 358 H LYS 45 H LYS 45 3.032 12.863 0.443 359 HA LYS 45 HA LYS 45 3.901 10.227 0.213 360 HB2 LYS 45 1HB LYS 45 3.414 11.791 2.302 361 HB3 LYS 45 2HB LYS 45 1.848 11.005 2.285 362 HG2 LYS 45 1HG LYS 45 3.058 8.769 2.320 363 HG3 LYS 45 2HG LYS 45 4.567 9.656 2.579 364 HD2 LYS 45 1HD LYS 45 2.058 9.824 4.346 365 HD3 LYS 45 2HD LYS 45 3.466 8.784 4.656 366 HE2 LYS 45 1HE LYS 45 4.868 11.015 4.461 367 HE3 LYS 45 2HE LYS 45 3.290 11.805 4.688 368 HZ1 LYS 45 3HZ LYS 45 4.440 9.874 6.584 369 HZ2 LYS 45 1HZ LYS 45 3.029 10.763 6.727 370 HZ3 LYS 45 2HZ LYS 45 4.436 11.546 6.757 371 H PHE 46 H PHE 46 0.668 11.431 -0.356 372 HA PHE 46 HA PHE 46 -0.835 9.059 -0.349 373 HB2 PHE 46 1HB PHE 46 -1.304 11.566 -1.176 374 HB3 PHE 46 2HB PHE 46 -1.039 10.889 -2.747 375 HD1 PHE 46 2HD PHE 46 -2.352 8.578 -3.228 376 HD2 PHE 46 1HD PHE 46 -3.459 11.432 -0.190 377 HE1 PHE 46 2HE PHE 46 -4.652 7.680 -3.221 378 HE2 PHE 46 1HE PHE 46 -5.757 10.498 -0.160 379 HZ PHE 46 HZ PHE 46 -6.360 8.626 -1.685 380 H LYS 47 H LYS 47 1.563 10.152 -2.720 381 HA LYS 47 HA LYS 47 1.208 8.316 -4.722 382 HB2 LYS 47 1HB LYS 47 2.820 10.400 -4.464 383 HB3 LYS 47 2HB LYS 47 4.002 9.201 -3.931 384 HG2 LYS 47 1HG LYS 47 3.509 7.989 -6.145 385 HG3 LYS 47 2HG LYS 47 2.445 9.368 -6.528 386 HD2 LYS 47 1HD LYS 47 4.577 10.824 -5.959 387 HD3 LYS 47 2HD LYS 47 5.451 9.291 -6.218 388 HE2 LYS 47 1HE LYS 47 4.196 9.164 -8.467 389 HE3 LYS 47 2HE LYS 47 3.653 10.819 -8.155 390 HZ1 LYS 47 3HZ LYS 47 5.630 10.969 -9.420 391 HZ2 LYS 47 1HZ LYS 47 6.415 9.850 -8.488 392 HZ3 LYS 47 2HZ LYS 47 6.111 11.310 -7.862 393 H GLN 48 H GLN 48 2.855 7.837 -1.603 394 HA GLN 48 HA GLN 48 4.231 5.378 -2.302 395 HB2 GLN 48 1HB GLN 48 3.447 6.818 0.252 396 HB3 GLN 48 2HB GLN 48 3.868 5.134 0.358 397 HG2 GLN 48 1HG GLN 48 5.726 7.031 -1.077 398 HG3 GLN 48 2HG GLN 48 5.672 7.011 0.673 399 HE21 GLN 48 1HE2 GLN 48 6.522 5.169 1.872 400 HE22 GLN 48 2HE2 GLN 48 7.483 3.982 0.985 401 H ILE 49 H ILE 49 0.912 6.233 -1.371 402 HA ILE 49 HA ILE 49 0.133 3.620 -0.477 403 HB ILE 49 HB ILE 49 -1.677 5.969 -1.242 404 HG12 ILE 49 1HG1 ILE 49 -0.209 5.553 1.394 405 HG13 ILE 49 2HG1 ILE 49 0.008 6.880 0.270 406 HG21 ILE 49 1HG2 ILE 49 -2.127 3.996 0.994 407 HG22 ILE 49 2HG2 ILE 49 -3.300 5.041 0.178 408 HG23 ILE 49 3HG2 ILE 49 -2.631 3.639 -0.675 409 HD11 ILE 49 3HD1 ILE 49 -2.364 6.394 2.056 410 HD12 ILE 49 1HD1 ILE 49 -1.267 7.764 2.015 411 HD13 ILE 49 2HD1 ILE 49 -2.422 7.522 0.687 412 H SER 50 H SER 50 -0.441 5.643 -3.463 413 HA SER 50 HA SER 50 -1.902 3.682 -4.906 414 HB2 SER 50 1HB SER 50 -0.801 5.170 -6.847 415 HB3 SER 50 2HB SER 50 -2.135 5.773 -5.847 416 HG SER 50 HG SER 50 -0.149 7.166 -6.044 417 H GLN 51 H GLN 51 1.619 4.592 -5.093 418 HA GLN 51 HA GLN 51 2.346 2.696 -6.985 419 HB2 GLN 51 1HB GLN 51 3.550 4.741 -6.069 420 HB3 GLN 51 2HB GLN 51 4.002 3.784 -4.652 421 HG2 GLN 51 1HG GLN 51 5.852 3.926 -6.154 422 HG3 GLN 51 2HG GLN 51 5.270 2.284 -6.120 423 HE21 GLN 51 1HE2 GLN 51 5.708 1.482 -8.182 424 HE22 GLN 51 2HE2 GLN 51 5.298 2.311 -9.665 425 H ALA 52 H ALA 52 1.698 2.172 -3.602 426 HA ALA 52 HA ALA 52 2.968 -0.486 -3.565 427 HB1 ALA 52 1HB ALA 52 1.308 1.028 -1.484 428 HB2 ALA 52 2HB ALA 52 1.987 -0.594 -1.240 429 HB3 ALA 52 3HB ALA 52 3.070 0.786 -1.456 430 H TYR 53 H TYR 53 -0.380 0.852 -3.347 431 HA TYR 53 HA TYR 53 -1.602 -1.719 -3.282 432 HB2 TYR 53 1HB TYR 53 -2.611 0.480 -2.603 433 HB3 TYR 53 2HB TYR 53 -2.789 0.859 -4.310 434 HD1 TYR 53 2HD TYR 53 -3.939 -1.316 -1.519 435 HD2 TYR 53 1HD TYR 53 -4.496 -0.316 -5.689 436 HE1 TYR 53 2HE TYR 53 -6.151 -2.417 -1.492 437 HE2 TYR 53 1HE TYR 53 -6.691 -1.473 -5.674 438 HH TYR 53 HH TYR 53 -7.816 -3.458 -3.062 439 H GLU 54 H GLU 54 -0.280 0.150 -5.957 440 HA GLU 54 HA GLU 54 -1.800 -0.971 -8.108 441 HB2 GLU 54 1HB GLU 54 -0.450 1.084 -8.285 442 HB3 GLU 54 2HB GLU 54 1.014 0.176 -7.959 443 HG2 GLU 54 1HG GLU 54 0.964 0.619 -10.292 444 HG3 GLU 54 2HG GLU 54 0.706 -1.101 -10.097 445 H VAL 55 H VAL 55 1.180 -2.083 -6.454 446 HA VAL 55 HA VAL 55 1.547 -4.330 -8.306 447 HB VAL 55 HB VAL 55 2.791 -3.666 -5.613 448 HG11 VAL 55 1HG1 VAL 55 3.485 -5.812 -7.651 449 HG12 VAL 55 2HG1 VAL 55 4.586 -5.289 -6.354 450 HG13 VAL 55 3HG1 VAL 55 3.037 -6.043 -5.947 451 HG21 VAL 55 3HG2 VAL 55 3.366 -1.987 -7.290 452 HG22 VAL 55 1HG2 VAL 55 4.765 -3.049 -7.077 453 HG23 VAL 55 2HG2 VAL 55 3.702 -3.255 -8.485 454 H LEU 56 H LEU 56 -0.222 -3.661 -5.418 455 HA LEU 56 HA LEU 56 -0.705 -6.541 -4.857 456 HB2 LEU 56 1HB LEU 56 -1.230 -4.038 -3.202 457 HB3 LEU 56 2HB LEU 56 -1.544 -5.683 -2.670 458 HG LEU 56 HG LEU 56 1.220 -4.593 -3.351 459 HD11 LEU 56 1HD1 LEU 56 1.622 -4.675 -0.944 460 HD12 LEU 56 2HD1 LEU 56 -0.007 -5.296 -0.659 461 HD13 LEU 56 3HD1 LEU 56 0.232 -3.636 -1.282 462 HD21 LEU 56 3HD2 LEU 56 1.204 -6.987 -3.746 463 HD22 LEU 56 1HD2 LEU 56 0.321 -7.292 -2.218 464 HD23 LEU 56 2HD2 LEU 56 1.983 -6.681 -2.194 465 H SER 57 H SER 57 -2.226 -4.535 -6.988 466 HA SER 57 HA SER 57 -4.910 -4.623 -5.917 467 HB2 SER 57 1HB SER 57 -5.409 -3.674 -8.190 468 HB3 SER 57 2HB SER 57 -4.196 -2.763 -7.280 469 HG SER 57 HG SER 57 -3.681 -3.260 -9.550 470 H ASP 58 H ASP 58 -2.976 -6.674 -7.950 471 HA ASP 58 HA ASP 58 -5.336 -7.969 -9.221 472 HB2 ASP 58 1HB ASP 58 -3.801 -6.252 -10.493 473 HB3 ASP 58 2HB ASP 58 -2.598 -7.496 -10.453 474 H ALA 59 H ALA 59 -5.217 -10.258 -9.488 475 HA ALA 59 HA ALA 59 -3.429 -11.670 -7.770 476 HB1 ALA 59 1HB ALA 59 -5.653 -12.546 -8.430 477 HB2 ALA 59 2HB ALA 59 -5.054 -12.748 -10.095 478 HB3 ALA 59 3HB ALA 59 -4.337 -13.692 -8.777 479 H LYS 60 H LYS 60 -3.124 -10.656 -11.170 480 HA LYS 60 HA LYS 60 -1.019 -12.588 -11.743 481 HB2 LYS 60 1HB LYS 60 -2.732 -10.889 -13.249 482 HB3 LYS 60 2HB LYS 60 -1.129 -10.242 -13.531 483 HG2 LYS 60 1HG LYS 60 -1.972 -13.149 -13.878 484 HG3 LYS 60 2HG LYS 60 -1.866 -11.955 -15.174 485 HD2 LYS 60 1HD LYS 60 0.539 -11.794 -14.972 486 HD3 LYS 60 2HD LYS 60 0.540 -12.736 -13.473 487 HE2 LYS 60 1HE LYS 60 1.216 -14.229 -15.212 488 HE3 LYS 60 2HE LYS 60 -0.404 -14.685 -14.710 489 HZ1 LYS 60 3HZ LYS 60 -1.250 -13.485 -16.634 490 HZ2 LYS 60 1HZ LYS 60 -0.288 -14.723 -17.043 491 HZ3 LYS 60 2HZ LYS 60 0.285 -13.157 -17.149 492 H LYS 61 H LYS 61 -1.185 -9.058 -11.047 493 HA LYS 61 HA LYS 61 1.718 -8.724 -10.978 494 HB2 LYS 61 1HB LYS 61 -0.452 -7.124 -9.520 495 HB3 LYS 61 2HB LYS 61 1.264 -6.826 -9.388 496 HG2 LYS 61 1HG LYS 61 0.902 -6.932 -12.148 497 HG3 LYS 61 2HG LYS 61 -0.579 -6.175 -11.574 498 HD2 LYS 61 1HD LYS 61 1.019 -4.444 -12.116 499 HD3 LYS 61 2HD LYS 61 0.674 -4.455 -10.396 500 HE2 LYS 61 1HE LYS 61 3.028 -4.051 -10.747 501 HE3 LYS 61 2HE LYS 61 2.849 -5.598 -9.936 502 HZ1 LYS 61 3HZ LYS 61 4.475 -5.512 -11.773 503 HZ2 LYS 61 1HZ LYS 61 3.248 -5.335 -12.845 504 HZ3 LYS 61 2HZ LYS 61 3.392 -6.722 -11.966 505 H ARG 62 H ARG 62 -0.658 -9.324 -8.335 506 HA ARG 62 HA ARG 62 1.342 -9.406 -6.425 507 HB2 ARG 62 1HB ARG 62 -1.251 -9.389 -6.113 508 HB3 ARG 62 2HB ARG 62 -1.067 -11.149 -5.980 509 HG2 ARG 62 1HG ARG 62 0.805 -10.657 -4.255 510 HG3 ARG 62 2HG ARG 62 0.304 -8.966 -4.370 511 HD2 ARG 62 1HD ARG 62 -0.907 -9.555 -2.576 512 HD3 ARG 62 2HD ARG 62 -2.099 -10.023 -3.819 513 HE ARG 62 HE ARG 62 -0.250 -11.733 -2.246 514 HH11 ARG 62 1HH1 ARG 62 -3.033 -11.720 -4.621 515 HH12 ARG 62 2HH1 ARG 62 -3.244 -13.405 -4.476 516 HH21 ARG 62 1HH2 ARG 62 -0.588 -13.977 -2.203 517 HH22 ARG 62 2HH2 ARG 62 -1.531 -14.707 -3.447 518 H GLU 63 H GLU 63 0.326 -12.135 -8.511 519 HA GLU 63 HA GLU 63 1.569 -14.217 -7.077 520 HB2 GLU 63 1HB GLU 63 0.012 -14.414 -9.041 521 HB3 GLU 63 2HB GLU 63 1.299 -13.879 -10.109 522 HG2 GLU 63 1HG GLU 63 1.008 -16.302 -10.184 523 HG3 GLU 63 2HG GLU 63 2.603 -15.885 -9.545 524 H LEU 64 H LEU 64 2.929 -11.820 -9.306 525 HA LEU 64 HA LEU 64 5.562 -13.147 -9.332 526 HB2 LEU 64 1HB LEU 64 4.329 -10.754 -10.746 527 HB3 LEU 64 2HB LEU 64 6.074 -10.907 -10.658 528 HG LEU 64 HG LEU 64 5.268 -11.809 -12.750 529 HD11 LEU 64 1HD1 LEU 64 7.176 -12.993 -11.353 530 HD12 LEU 64 2HD1 LEU 64 6.539 -13.737 -12.830 531 HD13 LEU 64 3HD1 LEU 64 6.026 -14.310 -11.215 532 HD21 LEU 64 3HD2 LEU 64 3.859 -13.796 -12.875 533 HD22 LEU 64 1HD2 LEU 64 3.019 -12.516 -11.972 534 HD23 LEU 64 2HD2 LEU 64 3.762 -13.885 -11.113 535 H TYR 65 H TYR 65 3.972 -10.467 -7.761 536 HA TYR 65 HA TYR 65 6.215 -9.274 -6.433 537 HB2 TYR 65 1HB TYR 65 4.176 -8.103 -6.481 538 HB3 TYR 65 2HB TYR 65 3.288 -9.467 -5.863 539 HD1 TYR 65 1HD TYR 65 6.018 -7.112 -4.849 540 HD2 TYR 65 2HD TYR 65 2.830 -9.752 -3.583 541 HE1 TYR 65 1HE TYR 65 6.335 -6.376 -2.522 542 HE2 TYR 65 2HE TYR 65 3.075 -8.967 -1.266 543 HH TYR 65 HH TYR 65 5.771 -6.782 -0.322 544 H ASP 66 H ASP 66 4.068 -11.991 -5.558 545 HA ASP 66 HA ASP 66 4.834 -12.332 -2.952 546 HB2 ASP 66 1HB ASP 66 3.027 -13.512 -4.466 547 HB3 ASP 66 2HB ASP 66 4.263 -14.741 -4.704 548 H LYS 67 H LYS 67 6.596 -13.270 -5.797 549 HA LYS 67 HA LYS 67 8.935 -13.990 -4.121 550 HB2 LYS 67 1HB LYS 67 9.468 -15.893 -5.494 551 HB3 LYS 67 2HB LYS 67 7.871 -16.098 -4.782 552 HG2 LYS 67 1HG LYS 67 6.771 -15.566 -6.899 553 HG3 LYS 67 2HG LYS 67 8.301 -15.071 -7.622 554 HD2 LYS 67 1HD LYS 67 9.000 -17.591 -6.922 555 HD3 LYS 67 2HD LYS 67 7.250 -17.827 -7.120 556 HE2 LYS 67 1HE LYS 67 7.407 -16.786 -9.396 557 HE3 LYS 67 2HE LYS 67 9.129 -16.506 -9.112 558 HZ1 LYS 67 3HZ LYS 67 9.246 -19.033 -8.824 559 HZ2 LYS 67 1HZ LYS 67 9.054 -18.429 -10.370 560 HZ3 LYS 67 2HZ LYS 67 7.793 -19.087 -9.531 561 H GLY 68 H GLY 68 8.335 -11.447 -5.446 562 HA2 GLY 68 1HA GLY 68 10.823 -10.943 -6.619 563 HA3 GLY 68 2HA GLY 68 9.717 -11.269 -7.958 564 H GLY 69 H GLY 69 7.814 -9.802 -8.230 565 HA2 GLY 69 1HA GLY 69 6.682 -7.800 -8.084 566 HA3 GLY 69 2HA GLY 69 7.706 -7.323 -6.696 567 H GLU 70 H GLU 70 9.855 -8.173 -8.949 568 HA GLU 70 HA GLU 70 10.120 -5.529 -10.257 569 HB2 GLU 70 1HB GLU 70 12.464 -5.899 -10.079 570 HB3 GLU 70 2HB GLU 70 11.631 -5.828 -8.499 571 HG2 GLU 70 1HG GLU 70 11.717 -8.430 -8.521 572 HG3 GLU 70 2HG GLU 70 12.886 -8.230 -9.855 573 H GLN 71 H GLN 71 8.748 -7.873 -11.019 574 HA GLN 71 HA GLN 71 9.335 -7.871 -13.803 575 HB2 GLN 71 1HB GLN 71 9.163 -10.248 -14.207 576 HB3 GLN 71 2HB GLN 71 10.492 -9.949 -13.084 577 HG2 GLN 71 1HG GLN 71 8.359 -10.362 -11.347 578 HG3 GLN 71 2HG GLN 71 7.965 -11.397 -12.687 579 HE21 GLN 71 1HE2 GLN 71 8.947 -11.767 -9.829 580 HE22 GLN 71 2HE2 GLN 71 10.324 -12.833 -9.876 Start of MODEL 15 1 H1 GLY 1 H GLY 1 15.046 6.123 16.109 2 HA2 GLY 1 1HA GLY 1 16.429 4.242 15.485 3 HA3 GLY 1 2HA GLY 1 14.951 3.341 15.108 4 H MET 2 H MET 2 16.179 3.036 13.019 5 HA MET 2 HA MET 2 15.644 5.293 11.140 6 HB2 MET 2 1HB MET 2 17.737 4.980 10.096 7 HB3 MET 2 2HB MET 2 17.992 5.141 11.832 8 HG2 MET 2 1HG MET 2 17.732 2.375 11.494 9 HG3 MET 2 2HG MET 2 18.565 2.880 10.028 10 HE1 MET 2 3HE MET 2 20.189 5.470 11.177 11 HE2 MET 2 1HE MET 2 21.742 4.699 11.528 12 HE3 MET 2 2HE MET 2 20.851 4.266 10.055 13 H VAL 3 H VAL 3 14.214 2.607 11.717 14 HA VAL 3 HA VAL 3 14.318 1.251 9.123 15 HB VAL 3 HB VAL 3 13.869 -0.164 10.874 16 HG11 VAL 3 1HG1 VAL 3 12.094 0.019 12.543 17 HG12 VAL 3 2HG1 VAL 3 13.246 1.331 12.704 18 HG13 VAL 3 3HG1 VAL 3 11.664 1.628 11.936 19 HG21 VAL 3 3HG2 VAL 3 12.403 -0.500 8.887 20 HG22 VAL 3 1HG2 VAL 3 11.758 -1.178 10.392 21 HG23 VAL 3 2HG2 VAL 3 11.107 0.340 9.764 22 H LYS 4 H LYS 4 13.871 2.642 7.496 23 HA LYS 4 HA LYS 4 11.017 3.270 7.315 24 HB2 LYS 4 1HB LYS 4 11.361 5.395 6.212 25 HB3 LYS 4 2HB LYS 4 11.897 5.424 7.875 26 HG2 LYS 4 1HG LYS 4 13.892 4.947 5.666 27 HG3 LYS 4 2HG LYS 4 13.292 6.564 5.978 28 HD2 LYS 4 1HD LYS 4 14.097 5.283 8.487 29 HD3 LYS 4 2HD LYS 4 15.419 5.247 7.316 30 HE2 LYS 4 1HE LYS 4 13.837 7.740 8.072 31 HE3 LYS 4 2HE LYS 4 15.353 7.253 8.853 32 HZ1 LYS 4 3HZ LYS 4 16.457 7.420 6.750 33 HZ2 LYS 4 1HZ LYS 4 15.661 8.857 7.068 34 HZ3 LYS 4 2HZ LYS 4 15.053 7.810 5.974 35 H GLU 5 H GLU 5 12.601 1.018 6.363 36 HA GLU 5 HA GLU 5 11.866 1.317 3.544 37 HB2 GLU 5 1HB GLU 5 13.656 -0.122 2.791 38 HB3 GLU 5 2HB GLU 5 14.248 1.420 3.400 39 HG2 GLU 5 1HG GLU 5 15.001 0.309 5.488 40 HG3 GLU 5 2HG GLU 5 14.373 -1.229 4.902 41 H THR 6 H THR 6 10.270 -0.090 3.134 42 HA THR 6 HA THR 6 10.491 -2.793 4.051 43 HB THR 6 HB THR 6 7.725 -2.082 4.480 44 HG1 THR 6 1HG THR 6 9.511 -0.563 6.046 45 HG21 THR 6 3HG2 THR 6 8.634 -4.050 5.412 46 HG22 THR 6 1HG2 THR 6 8.253 -3.007 6.794 47 HG23 THR 6 2HG2 THR 6 9.932 -3.151 6.261 48 H THR 7 H THR 7 8.756 -4.094 2.938 49 HA THR 7 HA THR 7 8.260 -3.105 0.262 50 HB THR 7 HB THR 7 8.799 -5.478 0.883 51 HG1 THR 7 1HG THR 7 8.028 -4.990 -1.088 52 HG21 THR 7 3HG2 THR 7 5.902 -5.646 1.715 53 HG22 THR 7 1HG2 THR 7 7.285 -5.727 2.836 54 HG23 THR 7 2HG2 THR 7 7.054 -6.990 1.603 55 H TYR 8 H TYR 8 6.006 -3.748 -0.463 56 HA TYR 8 HA TYR 8 4.372 -1.522 0.092 57 HB2 TYR 8 1HB TYR 8 3.887 -4.104 -1.425 58 HB3 TYR 8 2HB TYR 8 2.859 -2.721 -1.571 59 HD1 TYR 8 1HD TYR 8 5.651 -0.829 -1.298 60 HD2 TYR 8 2HD TYR 8 4.204 -3.978 -3.926 61 HE1 TYR 8 1HE TYR 8 7.013 0.078 -3.100 62 HE2 TYR 8 2HE TYR 8 5.611 -3.059 -5.757 63 HH TYR 8 HH TYR 8 7.147 -1.367 -6.358 64 H TYR 9 H TYR 9 4.347 -4.482 1.784 65 HA TYR 9 HA TYR 9 1.662 -4.317 2.793 66 HB2 TYR 9 1HB TYR 9 4.209 -5.723 3.675 67 HB3 TYR 9 2HB TYR 9 2.683 -5.854 4.563 68 HD1 TYR 9 2HD TYR 9 0.545 -6.354 3.069 69 HD2 TYR 9 1HD TYR 9 4.579 -7.445 2.001 70 HE1 TYR 9 2HE TYR 9 -0.306 -7.966 1.438 71 HE2 TYR 9 1HE TYR 9 3.730 -9.020 0.353 72 HH TYR 9 HH TYR 9 1.781 -10.043 -0.614 73 H ASP 10 H ASP 10 4.799 -3.502 4.461 74 HA ASP 10 HA ASP 10 3.399 -2.226 6.593 75 HB2 ASP 10 1HB ASP 10 6.122 -2.833 5.972 76 HB3 ASP 10 2HB ASP 10 6.058 -1.142 6.384 77 H VAL 11 H VAL 11 4.366 -1.007 3.442 78 HA VAL 11 HA VAL 11 4.268 1.796 3.965 79 HB VAL 11 HB VAL 11 3.474 0.165 1.510 80 HG11 VAL 11 1HG1 VAL 11 3.741 3.189 1.785 81 HG12 VAL 11 2HG1 VAL 11 3.697 2.330 0.240 82 HG13 VAL 11 3HG1 VAL 11 2.293 2.265 1.297 83 HG21 VAL 11 3HG2 VAL 11 5.946 1.884 1.941 84 HG22 VAL 11 1HG2 VAL 11 5.928 0.125 2.130 85 HG23 VAL 11 2HG2 VAL 11 5.591 0.854 0.556 86 H LEU 12 H LEU 12 1.730 -0.631 3.367 87 HA LEU 12 HA LEU 12 -0.406 1.366 3.636 88 HB2 LEU 12 1HB LEU 12 -0.395 -1.645 3.162 89 HB3 LEU 12 2HB LEU 12 -1.848 -0.642 3.140 90 HG LEU 12 HG LEU 12 0.529 -0.206 1.246 91 HD11 LEU 12 1HD1 LEU 12 -2.095 -1.647 0.755 92 HD12 LEU 12 2HD1 LEU 12 -0.470 -2.388 0.870 93 HD13 LEU 12 3HD1 LEU 12 -0.835 -1.292 -0.457 94 HD21 LEU 12 3HD2 LEU 12 -2.283 0.918 1.358 95 HD22 LEU 12 1HD2 LEU 12 -1.198 1.066 -0.047 96 HD23 LEU 12 2HD2 LEU 12 -0.749 1.811 1.485 97 H GLY 13 H GLY 13 1.555 0.346 5.848 98 HA2 GLY 13 1HA GLY 13 1.506 0.085 8.078 99 HA3 GLY 13 2HA GLY 13 -0.130 0.763 8.048 100 H VAL 14 H VAL 14 0.883 -2.301 6.380 101 HA VAL 14 HA VAL 14 -0.795 -3.752 8.323 102 HB VAL 14 HB VAL 14 -1.968 -2.941 6.161 103 HG11 VAL 14 1HG1 VAL 14 -0.262 -3.843 4.549 104 HG12 VAL 14 2HG1 VAL 14 -0.771 -5.484 4.956 105 HG13 VAL 14 3HG1 VAL 14 -1.905 -4.330 4.216 106 HG21 VAL 14 3HG2 VAL 14 -2.337 -5.850 6.895 107 HG22 VAL 14 1HG2 VAL 14 -2.762 -4.516 7.987 108 HG23 VAL 14 2HG2 VAL 14 -3.545 -4.604 6.442 109 H LYS 15 H LYS 15 -0.278 -5.902 8.635 110 HA LYS 15 HA LYS 15 2.491 -6.400 8.453 111 HB2 LYS 15 1HB LYS 15 1.726 -8.826 9.096 112 HB3 LYS 15 2HB LYS 15 1.670 -7.497 10.226 113 HG2 LYS 15 1HG LYS 15 -0.264 -8.948 10.379 114 HG3 LYS 15 2HG LYS 15 -0.713 -7.289 10.039 115 HD2 LYS 15 1HD LYS 15 -1.185 -7.809 7.741 116 HD3 LYS 15 2HD LYS 15 -0.501 -9.416 7.898 117 HE2 LYS 15 1HE LYS 15 -2.936 -8.574 9.514 118 HE3 LYS 15 2HE LYS 15 -3.096 -9.138 7.854 119 HZ1 LYS 15 3HZ LYS 15 -3.389 -10.969 9.313 120 HZ2 LYS 15 1HZ LYS 15 -1.943 -10.724 10.069 121 HZ3 LYS 15 2HZ LYS 15 -2.021 -11.212 8.499 122 HA PRO 16 HA PRO 16 2.869 -8.330 4.459 123 HB2 PRO 16 1HB PRO 16 5.098 -9.871 4.746 124 HB3 PRO 16 2HB PRO 16 5.166 -8.075 4.783 125 HG2 PRO 16 1HG PRO 16 5.048 -9.959 7.152 126 HG3 PRO 16 2HG PRO 16 6.189 -8.608 6.855 127 HD2 PRO 16 1HD PRO 16 3.947 -8.314 8.388 128 HD3 PRO 16 2HD PRO 16 4.520 -6.997 7.342 129 H ASN 17 H ASN 17 1.986 -9.966 7.243 130 HA ASN 17 HA ASN 17 1.419 -12.568 5.960 131 HB2 ASN 17 1HB ASN 17 1.230 -11.578 8.819 132 HB3 ASN 17 2HB ASN 17 0.751 -13.183 8.302 133 HD21 ASN 17 1HD2 ASN 17 2.692 -12.950 10.264 134 HD22 ASN 17 2HD2 ASN 17 4.205 -13.521 9.575 135 H ALA 18 H ALA 18 0.064 -10.128 5.048 136 HA ALA 18 HA ALA 18 -2.662 -10.217 6.090 137 HB1 ALA 18 1HB ALA 18 -1.290 -8.650 3.857 138 HB2 ALA 18 2HB ALA 18 -2.969 -8.424 4.369 139 HB3 ALA 18 3HB ALA 18 -1.664 -8.063 5.498 140 H THR 19 H THR 19 -4.436 -10.135 4.438 141 HA THR 19 HA THR 19 -4.060 -11.900 2.100 142 HB THR 19 HB THR 19 -6.666 -12.095 2.387 143 HG1 THR 19 1HG THR 19 -5.897 -11.330 4.992 144 HG21 THR 19 3HG2 THR 19 -6.375 -14.006 3.951 145 HG22 THR 19 1HG2 THR 19 -4.715 -13.441 4.286 146 HG23 THR 19 2HG2 THR 19 -5.161 -14.019 2.660 147 H GLN 20 H GLN 20 -5.309 -11.342 0.201 148 HA GLN 20 HA GLN 20 -5.052 -8.650 -0.521 149 HB2 GLN 20 1HB GLN 20 -6.879 -10.760 -1.720 150 HB3 GLN 20 2HB GLN 20 -6.353 -9.284 -2.518 151 HG2 GLN 20 1HG GLN 20 -4.000 -10.766 -1.567 152 HG3 GLN 20 2HG GLN 20 -5.048 -11.843 -2.466 153 HE21 GLN 20 1HE2 GLN 20 -4.004 -8.368 -2.779 154 HE22 GLN 20 2HE2 GLN 20 -3.595 -8.529 -4.463 155 H GLU 21 H GLU 21 -7.819 -10.252 1.030 156 HA GLU 21 HA GLU 21 -9.700 -8.118 0.567 157 HB2 GLU 21 1HB GLU 21 -9.681 -10.299 2.706 158 HB3 GLU 21 2HB GLU 21 -11.050 -9.300 2.178 159 HG2 GLU 21 1HG GLU 21 -10.652 -10.209 -0.163 160 HG3 GLU 21 2HG GLU 21 -9.613 -11.437 0.613 161 H GLU 22 H GLU 22 -7.332 -8.901 3.093 162 HA GLU 22 HA GLU 22 -8.136 -6.838 4.964 163 HB2 GLU 22 1HB GLU 22 -5.586 -8.471 4.582 164 HB3 GLU 22 2HB GLU 22 -5.796 -7.251 5.858 165 HG2 GLU 22 1HG GLU 22 -7.678 -8.490 6.785 166 HG3 GLU 22 2HG GLU 22 -7.555 -9.684 5.491 167 H LEU 23 H LEU 23 -5.781 -7.082 2.175 168 HA LEU 23 HA LEU 23 -4.570 -4.642 2.536 169 HB2 LEU 23 1HB LEU 23 -5.132 -6.491 0.230 170 HB3 LEU 23 2HB LEU 23 -4.802 -4.847 -0.236 171 HG LEU 23 HG LEU 23 -2.880 -6.170 -0.358 172 HD11 LEU 23 1HD1 LEU 23 -1.307 -4.742 0.948 173 HD12 LEU 23 2HD1 LEU 23 -2.654 -4.098 1.876 174 HD13 LEU 23 3HD1 LEU 23 -2.568 -3.822 0.120 175 HD21 LEU 23 3HD2 LEU 23 -3.556 -7.116 2.305 176 HD22 LEU 23 1HD2 LEU 23 -1.869 -6.684 2.126 177 HD23 LEU 23 2HD2 LEU 23 -2.622 -7.860 1.007 178 H LYS 24 H LYS 24 -7.613 -5.366 0.823 179 HA LYS 24 HA LYS 24 -8.132 -2.720 -0.032 180 HB2 LYS 24 1HB LYS 24 -9.271 -4.831 -0.812 181 HB3 LYS 24 2HB LYS 24 -10.206 -4.854 0.688 182 HG2 LYS 24 1HG LYS 24 -10.190 -2.267 -0.814 183 HG3 LYS 24 2HG LYS 24 -10.929 -3.597 -1.678 184 HD2 LYS 24 1HD LYS 24 -11.770 -2.912 1.172 185 HD3 LYS 24 2HD LYS 24 -12.435 -2.101 -0.250 186 HE2 LYS 24 1HE LYS 24 -12.920 -4.402 -1.224 187 HE3 LYS 24 2HE LYS 24 -12.579 -5.079 0.378 188 HZ1 LYS 24 3HZ LYS 24 -14.593 -2.994 -0.178 189 HZ2 LYS 24 1HZ LYS 24 -14.408 -3.764 1.256 190 HZ3 LYS 24 2HZ LYS 24 -14.946 -4.573 -0.097 191 H LYS 25 H LYS 25 -8.995 -4.356 3.062 192 HA LYS 25 HA LYS 25 -10.431 -2.058 4.042 193 HB2 LYS 25 1HB LYS 25 -9.159 -4.375 5.572 194 HB3 LYS 25 2HB LYS 25 -10.058 -3.055 6.323 195 HG2 LYS 25 1HG LYS 25 -11.949 -3.661 4.604 196 HG3 LYS 25 2HG LYS 25 -11.094 -5.209 4.459 197 HD2 LYS 25 1HD LYS 25 -11.347 -5.542 6.918 198 HD3 LYS 25 2HD LYS 25 -12.134 -3.949 7.042 199 HE2 LYS 25 1HE LYS 25 -13.881 -4.760 5.422 200 HE3 LYS 25 2HE LYS 25 -13.176 -6.380 5.517 201 HZ1 LYS 25 3HZ LYS 25 -13.740 -6.448 7.833 202 HZ2 LYS 25 1HZ LYS 25 -15.073 -6.050 6.965 203 HZ3 LYS 25 2HZ LYS 25 -14.294 -4.887 7.834 204 H ALA 26 H ALA 26 -7.015 -3.081 4.461 205 HA ALA 26 HA ALA 26 -6.201 -0.980 6.150 206 HB1 ALA 26 1HB ALA 26 -4.660 -2.511 3.997 207 HB2 ALA 26 2HB ALA 26 -3.929 -1.455 5.215 208 HB3 ALA 26 3HB ALA 26 -4.810 -2.907 5.722 209 H TYR 27 H TYR 27 -5.807 -1.149 2.623 210 HA TYR 27 HA TYR 27 -4.500 1.174 2.096 211 HB2 TYR 27 1HB TYR 27 -4.848 -0.464 0.388 212 HB3 TYR 27 2HB TYR 27 -6.595 -0.300 0.467 213 HD1 TYR 27 1HD TYR 27 -3.594 1.872 -0.144 214 HD2 TYR 27 2HD TYR 27 -7.640 0.947 -1.216 215 HE1 TYR 27 1HE TYR 27 -3.593 3.784 -1.740 216 HE2 TYR 27 2HE TYR 27 -7.610 2.848 -2.856 217 HH TYR 27 HH TYR 27 -5.577 4.438 -4.105 218 H ARG 28 H ARG 28 -8.068 0.887 2.103 219 HA ARG 28 HA ARG 28 -8.618 3.533 1.320 220 HB2 ARG 28 1HB ARG 28 -10.054 1.216 2.005 221 HB3 ARG 28 2HB ARG 28 -10.558 2.357 3.242 222 HG2 ARG 28 1HG ARG 28 -10.560 3.367 0.414 223 HG3 ARG 28 2HG ARG 28 -11.653 2.065 0.779 224 HD2 ARG 28 1HD ARG 28 -11.779 4.127 2.845 225 HD3 ARG 28 2HD ARG 28 -12.040 4.815 1.253 226 HE ARG 28 HE ARG 28 -13.613 2.570 2.483 227 HH11 ARG 28 1HH1 ARG 28 -13.481 5.217 0.055 228 HH12 ARG 28 2HH1 ARG 28 -15.189 5.226 -0.168 229 HH21 ARG 28 1HH2 ARG 28 -15.873 2.472 1.929 230 HH22 ARG 28 2HH2 ARG 28 -16.559 3.746 0.981 231 H LYS 29 H LYS 29 -7.948 2.296 4.563 232 HA LYS 29 HA LYS 29 -8.789 4.591 6.074 233 HB2 LYS 29 1HB LYS 29 -6.538 2.601 6.654 234 HB3 LYS 29 2HB LYS 29 -7.230 3.706 7.797 235 HG2 LYS 29 1HG LYS 29 -9.400 2.585 7.684 236 HG3 LYS 29 2HG LYS 29 -8.827 1.569 6.351 237 HD2 LYS 29 1HD LYS 29 -8.821 0.316 8.426 238 HD3 LYS 29 2HD LYS 29 -7.171 0.487 7.788 239 HE2 LYS 29 1HE LYS 29 -6.514 1.855 9.575 240 HE3 LYS 29 2HE LYS 29 -8.072 2.686 9.615 241 HZ1 LYS 29 3HZ LYS 29 -7.812 1.488 11.606 242 HZ2 LYS 29 1HZ LYS 29 -7.511 0.061 10.846 243 HZ3 LYS 29 2HZ LYS 29 -9.009 0.772 10.753 244 H LEU 30 H LEU 30 -5.638 3.640 4.727 245 HA LEU 30 HA LEU 30 -4.241 5.963 5.649 246 HB2 LEU 30 1HB LEU 30 -3.558 4.048 3.440 247 HB3 LEU 30 2HB LEU 30 -2.523 5.357 3.948 248 HG LEU 30 HG LEU 30 -1.673 3.362 4.876 249 HD11 LEU 30 1HD1 LEU 30 -1.596 3.860 7.261 250 HD12 LEU 30 2HD1 LEU 30 -3.004 4.926 7.128 251 HD13 LEU 30 3HD1 LEU 30 -1.486 5.328 6.304 252 HD21 LEU 30 3HD2 LEU 30 -4.290 2.850 6.318 253 HD22 LEU 30 1HD2 LEU 30 -2.808 1.920 6.436 254 HD23 LEU 30 2HD2 LEU 30 -3.668 1.957 4.893 255 H ALA 31 H ALA 31 -5.883 5.232 2.526 256 HA ALA 31 HA ALA 31 -5.211 7.610 1.189 257 HB1 ALA 31 1HB ALA 31 -6.307 5.725 0.076 258 HB2 ALA 31 2HB ALA 31 -7.795 6.003 1.019 259 HB3 ALA 31 3HB ALA 31 -7.248 7.216 -0.147 260 H LEU 32 H LEU 32 -8.191 7.095 3.171 261 HA LEU 32 HA LEU 32 -9.057 9.759 3.101 262 HB2 LEU 32 1HB LEU 32 -9.473 7.445 5.036 263 HB3 LEU 32 2HB LEU 32 -10.074 9.057 5.418 264 HG LEU 32 HG LEU 32 -11.218 9.110 3.183 265 HD11 LEU 32 1HD1 LEU 32 -10.129 7.251 2.009 266 HD12 LEU 32 2HD1 LEU 32 -11.873 7.066 2.089 267 HD13 LEU 32 3HD1 LEU 32 -10.838 6.119 3.189 268 HD21 LEU 32 3HD2 LEU 32 -13.148 7.748 4.025 269 HD22 LEU 32 1HD2 LEU 32 -12.416 8.712 5.312 270 HD23 LEU 32 2HD2 LEU 32 -12.055 6.974 5.206 271 H LYS 33 H LYS 33 -6.566 8.314 5.218 272 HA LYS 33 HA LYS 33 -6.424 10.567 7.046 273 HB2 LYS 33 1HB LYS 33 -5.549 8.400 7.722 274 HB3 LYS 33 2HB LYS 33 -4.433 8.349 6.350 275 HG2 LYS 33 1HG LYS 33 -3.215 10.269 7.215 276 HG3 LYS 33 2HG LYS 33 -4.347 10.459 8.547 277 HD2 LYS 33 1HD LYS 33 -2.603 7.983 8.112 278 HD3 LYS 33 2HD LYS 33 -2.145 9.390 9.086 279 HE2 LYS 33 1HE LYS 33 -4.447 8.950 10.320 280 HE3 LYS 33 2HE LYS 33 -4.282 7.328 9.642 281 HZ1 LYS 33 3HZ LYS 33 -2.136 7.166 10.745 282 HZ2 LYS 33 1HZ LYS 33 -3.307 7.482 11.847 283 HZ3 LYS 33 2HZ LYS 33 -2.302 8.683 11.370 284 H TYR 34 H TYR 34 -4.388 9.538 4.245 285 HA TYR 34 HA TYR 34 -3.205 12.242 4.113 286 HB2 TYR 34 1HB TYR 34 -2.608 9.736 2.515 287 HB3 TYR 34 2HB TYR 34 -1.664 11.221 2.510 288 HD1 TYR 34 2HD TYR 34 -0.642 11.977 4.827 289 HD2 TYR 34 1HD TYR 34 -2.014 7.977 3.953 290 HE1 TYR 34 2HE TYR 34 0.594 11.101 6.794 291 HE2 TYR 34 1HE TYR 34 -0.677 7.106 5.706 292 HH TYR 34 HH TYR 34 0.570 7.604 7.613 293 H HIS 35 H HIS 35 -5.853 12.594 3.522 294 HA HIS 35 HA HIS 35 -6.135 12.256 0.595 295 HB2 HIS 35 1HB HIS 35 -8.013 12.234 2.511 296 HB3 HIS 35 2HB HIS 35 -7.963 13.987 2.274 297 HD1 HIS 35 1HD HIS 35 -9.700 14.672 0.383 298 HD2 HIS 35 2HD HIS 35 -8.102 10.780 0.035 299 HE1 HIS 35 1HE HIS 35 -10.663 13.672 -1.753 300 HA PRO 36 HA PRO 36 -3.735 15.944 0.111 301 HB2 PRO 36 1HB PRO 36 -4.709 17.044 -2.274 302 HB3 PRO 36 2HB PRO 36 -3.507 15.730 -2.124 303 HG2 PRO 36 1HG PRO 36 -6.482 15.538 -2.651 304 HG3 PRO 36 2HG PRO 36 -5.137 14.577 -3.354 305 HD2 PRO 36 1HD PRO 36 -6.749 13.633 -1.346 306 HD3 PRO 36 2HD PRO 36 -5.023 13.187 -1.431 307 H ASP 37 H ASP 37 -7.177 16.332 -0.501 308 HA ASP 37 HA ASP 37 -7.668 18.996 -0.308 309 HB2 ASP 37 1HB ASP 37 -9.391 17.411 -0.829 310 HB3 ASP 37 2HB ASP 37 -9.204 16.592 0.720 311 H LYS 38 H LYS 38 -6.970 16.860 2.486 312 HA LYS 38 HA LYS 38 -6.703 19.295 4.158 313 HB2 LYS 38 1HB LYS 38 -8.133 16.729 4.943 314 HB3 LYS 38 2HB LYS 38 -7.624 18.003 6.048 315 HG2 LYS 38 1HG LYS 38 -8.917 19.602 4.418 316 HG3 LYS 38 2HG LYS 38 -9.754 18.140 3.907 317 HD2 LYS 38 1HD LYS 38 -10.522 17.731 6.189 318 HD3 LYS 38 2HD LYS 38 -9.556 19.082 6.811 319 HE2 LYS 38 1HE LYS 38 -11.888 19.302 4.862 320 HE3 LYS 38 2HE LYS 38 -11.937 19.702 6.582 321 HZ1 LYS 38 3HZ LYS 38 -11.675 21.658 5.314 322 HZ2 LYS 38 1HZ LYS 38 -10.374 21.092 4.499 323 HZ3 LYS 38 2HZ LYS 38 -10.246 21.437 6.103 324 H ASN 39 H ASN 39 -4.747 17.479 2.603 325 HA ASN 39 HA ASN 39 -2.819 17.643 4.726 326 HB2 ASN 39 1HB ASN 39 -3.937 15.319 4.955 327 HB3 ASN 39 2HB ASN 39 -3.058 14.876 3.490 328 HD21 ASN 39 1HD2 ASN 39 -2.581 13.473 5.822 329 HD22 ASN 39 2HD2 ASN 39 -1.016 13.938 6.478 330 HA PRO 40 HA PRO 40 -1.535 18.225 0.196 331 HB2 PRO 40 1HB PRO 40 -0.749 20.877 0.348 332 HB3 PRO 40 2HB PRO 40 -2.423 20.332 -0.045 333 HG2 PRO 40 1HG PRO 40 -1.296 21.251 2.610 334 HG3 PRO 40 2HG PRO 40 -2.848 21.710 1.844 335 HD2 PRO 40 1HD PRO 40 -2.679 19.784 3.785 336 HD3 PRO 40 2HD PRO 40 -3.846 19.655 2.448 337 H ASN 41 H ASN 41 -0.145 18.984 3.284 338 HA ASN 41 HA ASN 41 2.590 19.377 2.650 339 HB2 ASN 41 1HB ASN 41 1.517 18.114 5.190 340 HB3 ASN 41 2HB ASN 41 2.892 19.186 5.007 341 HD21 ASN 41 1HD2 ASN 41 2.371 21.584 4.625 342 HD22 ASN 41 2HD2 ASN 41 0.830 22.125 5.312 343 H GLU 42 H GLU 42 0.602 16.544 2.598 344 HA GLU 42 HA GLU 42 2.911 14.690 2.199 345 HB2 GLU 42 1HB GLU 42 0.242 14.238 3.610 346 HB3 GLU 42 2HB GLU 42 1.446 12.992 3.314 347 HG2 GLU 42 1HG GLU 42 2.105 15.430 5.033 348 HG3 GLU 42 2HG GLU 42 1.259 14.031 5.635 349 H GLY 43 H GLY 43 1.017 16.466 0.434 350 HA2 GLY 43 1HA GLY 43 -0.961 14.891 -0.673 351 HA3 GLY 43 2HA GLY 43 -0.238 16.233 -1.495 352 H GLU 44 H GLU 44 2.501 14.859 -1.440 353 HA GLU 44 HA GLU 44 2.021 12.994 -3.651 354 HB2 GLU 44 1HB GLU 44 3.991 14.878 -3.286 355 HB3 GLU 44 2HB GLU 44 4.810 13.401 -2.769 356 HG2 GLU 44 1HG GLU 44 3.905 12.276 -4.915 357 HG3 GLU 44 2HG GLU 44 3.250 13.835 -5.385 358 H LYS 45 H LYS 45 2.456 12.688 -0.201 359 HA LYS 45 HA LYS 45 3.791 10.168 -0.157 360 HB2 LYS 45 1HB LYS 45 3.193 11.662 1.863 361 HB3 LYS 45 2HB LYS 45 1.555 11.014 1.732 362 HG2 LYS 45 1HG LYS 45 2.533 8.677 1.861 363 HG3 LYS 45 2HG LYS 45 4.109 9.408 2.153 364 HD2 LYS 45 1HD LYS 45 1.670 9.929 3.907 365 HD3 LYS 45 2HD LYS 45 2.718 8.505 4.126 366 HE2 LYS 45 1HE LYS 45 4.694 10.138 4.280 367 HE3 LYS 45 2HE LYS 45 3.488 11.418 4.322 368 HZ1 LYS 45 3HZ LYS 45 4.134 9.480 6.398 369 HZ2 LYS 45 1HZ LYS 45 2.578 9.992 6.296 370 HZ3 LYS 45 2HZ LYS 45 3.772 11.092 6.482 371 H PHE 46 H PHE 46 0.497 11.175 -0.835 372 HA PHE 46 HA PHE 46 -0.909 8.781 -0.874 373 HB2 PHE 46 1HB PHE 46 -1.516 11.197 -1.744 374 HB3 PHE 46 2HB PHE 46 -1.180 10.534 -3.306 375 HD1 PHE 46 1HD PHE 46 -2.258 7.978 -3.657 376 HD2 PHE 46 2HD PHE 46 -3.787 11.089 -1.096 377 HE1 PHE 46 1HE PHE 46 -4.439 6.854 -3.588 378 HE2 PHE 46 2HE PHE 46 -5.965 9.926 -0.984 379 HZ PHE 46 HZ PHE 46 -6.285 7.779 -2.226 380 H LYS 47 H LYS 47 1.420 9.942 -3.303 381 HA LYS 47 HA LYS 47 1.063 7.880 -5.145 382 HB2 LYS 47 1HB LYS 47 2.420 10.194 -5.190 383 HB3 LYS 47 2HB LYS 47 3.805 9.152 -4.820 384 HG2 LYS 47 1HG LYS 47 3.440 7.885 -6.863 385 HG3 LYS 47 2HG LYS 47 1.830 8.626 -7.042 386 HD2 LYS 47 1HD LYS 47 2.710 10.762 -7.591 387 HD3 LYS 47 2HD LYS 47 4.377 10.229 -7.298 388 HE2 LYS 47 1HE LYS 47 4.386 8.781 -9.178 389 HE3 LYS 47 2HE LYS 47 2.629 8.748 -9.303 390 HZ1 LYS 47 3HZ LYS 47 4.029 11.294 -9.725 391 HZ2 LYS 47 1HZ LYS 47 2.573 10.771 -10.317 392 HZ3 LYS 47 2HZ LYS 47 3.948 10.177 -10.938 393 H GLN 48 H GLN 48 3.227 7.908 -2.274 394 HA GLN 48 HA GLN 48 4.385 5.321 -2.710 395 HB2 GLN 48 1HB GLN 48 4.002 7.175 -0.376 396 HB3 GLN 48 2HB GLN 48 4.189 5.491 0.023 397 HG2 GLN 48 1HG GLN 48 6.141 6.970 -1.769 398 HG3 GLN 48 2HG GLN 48 6.284 6.935 -0.004 399 HE21 GLN 48 1HE2 GLN 48 7.538 5.499 -2.662 400 HE22 GLN 48 2HE2 GLN 48 7.799 3.866 -2.090 401 H ILE 49 H ILE 49 1.201 6.334 -1.443 402 HA ILE 49 HA ILE 49 0.606 3.780 -0.161 403 HB ILE 49 HB ILE 49 -1.479 5.800 -1.088 404 HG12 ILE 49 1HG1 ILE 49 0.199 5.991 1.433 405 HG13 ILE 49 2HG1 ILE 49 0.128 7.124 0.110 406 HG21 ILE 49 1HG2 ILE 49 -1.542 4.124 1.432 407 HG22 ILE 49 2HG2 ILE 49 -2.886 4.883 0.561 408 HG23 ILE 49 3HG2 ILE 49 -2.054 3.475 -0.121 409 HD11 ILE 49 3HD1 ILE 49 -2.299 7.545 0.648 410 HD12 ILE 49 1HD1 ILE 49 -2.048 6.585 2.133 411 HD13 ILE 49 2HD1 ILE 49 -1.111 8.058 1.872 412 H SER 50 H SER 50 -0.249 5.454 -3.180 413 HA SER 50 HA SER 50 -1.789 3.399 -4.358 414 HB2 SER 50 1HB SER 50 -1.544 5.873 -5.004 415 HB3 SER 50 2HB SER 50 -0.184 5.234 -5.954 416 HG SER 50 HG SER 50 -2.074 5.196 -7.195 417 H GLN 51 H GLN 51 1.742 4.200 -4.884 418 HA GLN 51 HA GLN 51 2.400 2.246 -6.656 419 HB2 GLN 51 1HB GLN 51 3.787 4.147 -5.714 420 HB3 GLN 51 2HB GLN 51 4.029 3.215 -4.264 421 HG2 GLN 51 1HG GLN 51 5.993 2.888 -5.451 422 HG3 GLN 51 2HG GLN 51 5.092 1.422 -5.767 423 HE21 GLN 51 1HE2 GLN 51 5.643 0.863 -7.907 424 HE22 GLN 51 2HE2 GLN 51 5.769 1.970 -9.249 425 H ALA 52 H ALA 52 2.043 1.880 -3.125 426 HA ALA 52 HA ALA 52 2.953 -0.863 -3.137 427 HB1 ALA 52 1HB ALA 52 1.474 0.876 -1.098 428 HB2 ALA 52 2HB ALA 52 1.880 -0.810 -0.787 429 HB3 ALA 52 3HB ALA 52 3.180 0.367 -1.053 430 H TYR 53 H TYR 53 -0.347 0.582 -2.871 431 HA TYR 53 HA TYR 53 -1.542 -2.028 -2.790 432 HB2 TYR 53 1HB TYR 53 -2.582 0.114 -1.982 433 HB3 TYR 53 2HB TYR 53 -2.812 0.595 -3.661 434 HD1 TYR 53 1HD TYR 53 -3.691 -2.054 -1.137 435 HD2 TYR 53 2HD TYR 53 -4.684 -0.256 -4.918 436 HE1 TYR 53 1HE TYR 53 -5.842 -3.276 -1.162 437 HE2 TYR 53 2HE TYR 53 -6.824 -1.474 -4.951 438 HH TYR 53 HH TYR 53 -7.534 -4.083 -2.762 439 H GLU 54 H GLU 54 -0.327 -0.086 -5.442 440 HA GLU 54 HA GLU 54 -2.198 -0.881 -7.426 441 HB2 GLU 54 1HB GLU 54 -0.812 1.149 -7.442 442 HB3 GLU 54 2HB GLU 54 0.654 0.216 -7.724 443 HG2 GLU 54 1HG GLU 54 -1.741 0.023 -9.554 444 HG3 GLU 54 2HG GLU 54 -0.698 1.440 -9.663 445 H VAL 55 H VAL 55 0.746 -2.369 -6.330 446 HA VAL 55 HA VAL 55 0.838 -4.316 -8.545 447 HB VAL 55 HB VAL 55 2.491 -3.750 -6.058 448 HG11 VAL 55 1HG1 VAL 55 2.648 -6.176 -6.408 449 HG12 VAL 55 2HG1 VAL 55 2.979 -5.936 -8.139 450 HG13 VAL 55 3HG1 VAL 55 4.142 -5.380 -6.914 451 HG21 VAL 55 3HG2 VAL 55 4.160 -3.101 -7.765 452 HG22 VAL 55 1HG2 VAL 55 3.055 -3.557 -9.067 453 HG23 VAL 55 2HG2 VAL 55 2.636 -2.191 -8.033 454 H LEU 56 H LEU 56 -0.396 -4.057 -5.260 455 HA LEU 56 HA LEU 56 -1.028 -6.937 -5.119 456 HB2 LEU 56 1HB LEU 56 -1.835 -4.659 -3.274 457 HB3 LEU 56 2HB LEU 56 -1.901 -6.392 -2.906 458 HG LEU 56 HG LEU 56 0.640 -4.760 -3.374 459 HD11 LEU 56 1HD1 LEU 56 -0.414 -6.012 -0.828 460 HD12 LEU 56 2HD1 LEU 56 -0.427 -4.266 -1.236 461 HD13 LEU 56 3HD1 LEU 56 1.106 -5.119 -1.017 462 HD21 LEU 56 3HD2 LEU 56 1.899 -6.701 -2.682 463 HD22 LEU 56 1HD2 LEU 56 0.990 -7.084 -4.133 464 HD23 LEU 56 2HD2 LEU 56 0.418 -7.676 -2.550 465 H SER 57 H SER 57 -2.525 -4.049 -6.337 466 HA SER 57 HA SER 57 -5.218 -4.560 -6.103 467 HB2 SER 57 1HB SER 57 -3.480 -3.120 -8.084 468 HB3 SER 57 2HB SER 57 -5.181 -3.356 -8.492 469 HG SER 57 HG SER 57 -5.703 -1.901 -7.102 470 H ASP 58 H ASP 58 -2.912 -6.203 -8.279 471 HA ASP 58 HA ASP 58 -5.200 -7.541 -9.631 472 HB2 ASP 58 1HB ASP 58 -3.430 -5.856 -10.869 473 HB3 ASP 58 2HB ASP 58 -2.526 -7.335 -10.963 474 H ALA 59 H ALA 59 -4.858 -9.723 -10.248 475 HA ALA 59 HA ALA 59 -3.330 -11.175 -8.276 476 HB1 ALA 59 1HB ALA 59 -4.164 -13.196 -9.440 477 HB2 ALA 59 2HB ALA 59 -5.484 -12.027 -9.207 478 HB3 ALA 59 3HB ALA 59 -4.716 -12.209 -10.805 479 H LYS 60 H LYS 60 -2.835 -10.764 -11.934 480 HA LYS 60 HA LYS 60 -0.517 -12.394 -11.977 481 HB2 LYS 60 1HB LYS 60 -1.784 -10.255 -13.729 482 HB3 LYS 60 2HB LYS 60 -0.143 -10.690 -13.989 483 HG2 LYS 60 1HG LYS 60 -1.120 -13.207 -14.017 484 HG3 LYS 60 2HG LYS 60 -2.588 -12.338 -14.490 485 HD2 LYS 60 1HD LYS 60 -1.239 -11.147 -16.256 486 HD3 LYS 60 2HD LYS 60 0.170 -12.117 -15.797 487 HE2 LYS 60 1HE LYS 60 -1.113 -14.173 -16.467 488 HE3 LYS 60 2HE LYS 60 -2.433 -13.111 -16.993 489 HZ1 LYS 60 3HZ LYS 60 -0.850 -12.013 -18.500 490 HZ2 LYS 60 1HZ LYS 60 -1.035 -13.590 -18.865 491 HZ3 LYS 60 2HZ LYS 60 0.316 -13.062 -18.064 492 H LYS 61 H LYS 61 -1.034 -8.997 -11.127 493 HA LYS 61 HA LYS 61 1.745 -8.204 -11.281 494 HB2 LYS 61 1HB LYS 61 -0.612 -7.058 -9.770 495 HB3 LYS 61 2HB LYS 61 0.987 -6.317 -9.827 496 HG2 LYS 61 1HG LYS 61 -0.394 -7.030 -12.436 497 HG3 LYS 61 2HG LYS 61 -0.951 -5.658 -11.521 498 HD2 LYS 61 1HD LYS 61 1.898 -6.029 -12.458 499 HD3 LYS 61 2HD LYS 61 0.689 -5.079 -13.310 500 HE2 LYS 61 1HE LYS 61 1.811 -4.518 -10.530 501 HE3 LYS 61 2HE LYS 61 2.161 -3.637 -12.001 502 HZ1 LYS 61 3HZ LYS 61 -0.201 -3.006 -12.087 503 HZ2 LYS 61 1HZ LYS 61 0.643 -2.400 -10.849 504 HZ3 LYS 61 2HZ LYS 61 -0.393 -3.601 -10.537 505 H ARG 62 H ARG 62 -0.469 -8.989 -8.526 506 HA ARG 62 HA ARG 62 1.520 -9.228 -6.593 507 HB2 ARG 62 1HB ARG 62 -0.888 -9.321 -6.048 508 HB3 ARG 62 2HB ARG 62 -0.996 -10.921 -6.743 509 HG2 ARG 62 1HG ARG 62 0.253 -11.956 -5.080 510 HG3 ARG 62 2HG ARG 62 1.139 -10.493 -4.636 511 HD2 ARG 62 1HD ARG 62 -0.478 -9.684 -3.256 512 HD3 ARG 62 2HD ARG 62 -1.786 -10.541 -4.086 513 HE ARG 62 HE ARG 62 -0.072 -11.525 -1.920 514 HH11 ARG 62 1HH1 ARG 62 -2.324 -12.557 -4.534 515 HH12 ARG 62 2HH1 ARG 62 -2.418 -14.168 -3.947 516 HH21 ARG 62 1HH2 ARG 62 -0.499 -13.488 -1.011 517 HH22 ARG 62 2HH2 ARG 62 -1.394 -14.737 -1.803 518 H GLU 63 H GLU 63 0.521 -11.841 -8.877 519 HA GLU 63 HA GLU 63 1.973 -13.941 -7.797 520 HB2 GLU 63 1HB GLU 63 1.441 -13.185 -10.683 521 HB3 GLU 63 2HB GLU 63 2.344 -14.632 -10.259 522 HG2 GLU 63 1HG GLU 63 0.474 -15.665 -9.210 523 HG3 GLU 63 2HG GLU 63 -0.489 -14.194 -9.289 524 H LEU 64 H LEU 64 3.162 -11.455 -10.072 525 HA LEU 64 HA LEU 64 5.859 -12.414 -10.286 526 HB2 LEU 64 1HB LEU 64 4.362 -9.875 -10.937 527 HB3 LEU 64 2HB LEU 64 6.088 -9.711 -10.726 528 HG LEU 64 HG LEU 64 5.312 -10.042 -13.080 529 HD11 LEU 64 1HD1 LEU 64 7.148 -11.534 -13.691 530 HD12 LEU 64 2HD1 LEU 64 7.299 -12.097 -12.012 531 HD13 LEU 64 3HD1 LEU 64 7.637 -10.397 -12.437 532 HD21 LEU 64 3HD2 LEU 64 4.928 -12.961 -12.293 533 HD22 LEU 64 1HD2 LEU 64 4.751 -12.238 -13.902 534 HD23 LEU 64 2HD2 LEU 64 3.607 -11.796 -12.622 535 H TYR 65 H TYR 65 4.549 -9.673 -8.470 536 HA TYR 65 HA TYR 65 6.679 -8.874 -6.933 537 HB2 TYR 65 1HB TYR 65 4.769 -7.614 -7.038 538 HB3 TYR 65 2HB TYR 65 3.706 -8.919 -6.528 539 HD1 TYR 65 1HD TYR 65 6.229 -6.500 -5.357 540 HD2 TYR 65 2HD TYR 65 3.292 -9.435 -4.226 541 HE1 TYR 65 1HE TYR 65 6.434 -5.784 -2.971 542 HE2 TYR 65 2HE TYR 65 3.419 -8.727 -1.895 543 HH TYR 65 HH TYR 65 5.912 -6.349 -0.772 544 H ASP 66 H ASP 66 4.436 -11.605 -6.112 545 HA ASP 66 HA ASP 66 5.422 -12.093 -3.529 546 HB2 ASP 66 1HB ASP 66 3.382 -13.141 -4.711 547 HB3 ASP 66 2HB ASP 66 4.510 -14.309 -5.404 548 H LYS 67 H LYS 67 6.539 -13.428 -6.668 549 HA LYS 67 HA LYS 67 8.849 -14.673 -5.318 550 HB2 LYS 67 1HB LYS 67 9.445 -15.649 -7.415 551 HB3 LYS 67 2HB LYS 67 7.814 -16.076 -6.947 552 HG2 LYS 67 1HG LYS 67 6.827 -14.982 -8.699 553 HG3 LYS 67 2HG LYS 67 8.075 -13.732 -8.803 554 HD2 LYS 67 1HD LYS 67 8.847 -16.554 -9.509 555 HD3 LYS 67 2HD LYS 67 7.931 -15.590 -10.684 556 HE2 LYS 67 1HE LYS 67 9.607 -14.052 -11.005 557 HE3 LYS 67 2HE LYS 67 10.230 -14.222 -9.355 558 HZ1 LYS 67 3HZ LYS 67 11.797 -15.120 -10.864 559 HZ2 LYS 67 1HZ LYS 67 10.738 -16.115 -11.565 560 HZ3 LYS 67 2HZ LYS 67 11.189 -16.355 -9.982 561 H GLY 68 H GLY 68 8.477 -11.634 -5.540 562 HA2 GLY 68 1HA GLY 68 10.094 -10.010 -5.482 563 HA3 GLY 68 2HA GLY 68 11.296 -11.201 -5.969 564 H GLY 69 H GLY 69 8.343 -10.583 -7.909 565 HA2 GLY 69 1HA GLY 69 10.055 -10.318 -10.226 566 HA3 GLY 69 2HA GLY 69 8.305 -10.572 -10.156 567 H GLU 70 H GLU 70 8.091 -8.137 -8.322 568 HA GLU 70 HA GLU 70 9.185 -5.931 -9.788 569 HB2 GLU 70 1HB GLU 70 7.078 -4.804 -10.283 570 HB3 GLU 70 2HB GLU 70 7.414 -6.278 -11.197 571 HG2 GLU 70 1HG GLU 70 5.765 -7.520 -9.743 572 HG3 GLU 70 2HG GLU 70 5.307 -5.964 -9.042 573 H GLN 71 H GLN 71 10.192 -6.216 -7.715 574 HA GLN 71 HA GLN 71 9.258 -4.190 -5.924 575 HB2 GLN 71 1HB GLN 71 9.790 -5.675 -3.875 576 HB3 GLN 71 2HB GLN 71 8.193 -5.701 -4.566 577 HG2 GLN 71 1HG GLN 71 8.369 -7.888 -5.293 578 HG3 GLN 71 2HG GLN 71 10.101 -7.769 -5.565 579 HE21 GLN 71 1HE2 GLN 71 7.660 -8.063 -2.920 580 HE22 GLN 71 2HE2 GLN 71 8.779 -8.742 -1.752 Start of MODEL 16 1 H1 GLY 1 H GLY 1 16.091 2.987 13.063 2 HA2 GLY 1 1HA GLY 1 14.744 5.586 13.469 3 HA3 GLY 1 2HA GLY 1 16.492 5.338 13.604 4 H MET 2 H MET 2 16.515 3.517 11.103 5 HA MET 2 HA MET 2 16.161 5.582 9.023 6 HB2 MET 2 1HB MET 2 18.507 5.375 8.436 7 HB3 MET 2 2HB MET 2 18.369 5.855 10.127 8 HG2 MET 2 1HG MET 2 18.612 3.344 10.695 9 HG3 MET 2 2HG MET 2 19.102 3.136 9.018 10 HE1 MET 2 3HE MET 2 22.388 5.273 8.876 11 HE2 MET 2 1HE MET 2 21.021 4.567 7.972 12 HE3 MET 2 2HE MET 2 20.823 6.119 8.823 13 H VAL 3 H VAL 3 15.046 2.782 9.746 14 HA VAL 3 HA VAL 3 15.604 1.254 7.337 15 HB VAL 3 HB VAL 3 14.865 0.220 9.440 16 HG11 VAL 3 1HG1 VAL 3 13.307 1.946 10.285 17 HG12 VAL 3 2HG1 VAL 3 12.124 1.450 9.057 18 HG13 VAL 3 3HG1 VAL 3 12.643 0.310 10.305 19 HG21 VAL 3 3HG2 VAL 3 13.019 -0.200 7.078 20 HG22 VAL 3 1HG2 VAL 3 14.468 -1.084 7.489 21 HG23 VAL 3 2HG2 VAL 3 13.048 -1.249 8.512 22 H LYS 4 H LYS 4 15.088 2.176 5.411 23 HA LYS 4 HA LYS 4 12.324 3.260 5.084 24 HB2 LYS 4 1HB LYS 4 14.778 4.345 3.632 25 HB3 LYS 4 2HB LYS 4 13.091 4.739 3.298 26 HG2 LYS 4 1HG LYS 4 13.452 6.509 4.580 27 HG3 LYS 4 2HG LYS 4 13.068 5.407 5.884 28 HD2 LYS 4 1HD LYS 4 15.025 6.085 6.799 29 HD3 LYS 4 2HD LYS 4 15.826 5.050 5.599 30 HE2 LYS 4 1HE LYS 4 15.948 6.972 4.033 31 HE3 LYS 4 2HE LYS 4 15.116 7.989 5.216 32 HZ1 LYS 4 3HZ LYS 4 16.969 7.721 6.706 33 HZ2 LYS 4 1HZ LYS 4 17.495 8.310 5.272 34 HZ3 LYS 4 2HZ LYS 4 17.767 6.739 5.651 35 H GLU 5 H GLU 5 12.932 0.637 5.031 36 HA GLU 5 HA GLU 5 13.185 -0.287 2.251 37 HB2 GLU 5 1HB GLU 5 15.062 -1.789 2.944 38 HB3 GLU 5 2HB GLU 5 15.452 -0.080 2.873 39 HG2 GLU 5 1HG GLU 5 15.083 -0.049 5.447 40 HG3 GLU 5 2HG GLU 5 15.141 -1.814 5.343 41 H THR 6 H THR 6 11.070 -1.043 2.331 42 HA THR 6 HA THR 6 10.601 -3.415 3.881 43 HB THR 6 HB THR 6 8.177 -1.934 4.216 44 HG1 THR 6 1HG THR 6 9.143 -0.039 4.157 45 HG21 THR 6 3HG2 THR 6 8.773 -3.730 5.596 46 HG22 THR 6 1HG2 THR 6 8.623 -2.303 6.635 47 HG23 THR 6 2HG2 THR 6 10.242 -2.895 6.206 48 H THR 7 H THR 7 8.871 -4.634 3.005 49 HA THR 7 HA THR 7 8.202 -4.242 0.305 50 HB THR 7 HB THR 7 8.252 -6.363 1.674 51 HG1 THR 7 1HG THR 7 7.498 -6.835 -0.134 52 HG21 THR 7 3HG2 THR 7 6.244 -7.061 2.830 53 HG22 THR 7 1HG2 THR 7 5.408 -5.589 2.373 54 HG23 THR 7 2HG2 THR 7 6.763 -5.511 3.552 55 H TYR 8 H TYR 8 5.856 -4.515 -0.195 56 HA TYR 8 HA TYR 8 4.720 -1.862 -0.063 57 HB2 TYR 8 1HB TYR 8 3.730 -4.478 -1.260 58 HB3 TYR 8 2HB TYR 8 2.959 -2.920 -1.566 59 HD1 TYR 8 2HD TYR 8 5.226 -1.064 -1.970 60 HD2 TYR 8 1HD TYR 8 4.754 -5.161 -3.202 61 HE1 TYR 8 2HE TYR 8 6.723 -0.637 -3.861 62 HE2 TYR 8 1HE TYR 8 6.260 -4.759 -5.139 63 HH TYR 8 HH TYR 8 8.414 -2.766 -5.450 64 H TYR 9 H TYR 9 3.927 -4.753 1.761 65 HA TYR 9 HA TYR 9 1.302 -3.947 2.609 66 HB2 TYR 9 1HB TYR 9 3.457 -5.714 3.821 67 HB3 TYR 9 2HB TYR 9 1.949 -5.396 4.640 68 HD1 TYR 9 2HD TYR 9 -0.264 -5.899 3.461 69 HD2 TYR 9 1HD TYR 9 3.517 -7.564 2.244 70 HE1 TYR 9 2HE TYR 9 -1.440 -7.807 2.443 71 HE2 TYR 9 1HE TYR 9 2.358 -9.473 1.222 72 HH TYR 9 HH TYR 9 -1.108 -10.010 1.719 73 H ASP 10 H ASP 10 4.577 -3.371 4.062 74 HA ASP 10 HA ASP 10 3.464 -2.236 6.414 75 HB2 ASP 10 1HB ASP 10 6.223 -2.473 5.255 76 HB3 ASP 10 2HB ASP 10 5.972 -1.309 6.559 77 H VAL 11 H VAL 11 4.178 -0.823 3.317 78 HA VAL 11 HA VAL 11 4.028 1.977 3.951 79 HB VAL 11 HB VAL 11 3.199 0.380 1.482 80 HG11 VAL 11 1HG1 VAL 11 3.438 3.391 1.792 81 HG12 VAL 11 2HG1 VAL 11 3.348 2.536 0.235 82 HG13 VAL 11 3HG1 VAL 11 1.985 2.453 1.348 83 HG21 VAL 11 3HG2 VAL 11 5.288 1.135 0.492 84 HG22 VAL 11 1HG2 VAL 11 5.697 2.050 1.951 85 HG23 VAL 11 2HG2 VAL 11 5.629 0.266 1.986 86 H LEU 12 H LEU 12 1.562 -0.497 3.250 87 HA LEU 12 HA LEU 12 -0.632 1.390 3.608 88 HB2 LEU 12 1HB LEU 12 -0.388 -1.572 2.993 89 HB3 LEU 12 2HB LEU 12 -1.956 -0.886 3.390 90 HG LEU 12 HG LEU 12 -0.225 0.408 1.247 91 HD11 LEU 12 1HD1 LEU 12 -2.267 -1.770 0.716 92 HD12 LEU 12 2HD1 LEU 12 -0.496 -2.005 0.651 93 HD13 LEU 12 3HD1 LEU 12 -1.278 -0.892 -0.474 94 HD21 LEU 12 3HD2 LEU 12 -3.239 0.258 1.725 95 HD22 LEU 12 1HD2 LEU 12 -2.417 1.125 0.416 96 HD23 LEU 12 2HD2 LEU 12 -2.195 1.650 2.090 97 H GLY 13 H GLY 13 1.467 0.363 5.787 98 HA2 GLY 13 1HA GLY 13 1.453 0.329 8.031 99 HA3 GLY 13 2HA GLY 13 -0.187 0.984 7.990 100 H VAL 14 H VAL 14 0.231 -2.012 6.308 101 HA VAL 14 HA VAL 14 -0.958 -3.528 8.568 102 HB VAL 14 HB VAL 14 -1.588 -5.176 6.762 103 HG11 VAL 14 1HG1 VAL 14 -3.247 -3.770 7.859 104 HG12 VAL 14 2HG1 VAL 14 -2.967 -2.478 6.668 105 HG13 VAL 14 3HG1 VAL 14 -3.668 -4.031 6.161 106 HG21 VAL 14 3HG2 VAL 14 -1.876 -4.445 4.476 107 HG22 VAL 14 1HG2 VAL 14 -1.248 -2.830 4.860 108 HG23 VAL 14 2HG2 VAL 14 -0.171 -4.233 4.934 109 H LYS 15 H LYS 15 0.001 -5.434 9.080 110 HA LYS 15 HA LYS 15 2.786 -5.733 8.654 111 HB2 LYS 15 1HB LYS 15 2.241 -8.175 9.469 112 HB3 LYS 15 2HB LYS 15 2.117 -6.776 10.530 113 HG2 LYS 15 1HG LYS 15 0.346 -8.407 10.838 114 HG3 LYS 15 2HG LYS 15 -0.236 -6.778 10.518 115 HD2 LYS 15 1HD LYS 15 -0.792 -7.400 8.225 116 HD3 LYS 15 2HD LYS 15 -0.122 -9.016 8.467 117 HE2 LYS 15 1HE LYS 15 -2.310 -8.017 10.303 118 HE3 LYS 15 2HE LYS 15 -2.740 -8.437 8.642 119 HZ1 LYS 15 3HZ LYS 15 -1.824 -10.622 8.988 120 HZ2 LYS 15 1HZ LYS 15 -3.085 -10.278 9.938 121 HZ3 LYS 15 2HZ LYS 15 -1.532 -10.297 10.585 122 HA PRO 16 HA PRO 16 3.125 -7.710 4.727 123 HB2 PRO 16 1HB PRO 16 5.227 -9.446 5.078 124 HB3 PRO 16 2HB PRO 16 5.341 -7.664 4.960 125 HG2 PRO 16 1HG PRO 16 5.188 -9.325 7.485 126 HG3 PRO 16 2HG PRO 16 6.401 -8.064 7.062 127 HD2 PRO 16 1HD PRO 16 4.292 -7.471 8.587 128 HD3 PRO 16 2HD PRO 16 4.780 -6.330 7.297 129 H ASN 17 H ASN 17 1.613 -9.234 7.084 130 HA ASN 17 HA ASN 17 1.053 -11.731 5.566 131 HB2 ASN 17 1HB ASN 17 1.365 -11.315 8.565 132 HB3 ASN 17 2HB ASN 17 0.611 -12.717 7.827 133 HD21 ASN 17 1HD2 ASN 17 3.572 -11.600 8.984 134 HD22 ASN 17 2HD2 ASN 17 4.559 -12.803 8.161 135 H ALA 18 H ALA 18 -0.277 -9.270 5.094 136 HA ALA 18 HA ALA 18 -2.968 -9.663 6.354 137 HB1 ALA 18 1HB ALA 18 -1.711 -7.327 4.858 138 HB2 ALA 18 2HB ALA 18 -3.435 -7.428 5.235 139 HB3 ALA 18 3HB ALA 18 -2.256 -7.379 6.544 140 H THR 19 H THR 19 -4.837 -9.796 4.901 141 HA THR 19 HA THR 19 -4.235 -11.258 2.478 142 HB THR 19 HB THR 19 -6.915 -11.356 2.725 143 HG1 THR 19 1HG THR 19 -7.473 -11.280 4.906 144 HG21 THR 19 3HG2 THR 19 -5.331 -13.313 3.036 145 HG22 THR 19 1HG2 THR 19 -6.632 -13.325 4.220 146 HG23 THR 19 2HG2 THR 19 -5.015 -12.754 4.690 147 H GLN 20 H GLN 20 -5.777 -10.921 0.612 148 HA GLN 20 HA GLN 20 -5.562 -8.550 -0.797 149 HB2 GLN 20 1HB GLN 20 -7.961 -10.403 -0.864 150 HB3 GLN 20 2HB GLN 20 -7.403 -9.349 -2.138 151 HG2 GLN 20 1HG GLN 20 -5.198 -11.081 -1.442 152 HG3 GLN 20 2HG GLN 20 -6.645 -12.074 -1.567 153 HE21 GLN 20 1HE2 GLN 20 -4.707 -9.579 -3.221 154 HE22 GLN 20 2HE2 GLN 20 -5.115 -10.009 -4.841 155 H GLU 21 H GLU 21 -8.151 -9.561 1.414 156 HA GLU 21 HA GLU 21 -9.961 -7.438 1.020 157 HB2 GLU 21 1HB GLU 21 -9.617 -9.351 3.391 158 HB3 GLU 21 2HB GLU 21 -11.064 -8.404 2.966 159 HG2 GLU 21 1HG GLU 21 -11.074 -9.570 0.752 160 HG3 GLU 21 2HG GLU 21 -9.823 -10.668 1.375 161 H GLU 22 H GLU 22 -7.683 -8.149 3.663 162 HA GLU 22 HA GLU 22 -8.025 -5.951 5.349 163 HB2 GLU 22 1HB GLU 22 -5.616 -7.624 4.618 164 HB3 GLU 22 2HB GLU 22 -5.630 -6.488 5.982 165 HG2 GLU 22 1HG GLU 22 -7.669 -8.749 5.709 166 HG3 GLU 22 2HG GLU 22 -6.051 -8.979 6.367 167 H LEU 23 H LEU 23 -5.920 -6.395 2.490 168 HA LEU 23 HA LEU 23 -4.585 -3.902 2.546 169 HB2 LEU 23 1HB LEU 23 -5.242 -5.925 0.397 170 HB3 LEU 23 2HB LEU 23 -4.510 -4.403 -0.070 171 HG LEU 23 HG LEU 23 -3.260 -6.148 2.094 172 HD11 LEU 23 1HD1 LEU 23 -3.479 -7.552 0.141 173 HD12 LEU 23 2HD1 LEU 23 -1.794 -6.998 0.205 174 HD13 LEU 23 3HD1 LEU 23 -2.940 -6.227 -0.921 175 HD21 LEU 23 3HD2 LEU 23 -2.489 -3.794 1.944 176 HD22 LEU 23 1HD2 LEU 23 -2.206 -3.991 0.198 177 HD23 LEU 23 2HD2 LEU 23 -1.227 -4.888 1.385 178 H LYS 24 H LYS 24 -7.534 -4.772 0.631 179 HA LYS 24 HA LYS 24 -7.759 -2.098 -0.427 180 HB2 LYS 24 1HB LYS 24 -10.125 -2.699 -0.954 181 HB3 LYS 24 2HB LYS 24 -8.850 -3.683 -1.690 182 HG2 LYS 24 1HG LYS 24 -9.363 -5.384 0.183 183 HG3 LYS 24 2HG LYS 24 -10.807 -4.426 0.501 184 HD2 LYS 24 1HD LYS 24 -11.487 -6.193 -0.886 185 HD3 LYS 24 2HD LYS 24 -11.422 -4.817 -1.983 186 HE2 LYS 24 1HE LYS 24 -8.914 -6.474 -1.718 187 HE3 LYS 24 2HE LYS 24 -10.300 -7.310 -2.397 188 HZ1 LYS 24 3HZ LYS 24 -8.955 -6.355 -4.099 189 HZ2 LYS 24 1HZ LYS 24 -9.128 -4.845 -3.524 190 HZ3 LYS 24 2HZ LYS 24 -10.441 -5.658 -4.128 191 H LYS 25 H LYS 25 -9.329 -3.600 2.336 192 HA LYS 25 HA LYS 25 -10.720 -1.286 3.319 193 HB2 LYS 25 1HB LYS 25 -9.447 -3.630 4.792 194 HB3 LYS 25 2HB LYS 25 -10.250 -2.288 5.614 195 HG2 LYS 25 1HG LYS 25 -12.293 -2.732 4.131 196 HG3 LYS 25 2HG LYS 25 -11.517 -4.264 3.674 197 HD2 LYS 25 1HD LYS 25 -11.467 -4.990 5.999 198 HD3 LYS 25 2HD LYS 25 -11.963 -3.374 6.545 199 HE2 LYS 25 1HE LYS 25 -14.128 -3.644 5.332 200 HE3 LYS 25 2HE LYS 25 -13.676 -5.321 4.970 201 HZ1 LYS 25 3HZ LYS 25 -13.540 -5.722 7.340 202 HZ2 LYS 25 1HZ LYS 25 -15.049 -5.189 6.933 203 HZ3 LYS 25 2HZ LYS 25 -14.004 -4.177 7.682 204 H ALA 26 H ALA 26 -7.306 -2.282 4.100 205 HA ALA 26 HA ALA 26 -6.762 -0.109 5.786 206 HB1 ALA 26 1HB ALA 26 -4.848 -1.665 3.995 207 HB2 ALA 26 2HB ALA 26 -4.389 -0.627 5.355 208 HB3 ALA 26 3HB ALA 26 -5.334 -2.099 5.649 209 H TYR 27 H TYR 27 -6.203 -0.465 2.286 210 HA TYR 27 HA TYR 27 -5.092 1.997 1.667 211 HB2 TYR 27 1HB TYR 27 -5.338 0.187 0.037 212 HB3 TYR 27 2HB TYR 27 -7.082 0.383 0.016 213 HD1 TYR 27 1HD TYR 27 -3.893 1.777 -1.059 214 HD2 TYR 27 2HD TYR 27 -8.122 2.428 -0.984 215 HE1 TYR 27 1HE TYR 27 -3.603 3.598 -2.718 216 HE2 TYR 27 2HE TYR 27 -7.886 4.186 -2.735 217 HH TYR 27 HH TYR 27 -4.811 5.013 -4.321 218 H ARG 28 H ARG 28 -8.686 1.251 1.803 219 HA ARG 28 HA ARG 28 -9.605 3.816 1.159 220 HB2 ARG 28 1HB ARG 28 -10.710 1.775 3.134 221 HB3 ARG 28 2HB ARG 28 -11.537 3.210 2.671 222 HG2 ARG 28 1HG ARG 28 -11.248 2.276 0.203 223 HG3 ARG 28 2HG ARG 28 -10.994 0.738 1.057 224 HD2 ARG 28 1HD ARG 28 -13.121 1.338 2.389 225 HD3 ARG 28 2HD ARG 28 -13.397 2.583 1.178 226 HE ARG 28 HE ARG 28 -13.336 -0.377 0.776 227 HH11 ARG 28 1HH1 ARG 28 -14.236 2.738 -0.627 228 HH12 ARG 28 2HH1 ARG 28 -15.686 2.165 -1.380 229 HH21 ARG 28 1HH2 ARG 28 -15.277 -1.171 -0.195 230 HH22 ARG 28 2HH2 ARG 28 -16.088 -0.192 -1.371 231 H LYS 29 H LYS 29 -8.955 2.587 4.476 232 HA LYS 29 HA LYS 29 -9.525 5.178 5.615 233 HB2 LYS 29 1HB LYS 29 -8.939 4.138 7.780 234 HB3 LYS 29 2HB LYS 29 -10.148 3.296 6.846 235 HG2 LYS 29 1HG LYS 29 -8.995 1.477 7.521 236 HG3 LYS 29 2HG LYS 29 -8.134 1.792 6.039 237 HD2 LYS 29 1HD LYS 29 -6.426 1.394 7.542 238 HD3 LYS 29 2HD LYS 29 -6.480 3.162 7.497 239 HE2 LYS 29 1HE LYS 29 -7.011 3.343 9.663 240 HE3 LYS 29 2HE LYS 29 -8.392 2.273 9.470 241 HZ1 LYS 29 3HZ LYS 29 -6.910 1.390 11.081 242 HZ2 LYS 29 1HZ LYS 29 -5.615 1.462 10.080 243 HZ3 LYS 29 2HZ LYS 29 -6.865 0.391 9.807 244 H LEU 30 H LEU 30 -6.727 4.249 3.990 245 HA LEU 30 HA LEU 30 -5.140 6.245 5.523 246 HB2 LEU 30 1HB LEU 30 -4.324 3.953 3.780 247 HB3 LEU 30 2HB LEU 30 -3.191 5.240 4.219 248 HG LEU 30 HG LEU 30 -4.794 3.725 6.305 249 HD11 LEU 30 1HD1 LEU 30 -2.938 2.243 6.721 250 HD12 LEU 30 2HD1 LEU 30 -2.032 2.952 5.371 251 HD13 LEU 30 3HD1 LEU 30 -3.528 2.050 5.059 252 HD21 LEU 30 3HD2 LEU 30 -3.483 5.959 6.819 253 HD22 LEU 30 1HD2 LEU 30 -2.071 4.885 6.799 254 HD23 LEU 30 2HD2 LEU 30 -3.382 4.576 7.932 255 H ALA 31 H ALA 31 -6.198 5.345 2.220 256 HA ALA 31 HA ALA 31 -5.222 7.561 0.800 257 HB1 ALA 31 1HB ALA 31 -6.295 5.605 -0.256 258 HB2 ALA 31 2HB ALA 31 -7.840 6.001 0.521 259 HB3 ALA 31 3HB ALA 31 -7.167 7.085 -0.701 260 H LEU 32 H LEU 32 -8.278 7.169 2.659 261 HA LEU 32 HA LEU 32 -9.130 9.872 2.263 262 HB2 LEU 32 1HB LEU 32 -9.815 7.766 4.362 263 HB3 LEU 32 2HB LEU 32 -10.555 9.351 4.305 264 HG LEU 32 HG LEU 32 -10.764 7.219 2.147 265 HD11 LEU 32 1HD1 LEU 32 -12.725 8.370 4.165 266 HD12 LEU 32 2HD1 LEU 32 -12.143 6.698 4.055 267 HD13 LEU 32 3HD1 LEU 32 -13.229 7.373 2.811 268 HD21 LEU 32 3HD2 LEU 32 -11.978 10.007 2.162 269 HD22 LEU 32 1HD2 LEU 32 -12.397 8.696 1.041 270 HD23 LEU 32 2HD2 LEU 32 -10.779 9.379 1.009 271 H LYS 33 H LYS 33 -6.816 8.514 4.604 272 HA LYS 33 HA LYS 33 -6.976 10.789 6.408 273 HB2 LYS 33 1HB LYS 33 -6.229 8.596 7.236 274 HB3 LYS 33 2HB LYS 33 -4.904 8.549 6.072 275 HG2 LYS 33 1HG LYS 33 -3.575 9.955 7.242 276 HG3 LYS 33 2HG LYS 33 -4.926 11.011 7.656 277 HD2 LYS 33 1HD LYS 33 -4.077 10.135 9.688 278 HD3 LYS 33 2HD LYS 33 -5.669 9.440 9.399 279 HE2 LYS 33 1HE LYS 33 -4.619 7.340 8.599 280 HE3 LYS 33 2HE LYS 33 -3.020 8.068 8.794 281 HZ1 LYS 33 3HZ LYS 33 -3.480 8.327 11.148 282 HZ2 LYS 33 1HZ LYS 33 -3.499 6.754 10.681 283 HZ3 LYS 33 2HZ LYS 33 -4.933 7.539 10.971 284 H TYR 34 H TYR 34 -4.575 9.587 4.018 285 HA TYR 34 HA TYR 34 -3.046 12.054 4.109 286 HB2 TYR 34 1HB TYR 34 -2.799 9.583 2.364 287 HB3 TYR 34 2HB TYR 34 -1.578 10.829 2.588 288 HD1 TYR 34 1HD TYR 34 -1.134 11.323 5.287 289 HD2 TYR 34 2HD TYR 34 -2.435 7.579 3.628 290 HE1 TYR 34 1HE TYR 34 -0.097 10.131 7.169 291 HE2 TYR 34 2HE TYR 34 -1.408 6.388 5.450 292 HH TYR 34 HH TYR 34 0.715 7.652 7.722 293 H HIS 35 H HIS 35 -5.988 11.900 2.913 294 HA HIS 35 HA HIS 35 -5.694 12.470 0.145 295 HB2 HIS 35 1HB HIS 35 -7.811 12.078 1.817 296 HB3 HIS 35 2HB HIS 35 -7.865 13.830 1.765 297 HD1 HIS 35 1HD HIS 35 -8.938 14.811 -0.557 298 HD2 HIS 35 2HD HIS 35 -8.090 10.682 -0.458 299 HE1 HIS 35 1HE HIS 35 -9.876 13.863 -2.678 300 HA PRO 36 HA PRO 36 -3.600 16.288 0.714 301 HB2 PRO 36 1HB PRO 36 -3.976 17.584 -1.689 302 HB3 PRO 36 2HB PRO 36 -2.982 16.106 -1.490 303 HG2 PRO 36 1HG PRO 36 -5.883 16.274 -2.385 304 HG3 PRO 36 2HG PRO 36 -4.531 15.404 -3.185 305 HD2 PRO 36 1HD PRO 36 -6.226 14.111 -1.543 306 HD3 PRO 36 2HD PRO 36 -4.470 13.778 -1.484 307 H ASP 37 H ASP 37 -6.873 16.469 -0.403 308 HA ASP 37 HA ASP 37 -7.641 19.075 -0.162 309 HB2 ASP 37 1HB ASP 37 -8.844 16.799 -0.854 310 HB3 ASP 37 2HB ASP 37 -9.455 16.834 0.791 311 H LYS 38 H LYS 38 -7.192 16.799 2.502 312 HA LYS 38 HA LYS 38 -7.800 18.929 4.511 313 HB2 LYS 38 1HB LYS 38 -8.762 16.098 4.174 314 HB3 LYS 38 2HB LYS 38 -8.538 16.674 5.806 315 HG2 LYS 38 1HG LYS 38 -10.139 18.282 3.797 316 HG3 LYS 38 2HG LYS 38 -10.841 16.921 4.678 317 HD2 LYS 38 1HD LYS 38 -9.481 19.313 6.013 318 HD3 LYS 38 2HD LYS 38 -11.213 19.237 5.718 319 HE2 LYS 38 1HE LYS 38 -11.606 17.771 7.422 320 HE3 LYS 38 2HE LYS 38 -10.147 16.838 7.078 321 HZ1 LYS 38 3HZ LYS 38 -8.860 18.637 8.135 322 HZ2 LYS 38 1HZ LYS 38 -9.860 17.820 9.149 323 HZ3 LYS 38 2HZ LYS 38 -10.252 19.337 8.640 324 H ASN 39 H ASN 39 -5.229 17.294 3.265 325 HA ASN 39 HA ASN 39 -3.798 17.418 5.825 326 HB2 ASN 39 1HB ASN 39 -4.949 15.145 5.622 327 HB3 ASN 39 2HB ASN 39 -3.856 14.791 4.297 328 HD21 ASN 39 1HD2 ASN 39 -3.608 13.013 6.007 329 HD22 ASN 39 2HD2 ASN 39 -2.176 13.255 7.034 330 HA PRO 40 HA PRO 40 -2.163 18.576 1.591 331 HB2 PRO 40 1HB PRO 40 -0.948 21.005 2.230 332 HB3 PRO 40 2HB PRO 40 -2.658 20.798 1.783 333 HG2 PRO 40 1HG PRO 40 -1.498 20.977 4.554 334 HG3 PRO 40 2HG PRO 40 -2.952 21.795 3.898 335 HD2 PRO 40 1HD PRO 40 -3.198 19.561 5.381 336 HD3 PRO 40 2HD PRO 40 -4.209 19.784 3.912 337 H ASN 41 H ASN 41 -0.135 19.204 4.544 338 HA ASN 41 HA ASN 41 2.335 18.578 3.673 339 HB2 ASN 41 1HB ASN 41 2.831 18.494 5.891 340 HB3 ASN 41 2HB ASN 41 1.595 19.735 5.749 341 HD21 ASN 41 1HD2 ASN 41 -0.377 17.376 5.333 342 HD22 ASN 41 2HD2 ASN 41 -0.568 16.657 6.853 343 H GLU 42 H GLU 42 -0.044 16.197 3.455 344 HA GLU 42 HA GLU 42 2.082 14.149 3.587 345 HB2 GLU 42 1HB GLU 42 -0.681 13.836 4.819 346 HB3 GLU 42 2HB GLU 42 0.453 12.521 4.477 347 HG2 GLU 42 1HG GLU 42 2.160 13.591 5.914 348 HG3 GLU 42 2HG GLU 42 1.011 14.836 6.392 349 H GLY 43 H GLY 43 0.525 15.913 1.546 350 HA2 GLY 43 1HA GLY 43 -1.222 14.184 0.112 351 HA3 GLY 43 2HA GLY 43 -0.524 15.699 -0.474 352 H GLU 44 H GLU 44 2.302 14.597 -0.097 353 HA GLU 44 HA GLU 44 2.446 13.120 -2.672 354 HB2 GLU 44 1HB GLU 44 4.552 14.298 -0.848 355 HB3 GLU 44 2HB GLU 44 4.959 13.163 -2.135 356 HG2 GLU 44 1HG GLU 44 3.742 14.691 -3.766 357 HG3 GLU 44 2HG GLU 44 3.637 15.876 -2.450 358 H LYS 45 H LYS 45 2.668 12.470 0.787 359 HA LYS 45 HA LYS 45 3.798 9.858 0.703 360 HB2 LYS 45 1HB LYS 45 3.148 11.371 2.704 361 HB3 LYS 45 2HB LYS 45 1.522 10.706 2.540 362 HG2 LYS 45 1HG LYS 45 2.495 8.406 2.789 363 HG3 LYS 45 2HG LYS 45 4.077 9.145 3.109 364 HD2 LYS 45 1HD LYS 45 1.525 9.488 4.716 365 HD3 LYS 45 2HD LYS 45 2.947 8.547 5.200 366 HE2 LYS 45 1HE LYS 45 4.240 10.832 4.801 367 HE3 LYS 45 2HE LYS 45 2.639 11.566 4.974 368 HZ1 LYS 45 3HZ LYS 45 3.974 11.483 6.989 369 HZ2 LYS 45 1HZ LYS 45 3.856 9.843 7.056 370 HZ3 LYS 45 2HZ LYS 45 2.521 10.877 7.182 371 H PHE 46 H PHE 46 0.535 11.000 -0.050 372 HA PHE 46 HA PHE 46 -0.885 8.618 -0.224 373 HB2 PHE 46 1HB PHE 46 -1.431 11.163 -0.764 374 HB3 PHE 46 2HB PHE 46 -1.113 10.702 -2.404 375 HD1 PHE 46 2HD PHE 46 -2.534 7.732 -1.872 376 HD2 PHE 46 1HD PHE 46 -3.606 11.875 -1.441 377 HE1 PHE 46 2HE PHE 46 -4.882 7.150 -2.239 378 HE2 PHE 46 1HE PHE 46 -5.974 11.289 -1.874 379 HZ PHE 46 HZ PHE 46 -6.632 8.921 -2.226 380 H LYS 47 H LYS 47 1.432 10.018 -2.521 381 HA LYS 47 HA LYS 47 0.879 8.215 -4.648 382 HB2 LYS 47 1HB LYS 47 2.325 10.559 -4.302 383 HB3 LYS 47 2HB LYS 47 3.628 9.408 -4.569 384 HG2 LYS 47 1HG LYS 47 2.868 8.907 -6.750 385 HG3 LYS 47 2HG LYS 47 1.215 9.441 -6.412 386 HD2 LYS 47 1HD LYS 47 1.920 11.782 -6.251 387 HD3 LYS 47 2HD LYS 47 3.596 11.314 -6.626 388 HE2 LYS 47 1HE LYS 47 3.017 10.596 -8.825 389 HE3 LYS 47 2HE LYS 47 1.296 10.545 -8.448 390 HZ1 LYS 47 3HZ LYS 47 2.865 13.043 -8.585 391 HZ2 LYS 47 1HZ LYS 47 1.218 12.900 -8.420 392 HZ3 LYS 47 2HZ LYS 47 1.976 12.449 -9.811 393 H GLN 48 H GLN 48 2.991 7.788 -1.808 394 HA GLN 48 HA GLN 48 4.362 5.443 -2.833 395 HB2 GLN 48 1HB GLN 48 3.696 6.497 -0.021 396 HB3 GLN 48 2HB GLN 48 4.550 5.009 -0.326 397 HG2 GLN 48 1HG GLN 48 5.886 7.045 -1.853 398 HG3 GLN 48 2HG GLN 48 5.577 7.698 -0.243 399 HE21 GLN 48 1HE2 GLN 48 6.482 6.619 1.608 400 HE22 GLN 48 2HE2 GLN 48 7.608 5.275 1.493 401 H ILE 49 H ILE 49 1.254 6.140 -1.241 402 HA ILE 49 HA ILE 49 0.591 3.426 -0.609 403 HB ILE 49 HB ILE 49 -1.514 5.492 -1.295 404 HG12 ILE 49 1HG1 ILE 49 -0.031 5.393 1.355 405 HG13 ILE 49 2HG1 ILE 49 0.056 6.685 0.173 406 HG21 ILE 49 1HG2 ILE 49 -1.425 3.438 0.914 407 HG22 ILE 49 2HG2 ILE 49 -2.856 4.265 0.274 408 HG23 ILE 49 3HG2 ILE 49 -2.024 3.056 -0.715 409 HD11 ILE 49 3HD1 ILE 49 -2.531 6.837 0.380 410 HD12 ILE 49 1HD1 ILE 49 -2.315 5.917 1.881 411 HD13 ILE 49 2HD1 ILE 49 -1.509 7.497 1.669 412 H SER 50 H SER 50 -0.064 5.534 -3.456 413 HA SER 50 HA SER 50 -1.521 3.644 -4.982 414 HB2 SER 50 1HB SER 50 -1.041 6.160 -5.393 415 HB3 SER 50 2HB SER 50 0.270 5.480 -6.362 416 HG SER 50 HG SER 50 -1.130 4.968 -7.834 417 H GLN 51 H GLN 51 2.029 4.344 -5.065 418 HA GLN 51 HA GLN 51 2.721 2.458 -6.948 419 HB2 GLN 51 1HB GLN 51 4.113 4.292 -6.043 420 HB3 GLN 51 2HB GLN 51 4.366 3.397 -4.540 421 HG2 GLN 51 1HG GLN 51 5.105 2.165 -7.194 422 HG3 GLN 51 2HG GLN 51 6.167 3.385 -6.477 423 HE21 GLN 51 1HE2 GLN 51 6.391 0.408 -7.103 424 HE22 GLN 51 2HE2 GLN 51 6.904 -0.344 -5.635 425 H ALA 52 H ALA 52 2.341 1.930 -3.455 426 HA ALA 52 HA ALA 52 3.245 -0.828 -3.571 427 HB1 ALA 52 1HB ALA 52 1.763 0.840 -1.443 428 HB2 ALA 52 2HB ALA 52 2.360 -0.798 -1.164 429 HB3 ALA 52 3HB ALA 52 3.506 0.510 -1.492 430 H TYR 53 H TYR 53 0.056 0.741 -3.205 431 HA TYR 53 HA TYR 53 -1.391 -1.694 -2.952 432 HB2 TYR 53 1HB TYR 53 -2.180 0.526 -2.211 433 HB3 TYR 53 2HB TYR 53 -2.244 1.072 -3.884 434 HD1 TYR 53 2HD TYR 53 -3.669 -1.596 -1.597 435 HD2 TYR 53 1HD TYR 53 -4.235 0.906 -5.085 436 HE1 TYR 53 2HE TYR 53 -5.997 -2.357 -1.773 437 HE2 TYR 53 1HE TYR 53 -6.552 0.122 -5.297 438 HH TYR 53 HH TYR 53 -7.994 -1.712 -4.629 439 H GLU 54 H GLU 54 -0.095 -0.036 -5.774 440 HA GLU 54 HA GLU 54 -1.916 -1.019 -7.730 441 HB2 GLU 54 1HB GLU 54 -0.485 0.809 -8.286 442 HB3 GLU 54 2HB GLU 54 0.983 -0.112 -7.919 443 HG2 GLU 54 1HG GLU 54 0.712 -1.534 -9.802 444 HG3 GLU 54 2HG GLU 54 -0.974 -1.072 -10.023 445 H VAL 55 H VAL 55 1.299 -2.284 -6.741 446 HA VAL 55 HA VAL 55 1.343 -4.561 -8.364 447 HB VAL 55 HB VAL 55 2.555 -4.376 -5.555 448 HG11 VAL 55 1HG1 VAL 55 4.306 -5.799 -6.542 449 HG12 VAL 55 2HG1 VAL 55 2.722 -6.592 -6.652 450 HG13 VAL 55 3HG1 VAL 55 3.432 -5.831 -8.089 451 HG21 VAL 55 3HG2 VAL 55 3.518 -3.201 -8.157 452 HG22 VAL 55 1HG2 VAL 55 3.187 -2.336 -6.633 453 HG23 VAL 55 2HG2 VAL 55 4.543 -3.436 -6.727 454 H LEU 56 H LEU 56 0.007 -4.054 -5.141 455 HA LEU 56 HA LEU 56 -0.720 -6.839 -4.786 456 HB2 LEU 56 1HB LEU 56 -1.376 -4.331 -3.190 457 HB3 LEU 56 2HB LEU 56 -1.695 -5.980 -2.665 458 HG LEU 56 HG LEU 56 1.093 -4.873 -3.248 459 HD11 LEU 56 1HD1 LEU 56 -0.237 -5.473 -0.575 460 HD12 LEU 56 2HD1 LEU 56 0.073 -3.847 -1.240 461 HD13 LEU 56 3HD1 LEU 56 1.416 -4.913 -0.824 462 HD21 LEU 56 3HD2 LEU 56 1.842 -6.930 -2.081 463 HD22 LEU 56 1HD2 LEU 56 1.033 -7.303 -3.594 464 HD23 LEU 56 2HD2 LEU 56 0.173 -7.543 -2.052 465 H SER 57 H SER 57 -2.254 -4.438 -6.658 466 HA SER 57 HA SER 57 -4.956 -5.251 -5.788 467 HB2 SER 57 1HB SER 57 -3.922 -3.004 -7.549 468 HB3 SER 57 2HB SER 57 -5.643 -3.430 -7.435 469 HG SER 57 HG SER 57 -3.879 -2.552 -5.445 470 H ASP 58 H ASP 58 -2.937 -5.627 -8.769 471 HA ASP 58 HA ASP 58 -5.256 -7.072 -9.951 472 HB2 ASP 58 1HB ASP 58 -3.285 -5.808 -11.283 473 HB3 ASP 58 2HB ASP 58 -2.491 -7.341 -11.078 474 H ALA 59 H ALA 59 -5.196 -9.404 -10.160 475 HA ALA 59 HA ALA 59 -3.750 -10.766 -8.041 476 HB1 ALA 59 1HB ALA 59 -4.686 -12.786 -8.968 477 HB2 ALA 59 2HB ALA 59 -5.951 -11.550 -8.917 478 HB3 ALA 59 3HB ALA 59 -5.165 -11.965 -10.460 479 H LYS 60 H LYS 60 -3.406 -10.762 -11.671 480 HA LYS 60 HA LYS 60 -1.096 -12.338 -11.726 481 HB2 LYS 60 1HB LYS 60 -2.568 -10.588 -13.582 482 HB3 LYS 60 2HB LYS 60 -0.851 -10.543 -13.859 483 HG2 LYS 60 1HG LYS 60 -1.759 -12.275 -15.255 484 HG3 LYS 60 2HG LYS 60 -0.727 -12.982 -14.018 485 HD2 LYS 60 1HD LYS 60 -2.538 -14.444 -14.116 486 HD3 LYS 60 2HD LYS 60 -2.912 -13.467 -12.695 487 HE2 LYS 60 1HE LYS 60 -4.390 -12.035 -14.139 488 HE3 LYS 60 2HE LYS 60 -4.057 -13.101 -15.499 489 HZ1 LYS 60 3HZ LYS 60 -5.298 -13.992 -12.960 490 HZ2 LYS 60 1HZ LYS 60 -5.090 -14.919 -14.289 491 HZ3 LYS 60 2HZ LYS 60 -6.136 -13.656 -14.320 492 H LYS 61 H LYS 61 -1.240 -8.780 -11.222 493 HA LYS 61 HA LYS 61 1.639 -8.530 -11.165 494 HB2 LYS 61 1HB LYS 61 -0.499 -6.775 -9.851 495 HB3 LYS 61 2HB LYS 61 1.236 -6.407 -9.926 496 HG2 LYS 61 1HG LYS 61 1.091 -6.648 -12.426 497 HG3 LYS 61 2HG LYS 61 -0.658 -6.777 -12.276 498 HD2 LYS 61 1HD LYS 61 -0.195 -4.583 -12.958 499 HD3 LYS 61 2HD LYS 61 -0.666 -4.471 -11.245 500 HE2 LYS 61 1HE LYS 61 1.623 -4.152 -10.563 501 HE3 LYS 61 2HE LYS 61 2.246 -4.646 -12.141 502 HZ1 LYS 61 3HZ LYS 61 0.524 -2.282 -11.957 503 HZ2 LYS 61 1HZ LYS 61 1.635 -2.635 -13.087 504 HZ3 LYS 61 2HZ LYS 61 2.128 -2.176 -11.591 505 H ARG 62 H ARG 62 -0.758 -8.944 -8.485 506 HA ARG 62 HA ARG 62 1.206 -9.241 -6.487 507 HB2 ARG 62 1HB ARG 62 -1.157 -9.035 -5.904 508 HB3 ARG 62 2HB ARG 62 -1.507 -10.621 -6.585 509 HG2 ARG 62 1HG ARG 62 -0.191 -11.770 -4.981 510 HG3 ARG 62 2HG ARG 62 0.568 -10.288 -4.394 511 HD2 ARG 62 1HD ARG 62 -1.119 -9.768 -3.000 512 HD3 ARG 62 2HD ARG 62 -2.385 -10.423 -4.064 513 HE ARG 62 HE ARG 62 -0.528 -11.972 -2.300 514 HH11 ARG 62 1HH1 ARG 62 -3.672 -11.828 -3.959 515 HH12 ARG 62 2HH1 ARG 62 -4.064 -13.487 -3.678 516 HH21 ARG 62 1HH2 ARG 62 -1.055 -14.175 -1.898 517 HH22 ARG 62 2HH2 ARG 62 -2.617 -14.795 -2.312 518 H GLU 63 H GLU 63 0.081 -11.756 -8.773 519 HA GLU 63 HA GLU 63 1.339 -13.983 -7.635 520 HB2 GLU 63 1HB GLU 63 0.818 -13.263 -10.542 521 HB3 GLU 63 2HB GLU 63 1.550 -14.784 -10.071 522 HG2 GLU 63 1HG GLU 63 -0.408 -15.342 -8.681 523 HG3 GLU 63 2HG GLU 63 -1.202 -13.856 -9.166 524 H LEU 64 H LEU 64 2.824 -11.324 -9.492 525 HA LEU 64 HA LEU 64 5.361 -12.725 -9.814 526 HB2 LEU 64 1HB LEU 64 4.967 -9.710 -9.851 527 HB3 LEU 64 2HB LEU 64 6.277 -10.660 -10.551 528 HG LEU 64 HG LEU 64 3.445 -10.266 -11.524 529 HD11 LEU 64 1HD1 LEU 64 6.182 -9.850 -12.818 530 HD12 LEU 64 2HD1 LEU 64 5.204 -8.579 -12.060 531 HD13 LEU 64 3HD1 LEU 64 4.595 -9.401 -13.496 532 HD21 LEU 64 3HD2 LEU 64 4.165 -11.866 -13.384 533 HD22 LEU 64 1HD2 LEU 64 3.774 -12.585 -11.814 534 HD23 LEU 64 2HD2 LEU 64 5.472 -12.369 -12.254 535 H TYR 65 H TYR 65 4.174 -10.080 -7.783 536 HA TYR 65 HA TYR 65 6.349 -9.567 -6.157 537 HB2 TYR 65 1HB TYR 65 4.528 -8.109 -6.202 538 HB3 TYR 65 2HB TYR 65 3.354 -9.370 -5.868 539 HD1 TYR 65 2HD TYR 65 6.136 -7.420 -4.341 540 HD2 TYR 65 1HD TYR 65 2.684 -9.914 -3.663 541 HE1 TYR 65 2HE TYR 65 6.194 -6.850 -1.968 542 HE2 TYR 65 1HE TYR 65 2.727 -9.380 -1.259 543 HH TYR 65 HH TYR 65 5.347 -7.313 0.121 544 H ASP 66 H ASP 66 3.908 -12.099 -5.744 545 HA ASP 66 HA ASP 66 4.479 -13.117 -3.202 546 HB2 ASP 66 1HB ASP 66 2.679 -13.858 -4.715 547 HB3 ASP 66 2HB ASP 66 3.855 -14.579 -5.804 548 H LYS 67 H LYS 67 6.196 -13.672 -6.234 549 HA LYS 67 HA LYS 67 8.338 -15.198 -4.827 550 HB2 LYS 67 1HB LYS 67 8.942 -16.106 -7.005 551 HB3 LYS 67 2HB LYS 67 7.321 -16.546 -6.500 552 HG2 LYS 67 1HG LYS 67 6.287 -15.019 -8.032 553 HG3 LYS 67 2HG LYS 67 7.828 -14.216 -8.382 554 HD2 LYS 67 1HD LYS 67 7.379 -17.151 -8.998 555 HD3 LYS 67 2HD LYS 67 6.902 -15.880 -10.138 556 HE2 LYS 67 1HE LYS 67 9.095 -15.105 -10.468 557 HE3 LYS 67 2HE LYS 67 9.689 -15.841 -8.967 558 HZ1 LYS 67 3HZ LYS 67 9.296 -18.032 -10.042 559 HZ2 LYS 67 1HZ LYS 67 10.491 -17.152 -10.745 560 HZ3 LYS 67 2HZ LYS 67 9.051 -17.253 -11.488 561 H GLY 68 H GLY 68 7.849 -12.099 -5.475 562 HA2 GLY 68 1HA GLY 68 9.400 -10.361 -5.503 563 HA3 GLY 68 2HA GLY 68 10.699 -11.534 -5.836 564 H GLY 69 H GLY 69 8.050 -9.626 -7.348 565 HA2 GLY 69 1HA GLY 69 8.522 -10.594 -9.979 566 HA3 GLY 69 2HA GLY 69 7.578 -9.165 -9.504 567 H GLU 70 H GLU 70 10.392 -8.271 -8.157 568 HA GLU 70 HA GLU 70 11.746 -7.482 -10.627 569 HB2 GLU 70 1HB GLU 70 11.440 -5.091 -10.244 570 HB3 GLU 70 2HB GLU 70 9.871 -5.906 -10.471 571 HG2 GLU 70 1HG GLU 70 9.413 -5.783 -8.078 572 HG3 GLU 70 2HG GLU 70 11.051 -5.234 -7.717 573 H GLN 71 H GLN 71 12.078 -8.489 -7.718 574 HA GLN 71 HA GLN 71 13.823 -8.754 -6.229 575 HB2 GLN 71 1HB GLN 71 15.475 -6.643 -7.607 576 HB3 GLN 71 2HB GLN 71 16.016 -7.877 -6.496 577 HG2 GLN 71 1HG GLN 71 16.079 -9.523 -8.109 578 HG3 GLN 71 2HG GLN 71 14.741 -8.864 -9.057 579 HE21 GLN 71 1HE2 GLN 71 15.223 -6.529 -9.925 580 HE22 GLN 71 2HE2 GLN 71 16.771 -6.336 -10.728 Start of MODEL 17 1 H1 GLY 1 H GLY 1 13.472 2.929 13.620 2 HA2 GLY 1 1HA GLY 1 16.122 3.829 14.578 3 HA3 GLY 1 2HA GLY 1 15.773 2.181 14.040 4 H MET 2 H MET 2 16.400 1.749 11.983 5 HA MET 2 HA MET 2 16.245 3.883 9.933 6 HB2 MET 2 1HB MET 2 18.523 3.170 9.199 7 HB3 MET 2 2HB MET 2 18.462 4.066 10.704 8 HG2 MET 2 1HG MET 2 18.503 1.062 10.841 9 HG3 MET 2 2HG MET 2 19.959 1.919 10.380 10 HE1 MET 2 3HE MET 2 18.984 0.879 14.486 11 HE2 MET 2 1HE MET 2 17.522 1.192 13.535 12 HE3 MET 2 2HE MET 2 18.754 0.086 12.913 13 H VAL 3 H VAL 3 14.585 1.382 10.503 14 HA VAL 3 HA VAL 3 15.082 -0.135 8.020 15 HB VAL 3 HB VAL 3 12.809 -0.260 10.050 16 HG11 VAL 3 1HG1 VAL 3 12.028 -0.922 7.848 17 HG12 VAL 3 2HG1 VAL 3 13.455 -1.951 7.587 18 HG13 VAL 3 3HG1 VAL 3 12.247 -2.366 8.818 19 HG21 VAL 3 3HG2 VAL 3 13.829 -2.443 10.664 20 HG22 VAL 3 1HG2 VAL 3 15.188 -2.119 9.559 21 HG23 VAL 3 2HG2 VAL 3 14.927 -1.111 11.000 22 H LYS 4 H LYS 4 14.685 1.070 6.211 23 HA LYS 4 HA LYS 4 11.990 2.211 5.876 24 HB2 LYS 4 1HB LYS 4 12.917 4.156 4.648 25 HB3 LYS 4 2HB LYS 4 13.217 4.185 6.373 26 HG2 LYS 4 1HG LYS 4 15.370 3.013 4.619 27 HG3 LYS 4 2HG LYS 4 15.125 4.744 4.540 28 HD2 LYS 4 1HD LYS 4 15.269 3.703 7.314 29 HD3 LYS 4 2HD LYS 4 16.720 3.483 6.345 30 HE2 LYS 4 1HE LYS 4 16.845 5.547 7.597 31 HE3 LYS 4 2HE LYS 4 16.841 5.870 5.861 32 HZ1 LYS 4 3HZ LYS 4 14.605 6.607 6.013 33 HZ2 LYS 4 1HZ LYS 4 15.462 7.356 7.190 34 HZ3 LYS 4 2HZ LYS 4 14.461 6.126 7.605 35 H GLU 5 H GLU 5 13.403 -0.280 5.163 36 HA GLU 5 HA GLU 5 13.176 -0.294 2.246 37 HB2 GLU 5 1HB GLU 5 15.213 -1.776 2.174 38 HB3 GLU 5 2HB GLU 5 15.490 -0.051 2.380 39 HG2 GLU 5 1HG GLU 5 15.901 -0.371 4.807 40 HG3 GLU 5 2HG GLU 5 15.686 -2.110 4.612 41 H THR 6 H THR 6 11.116 -1.061 2.785 42 HA THR 6 HA THR 6 10.993 -3.814 3.747 43 HB THR 6 HB THR 6 9.004 -1.728 4.683 44 HG1 THR 6 1HG THR 6 10.198 -1.051 6.232 45 HG21 THR 6 3HG2 THR 6 8.468 -4.127 4.979 46 HG22 THR 6 1HG2 THR 6 8.752 -3.361 6.556 47 HG23 THR 6 2HG2 THR 6 10.014 -4.372 5.817 48 H THR 7 H THR 7 9.131 -4.877 2.898 49 HA THR 7 HA THR 7 8.521 -4.015 0.217 50 HB THR 7 HB THR 7 8.738 -6.386 1.072 51 HG1 THR 7 1HG THR 7 8.002 -5.918 -0.959 52 HG21 THR 7 3HG2 THR 7 7.080 -6.039 2.997 53 HG22 THR 7 1HG2 THR 7 6.833 -7.505 1.985 54 HG23 THR 7 2HG2 THR 7 5.821 -6.046 1.751 55 H TYR 8 H TYR 8 6.367 -4.210 -0.464 56 HA TYR 8 HA TYR 8 5.076 -1.795 0.057 57 HB2 TYR 8 1HB TYR 8 4.013 -4.300 -1.332 58 HB3 TYR 8 2HB TYR 8 3.213 -2.735 -1.461 59 HD1 TYR 8 1HD TYR 8 5.558 -0.859 -1.673 60 HD2 TYR 8 2HD TYR 8 4.832 -4.675 -3.586 61 HE1 TYR 8 1HE TYR 8 6.962 -0.207 -3.528 62 HE2 TYR 8 2HE TYR 8 6.344 -4.019 -5.422 63 HH TYR 8 HH TYR 8 7.693 -2.313 -6.291 64 H TYR 9 H TYR 9 4.354 -4.707 1.757 65 HA TYR 9 HA TYR 9 1.836 -4.015 2.857 66 HB2 TYR 9 1HB TYR 9 4.236 -5.572 3.920 67 HB3 TYR 9 2HB TYR 9 2.643 -5.530 4.719 68 HD1 TYR 9 1HD TYR 9 0.642 -5.854 2.716 69 HD2 TYR 9 2HD TYR 9 4.573 -7.652 2.838 70 HE1 TYR 9 1HE TYR 9 -0.072 -7.570 1.095 71 HE2 TYR 9 2HE TYR 9 3.853 -9.345 1.220 72 HH TYR 9 HH TYR 9 2.123 -10.021 -0.275 73 H ASP 10 H ASP 10 5.171 -3.173 3.958 74 HA ASP 10 HA ASP 10 4.317 -2.264 6.462 75 HB2 ASP 10 1HB ASP 10 6.746 -2.627 5.575 76 HB3 ASP 10 2HB ASP 10 6.691 -0.937 5.152 77 H VAL 11 H VAL 11 4.958 -0.387 3.495 78 HA VAL 11 HA VAL 11 4.532 2.149 4.374 79 HB VAL 11 HB VAL 11 3.985 0.738 1.741 80 HG11 VAL 11 1HG1 VAL 11 3.799 3.763 2.092 81 HG12 VAL 11 2HG1 VAL 11 3.888 2.883 0.541 82 HG13 VAL 11 3HG1 VAL 11 2.491 2.675 1.585 83 HG21 VAL 11 3HG2 VAL 11 6.026 2.901 2.008 84 HG22 VAL 11 1HG2 VAL 11 6.362 1.407 2.851 85 HG23 VAL 11 2HG2 VAL 11 6.062 1.349 1.105 86 H LEU 12 H LEU 12 2.155 -0.279 3.507 87 HA LEU 12 HA LEU 12 -0.040 1.611 3.408 88 HB2 LEU 12 1HB LEU 12 0.182 -1.418 3.142 89 HB3 LEU 12 2HB LEU 12 -1.339 -0.557 2.930 90 HG LEU 12 HG LEU 12 1.161 0.048 1.284 91 HD11 LEU 12 1HD1 LEU 12 -1.259 -1.520 0.390 92 HD12 LEU 12 2HD1 LEU 12 0.243 -2.298 0.973 93 HD13 LEU 12 3HD1 LEU 12 0.275 -1.291 -0.465 94 HD21 LEU 12 3HD2 LEU 12 -1.769 0.864 1.042 95 HD22 LEU 12 1HD2 LEU 12 -0.553 1.074 -0.237 96 HD23 LEU 12 2HD2 LEU 12 -0.351 1.918 1.294 97 H GLY 13 H GLY 13 1.492 0.790 6.053 98 HA2 GLY 13 1HA GLY 13 0.930 0.555 8.265 99 HA3 GLY 13 2HA GLY 13 -0.664 1.228 7.850 100 H VAL 14 H VAL 14 0.613 -1.743 6.366 101 HA VAL 14 HA VAL 14 -1.214 -3.350 8.042 102 HB VAL 14 HB VAL 14 -1.990 -2.804 5.628 103 HG11 VAL 14 1HG1 VAL 14 0.015 -3.391 4.376 104 HG12 VAL 14 2HG1 VAL 14 -0.067 -5.067 4.955 105 HG13 VAL 14 3HG1 VAL 14 -1.336 -4.420 3.905 106 HG21 VAL 14 3HG2 VAL 14 -3.096 -4.988 5.485 107 HG22 VAL 14 1HG2 VAL 14 -2.006 -5.604 6.749 108 HG23 VAL 14 2HG2 VAL 14 -3.140 -4.295 7.110 109 H LYS 15 H LYS 15 -0.428 -5.416 8.520 110 HA LYS 15 HA LYS 15 2.484 -5.690 8.565 111 HB2 LYS 15 1HB LYS 15 1.727 -8.033 9.492 112 HB3 LYS 15 2HB LYS 15 1.668 -6.576 10.472 113 HG2 LYS 15 1HG LYS 15 -0.241 -8.030 10.792 114 HG3 LYS 15 2HG LYS 15 -0.702 -6.413 10.279 115 HD2 LYS 15 1HD LYS 15 -1.140 -7.259 8.005 116 HD3 LYS 15 2HD LYS 15 -0.603 -8.866 8.485 117 HE2 LYS 15 1HE LYS 15 -2.831 -7.461 9.986 118 HE3 LYS 15 2HE LYS 15 -3.184 -8.199 8.422 119 HZ1 LYS 15 3HZ LYS 15 -2.646 -10.292 9.203 120 HZ2 LYS 15 1HZ LYS 15 -3.578 -9.616 10.379 121 HZ3 LYS 15 2HZ LYS 15 -1.958 -9.749 10.607 122 HA PRO 16 HA PRO 16 2.813 -8.062 4.861 123 HB2 PRO 16 1HB PRO 16 4.606 -10.085 5.431 124 HB3 PRO 16 2HB PRO 16 5.068 -8.367 5.185 125 HG2 PRO 16 1HG PRO 16 4.533 -9.791 7.801 126 HG3 PRO 16 2HG PRO 16 5.930 -8.742 7.381 127 HD2 PRO 16 1HD PRO 16 3.850 -7.755 8.763 128 HD3 PRO 16 2HD PRO 16 4.597 -6.782 7.466 129 H ASN 17 H ASN 17 1.790 -9.694 7.767 130 HA ASN 17 HA ASN 17 0.808 -12.105 6.444 131 HB2 ASN 17 1HB ASN 17 0.651 -11.032 9.296 132 HB3 ASN 17 2HB ASN 17 -0.121 -12.528 8.766 133 HD21 ASN 17 1HD2 ASN 17 1.070 -13.977 9.958 134 HD22 ASN 17 2HD2 ASN 17 2.693 -14.413 9.420 135 H ALA 18 H ALA 18 -0.248 -9.882 5.221 136 HA ALA 18 HA ALA 18 -3.069 -9.578 6.156 137 HB1 ALA 18 1HB ALA 18 -3.133 -7.653 4.627 138 HB2 ALA 18 2HB ALA 18 -1.751 -7.528 5.722 139 HB3 ALA 18 3HB ALA 18 -1.497 -8.038 4.042 140 H THR 19 H THR 19 -4.827 -9.636 4.548 141 HA THR 19 HA THR 19 -4.403 -11.424 2.245 142 HB THR 19 HB THR 19 -7.065 -11.364 2.578 143 HG1 THR 19 1HG THR 19 -7.627 -11.169 4.693 144 HG21 THR 19 3HG2 THR 19 -6.881 -13.356 3.994 145 HG22 THR 19 1HG2 THR 19 -5.302 -12.820 4.601 146 HG23 THR 19 2HG2 THR 19 -5.472 -13.359 2.926 147 H GLN 20 H GLN 20 -6.013 -10.797 0.339 148 HA GLN 20 HA GLN 20 -5.262 -8.177 -0.577 149 HB2 GLN 20 1HB GLN 20 -7.514 -10.016 -1.512 150 HB3 GLN 20 2HB GLN 20 -6.917 -8.630 -2.404 151 HG2 GLN 20 1HG GLN 20 -5.095 -10.983 -1.744 152 HG3 GLN 20 2HG GLN 20 -6.187 -10.983 -3.117 153 HE21 GLN 20 1HE2 GLN 20 -4.139 -8.198 -1.865 154 HE22 GLN 20 2HE2 GLN 20 -3.435 -8.013 -3.451 155 H GLU 21 H GLU 21 -8.090 -9.484 1.032 156 HA GLU 21 HA GLU 21 -9.800 -7.244 0.710 157 HB2 GLU 21 1HB GLU 21 -9.835 -9.333 2.931 158 HB3 GLU 21 2HB GLU 21 -11.172 -8.315 2.345 159 HG2 GLU 21 1HG GLU 21 -10.777 -9.317 0.046 160 HG3 GLU 21 2HG GLU 21 -9.769 -10.544 0.836 161 H GLU 22 H GLU 22 -7.490 -8.192 3.256 162 HA GLU 22 HA GLU 22 -7.964 -6.004 5.019 163 HB2 GLU 22 1HB GLU 22 -5.622 -7.900 4.584 164 HB3 GLU 22 2HB GLU 22 -5.611 -6.666 5.839 165 HG2 GLU 22 1HG GLU 22 -7.822 -8.758 5.564 166 HG3 GLU 22 2HG GLU 22 -6.394 -8.963 6.573 167 H LEU 23 H LEU 23 -5.743 -6.431 2.163 168 HA LEU 23 HA LEU 23 -4.442 -3.964 2.429 169 HB2 LEU 23 1HB LEU 23 -5.043 -5.845 0.161 170 HB3 LEU 23 2HB LEU 23 -4.636 -4.205 -0.282 171 HG LEU 23 HG LEU 23 -2.746 -5.730 -0.313 172 HD11 LEU 23 1HD1 LEU 23 -1.156 -4.256 0.906 173 HD12 LEU 23 2HD1 LEU 23 -2.488 -3.497 1.753 174 HD13 LEU 23 3HD1 LEU 23 -2.367 -3.351 -0.016 175 HD21 LEU 23 3HD2 LEU 23 -1.647 -6.328 1.861 176 HD22 LEU 23 1HD2 LEU 23 -3.080 -7.257 1.416 177 HD23 LEU 23 2HD2 LEU 23 -3.171 -5.972 2.663 178 H LYS 24 H LYS 24 -7.507 -4.653 0.625 179 HA LYS 24 HA LYS 24 -7.824 -1.881 -0.036 180 HB2 LYS 24 1HB LYS 24 -10.282 -2.462 -0.360 181 HB3 LYS 24 2HB LYS 24 -9.022 -3.123 -1.410 182 HG2 LYS 24 1HG LYS 24 -9.263 -5.262 0.027 183 HG3 LYS 24 2HG LYS 24 -10.769 -4.543 0.592 184 HD2 LYS 24 1HD LYS 24 -11.339 -5.956 -1.254 185 HD3 LYS 24 2HD LYS 24 -11.426 -4.306 -1.875 186 HE2 LYS 24 1HE LYS 24 -8.724 -5.182 -2.272 187 HE3 LYS 24 2HE LYS 24 -9.727 -6.570 -2.700 188 HZ1 LYS 24 3HZ LYS 24 -10.807 -5.263 -4.359 189 HZ2 LYS 24 1HZ LYS 24 -9.205 -5.044 -4.544 190 HZ3 LYS 24 2HZ LYS 24 -10.116 -3.859 -3.833 191 H LYS 25 H LYS 25 -9.178 -3.675 2.691 192 HA LYS 25 HA LYS 25 -10.447 -1.497 4.018 193 HB2 LYS 25 1HB LYS 25 -9.041 -3.960 5.096 194 HB3 LYS 25 2HB LYS 25 -9.814 -2.787 6.145 195 HG2 LYS 25 1HG LYS 25 -11.669 -3.509 4.024 196 HG3 LYS 25 2HG LYS 25 -11.027 -4.965 4.793 197 HD2 LYS 25 1HD LYS 25 -11.635 -4.012 7.037 198 HD3 LYS 25 2HD LYS 25 -12.330 -2.605 6.202 199 HE2 LYS 25 1HE LYS 25 -13.980 -4.069 5.086 200 HE3 LYS 25 2HE LYS 25 -13.249 -5.482 5.851 201 HZ1 LYS 25 3HZ LYS 25 -15.166 -4.824 7.096 202 HZ2 LYS 25 1HZ LYS 25 -14.609 -3.270 7.262 203 HZ3 LYS 25 2HZ LYS 25 -13.842 -4.549 7.996 204 H ALA 26 H ALA 26 -6.952 -2.462 4.255 205 HA ALA 26 HA ALA 26 -6.276 -0.445 6.143 206 HB1 ALA 26 1HB ALA 26 -4.510 -1.949 4.163 207 HB2 ALA 26 2HB ALA 26 -3.943 -1.000 5.551 208 HB3 ALA 26 3HB ALA 26 -4.910 -2.462 5.817 209 H TYR 27 H TYR 27 -6.343 -0.501 2.619 210 HA TYR 27 HA TYR 27 -4.967 1.968 2.158 211 HB2 TYR 27 1HB TYR 27 -5.272 0.315 0.363 212 HB3 TYR 27 2HB TYR 27 -7.015 0.504 0.437 213 HD1 TYR 27 2HD TYR 27 -3.824 2.168 -0.435 214 HD2 TYR 27 1HD TYR 27 -8.106 2.433 -0.505 215 HE1 TYR 27 2HE TYR 27 -3.662 4.250 -1.814 216 HE2 TYR 27 1HE TYR 27 -7.964 4.423 -1.967 217 HH TYR 27 HH TYR 27 -6.596 6.013 -2.983 218 H ARG 28 H ARG 28 -8.513 1.154 2.297 219 HA ARG 28 HA ARG 28 -9.432 3.745 1.844 220 HB2 ARG 28 1HB ARG 28 -10.639 1.374 3.325 221 HB3 ARG 28 2HB ARG 28 -11.474 2.915 3.196 222 HG2 ARG 28 1HG ARG 28 -10.916 2.661 0.609 223 HG3 ARG 28 2HG ARG 28 -10.807 0.954 0.995 224 HD2 ARG 28 1HD ARG 28 -13.225 2.678 1.693 225 HD3 ARG 28 2HD ARG 28 -13.045 1.913 0.129 226 HE ARG 28 HE ARG 28 -13.480 0.573 2.740 227 HH11 ARG 28 1HH1 ARG 28 -13.385 0.257 -0.868 228 HH12 ARG 28 2HH1 ARG 28 -13.938 -1.361 -0.823 229 HH21 ARG 28 1HH2 ARG 28 -14.559 -1.437 2.666 230 HH22 ARG 28 2HH2 ARG 28 -14.955 -2.162 1.125 231 H LYS 29 H LYS 29 -8.777 2.309 5.102 232 HA LYS 29 HA LYS 29 -9.549 4.646 6.521 233 HB2 LYS 29 1HB LYS 29 -8.421 3.708 8.441 234 HB3 LYS 29 2HB LYS 29 -9.220 2.395 7.564 235 HG2 LYS 29 1HG LYS 29 -7.083 1.842 6.472 236 HG3 LYS 29 2HG LYS 29 -6.274 3.132 7.358 237 HD2 LYS 29 1HD LYS 29 -7.355 1.554 9.390 238 HD3 LYS 29 2HD LYS 29 -6.933 0.396 8.099 239 HE2 LYS 29 1HE LYS 29 -5.000 0.550 9.495 240 HE3 LYS 29 2HE LYS 29 -4.643 1.399 7.988 241 HZ1 LYS 29 3HZ LYS 29 -3.836 2.622 9.822 242 HZ2 LYS 29 1HZ LYS 29 -5.264 2.662 10.601 243 HZ3 LYS 29 2HZ LYS 29 -5.094 3.487 9.200 244 H LEU 30 H LEU 30 -6.586 4.124 4.664 245 HA LEU 30 HA LEU 30 -5.206 6.327 6.072 246 HB2 LEU 30 1HB LEU 30 -4.304 4.339 4.016 247 HB3 LEU 30 2HB LEU 30 -3.296 5.666 4.575 248 HG LEU 30 HG LEU 30 -4.412 3.497 6.386 249 HD11 LEU 30 1HD1 LEU 30 -2.859 2.532 4.792 250 HD12 LEU 30 2HD1 LEU 30 -2.122 2.599 6.402 251 HD13 LEU 30 3HD1 LEU 30 -1.649 3.779 5.163 252 HD21 LEU 30 3HD2 LEU 30 -2.072 5.293 7.034 253 HD22 LEU 30 1HD2 LEU 30 -3.009 4.276 8.113 254 HD23 LEU 30 2HD2 LEU 30 -3.713 5.778 7.471 255 H ALA 31 H ALA 31 -6.515 5.475 2.835 256 HA ALA 31 HA ALA 31 -5.728 7.870 1.519 257 HB1 ALA 31 1HB ALA 31 -8.170 6.089 1.094 258 HB2 ALA 31 2HB ALA 31 -7.545 7.291 -0.057 259 HB3 ALA 31 3HB ALA 31 -6.566 5.866 0.361 260 H LEU 32 H LEU 32 -8.601 7.088 3.500 261 HA LEU 32 HA LEU 32 -9.928 9.586 3.181 262 HB2 LEU 32 1HB LEU 32 -9.955 7.399 5.291 263 HB3 LEU 32 2HB LEU 32 -10.884 8.862 5.540 264 HG LEU 32 HG LEU 32 -11.204 7.297 2.961 265 HD11 LEU 32 1HD1 LEU 32 -12.705 6.822 5.563 266 HD12 LEU 32 2HD1 LEU 32 -11.614 5.682 4.747 267 HD13 LEU 32 3HD1 LEU 32 -13.144 6.152 3.972 268 HD21 LEU 32 3HD2 LEU 32 -12.158 9.595 3.084 269 HD22 LEU 32 1HD2 LEU 32 -13.080 9.139 4.524 270 HD23 LEU 32 2HD2 LEU 32 -13.427 8.374 2.956 271 H LYS 33 H LYS 33 -6.974 8.900 4.956 272 HA LYS 33 HA LYS 33 -7.224 11.280 6.677 273 HB2 LYS 33 1HB LYS 33 -5.649 8.740 6.596 274 HB3 LYS 33 2HB LYS 33 -4.642 10.114 6.818 275 HG2 LYS 33 1HG LYS 33 -5.547 10.785 8.770 276 HG3 LYS 33 2HG LYS 33 -7.122 9.997 8.507 277 HD2 LYS 33 1HD LYS 33 -6.419 7.944 9.256 278 HD3 LYS 33 2HD LYS 33 -4.718 8.225 8.815 279 HE2 LYS 33 1HE LYS 33 -5.189 8.231 11.317 280 HE3 LYS 33 2HE LYS 33 -4.292 9.593 10.647 281 HZ1 LYS 33 3HZ LYS 33 -5.880 10.409 12.147 282 HZ2 LYS 33 1HZ LYS 33 -7.148 9.637 11.432 283 HZ3 LYS 33 2HZ LYS 33 -6.380 10.870 10.667 284 H TYR 34 H TYR 34 -4.947 9.806 4.364 285 HA TYR 34 HA TYR 34 -3.423 12.152 4.276 286 HB2 TYR 34 1HB TYR 34 -3.286 9.552 2.709 287 HB3 TYR 34 2HB TYR 34 -2.071 10.815 2.563 288 HD1 TYR 34 1HD TYR 34 -1.273 11.806 4.984 289 HD2 TYR 34 2HD TYR 34 -2.654 7.795 4.223 290 HE1 TYR 34 1HE TYR 34 -0.017 11.011 6.909 291 HE2 TYR 34 2HE TYR 34 -1.322 6.985 6.120 292 HH TYR 34 HH TYR 34 -0.484 7.946 8.353 293 H HIS 35 H HIS 35 -6.246 12.331 3.115 294 HA HIS 35 HA HIS 35 -6.050 12.467 0.273 295 HB2 HIS 35 1HB HIS 35 -8.104 12.303 2.090 296 HB3 HIS 35 2HB HIS 35 -8.147 14.034 1.779 297 HD1 HIS 35 1HD HIS 35 -9.817 14.520 -0.239 298 HD2 HIS 35 2HD HIS 35 -7.948 10.735 -0.325 299 HE1 HIS 35 1HE HIS 35 -10.548 13.407 -2.400 300 HA PRO 36 HA PRO 36 -3.960 16.346 0.139 301 HB2 PRO 36 1HB PRO 36 -4.798 17.391 -2.284 302 HB3 PRO 36 2HB PRO 36 -3.615 16.044 -2.123 303 HG2 PRO 36 1HG PRO 36 -6.591 15.882 -2.709 304 HG3 PRO 36 2HG PRO 36 -5.245 14.988 -3.487 305 HD2 PRO 36 1HD PRO 36 -6.750 13.874 -1.533 306 HD3 PRO 36 2HD PRO 36 -4.993 13.570 -1.625 307 H ASP 37 H ASP 37 -7.297 16.391 -0.808 308 HA ASP 37 HA ASP 37 -8.164 18.950 -0.659 309 HB2 ASP 37 1HB ASP 37 -9.274 16.775 -1.371 310 HB3 ASP 37 2HB ASP 37 -9.570 16.452 0.329 311 H LYS 38 H LYS 38 -7.554 16.843 2.156 312 HA LYS 38 HA LYS 38 -8.175 19.130 3.971 313 HB2 LYS 38 1HB LYS 38 -8.783 16.156 4.252 314 HB3 LYS 38 2HB LYS 38 -8.850 17.278 5.606 315 HG2 LYS 38 1HG LYS 38 -10.525 17.552 3.084 316 HG3 LYS 38 2HG LYS 38 -11.040 16.832 4.604 317 HD2 LYS 38 1HD LYS 38 -10.231 19.161 5.639 318 HD3 LYS 38 2HD LYS 38 -10.333 19.715 3.978 319 HE2 LYS 38 1HE LYS 38 -12.304 20.326 5.225 320 HE3 LYS 38 2HE LYS 38 -12.724 19.226 3.914 321 HZ1 LYS 38 3HZ LYS 38 -13.786 18.737 6.088 322 HZ2 LYS 38 1HZ LYS 38 -12.332 18.349 6.718 323 HZ3 LYS 38 2HZ LYS 38 -12.976 17.471 5.469 324 H ASN 39 H ASN 39 -5.614 17.243 2.851 325 HA ASN 39 HA ASN 39 -4.057 18.087 5.166 326 HB2 ASN 39 1HB ASN 39 -5.129 15.673 5.435 327 HB3 ASN 39 2HB ASN 39 -3.725 15.160 4.515 328 HD21 ASN 39 1HD2 ASN 39 -1.645 16.554 5.452 329 HD22 ASN 39 2HD2 ASN 39 -1.520 16.530 7.198 330 HA PRO 40 HA PRO 40 -2.745 18.229 0.649 331 HB2 PRO 40 1HB PRO 40 -1.834 20.827 0.534 332 HB3 PRO 40 2HB PRO 40 -3.566 20.365 0.387 333 HG2 PRO 40 1HG PRO 40 -2.083 21.300 2.877 334 HG3 PRO 40 2HG PRO 40 -3.647 21.892 2.226 335 HD2 PRO 40 1HD PRO 40 -3.475 20.018 4.223 336 HD3 PRO 40 2HD PRO 40 -4.761 19.928 2.961 337 H ASN 41 H ASN 41 -1.011 19.263 3.516 338 HA ASN 41 HA ASN 41 1.603 19.447 2.506 339 HB2 ASN 41 1HB ASN 41 0.905 18.571 5.323 340 HB3 ASN 41 2HB ASN 41 2.243 19.562 4.784 341 HD21 ASN 41 1HD2 ASN 41 1.785 21.885 4.305 342 HD22 ASN 41 2HD2 ASN 41 0.401 22.607 5.072 343 H GLU 42 H GLU 42 -0.386 16.684 2.898 344 HA GLU 42 HA GLU 42 1.839 14.690 3.107 345 HB2 GLU 42 1HB GLU 42 -1.087 14.574 3.882 346 HB3 GLU 42 2HB GLU 42 0.032 13.219 3.854 347 HG2 GLU 42 1HG GLU 42 1.602 14.792 5.296 348 HG3 GLU 42 2HG GLU 42 0.194 15.736 5.516 349 H GLY 43 H GLY 43 0.048 16.273 0.720 350 HA2 GLY 43 1HA GLY 43 -1.215 14.158 -0.630 351 HA3 GLY 43 2HA GLY 43 -0.736 15.697 -1.345 352 H GLU 44 H GLU 44 2.219 14.920 -0.592 353 HA GLU 44 HA GLU 44 2.692 13.324 -3.052 354 HB2 GLU 44 1HB GLU 44 4.572 14.746 -1.169 355 HB3 GLU 44 2HB GLU 44 5.153 13.436 -2.222 356 HG2 GLU 44 1HG GLU 44 3.983 14.726 -4.165 357 HG3 GLU 44 2HG GLU 44 3.959 16.087 -3.051 358 H LYS 45 H LYS 45 2.758 12.783 0.517 359 HA LYS 45 HA LYS 45 3.944 10.227 0.577 360 HB2 LYS 45 1HB LYS 45 1.486 11.155 2.119 361 HB3 LYS 45 2HB LYS 45 2.635 9.960 2.589 362 HG2 LYS 45 1HG LYS 45 4.310 11.497 3.178 363 HG3 LYS 45 2HG LYS 45 3.386 12.855 2.463 364 HD2 LYS 45 1HD LYS 45 2.578 13.117 4.502 365 HD3 LYS 45 2HD LYS 45 1.516 11.715 4.202 366 HE2 LYS 45 1HE LYS 45 4.255 11.183 5.261 367 HE3 LYS 45 2HE LYS 45 3.169 12.154 6.270 368 HZ1 LYS 45 3HZ LYS 45 3.045 9.701 6.656 369 HZ2 LYS 45 1HZ LYS 45 2.336 9.536 5.193 370 HZ3 LYS 45 2HZ LYS 45 1.609 10.451 6.332 371 H PHE 46 H PHE 46 0.705 11.348 -0.299 372 HA PHE 46 HA PHE 46 -0.726 9.033 -0.135 373 HB2 PHE 46 1HB PHE 46 -1.273 11.508 -0.966 374 HB3 PHE 46 2HB PHE 46 -1.124 10.823 -2.544 375 HD1 PHE 46 2HD PHE 46 -2.487 8.019 -1.086 376 HD2 PHE 46 1HD PHE 46 -3.522 12.114 -1.921 377 HE1 PHE 46 2HE PHE 46 -4.853 7.406 -1.118 378 HE2 PHE 46 1HE PHE 46 -5.933 11.455 -2.020 379 HZ PHE 46 HZ PHE 46 -6.600 9.108 -1.606 380 H LYS 47 H LYS 47 1.500 10.084 -2.669 381 HA LYS 47 HA LYS 47 0.940 8.220 -4.656 382 HB2 LYS 47 1HB LYS 47 2.563 10.344 -4.541 383 HB3 LYS 47 2HB LYS 47 3.795 9.132 -4.155 384 HG2 LYS 47 1HG LYS 47 3.099 7.887 -6.249 385 HG3 LYS 47 2HG LYS 47 1.922 9.196 -6.532 386 HD2 LYS 47 1HD LYS 47 3.785 10.829 -6.687 387 HD3 LYS 47 2HD LYS 47 4.945 9.492 -6.516 388 HE2 LYS 47 1HE LYS 47 3.977 8.408 -8.532 389 HE3 LYS 47 2HE LYS 47 2.798 9.721 -8.692 390 HZ1 LYS 47 3HZ LYS 47 4.624 11.250 -9.033 391 HZ2 LYS 47 1HZ LYS 47 4.687 10.070 -10.144 392 HZ3 LYS 47 2HZ LYS 47 5.730 10.003 -8.884 393 H GLN 48 H GLN 48 3.232 7.855 -1.891 394 HA GLN 48 HA GLN 48 4.230 5.287 -2.623 395 HB2 GLN 48 1HB GLN 48 3.930 6.863 -0.058 396 HB3 GLN 48 2HB GLN 48 4.280 5.159 0.071 397 HG2 GLN 48 1HG GLN 48 5.990 6.696 -1.848 398 HG3 GLN 48 2HG GLN 48 6.167 7.071 -0.132 399 HE21 GLN 48 1HE2 GLN 48 6.712 5.355 1.371 400 HE22 GLN 48 2HE2 GLN 48 7.700 4.009 0.805 401 H ILE 49 H ILE 49 1.188 6.287 -1.146 402 HA ILE 49 HA ILE 49 0.490 3.650 -0.155 403 HB ILE 49 HB ILE 49 -1.533 5.837 -0.704 404 HG12 ILE 49 1HG1 ILE 49 0.329 5.735 1.715 405 HG13 ILE 49 2HG1 ILE 49 0.281 6.982 0.474 406 HG21 ILE 49 1HG2 ILE 49 -2.807 4.825 1.019 407 HG22 ILE 49 2HG2 ILE 49 -2.124 3.462 0.130 408 HG23 ILE 49 3HG2 ILE 49 -1.402 3.948 1.667 409 HD11 ILE 49 3HD1 ILE 49 -2.139 7.438 1.123 410 HD12 ILE 49 1HD1 ILE 49 -1.846 6.402 2.537 411 HD13 ILE 49 2HD1 ILE 49 -0.900 7.886 2.307 412 H SER 50 H SER 50 -0.360 5.642 -3.078 413 HA SER 50 HA SER 50 -2.101 3.661 -4.181 414 HB2 SER 50 1HB SER 50 -0.948 5.099 -6.331 415 HB3 SER 50 2HB SER 50 -2.515 5.323 -5.563 416 HG SER 50 HG SER 50 -1.697 6.906 -4.278 417 H GLN 51 H GLN 51 1.325 4.447 -4.776 418 HA GLN 51 HA GLN 51 2.014 2.614 -6.698 419 HB2 GLN 51 1HB GLN 51 3.346 4.512 -5.445 420 HB3 GLN 51 2HB GLN 51 3.801 3.253 -4.317 421 HG2 GLN 51 1HG GLN 51 5.557 2.933 -5.613 422 HG3 GLN 51 2HG GLN 51 4.498 2.123 -6.756 423 HE21 GLN 51 1HE2 GLN 51 4.228 3.092 -8.786 424 HE22 GLN 51 2HE2 GLN 51 4.874 4.705 -9.172 425 H ALA 52 H ALA 52 2.123 2.123 -3.128 426 HA ALA 52 HA ALA 52 3.098 -0.567 -3.348 427 HB1 ALA 52 1HB ALA 52 1.787 0.947 -1.031 428 HB2 ALA 52 2HB ALA 52 2.616 -0.609 -0.877 429 HB3 ALA 52 3HB ALA 52 3.530 0.830 -1.342 430 H TYR 53 H TYR 53 -0.200 0.756 -2.691 431 HA TYR 53 HA TYR 53 -1.424 -1.813 -2.359 432 HB2 TYR 53 1HB TYR 53 -2.508 0.187 -1.592 433 HB3 TYR 53 2HB TYR 53 -2.546 0.864 -3.221 434 HD1 TYR 53 1HD TYR 53 -4.083 0.040 -4.911 435 HD2 TYR 53 2HD TYR 53 -4.031 -1.753 -0.993 436 HE1 TYR 53 1HE TYR 53 -6.198 -1.032 -5.428 437 HE2 TYR 53 2HE TYR 53 -6.214 -2.856 -1.495 438 HH TYR 53 HH TYR 53 -7.613 -2.684 -4.795 439 H GLU 54 H GLU 54 -0.455 0.008 -5.271 440 HA GLU 54 HA GLU 54 -2.341 -1.189 -7.061 441 HB2 GLU 54 1HB GLU 54 -1.301 0.887 -7.672 442 HB3 GLU 54 2HB GLU 54 0.332 0.187 -7.566 443 HG2 GLU 54 1HG GLU 54 -0.008 -1.182 -9.508 444 HG3 GLU 54 2HG GLU 54 -1.741 -0.902 -9.493 445 H VAL 55 H VAL 55 1.061 -2.028 -6.281 446 HA VAL 55 HA VAL 55 1.278 -4.171 -8.157 447 HB VAL 55 HB VAL 55 2.697 -3.587 -5.519 448 HG11 VAL 55 1HG1 VAL 55 3.077 -5.938 -6.041 449 HG12 VAL 55 2HG1 VAL 55 3.440 -5.555 -7.739 450 HG13 VAL 55 3HG1 VAL 55 4.533 -5.031 -6.446 451 HG21 VAL 55 3HG2 VAL 55 2.941 -1.821 -7.294 452 HG22 VAL 55 1HG2 VAL 55 4.459 -2.705 -7.043 453 HG23 VAL 55 2HG2 VAL 55 3.399 -3.081 -8.436 454 H LEU 56 H LEU 56 -0.237 -3.967 -5.014 455 HA LEU 56 HA LEU 56 -0.629 -6.891 -4.844 456 HB2 LEU 56 1HB LEU 56 -1.388 -4.613 -2.977 457 HB3 LEU 56 2HB LEU 56 -1.539 -6.328 -2.606 458 HG LEU 56 HG LEU 56 1.107 -4.886 -3.176 459 HD11 LEU 56 1HD1 LEU 56 -0.124 -5.689 -0.524 460 HD12 LEU 56 2HD1 LEU 56 0.070 -4.024 -1.142 461 HD13 LEU 56 3HD1 LEU 56 1.493 -4.996 -0.759 462 HD21 LEU 56 3HD2 LEU 56 1.246 -7.313 -3.609 463 HD22 LEU 56 1HD2 LEU 56 0.571 -7.639 -1.984 464 HD23 LEU 56 2HD2 LEU 56 2.143 -6.847 -2.160 465 H SER 57 H SER 57 -2.224 -4.322 -6.395 466 HA SER 57 HA SER 57 -4.920 -4.751 -5.537 467 HB2 SER 57 1HB SER 57 -3.954 -2.609 -6.371 468 HB3 SER 57 2HB SER 57 -3.831 -3.317 -7.996 469 HG SER 57 HG SER 57 -5.946 -3.311 -8.206 470 H ASP 58 H ASP 58 -3.019 -6.710 -7.544 471 HA ASP 58 HA ASP 58 -5.294 -7.726 -9.170 472 HB2 ASP 58 1HB ASP 58 -3.844 -6.009 -10.433 473 HB3 ASP 58 2HB ASP 58 -2.481 -6.994 -10.076 474 H ALA 59 H ALA 59 -5.182 -10.044 -9.160 475 HA ALA 59 HA ALA 59 -3.279 -11.327 -7.493 476 HB1 ALA 59 1HB ALA 59 -4.779 -12.628 -9.795 477 HB2 ALA 59 2HB ALA 59 -4.113 -13.420 -8.358 478 HB3 ALA 59 3HB ALA 59 -5.486 -12.309 -8.192 479 H LYS 60 H LYS 60 -3.024 -10.402 -10.903 480 HA LYS 60 HA LYS 60 -0.990 -12.402 -11.511 481 HB2 LYS 60 1HB LYS 60 -2.971 -10.942 -12.899 482 HB3 LYS 60 2HB LYS 60 -1.501 -10.202 -13.433 483 HG2 LYS 60 1HG LYS 60 -1.833 -13.235 -13.435 484 HG3 LYS 60 2HG LYS 60 -2.510 -12.239 -14.723 485 HD2 LYS 60 1HD LYS 60 0.436 -12.199 -13.957 486 HD3 LYS 60 2HD LYS 60 -0.246 -13.206 -15.254 487 HE2 LYS 60 1HE LYS 60 -1.028 -11.277 -16.477 488 HE3 LYS 60 2HE LYS 60 -0.642 -10.187 -15.152 489 HZ1 LYS 60 3HZ LYS 60 1.318 -11.613 -16.817 490 HZ2 LYS 60 1HZ LYS 60 1.664 -10.693 -15.453 491 HZ3 LYS 60 2HZ LYS 60 1.007 -9.997 -16.769 492 H LYS 61 H LYS 61 -1.204 -8.847 -11.124 493 HA LYS 61 HA LYS 61 1.687 -8.422 -11.155 494 HB2 LYS 61 1HB LYS 61 -0.463 -6.901 -9.559 495 HB3 LYS 61 2HB LYS 61 1.254 -6.506 -9.567 496 HG2 LYS 61 1HG LYS 61 0.730 -6.528 -12.277 497 HG3 LYS 61 2HG LYS 61 -0.827 -6.047 -11.613 498 HD2 LYS 61 1HD LYS 61 0.281 -4.020 -12.050 499 HD3 LYS 61 2HD LYS 61 0.237 -4.223 -10.306 500 HE2 LYS 61 1HE LYS 61 2.400 -3.334 -11.021 501 HE3 LYS 61 2HE LYS 61 2.619 -4.939 -10.311 502 HZ1 LYS 61 3HZ LYS 61 3.361 -5.737 -12.237 503 HZ2 LYS 61 1HZ LYS 61 3.612 -4.173 -12.665 504 HZ3 LYS 61 2HZ LYS 61 2.242 -4.912 -13.165 505 H ARG 62 H ARG 62 -0.597 -9.081 -8.433 506 HA ARG 62 HA ARG 62 1.395 -9.216 -6.543 507 HB2 ARG 62 1HB ARG 62 -0.933 -9.078 -5.937 508 HB3 ARG 62 2HB ARG 62 -1.219 -10.750 -6.441 509 HG2 ARG 62 1HG ARG 62 -0.092 -11.648 -4.623 510 HG3 ARG 62 2HG ARG 62 1.018 -10.284 -4.493 511 HD2 ARG 62 1HD ARG 62 -0.595 -8.888 -3.449 512 HD3 ARG 62 2HD ARG 62 -1.865 -10.137 -3.639 513 HE ARG 62 HE ARG 62 0.614 -10.877 -2.214 514 HH11 ARG 62 1HH1 ARG 62 -2.703 -9.813 -1.757 515 HH12 ARG 62 2HH1 ARG 62 -2.929 -10.783 -0.314 516 HH21 ARG 62 1HH2 ARG 62 0.355 -12.012 -0.402 517 HH22 ARG 62 2HH2 ARG 62 -1.096 -12.012 0.558 518 H GLU 63 H GLU 63 0.383 -12.035 -8.634 519 HA GLU 63 HA GLU 63 2.008 -13.911 -7.312 520 HB2 GLU 63 1HB GLU 63 1.093 -13.666 -10.193 521 HB3 GLU 63 2HB GLU 63 2.283 -14.866 -9.741 522 HG2 GLU 63 1HG GLU 63 0.696 -15.685 -7.925 523 HG3 GLU 63 2HG GLU 63 -0.563 -14.756 -8.743 524 H LEU 64 H LEU 64 2.996 -11.510 -9.798 525 HA LEU 64 HA LEU 64 5.647 -12.679 -10.034 526 HB2 LEU 64 1HB LEU 64 4.297 -10.206 -11.096 527 HB3 LEU 64 2HB LEU 64 6.052 -10.158 -10.957 528 HG LEU 64 HG LEU 64 6.307 -12.175 -12.300 529 HD11 LEU 64 1HD1 LEU 64 3.279 -12.168 -12.376 530 HD12 LEU 64 2HD1 LEU 64 4.362 -13.430 -11.730 531 HD13 LEU 64 3HD1 LEU 64 4.304 -13.138 -13.473 532 HD21 LEU 64 3HD2 LEU 64 4.526 -10.122 -13.652 533 HD22 LEU 64 1HD2 LEU 64 5.580 -11.295 -14.471 534 HD23 LEU 64 2HD2 LEU 64 6.264 -10.025 -13.452 535 H TYR 65 H TYR 65 4.186 -10.063 -8.214 536 HA TYR 65 HA TYR 65 6.440 -9.125 -6.764 537 HB2 TYR 65 1HB TYR 65 4.567 -7.789 -6.813 538 HB3 TYR 65 2HB TYR 65 3.483 -9.087 -6.387 539 HD1 TYR 65 1HD TYR 65 6.165 -6.879 -5.037 540 HD2 TYR 65 2HD TYR 65 3.085 -9.759 -4.143 541 HE1 TYR 65 1HE TYR 65 6.448 -6.426 -2.640 542 HE2 TYR 65 2HE TYR 65 3.287 -9.272 -1.753 543 HH TYR 65 HH TYR 65 5.881 -7.078 -0.516 544 H ASP 66 H ASP 66 4.251 -11.860 -6.129 545 HA ASP 66 HA ASP 66 4.772 -12.285 -3.493 546 HB2 ASP 66 1HB ASP 66 3.148 -13.440 -5.283 547 HB3 ASP 66 2HB ASP 66 4.399 -14.670 -5.319 548 H LYS 67 H LYS 67 6.738 -13.171 -6.172 549 HA LYS 67 HA LYS 67 8.876 -14.291 -4.419 550 HB2 LYS 67 1HB LYS 67 9.334 -15.972 -6.233 551 HB3 LYS 67 2HB LYS 67 7.865 -16.210 -5.309 552 HG2 LYS 67 1HG LYS 67 6.438 -15.506 -7.030 553 HG3 LYS 67 2HG LYS 67 7.746 -14.746 -7.945 554 HD2 LYS 67 1HD LYS 67 8.041 -17.690 -7.440 555 HD3 LYS 67 2HD LYS 67 6.672 -17.227 -8.458 556 HE2 LYS 67 1HE LYS 67 8.131 -15.951 -9.950 557 HE3 LYS 67 2HE LYS 67 9.540 -16.349 -8.939 558 HZ1 LYS 67 3HZ LYS 67 7.897 -18.350 -10.347 559 HZ2 LYS 67 1HZ LYS 67 9.264 -18.630 -9.459 560 HZ3 LYS 67 2HZ LYS 67 9.366 -17.780 -10.862 561 H GLY 68 H GLY 68 8.417 -11.551 -5.845 562 HA2 GLY 68 1HA GLY 68 11.104 -11.292 -6.890 563 HA3 GLY 68 2HA GLY 68 9.919 -11.413 -8.190 564 H GLY 69 H GLY 69 8.107 -9.842 -8.162 565 HA2 GLY 69 1HA GLY 69 7.250 -7.692 -7.952 566 HA3 GLY 69 2HA GLY 69 8.420 -7.360 -6.668 567 H GLU 70 H GLU 70 10.515 -8.316 -8.939 568 HA GLU 70 HA GLU 70 10.599 -5.688 -10.304 569 HB2 GLU 70 1HB GLU 70 12.500 -6.701 -8.681 570 HB3 GLU 70 2HB GLU 70 12.973 -7.488 -10.192 571 HG2 GLU 70 1HG GLU 70 12.668 -5.083 -11.225 572 HG3 GLU 70 2HG GLU 70 12.745 -4.530 -9.540 573 H GLN 71 H GLN 71 8.916 -7.942 -11.093 574 HA GLN 71 HA GLN 71 9.554 -7.653 -13.875 575 HB2 GLN 71 1HB GLN 71 8.566 -10.318 -12.758 576 HB3 GLN 71 2HB GLN 71 8.559 -9.835 -14.467 577 HG2 GLN 71 1HG GLN 71 11.062 -9.481 -14.282 578 HG3 GLN 71 2HG GLN 71 10.990 -10.236 -12.680 579 HE21 GLN 71 1HE2 GLN 71 9.293 -12.447 -13.055 580 HE22 GLN 71 2HE2 GLN 71 10.004 -13.469 -14.292 Start of MODEL 18 1 H1 GLY 1 H GLY 1 14.222 0.952 15.703 2 HA2 GLY 1 1HA GLY 1 15.880 2.747 15.606 3 HA3 GLY 1 2HA GLY 1 16.227 1.489 14.413 4 H MET 2 H MET 2 16.521 2.204 12.322 5 HA MET 2 HA MET 2 15.165 4.694 11.411 6 HB2 MET 2 1HB MET 2 17.217 5.660 10.645 7 HB3 MET 2 2HB MET 2 17.345 5.338 12.374 8 HG2 MET 2 1HG MET 2 19.336 4.444 11.901 9 HG3 MET 2 2HG MET 2 18.437 3.054 11.313 10 HE1 MET 2 3HE MET 2 20.577 6.131 10.590 11 HE2 MET 2 1HE MET 2 20.608 6.286 8.817 12 HE3 MET 2 2HE MET 2 19.153 6.743 9.721 13 H VAL 3 H VAL 3 14.897 1.754 10.810 14 HA VAL 3 HA VAL 3 15.506 1.430 8.015 15 HB VAL 3 HB VAL 3 13.244 0.254 9.685 16 HG11 VAL 3 1HG1 VAL 3 14.535 -0.770 7.122 17 HG12 VAL 3 2HG1 VAL 3 13.240 -1.562 8.035 18 HG13 VAL 3 3HG1 VAL 3 12.922 -0.019 7.240 19 HG21 VAL 3 3HG2 VAL 3 14.684 -1.730 9.972 20 HG22 VAL 3 1HG2 VAL 3 16.020 -0.891 9.172 21 HG23 VAL 3 2HG2 VAL 3 15.420 -0.320 10.730 22 H LYS 4 H LYS 4 14.860 2.949 6.637 23 HA LYS 4 HA LYS 4 11.907 3.402 6.460 24 HB2 LYS 4 1HB LYS 4 14.072 5.458 5.834 25 HB3 LYS 4 2HB LYS 4 12.465 5.501 5.110 26 HG2 LYS 4 1HG LYS 4 12.103 6.909 6.848 27 HG3 LYS 4 2HG LYS 4 11.537 5.400 7.522 28 HD2 LYS 4 1HD LYS 4 12.781 6.383 9.244 29 HD3 LYS 4 2HD LYS 4 13.900 5.206 8.601 30 HE2 LYS 4 1HE LYS 4 14.180 7.703 7.119 31 HE3 LYS 4 2HE LYS 4 14.140 8.082 8.839 32 HZ1 LYS 4 3HZ LYS 4 16.359 7.735 8.296 33 HZ2 LYS 4 1HZ LYS 4 16.089 6.368 7.424 34 HZ3 LYS 4 2HZ LYS 4 15.938 6.313 9.037 35 H GLU 5 H GLU 5 12.844 1.096 5.567 36 HA GLU 5 HA GLU 5 12.483 1.231 2.703 37 HB2 GLU 5 1HB GLU 5 14.489 -0.122 2.191 38 HB3 GLU 5 2HB GLU 5 14.839 1.509 2.732 39 HG2 GLU 5 1HG GLU 5 16.388 0.567 4.031 40 HG3 GLU 5 2HG GLU 5 15.051 0.240 5.105 41 H THR 6 H THR 6 10.575 0.010 2.955 42 HA THR 6 HA THR 6 10.880 -2.761 3.655 43 HB THR 6 HB THR 6 8.725 -1.149 5.066 44 HG1 THR 6 1HG THR 6 11.390 -1.602 5.737 45 HG21 THR 6 3HG2 THR 6 9.999 -3.878 5.452 46 HG22 THR 6 1HG2 THR 6 8.366 -3.555 4.820 47 HG23 THR 6 2HG2 THR 6 8.749 -3.171 6.510 48 H THR 7 H THR 7 9.087 -3.992 2.810 49 HA THR 7 HA THR 7 8.541 -3.139 0.208 50 HB THR 7 HB THR 7 8.857 -5.489 1.074 51 HG1 THR 7 1HG THR 7 8.300 -5.560 -0.927 52 HG21 THR 7 3HG2 THR 7 7.152 -5.449 2.906 53 HG22 THR 7 1HG2 THR 7 6.951 -6.793 1.777 54 HG23 THR 7 2HG2 THR 7 5.878 -5.395 1.644 55 H TYR 8 H TYR 8 6.291 -3.728 -0.620 56 HA TYR 8 HA TYR 8 4.430 -1.578 -0.189 57 HB2 TYR 8 1HB TYR 8 4.157 -4.168 -1.741 58 HB3 TYR 8 2HB TYR 8 3.085 -2.800 -1.946 59 HD1 TYR 8 1HD TYR 8 5.391 -0.610 -1.833 60 HD2 TYR 8 2HD TYR 8 4.855 -4.309 -3.986 61 HE1 TYR 8 1HE TYR 8 6.736 0.303 -3.690 62 HE2 TYR 8 2HE TYR 8 6.233 -3.452 -5.821 63 HH TYR 8 HH TYR 8 7.521 -1.607 -6.606 64 H TYR 9 H TYR 9 4.756 -3.454 2.193 65 HA TYR 9 HA TYR 9 1.829 -3.806 2.622 66 HB2 TYR 9 1HB TYR 9 4.101 -5.574 3.571 67 HB3 TYR 9 2HB TYR 9 2.522 -5.553 4.353 68 HD1 TYR 9 2HD TYR 9 0.609 -5.357 2.076 69 HD2 TYR 9 1HD TYR 9 4.245 -7.668 2.437 70 HE1 TYR 9 2HE TYR 9 -0.215 -6.954 0.393 71 HE2 TYR 9 1HE TYR 9 3.332 -9.341 0.872 72 HH TYR 9 HH TYR 9 1.281 -10.062 -0.231 73 H ASP 10 H ASP 10 4.976 -3.169 4.244 74 HA ASP 10 HA ASP 10 3.690 -1.947 6.503 75 HB2 ASP 10 1HB ASP 10 6.474 -2.333 5.638 76 HB3 ASP 10 2HB ASP 10 6.237 -0.672 6.183 77 H VAL 11 H VAL 11 4.488 -0.681 3.323 78 HA VAL 11 HA VAL 11 4.093 2.036 3.661 79 HB VAL 11 HB VAL 11 3.199 0.171 1.402 80 HG11 VAL 11 1HG1 VAL 11 3.085 2.254 -0.030 81 HG12 VAL 11 2HG1 VAL 11 1.798 2.137 1.165 82 HG13 VAL 11 3HG1 VAL 11 3.208 3.213 1.444 83 HG21 VAL 11 3HG2 VAL 11 5.603 0.249 1.554 84 HG22 VAL 11 1HG2 VAL 11 5.142 1.229 0.175 85 HG23 VAL 11 2HG2 VAL 11 5.608 2.020 1.682 86 H LEU 12 H LEU 12 1.632 -0.518 3.214 87 HA LEU 12 HA LEU 12 -0.552 1.410 3.439 88 HB2 LEU 12 1HB LEU 12 -0.398 -1.585 2.912 89 HB3 LEU 12 2HB LEU 12 -1.930 -0.742 3.058 90 HG LEU 12 HG LEU 12 -0.295 0.805 1.258 91 HD11 LEU 12 1HD1 LEU 12 -0.303 -2.161 0.616 92 HD12 LEU 12 2HD1 LEU 12 1.073 -1.054 0.789 93 HD13 LEU 12 3HD1 LEU 12 -0.041 -0.881 -0.584 94 HD21 LEU 12 3HD2 LEU 12 -2.078 0.800 -0.093 95 HD22 LEU 12 1HD2 LEU 12 -2.926 0.285 1.384 96 HD23 LEU 12 2HD2 LEU 12 -2.481 -0.918 0.173 97 H GLY 13 H GLY 13 1.308 0.430 5.819 98 HA2 GLY 13 1HA GLY 13 1.006 0.001 8.050 99 HA3 GLY 13 2HA GLY 13 -0.594 0.764 7.875 100 H VAL 14 H VAL 14 0.490 -2.181 6.136 101 HA VAL 14 HA VAL 14 -1.251 -3.801 7.892 102 HB VAL 14 HB VAL 14 -1.720 -5.350 6.125 103 HG11 VAL 14 1HG1 VAL 14 -2.470 -2.546 5.206 104 HG12 VAL 14 2HG1 VAL 14 -3.324 -4.060 4.843 105 HG13 VAL 14 3HG1 VAL 14 -3.266 -3.442 6.511 106 HG21 VAL 14 3HG2 VAL 14 0.252 -5.039 4.670 107 HG22 VAL 14 1HG2 VAL 14 -1.257 -4.922 3.766 108 HG23 VAL 14 2HG2 VAL 14 -0.353 -3.447 4.175 109 H LYS 15 H LYS 15 -0.464 -5.863 8.312 110 HA LYS 15 HA LYS 15 2.409 -6.034 8.491 111 HB2 LYS 15 1HB LYS 15 1.694 -8.497 9.257 112 HB3 LYS 15 2HB LYS 15 1.652 -7.084 10.294 113 HG2 LYS 15 1HG LYS 15 -0.338 -8.238 10.724 114 HG3 LYS 15 2HG LYS 15 -0.804 -6.826 9.800 115 HD2 LYS 15 1HD LYS 15 -0.816 -8.315 7.752 116 HD3 LYS 15 2HD LYS 15 -0.613 -9.683 8.875 117 HE2 LYS 15 1HE LYS 15 -2.684 -8.645 10.127 118 HE3 LYS 15 2HE LYS 15 -2.941 -7.738 8.630 119 HZ1 LYS 15 3HZ LYS 15 -3.412 -10.563 9.124 120 HZ2 LYS 15 1HZ LYS 15 -2.749 -10.218 7.678 121 HZ3 LYS 15 2HZ LYS 15 -4.168 -9.532 8.124 122 HA PRO 16 HA PRO 16 3.067 -7.986 4.574 123 HB2 PRO 16 1HB PRO 16 5.276 -9.557 5.002 124 HB3 PRO 16 2HB PRO 16 5.327 -7.775 4.945 125 HG2 PRO 16 1HG PRO 16 5.085 -9.538 7.394 126 HG3 PRO 16 2HG PRO 16 6.266 -8.205 7.116 127 HD2 PRO 16 1HD PRO 16 3.993 -7.815 8.527 128 HD3 PRO 16 2HD PRO 16 4.572 -6.556 7.381 129 H ASN 17 H ASN 17 1.731 -9.558 7.106 130 HA ASN 17 HA ASN 17 1.246 -12.057 5.572 131 HB2 ASN 17 1HB ASN 17 2.200 -12.221 7.956 132 HB3 ASN 17 2HB ASN 17 0.634 -11.634 8.519 133 HD21 ASN 17 1HD2 ASN 17 0.696 -13.848 9.611 134 HD22 ASN 17 2HD2 ASN 17 0.244 -15.263 8.649 135 H ALA 18 H ALA 18 0.048 -9.876 4.502 136 HA ALA 18 HA ALA 18 -2.583 -9.386 5.727 137 HB1 ALA 18 1HB ALA 18 -1.338 -7.492 4.775 138 HB2 ALA 18 2HB ALA 18 -1.271 -8.311 3.197 139 HB3 ALA 18 3HB ALA 18 -2.833 -7.786 3.877 140 H THR 19 H THR 19 -4.512 -9.821 4.613 141 HA THR 19 HA THR 19 -4.415 -11.966 2.563 142 HB THR 19 HB THR 19 -6.989 -11.883 3.058 143 HG1 THR 19 1HG THR 19 -5.899 -10.638 5.361 144 HG21 THR 19 3HG2 THR 19 -5.438 -13.779 3.631 145 HG22 THR 19 1HG2 THR 19 -6.691 -13.538 4.855 146 HG23 THR 19 2HG2 THR 19 -5.031 -12.956 5.153 147 H GLN 20 H GLN 20 -6.043 -11.694 0.668 148 HA GLN 20 HA GLN 20 -5.140 -9.489 -0.797 149 HB2 GLN 20 1HB GLN 20 -7.738 -10.872 -1.432 150 HB3 GLN 20 2HB GLN 20 -6.603 -10.117 -2.538 151 HG2 GLN 20 1HG GLN 20 -6.043 -12.686 -1.005 152 HG3 GLN 20 2HG GLN 20 -6.677 -12.594 -2.640 153 HE21 GLN 20 1HE2 GLN 20 -3.820 -12.185 -0.649 154 HE22 GLN 20 2HE2 GLN 20 -2.690 -12.151 -1.963 155 H GLU 21 H GLU 21 -8.144 -9.956 1.071 156 HA GLU 21 HA GLU 21 -9.446 -7.520 0.209 157 HB2 GLU 21 1HB GLU 21 -9.968 -9.425 2.552 158 HB3 GLU 21 2HB GLU 21 -11.058 -8.142 2.019 159 HG2 GLU 21 1HG GLU 21 -11.062 -9.128 -0.244 160 HG3 GLU 21 2HG GLU 21 -10.194 -10.553 0.365 161 H GLU 22 H GLU 22 -7.304 -8.361 2.772 162 HA GLU 22 HA GLU 22 -7.942 -6.206 4.617 163 HB2 GLU 22 1HB GLU 22 -5.511 -7.953 4.254 164 HB3 GLU 22 2HB GLU 22 -5.433 -6.518 5.295 165 HG2 GLU 22 1HG GLU 22 -7.377 -7.312 6.576 166 HG3 GLU 22 2HG GLU 22 -7.482 -8.747 5.545 167 H LEU 23 H LEU 23 -5.953 -6.274 1.537 168 HA LEU 23 HA LEU 23 -4.708 -3.850 2.061 169 HB2 LEU 23 1HB LEU 23 -5.285 -5.725 -0.255 170 HB3 LEU 23 2HB LEU 23 -4.792 -4.129 -0.596 171 HG LEU 23 HG LEU 23 -2.851 -5.480 -0.651 172 HD11 LEU 23 1HD1 LEU 23 -2.506 -3.270 0.461 173 HD12 LEU 23 2HD1 LEU 23 -1.344 -4.501 0.992 174 HD13 LEU 23 3HD1 LEU 23 -2.671 -4.057 2.050 175 HD21 LEU 23 3HD2 LEU 23 -3.604 -6.462 2.100 176 HD22 LEU 23 1HD2 LEU 23 -2.146 -6.925 1.229 177 HD23 LEU 23 2HD2 LEU 23 -3.732 -7.372 0.588 178 H LYS 24 H LYS 24 -7.781 -4.620 0.283 179 HA LYS 24 HA LYS 24 -8.167 -1.893 -0.445 180 HB2 LYS 24 1HB LYS 24 -10.361 -2.388 -1.037 181 HB3 LYS 24 2HB LYS 24 -9.356 -3.750 -1.502 182 HG2 LYS 24 1HG LYS 24 -10.791 -5.161 -0.536 183 HG3 LYS 24 2HG LYS 24 -10.489 -4.427 1.018 184 HD2 LYS 24 1HD LYS 24 -12.765 -4.210 0.874 185 HD3 LYS 24 2HD LYS 24 -12.231 -2.607 0.336 186 HE2 LYS 24 1HE LYS 24 -12.365 -3.474 -2.064 187 HE3 LYS 24 2HE LYS 24 -12.936 -5.009 -1.390 188 HZ1 LYS 24 3HZ LYS 24 -14.809 -3.808 -2.079 189 HZ2 LYS 24 1HZ LYS 24 -14.368 -2.439 -1.305 190 HZ3 LYS 24 2HZ LYS 24 -14.849 -3.779 -0.455 191 H LYS 25 H LYS 25 -9.423 -3.693 2.259 192 HA LYS 25 HA LYS 25 -10.779 -1.549 3.609 193 HB2 LYS 25 1HB LYS 25 -9.444 -4.043 4.786 194 HB3 LYS 25 2HB LYS 25 -10.324 -2.850 5.748 195 HG2 LYS 25 1HG LYS 25 -12.266 -3.276 4.008 196 HG3 LYS 25 2HG LYS 25 -11.431 -4.804 3.726 197 HD2 LYS 25 1HD LYS 25 -12.308 -3.773 6.465 198 HD3 LYS 25 2HD LYS 25 -13.320 -4.804 5.449 199 HE2 LYS 25 1HE LYS 25 -11.765 -6.656 5.641 200 HE3 LYS 25 2HE LYS 25 -10.564 -5.640 6.468 201 HZ1 LYS 25 3HZ LYS 25 -13.249 -6.206 7.574 202 HZ2 LYS 25 1HZ LYS 25 -12.003 -5.445 8.333 203 HZ3 LYS 25 2HZ LYS 25 -11.929 -7.032 7.991 204 H ALA 26 H ALA 26 -7.297 -2.547 4.044 205 HA ALA 26 HA ALA 26 -6.806 -0.482 5.936 206 HB1 ALA 26 1HB ALA 26 -5.375 -2.452 5.707 207 HB2 ALA 26 2HB ALA 26 -4.882 -1.930 4.074 208 HB3 ALA 26 3HB ALA 26 -4.441 -0.958 5.503 209 H TYR 27 H TYR 27 -6.328 -0.650 2.417 210 HA TYR 27 HA TYR 27 -5.093 1.815 1.975 211 HB2 TYR 27 1HB TYR 27 -5.201 0.195 0.211 212 HB3 TYR 27 2HB TYR 27 -6.957 0.159 0.248 213 HD1 TYR 27 1HD TYR 27 -4.053 2.378 -0.554 214 HD2 TYR 27 2HD TYR 27 -8.236 1.600 -1.052 215 HE1 TYR 27 1HE TYR 27 -4.213 4.314 -2.137 216 HE2 TYR 27 2HE TYR 27 -8.395 3.497 -2.710 217 HH TYR 27 HH TYR 27 -5.776 5.212 -3.961 218 H ARG 28 H ARG 28 -8.658 1.130 2.162 219 HA ARG 28 HA ARG 28 -9.633 3.738 1.794 220 HB2 ARG 28 1HB ARG 28 -10.467 1.552 3.709 221 HB3 ARG 28 2HB ARG 28 -11.327 3.037 3.556 222 HG2 ARG 28 1HG ARG 28 -11.499 2.307 0.990 223 HG3 ARG 28 2HG ARG 28 -11.290 0.705 1.725 224 HD2 ARG 28 1HD ARG 28 -13.111 1.413 3.396 225 HD3 ARG 28 2HD ARG 28 -13.420 2.803 2.361 226 HE ARG 28 HE ARG 28 -14.432 0.211 2.089 227 HH11 ARG 28 1HH1 ARG 28 -13.374 2.935 0.107 228 HH12 ARG 28 2HH1 ARG 28 -14.194 2.435 -1.323 229 HH21 ARG 28 1HH2 ARG 28 -15.778 -0.331 0.341 230 HH22 ARG 28 2HH2 ARG 28 -15.679 0.551 -1.150 231 H LYS 29 H LYS 29 -8.317 2.324 4.814 232 HA LYS 29 HA LYS 29 -9.012 4.551 6.477 233 HB2 LYS 29 1HB LYS 29 -6.778 2.516 6.906 234 HB3 LYS 29 2HB LYS 29 -7.499 3.548 8.125 235 HG2 LYS 29 1HG LYS 29 -9.596 2.387 8.014 236 HG3 LYS 29 2HG LYS 29 -9.095 1.551 6.554 237 HD2 LYS 29 1HD LYS 29 -9.030 -0.019 8.342 238 HD3 LYS 29 2HD LYS 29 -7.375 0.312 7.811 239 HE2 LYS 29 1HE LYS 29 -6.946 1.699 9.768 240 HE3 LYS 29 2HE LYS 29 -8.676 1.776 10.156 241 HZ1 LYS 29 3HZ LYS 29 -7.515 0.236 11.595 242 HZ2 LYS 29 1HZ LYS 29 -7.040 -0.709 10.339 243 HZ3 LYS 29 2HZ LYS 29 -8.628 -0.558 10.713 244 H LEU 30 H LEU 30 -5.974 3.598 4.924 245 HA LEU 30 HA LEU 30 -4.562 5.915 5.868 246 HB2 LEU 30 1HB LEU 30 -3.923 3.983 3.667 247 HB3 LEU 30 2HB LEU 30 -2.884 5.361 4.025 248 HG LEU 30 HG LEU 30 -1.854 3.568 5.056 249 HD11 LEU 30 1HD1 LEU 30 -2.242 5.660 6.543 250 HD12 LEU 30 2HD1 LEU 30 -1.643 4.176 7.309 251 HD13 LEU 30 3HD1 LEU 30 -3.343 4.629 7.456 252 HD21 LEU 30 3HD2 LEU 30 -3.583 1.904 5.015 253 HD22 LEU 30 1HD2 LEU 30 -4.458 2.722 6.354 254 HD23 LEU 30 2HD2 LEU 30 -2.859 1.999 6.615 255 H ALA 31 H ALA 31 -6.283 5.307 2.757 256 HA ALA 31 HA ALA 31 -5.491 7.790 1.546 257 HB1 ALA 31 1HB ALA 31 -6.476 5.908 0.257 258 HB2 ALA 31 2HB ALA 31 -8.010 6.100 1.147 259 HB3 ALA 31 3HB ALA 31 -7.437 7.391 0.064 260 H LEU 32 H LEU 32 -8.296 6.917 3.611 261 HA LEU 32 HA LEU 32 -9.492 9.476 3.657 262 HB2 LEU 32 1HB LEU 32 -9.415 7.141 5.603 263 HB3 LEU 32 2HB LEU 32 -10.246 8.619 6.044 264 HG LEU 32 HG LEU 32 -10.922 7.198 3.445 265 HD11 LEU 32 1HD1 LEU 32 -11.161 5.554 5.281 266 HD12 LEU 32 2HD1 LEU 32 -12.737 6.040 4.605 267 HD13 LEU 32 3HD1 LEU 32 -12.197 6.706 6.168 268 HD21 LEU 32 3HD2 LEU 32 -13.059 8.361 3.701 269 HD22 LEU 32 1HD2 LEU 32 -11.752 9.539 3.848 270 HD23 LEU 32 2HD2 LEU 32 -12.577 8.974 5.300 271 H LYS 33 H LYS 33 -6.752 8.157 5.536 272 HA LYS 33 HA LYS 33 -6.559 10.343 7.365 273 HB2 LYS 33 1HB LYS 33 -5.572 8.143 7.835 274 HB3 LYS 33 2HB LYS 33 -4.514 8.252 6.453 275 HG2 LYS 33 1HG LYS 33 -3.315 10.104 7.410 276 HG3 LYS 33 2HG LYS 33 -4.441 10.195 8.779 277 HD2 LYS 33 1HD LYS 33 -3.728 7.997 9.575 278 HD3 LYS 33 2HD LYS 33 -2.633 7.812 8.178 279 HE2 LYS 33 1HE LYS 33 -1.322 9.741 8.863 280 HE3 LYS 33 2HE LYS 33 -2.481 10.144 10.134 281 HZ1 LYS 33 3HZ LYS 33 -1.812 8.249 11.377 282 HZ2 LYS 33 1HZ LYS 33 -0.455 9.026 10.897 283 HZ3 LYS 33 2HZ LYS 33 -0.893 7.650 10.142 284 H TYR 34 H TYR 34 -4.468 9.566 4.522 285 HA TYR 34 HA TYR 34 -3.195 12.151 4.772 286 HB2 TYR 34 1HB TYR 34 -2.888 9.904 2.755 287 HB3 TYR 34 2HB TYR 34 -1.807 11.266 2.889 288 HD1 TYR 34 2HD TYR 34 -0.846 11.679 5.434 289 HD2 TYR 34 1HD TYR 34 -2.237 7.922 3.826 290 HE1 TYR 34 2HE TYR 34 0.494 10.468 7.107 291 HE2 TYR 34 1HE TYR 34 -0.867 6.724 5.372 292 HH TYR 34 HH TYR 34 0.364 6.863 7.346 293 H HIS 35 H HIS 35 -6.186 11.894 3.589 294 HA HIS 35 HA HIS 35 -5.952 12.392 0.859 295 HB2 HIS 35 1HB HIS 35 -8.016 11.886 2.518 296 HB3 HIS 35 2HB HIS 35 -8.226 13.625 2.433 297 HD1 HIS 35 1HD HIS 35 -9.787 14.312 0.422 298 HD2 HIS 35 2HD HIS 35 -7.821 10.608 -0.019 299 HE1 HIS 35 1HE HIS 35 -10.437 13.420 -1.870 300 HA PRO 36 HA PRO 36 -4.156 16.343 0.805 301 HB2 PRO 36 1HB PRO 36 -4.865 17.410 -1.646 302 HB3 PRO 36 2HB PRO 36 -3.700 16.064 -1.406 303 HG2 PRO 36 1HG PRO 36 -6.643 15.870 -2.096 304 HG3 PRO 36 2HG PRO 36 -5.262 15.024 -2.874 305 HD2 PRO 36 1HD PRO 36 -6.748 13.788 -1.007 306 HD3 PRO 36 2HD PRO 36 -4.965 13.615 -0.989 307 H ASP 37 H ASP 37 -7.518 16.412 -0.115 308 HA ASP 37 HA ASP 37 -8.448 18.964 0.187 309 HB2 ASP 37 1HB ASP 37 -9.790 17.014 -0.454 310 HB3 ASP 37 2HB ASP 37 -9.563 16.315 1.144 311 H LYS 38 H LYS 38 -7.610 16.724 2.811 312 HA LYS 38 HA LYS 38 -8.145 18.842 4.849 313 HB2 LYS 38 1HB LYS 38 -8.787 15.898 4.713 314 HB3 LYS 38 2HB LYS 38 -8.440 16.583 6.287 315 HG2 LYS 38 1HG LYS 38 -10.441 17.954 4.463 316 HG3 LYS 38 2HG LYS 38 -10.925 16.567 5.444 317 HD2 LYS 38 1HD LYS 38 -10.556 17.672 7.479 318 HD3 LYS 38 2HD LYS 38 -9.454 18.848 6.758 319 HE2 LYS 38 1HE LYS 38 -11.430 19.813 5.500 320 HE3 LYS 38 2HE LYS 38 -12.475 18.717 6.407 321 HZ1 LYS 38 3HZ LYS 38 -10.823 20.915 7.506 322 HZ2 LYS 38 1HZ LYS 38 -11.553 19.819 8.465 323 HZ3 LYS 38 2HZ LYS 38 -12.454 20.801 7.485 324 H ASN 39 H ASN 39 -5.629 17.580 3.228 325 HA ASN 39 HA ASN 39 -3.741 18.144 5.344 326 HB2 ASN 39 1HB ASN 39 -4.473 15.785 5.812 327 HB3 ASN 39 2HB ASN 39 -3.830 15.307 4.239 328 HD21 ASN 39 1HD2 ASN 39 -2.966 14.263 6.749 329 HD22 ASN 39 2HD2 ASN 39 -1.290 14.635 6.898 330 HA PRO 40 HA PRO 40 -2.693 18.843 0.840 331 HB2 PRO 40 1HB PRO 40 -1.722 21.424 1.051 332 HB3 PRO 40 2HB PRO 40 -3.453 21.009 0.845 333 HG2 PRO 40 1HG PRO 40 -1.972 21.682 3.394 334 HG3 PRO 40 2HG PRO 40 -3.577 22.266 2.858 335 HD2 PRO 40 1HD PRO 40 -3.255 20.219 4.645 336 HD3 PRO 40 2HD PRO 40 -4.614 20.235 3.489 337 H ASN 41 H ASN 41 -0.904 19.043 3.811 338 HA ASN 41 HA ASN 41 1.675 19.561 2.717 339 HB2 ASN 41 1HB ASN 41 1.137 18.397 5.465 340 HB3 ASN 41 2HB ASN 41 2.384 19.513 4.955 341 HD21 ASN 41 1HD2 ASN 41 1.849 21.859 4.976 342 HD22 ASN 41 2HD2 ASN 41 0.257 22.386 5.510 343 H GLU 42 H GLU 42 0.022 16.625 4.039 344 HA GLU 42 HA GLU 42 2.257 14.865 3.293 345 HB2 GLU 42 1HB GLU 42 -0.418 14.290 4.594 346 HB3 GLU 42 2HB GLU 42 0.807 13.083 4.236 347 HG2 GLU 42 1HG GLU 42 2.459 14.386 5.612 348 HG3 GLU 42 2HG GLU 42 1.160 15.462 6.105 349 H GLY 43 H GLY 43 0.338 16.418 1.282 350 HA2 GLY 43 1HA GLY 43 -1.137 14.466 -0.087 351 HA3 GLY 43 2HA GLY 43 -0.645 16.026 -0.740 352 H GLU 44 H GLU 44 2.379 15.144 -0.408 353 HA GLU 44 HA GLU 44 2.502 13.754 -3.039 354 HB2 GLU 44 1HB GLU 44 4.629 14.895 -1.193 355 HB3 GLU 44 2HB GLU 44 5.031 13.714 -2.440 356 HG2 GLU 44 1HG GLU 44 3.915 15.211 -4.139 357 HG3 GLU 44 2HG GLU 44 3.790 16.451 -2.876 358 H LYS 45 H LYS 45 2.721 13.029 0.374 359 HA LYS 45 HA LYS 45 3.915 10.444 0.273 360 HB2 LYS 45 1HB LYS 45 3.084 12.026 2.288 361 HB3 LYS 45 2HB LYS 45 1.627 11.067 2.134 362 HG2 LYS 45 1HG LYS 45 3.161 8.992 2.376 363 HG3 LYS 45 2HG LYS 45 4.400 10.142 2.907 364 HD2 LYS 45 1HD LYS 45 1.613 9.772 4.110 365 HD3 LYS 45 2HD LYS 45 3.103 9.163 4.819 366 HE2 LYS 45 1HE LYS 45 2.600 12.119 4.325 367 HE3 LYS 45 2HE LYS 45 2.047 11.286 5.776 368 HZ1 LYS 45 3HZ LYS 45 4.067 12.285 6.251 369 HZ2 LYS 45 1HZ LYS 45 4.849 11.621 4.957 370 HZ3 LYS 45 2HZ LYS 45 4.349 10.675 6.222 371 H PHE 46 H PHE 46 0.707 11.524 -0.676 372 HA PHE 46 HA PHE 46 -0.709 9.092 -0.651 373 HB2 PHE 46 1HB PHE 46 -1.266 11.626 -1.342 374 HB3 PHE 46 2HB PHE 46 -1.166 10.946 -2.931 375 HD1 PHE 46 1HD PHE 46 -2.398 8.114 -2.258 376 HD2 PHE 46 2HD PHE 46 -3.550 12.155 -1.371 377 HE1 PHE 46 1HE PHE 46 -4.735 7.395 -2.126 378 HE2 PHE 46 2HE PHE 46 -5.928 11.446 -1.322 379 HZ PHE 46 HZ PHE 46 -6.531 9.057 -1.641 380 H LYS 47 H LYS 47 1.644 10.395 -2.964 381 HA LYS 47 HA LYS 47 1.205 8.597 -5.061 382 HB2 LYS 47 1HB LYS 47 2.886 10.703 -4.712 383 HB3 LYS 47 2HB LYS 47 4.054 9.385 -4.532 384 HG2 LYS 47 1HG LYS 47 3.145 8.498 -6.787 385 HG3 LYS 47 2HG LYS 47 2.209 10.005 -6.872 386 HD2 LYS 47 1HD LYS 47 4.448 11.240 -6.529 387 HD3 LYS 47 2HD LYS 47 5.241 9.691 -6.810 388 HE2 LYS 47 1HE LYS 47 3.615 11.383 -8.741 389 HE3 LYS 47 2HE LYS 47 5.313 10.912 -8.844 390 HZ1 LYS 47 3HZ LYS 47 2.956 9.223 -9.328 391 HZ2 LYS 47 1HZ LYS 47 4.468 8.576 -9.118 392 HZ3 LYS 47 2HZ LYS 47 4.155 9.603 -10.362 393 H GLN 48 H GLN 48 3.354 8.111 -2.195 394 HA GLN 48 HA GLN 48 4.324 5.538 -2.858 395 HB2 GLN 48 1HB GLN 48 3.825 7.054 -0.276 396 HB3 GLN 48 2HB GLN 48 4.267 5.365 -0.208 397 HG2 GLN 48 1HG GLN 48 5.922 7.354 -1.740 398 HG3 GLN 48 2HG GLN 48 6.135 7.121 -0.008 399 HE21 GLN 48 1HE2 GLN 48 6.798 4.944 0.749 400 HE22 GLN 48 2HE2 GLN 48 7.753 3.932 -0.285 401 H ILE 49 H ILE 49 1.166 6.556 -1.612 402 HA ILE 49 HA ILE 49 0.356 4.005 -0.515 403 HB ILE 49 HB ILE 49 -1.506 6.190 -1.531 404 HG12 ILE 49 1HG1 ILE 49 -0.127 6.000 1.174 405 HG13 ILE 49 2HG1 ILE 49 0.048 7.270 -0.008 406 HG21 ILE 49 1HG2 ILE 49 -3.148 5.279 -0.149 407 HG22 ILE 49 2HG2 ILE 49 -2.339 3.836 -0.813 408 HG23 ILE 49 3HG2 ILE 49 -1.960 4.410 0.822 409 HD11 ILE 49 3HD1 ILE 49 -2.439 7.785 0.410 410 HD12 ILE 49 1HD1 ILE 49 -2.313 6.676 1.797 411 HD13 ILE 49 2HD1 ILE 49 -1.305 8.125 1.732 412 H SER 50 H SER 50 -0.404 5.757 -3.580 413 HA SER 50 HA SER 50 -1.745 3.657 -4.899 414 HB2 SER 50 1HB SER 50 -0.475 4.968 -6.961 415 HB3 SER 50 2HB SER 50 -2.017 5.427 -6.228 416 HG SER 50 HG SER 50 0.508 6.407 -5.337 417 H GLN 51 H GLN 51 1.760 4.530 -5.096 418 HA GLN 51 HA GLN 51 2.540 2.662 -6.949 419 HB2 GLN 51 1HB GLN 51 3.886 4.530 -6.081 420 HB3 GLN 51 2HB GLN 51 3.975 3.784 -4.500 421 HG2 GLN 51 1HG GLN 51 6.069 3.492 -5.618 422 HG3 GLN 51 2HG GLN 51 5.320 1.914 -5.407 423 HE21 GLN 51 1HE2 GLN 51 6.422 0.895 -7.193 424 HE22 GLN 51 2HE2 GLN 51 6.136 1.382 -8.846 425 H ALA 52 H ALA 52 2.016 2.112 -3.488 426 HA ALA 52 HA ALA 52 3.059 -0.636 -3.659 427 HB1 ALA 52 1HB ALA 52 2.154 -0.830 -1.324 428 HB2 ALA 52 2HB ALA 52 3.291 0.497 -1.490 429 HB3 ALA 52 3HB ALA 52 1.545 0.836 -1.440 430 H TYR 53 H TYR 53 -0.207 0.786 -3.111 431 HA TYR 53 HA TYR 53 -1.495 -1.732 -3.106 432 HB2 TYR 53 1HB TYR 53 -2.435 0.371 -2.218 433 HB3 TYR 53 2HB TYR 53 -2.578 1.010 -3.829 434 HD1 TYR 53 1HD TYR 53 -3.798 -1.810 -1.621 435 HD2 TYR 53 2HD TYR 53 -4.476 0.558 -5.142 436 HE1 TYR 53 1HE TYR 53 -6.072 -2.783 -1.828 437 HE2 TYR 53 2HE TYR 53 -6.751 -0.376 -5.364 438 HH TYR 53 HH TYR 53 -8.141 -2.113 -4.623 439 H GLU 54 H GLU 54 -0.317 0.160 -5.812 440 HA GLU 54 HA GLU 54 -2.076 -0.724 -7.868 441 HB2 GLU 54 1HB GLU 54 -0.543 1.209 -8.041 442 HB3 GLU 54 2HB GLU 54 0.847 0.138 -7.947 443 HG2 GLU 54 1HG GLU 54 0.519 0.809 -10.226 444 HG3 GLU 54 2HG GLU 54 0.196 -0.907 -10.097 445 H VAL 55 H VAL 55 1.087 -1.997 -6.745 446 HA VAL 55 HA VAL 55 1.194 -4.205 -8.559 447 HB VAL 55 HB VAL 55 2.545 -3.843 -5.843 448 HG11 VAL 55 1HG1 VAL 55 3.461 -5.500 -8.249 449 HG12 VAL 55 2HG1 VAL 55 4.320 -5.293 -6.712 450 HG13 VAL 55 3HG1 VAL 55 2.790 -6.169 -6.745 451 HG21 VAL 55 3HG2 VAL 55 4.472 -2.991 -7.251 452 HG22 VAL 55 1HG2 VAL 55 3.379 -2.942 -8.638 453 HG23 VAL 55 2HG2 VAL 55 3.083 -1.915 -7.213 454 H LEU 56 H LEU 56 -0.442 -3.690 -5.546 455 HA LEU 56 HA LEU 56 -1.061 -6.551 -5.209 456 HB2 LEU 56 1HB LEU 56 -2.037 -4.229 -3.543 457 HB3 LEU 56 2HB LEU 56 -1.914 -5.936 -3.081 458 HG LEU 56 HG LEU 56 0.492 -4.154 -3.645 459 HD11 LEU 56 1HD1 LEU 56 -0.449 -5.068 -0.950 460 HD12 LEU 56 2HD1 LEU 56 -0.874 -3.472 -1.644 461 HD13 LEU 56 3HD1 LEU 56 0.815 -3.900 -1.381 462 HD21 LEU 56 3HD2 LEU 56 1.779 -5.910 -2.535 463 HD22 LEU 56 1HD2 LEU 56 1.018 -6.515 -4.005 464 HD23 LEU 56 2HD2 LEU 56 0.330 -6.928 -2.409 465 H SER 57 H SER 57 -2.433 -4.077 -7.101 466 HA SER 57 HA SER 57 -5.201 -4.818 -6.520 467 HB2 SER 57 1HB SER 57 -4.220 -2.455 -7.005 468 HB3 SER 57 2HB SER 57 -4.353 -2.928 -8.708 469 HG SER 57 HG SER 57 -6.573 -3.249 -8.368 470 H ASP 58 H ASP 58 -2.754 -5.587 -8.982 471 HA ASP 58 HA ASP 58 -4.751 -7.140 -10.557 472 HB2 ASP 58 1HB ASP 58 -2.563 -6.030 -11.529 473 HB3 ASP 58 2HB ASP 58 -1.762 -7.398 -10.805 474 H ALA 59 H ALA 59 -4.486 -9.485 -10.631 475 HA ALA 59 HA ALA 59 -3.454 -10.711 -8.121 476 HB1 ALA 59 1HB ALA 59 -5.516 -11.638 -8.944 477 HB2 ALA 59 2HB ALA 59 -4.787 -11.960 -10.549 478 HB3 ALA 59 3HB ALA 59 -4.203 -12.816 -9.106 479 H LYS 60 H LYS 60 -2.729 -10.680 -11.707 480 HA LYS 60 HA LYS 60 -0.485 -12.363 -11.495 481 HB2 LYS 60 1HB LYS 60 -1.718 -10.629 -13.527 482 HB3 LYS 60 2HB LYS 60 0.026 -10.566 -13.630 483 HG2 LYS 60 1HG LYS 60 -0.104 -13.208 -13.434 484 HG3 LYS 60 2HG LYS 60 -1.781 -12.944 -13.954 485 HD2 LYS 60 1HD LYS 60 -0.881 -11.702 -15.966 486 HD3 LYS 60 2HD LYS 60 0.765 -12.005 -15.378 487 HE2 LYS 60 1HE LYS 60 0.255 -13.679 -17.063 488 HE3 LYS 60 2HE LYS 60 0.316 -14.459 -15.473 489 HZ1 LYS 60 3HZ LYS 60 -2.014 -14.448 -15.357 490 HZ2 LYS 60 1HZ LYS 60 -1.619 -15.176 -16.733 491 HZ3 LYS 60 2HZ LYS 60 -2.198 -13.612 -16.769 492 H LYS 61 H LYS 61 -0.653 -8.859 -11.022 493 HA LYS 61 HA LYS 61 2.250 -8.577 -10.901 494 HB2 LYS 61 1HB LYS 61 0.051 -6.910 -9.590 495 HB3 LYS 61 2HB LYS 61 1.760 -6.524 -9.517 496 HG2 LYS 61 1HG LYS 61 1.046 -6.882 -12.295 497 HG3 LYS 61 2HG LYS 61 -0.179 -5.885 -11.543 498 HD2 LYS 61 1HD LYS 61 1.419 -4.340 -12.354 499 HD3 LYS 61 2HD LYS 61 1.673 -4.409 -10.610 500 HE2 LYS 61 1HE LYS 61 3.866 -4.562 -11.480 501 HE3 LYS 61 2HE LYS 61 3.447 -6.254 -11.133 502 HZ1 LYS 61 3HZ LYS 61 3.562 -4.857 -13.702 503 HZ2 LYS 61 1HZ LYS 61 2.683 -6.210 -13.588 504 HZ3 LYS 61 2HZ LYS 61 4.313 -6.264 -13.261 505 H ARG 62 H ARG 62 -0.249 -8.901 -8.302 506 HA ARG 62 HA ARG 62 1.657 -9.277 -6.311 507 HB2 ARG 62 1HB ARG 62 -0.919 -9.011 -5.992 508 HB3 ARG 62 2HB ARG 62 -0.918 -10.788 -6.005 509 HG2 ARG 62 1HG ARG 62 1.025 -10.560 -4.274 510 HG3 ARG 62 2HG ARG 62 0.577 -8.870 -4.145 511 HD2 ARG 62 1HD ARG 62 -1.489 -11.060 -3.691 512 HD3 ARG 62 2HD ARG 62 -0.213 -10.688 -2.494 513 HE ARG 62 HE ARG 62 -1.078 -8.774 -1.893 514 HH11 ARG 62 1HH1 ARG 62 -3.109 -10.213 -4.420 515 HH12 ARG 62 2HH1 ARG 62 -4.275 -8.959 -4.457 516 HH21 ARG 62 1HH2 ARG 62 -2.937 -7.419 -1.491 517 HH22 ARG 62 2HH2 ARG 62 -4.296 -7.447 -2.575 518 H GLU 63 H GLU 63 0.452 -11.761 -8.520 519 HA GLU 63 HA GLU 63 1.281 -14.097 -7.350 520 HB2 GLU 63 1HB GLU 63 -0.033 -13.816 -9.474 521 HB3 GLU 63 2HB GLU 63 1.424 -13.261 -10.290 522 HG2 GLU 63 1HG GLU 63 2.406 -15.537 -10.039 523 HG3 GLU 63 2HG GLU 63 0.912 -16.071 -9.277 524 H LEU 64 H LEU 64 3.406 -11.766 -8.954 525 HA LEU 64 HA LEU 64 5.731 -13.616 -8.622 526 HB2 LEU 64 1HB LEU 64 5.345 -11.002 -10.130 527 HB3 LEU 64 2HB LEU 64 6.930 -11.705 -9.782 528 HG LEU 64 HG LEU 64 6.492 -13.674 -11.065 529 HD11 LEU 64 1HD1 LEU 64 4.389 -13.771 -12.517 530 HD12 LEU 64 2HD1 LEU 64 3.714 -12.522 -11.451 531 HD13 LEU 64 3HD1 LEU 64 4.187 -14.120 -10.795 532 HD21 LEU 64 3HD2 LEU 64 7.368 -11.657 -12.179 533 HD22 LEU 64 1HD2 LEU 64 5.724 -11.142 -12.575 534 HD23 LEU 64 2HD2 LEU 64 6.386 -12.621 -13.295 535 H TYR 65 H TYR 65 4.513 -10.403 -7.644 536 HA TYR 65 HA TYR 65 6.655 -9.569 -5.978 537 HB2 TYR 65 1HB TYR 65 5.031 -8.020 -6.691 538 HB3 TYR 65 2HB TYR 65 3.698 -9.032 -6.124 539 HD1 TYR 65 1HD TYR 65 6.531 -6.897 -4.957 540 HD2 TYR 65 2HD TYR 65 2.942 -9.024 -3.883 541 HE1 TYR 65 1HE TYR 65 6.670 -5.964 -2.691 542 HE2 TYR 65 2HE TYR 65 3.026 -8.089 -1.624 543 HH TYR 65 HH TYR 65 5.872 -6.175 -0.534 544 H ASP 66 H ASP 66 4.136 -11.932 -5.416 545 HA ASP 66 HA ASP 66 4.278 -12.416 -2.667 546 HB2 ASP 66 1HB ASP 66 2.821 -13.562 -4.272 547 HB3 ASP 66 2HB ASP 66 4.198 -14.384 -4.983 548 H LYS 67 H LYS 67 6.537 -13.578 -5.191 549 HA LYS 67 HA LYS 67 8.519 -14.339 -3.100 550 HB2 LYS 67 1HB LYS 67 8.808 -16.481 -4.146 551 HB3 LYS 67 2HB LYS 67 7.155 -16.282 -3.590 552 HG2 LYS 67 1HG LYS 67 6.338 -15.918 -5.841 553 HG3 LYS 67 2HG LYS 67 7.964 -15.727 -6.483 554 HD2 LYS 67 1HD LYS 67 8.387 -18.163 -5.648 555 HD3 LYS 67 2HD LYS 67 6.612 -18.264 -5.560 556 HE2 LYS 67 1HE LYS 67 6.526 -17.495 -7.966 557 HE3 LYS 67 2HE LYS 67 8.290 -17.435 -7.985 558 HZ1 LYS 67 3HZ LYS 67 8.291 -19.844 -7.494 559 HZ2 LYS 67 1HZ LYS 67 7.517 -19.508 -8.918 560 HZ3 LYS 67 2HZ LYS 67 6.643 -19.853 -7.594 561 H GLY 68 H GLY 68 8.754 -11.972 -4.851 562 HA2 GLY 68 1HA GLY 68 11.359 -12.320 -5.842 563 HA3 GLY 68 2HA GLY 68 10.234 -12.552 -7.197 564 H GLY 69 H GLY 69 8.406 -10.749 -7.241 565 HA2 GLY 69 1HA GLY 69 7.863 -8.517 -7.463 566 HA3 GLY 69 2HA GLY 69 8.934 -8.194 -6.097 567 H GLU 70 H GLU 70 10.624 -9.723 -8.634 568 HA GLU 70 HA GLU 70 12.173 -7.298 -9.115 569 HB2 GLU 70 1HB GLU 70 13.031 -9.526 -8.317 570 HB3 GLU 70 2HB GLU 70 12.714 -10.179 -9.908 571 HG2 GLU 70 1HG GLU 70 14.457 -7.720 -9.535 572 HG3 GLU 70 2HG GLU 70 15.099 -9.319 -9.171 573 H GLN 71 H GLN 71 9.558 -7.305 -10.329 574 HA GLN 71 HA GLN 71 10.342 -6.664 -13.045 575 HB2 GLN 71 1HB GLN 71 8.113 -8.719 -12.581 576 HB3 GLN 71 2HB GLN 71 8.300 -7.757 -14.020 577 HG2 GLN 71 1HG GLN 71 10.660 -8.669 -14.211 578 HG3 GLN 71 2HG GLN 71 10.134 -9.917 -13.053 579 HE21 GLN 71 1HE2 GLN 71 10.550 -9.340 -16.253 580 HE22 GLN 71 2HE2 GLN 71 9.362 -10.436 -16.957 Start of MODEL 19 1 H1 GLY 1 H GLY 1 12.201 6.213 13.792 2 HA2 GLY 1 1HA GLY 1 14.826 5.469 14.941 3 HA3 GLY 1 2HA GLY 1 13.776 4.319 14.080 4 H MET 2 H MET 2 14.569 3.957 12.060 5 HA MET 2 HA MET 2 14.925 6.205 10.215 6 HB2 MET 2 1HB MET 2 17.189 5.546 9.566 7 HB3 MET 2 2HB MET 2 17.166 5.854 11.296 8 HG2 MET 2 1HG MET 2 16.609 3.142 11.231 9 HG3 MET 2 2HG MET 2 17.629 3.332 9.817 10 HE1 MET 2 3HE MET 2 17.602 5.045 13.462 11 HE2 MET 2 1HE MET 2 17.340 3.298 13.696 12 HE3 MET 2 2HE MET 2 18.845 4.056 14.229 13 H VAL 3 H VAL 3 13.299 3.627 10.786 14 HA VAL 3 HA VAL 3 14.057 1.921 8.543 15 HB VAL 3 HB VAL 3 13.859 0.959 10.669 16 HG11 VAL 3 1HG1 VAL 3 10.929 1.710 10.813 17 HG12 VAL 3 2HG1 VAL 3 11.808 0.669 11.937 18 HG13 VAL 3 3HG1 VAL 3 12.223 2.377 11.827 19 HG21 VAL 3 3HG2 VAL 3 11.489 -0.105 9.158 20 HG22 VAL 3 1HG2 VAL 3 13.165 -0.317 8.594 21 HG23 VAL 3 2HG2 VAL 3 12.675 -0.965 10.158 22 H LYS 4 H LYS 4 13.566 3.016 6.725 23 HA LYS 4 HA LYS 4 10.719 3.099 6.019 24 HB2 LYS 4 1HB LYS 4 11.000 5.222 4.831 25 HB3 LYS 4 2HB LYS 4 11.101 5.395 6.568 26 HG2 LYS 4 1HG LYS 4 13.760 5.063 5.307 27 HG3 LYS 4 2HG LYS 4 12.859 6.440 4.674 28 HD2 LYS 4 1HD LYS 4 12.515 7.357 6.876 29 HD3 LYS 4 2HD LYS 4 13.288 5.960 7.660 30 HE2 LYS 4 1HE LYS 4 15.434 6.510 6.838 31 HE3 LYS 4 2HE LYS 4 14.799 7.633 5.626 32 HZ1 LYS 4 3HZ LYS 4 14.374 8.127 8.491 33 HZ2 LYS 4 1HZ LYS 4 14.268 9.179 7.241 34 HZ3 LYS 4 2HZ LYS 4 15.750 8.643 7.721 35 H GLU 5 H GLU 5 12.326 1.067 5.632 36 HA GLU 5 HA GLU 5 12.289 0.895 2.741 37 HB2 GLU 5 1HB GLU 5 14.325 -0.412 2.579 38 HB3 GLU 5 2HB GLU 5 14.678 1.209 3.145 39 HG2 GLU 5 1HG GLU 5 14.673 0.123 5.540 40 HG3 GLU 5 2HG GLU 5 14.832 -1.397 4.658 41 H THR 6 H THR 6 10.399 -0.279 2.824 42 HA THR 6 HA THR 6 10.606 -2.944 3.889 43 HB THR 6 HB THR 6 7.916 -2.269 4.418 44 HG1 THR 6 1HG THR 6 8.378 -0.210 4.677 45 HG21 THR 6 3HG2 THR 6 8.495 -2.935 6.750 46 HG22 THR 6 1HG2 THR 6 10.196 -3.022 6.239 47 HG23 THR 6 2HG2 THR 6 8.964 -4.073 5.481 48 H THR 7 H THR 7 8.770 -4.236 2.966 49 HA THR 7 HA THR 7 8.590 -3.656 0.164 50 HB THR 7 HB THR 7 8.826 -5.893 1.277 51 HG1 THR 7 1HG THR 7 8.312 -5.974 -0.803 52 HG21 THR 7 3HG2 THR 7 6.835 -7.047 2.066 53 HG22 THR 7 1HG2 THR 7 5.850 -5.611 1.776 54 HG23 THR 7 2HG2 THR 7 7.107 -5.582 3.066 55 H TYR 8 H TYR 8 6.186 -4.402 -0.573 56 HA TYR 8 HA TYR 8 4.495 -2.024 -0.193 57 HB2 TYR 8 1HB TYR 8 3.923 -4.491 -1.853 58 HB3 TYR 8 2HB TYR 8 3.122 -2.952 -1.966 59 HD1 TYR 8 2HD TYR 8 5.432 -1.039 -2.027 60 HD2 TYR 8 1HD TYR 8 4.862 -4.848 -3.889 61 HE1 TYR 8 2HE TYR 8 6.928 -0.328 -3.883 62 HE2 TYR 8 1HE TYR 8 6.509 -4.263 -5.656 63 HH TYR 8 HH TYR 8 8.572 -2.535 -5.827 64 H TYR 9 H TYR 9 4.583 -3.047 2.229 65 HA TYR 9 HA TYR 9 1.751 -3.785 2.580 66 HB2 TYR 9 1HB TYR 9 4.022 -5.492 3.635 67 HB3 TYR 9 2HB TYR 9 2.459 -5.410 4.452 68 HD1 TYR 9 2HD TYR 9 0.341 -5.654 2.705 69 HD2 TYR 9 1HD TYR 9 4.251 -7.440 2.247 70 HE1 TYR 9 2HE TYR 9 -0.629 -7.465 1.322 71 HE2 TYR 9 1HE TYR 9 3.264 -9.249 0.887 72 HH TYR 9 HH TYR 9 -0.245 -9.596 0.406 73 H ASP 10 H ASP 10 4.835 -3.211 4.407 74 HA ASP 10 HA ASP 10 3.483 -1.846 6.482 75 HB2 ASP 10 1HB ASP 10 6.213 -2.539 5.878 76 HB3 ASP 10 2HB ASP 10 6.153 -0.870 6.369 77 H VAL 11 H VAL 11 4.554 -0.656 3.328 78 HA VAL 11 HA VAL 11 4.398 2.096 3.801 79 HB VAL 11 HB VAL 11 3.258 0.607 1.393 80 HG11 VAL 11 1HG1 VAL 11 4.013 3.546 1.676 81 HG12 VAL 11 2HG1 VAL 11 3.610 2.742 0.148 82 HG13 VAL 11 3HG1 VAL 11 2.378 2.887 1.392 83 HG21 VAL 11 3HG2 VAL 11 6.017 1.817 1.747 84 HG22 VAL 11 1HG2 VAL 11 5.606 0.097 1.475 85 HG23 VAL 11 2HG2 VAL 11 5.344 1.284 0.209 86 H LEU 12 H LEU 12 1.846 -0.339 3.565 87 HA LEU 12 HA LEU 12 -0.288 1.695 3.722 88 HB2 LEU 12 1HB LEU 12 -0.537 -1.254 3.216 89 HB3 LEU 12 2HB LEU 12 -1.774 -0.024 3.030 90 HG LEU 12 HG LEU 12 0.409 0.876 1.417 91 HD11 LEU 12 1HD1 LEU 12 -0.012 -2.123 1.192 92 HD12 LEU 12 2HD1 LEU 12 1.500 -1.235 1.372 93 HD13 LEU 12 3HD1 LEU 12 0.585 -1.155 -0.152 94 HD21 LEU 12 3HD2 LEU 12 -2.028 -0.495 0.345 95 HD22 LEU 12 1HD2 LEU 12 -1.015 0.755 -0.383 96 HD23 LEU 12 2HD2 LEU 12 -2.019 1.158 1.020 97 H GLY 13 H GLY 13 1.670 0.555 5.906 98 HA2 GLY 13 1HA GLY 13 1.639 0.065 8.094 99 HA3 GLY 13 2HA GLY 13 0.091 0.927 8.146 100 H VAL 14 H VAL 14 0.669 -2.121 6.303 101 HA VAL 14 HA VAL 14 -0.974 -3.569 8.318 102 HB VAL 14 HB VAL 14 -1.723 -5.070 6.543 103 HG11 VAL 14 1HG1 VAL 14 -2.555 -2.198 6.056 104 HG12 VAL 14 2HG1 VAL 14 -3.475 -3.659 5.642 105 HG13 VAL 14 3HG1 VAL 14 -3.177 -3.263 7.335 106 HG21 VAL 14 3HG2 VAL 14 -1.649 -4.438 4.181 107 HG22 VAL 14 1HG2 VAL 14 -0.646 -3.026 4.563 108 HG23 VAL 14 2HG2 VAL 14 -0.009 -4.655 4.810 109 H LYS 15 H LYS 15 -0.244 -5.560 8.898 110 HA LYS 15 HA LYS 15 2.490 -6.193 8.736 111 HB2 LYS 15 1HB LYS 15 1.585 -8.635 9.147 112 HB3 LYS 15 2HB LYS 15 1.544 -7.395 10.384 113 HG2 LYS 15 1HG LYS 15 -0.488 -8.738 10.319 114 HG3 LYS 15 2HG LYS 15 -0.789 -7.031 10.111 115 HD2 LYS 15 1HD LYS 15 -1.228 -7.300 7.767 116 HD3 LYS 15 2HD LYS 15 -0.712 -8.987 7.828 117 HE2 LYS 15 1HE LYS 15 -3.028 -7.968 9.510 118 HE3 LYS 15 2HE LYS 15 -3.256 -8.309 7.807 119 HZ1 LYS 15 3HZ LYS 15 -3.858 -10.191 8.962 120 HZ2 LYS 15 1HZ LYS 15 -2.480 -10.306 9.847 121 HZ3 LYS 15 2HZ LYS 15 -2.470 -10.580 8.202 122 HA PRO 16 HA PRO 16 2.808 -7.703 4.599 123 HB2 PRO 16 1HB PRO 16 5.135 -9.107 4.618 124 HB3 PRO 16 2HB PRO 16 5.045 -7.345 4.811 125 HG2 PRO 16 1HG PRO 16 5.170 -9.408 7.011 126 HG3 PRO 16 2HG PRO 16 6.242 -7.995 6.789 127 HD2 PRO 16 1HD PRO 16 4.080 -7.901 8.414 128 HD3 PRO 16 2HD PRO 16 4.501 -6.490 7.402 129 H ASN 17 H ASN 17 1.685 -9.569 6.947 130 HA ASN 17 HA ASN 17 1.003 -11.778 5.046 131 HB2 ASN 17 1HB ASN 17 2.098 -12.574 7.136 132 HB3 ASN 17 2HB ASN 17 0.783 -11.848 8.081 133 HD21 ASN 17 1HD2 ASN 17 0.696 -14.210 8.797 134 HD22 ASN 17 2HD2 ASN 17 -0.087 -15.391 7.775 135 H ALA 18 H ALA 18 -0.042 -9.225 4.729 136 HA ALA 18 HA ALA 18 -2.801 -9.223 5.774 137 HB1 ALA 18 1HB ALA 18 -3.029 -7.201 4.370 138 HB2 ALA 18 2HB ALA 18 -1.604 -7.071 5.404 139 HB3 ALA 18 3HB ALA 18 -1.409 -7.485 3.687 140 H THR 19 H THR 19 -4.481 -8.889 3.924 141 HA THR 19 HA THR 19 -4.194 -10.898 1.789 142 HB THR 19 HB THR 19 -6.756 -11.146 2.565 143 HG1 THR 19 1HG THR 19 -6.932 -10.961 4.783 144 HG21 THR 19 3HG2 THR 19 -6.018 -12.999 4.005 145 HG22 THR 19 1HG2 THR 19 -4.427 -12.243 4.194 146 HG23 THR 19 2HG2 THR 19 -4.927 -12.894 2.630 147 H GLN 20 H GLN 20 -5.933 -10.560 0.038 148 HA GLN 20 HA GLN 20 -5.532 -8.030 -1.191 149 HB2 GLN 20 1HB GLN 20 -7.765 -10.068 -1.591 150 HB3 GLN 20 2HB GLN 20 -7.379 -8.776 -2.726 151 HG2 GLN 20 1HG GLN 20 -5.307 -10.900 -2.043 152 HG3 GLN 20 2HG GLN 20 -6.631 -11.198 -3.180 153 HE21 GLN 20 1HE2 GLN 20 -4.203 -8.540 -2.676 154 HE22 GLN 20 2HE2 GLN 20 -3.930 -8.373 -4.402 155 H GLU 21 H GLU 21 -8.325 -9.342 0.596 156 HA GLU 21 HA GLU 21 -10.068 -7.242 0.415 157 HB2 GLU 21 1HB GLU 21 -10.889 -8.196 2.628 158 HB3 GLU 21 2HB GLU 21 -10.984 -9.148 1.124 159 HG2 GLU 21 1HG GLU 21 -9.091 -10.386 1.677 160 HG3 GLU 21 2HG GLU 21 -8.746 -9.473 3.158 161 H GLU 22 H GLU 22 -7.567 -7.930 2.859 162 HA GLU 22 HA GLU 22 -8.119 -5.720 4.561 163 HB2 GLU 22 1HB GLU 22 -5.631 -7.431 4.162 164 HB3 GLU 22 2HB GLU 22 -5.708 -6.118 5.360 165 HG2 GLU 22 1HG GLU 22 -7.717 -8.418 5.300 166 HG3 GLU 22 2HG GLU 22 -6.190 -8.473 6.160 167 H LEU 23 H LEU 23 -5.831 -6.059 1.709 168 HA LEU 23 HA LEU 23 -4.808 -3.465 1.935 169 HB2 LEU 23 1HB LEU 23 -5.253 -5.378 -0.360 170 HB3 LEU 23 2HB LEU 23 -4.953 -3.702 -0.766 171 HG LEU 23 HG LEU 23 -2.955 -5.036 -0.805 172 HD11 LEU 23 1HD1 LEU 23 -1.477 -3.593 0.505 173 HD12 LEU 23 2HD1 LEU 23 -2.803 -3.010 1.483 174 HD13 LEU 23 3HD1 LEU 23 -2.733 -2.632 -0.277 175 HD21 LEU 23 3HD2 LEU 23 -1.857 -5.743 1.276 176 HD22 LEU 23 1HD2 LEU 23 -3.297 -6.687 0.847 177 HD23 LEU 23 2HD2 LEU 23 -3.360 -5.463 2.158 178 H LYS 24 H LYS 24 -7.824 -4.494 0.278 179 HA LYS 24 HA LYS 24 -8.454 -1.832 -0.603 180 HB2 LYS 24 1HB LYS 24 -10.112 -4.336 -0.232 181 HB3 LYS 24 2HB LYS 24 -10.797 -2.847 -0.884 182 HG2 LYS 24 1HG LYS 24 -9.680 -2.987 -2.885 183 HG3 LYS 24 2HG LYS 24 -8.242 -3.738 -2.187 184 HD2 LYS 24 1HD LYS 24 -9.468 -5.883 -1.981 185 HD3 LYS 24 2HD LYS 24 -10.856 -5.169 -2.805 186 HE2 LYS 24 1HE LYS 24 -8.097 -5.075 -4.099 187 HE3 LYS 24 2HE LYS 24 -8.979 -6.596 -4.070 188 HZ1 LYS 24 3HZ LYS 24 -9.556 -5.646 -6.063 189 HZ2 LYS 24 1HZ LYS 24 -9.842 -4.141 -5.442 190 HZ3 LYS 24 2HZ LYS 24 -10.862 -5.406 -5.128 191 H LYS 25 H LYS 25 -9.054 -3.385 2.680 192 HA LYS 25 HA LYS 25 -10.958 -1.393 3.526 193 HB2 LYS 25 1HB LYS 25 -11.335 -3.503 4.263 194 HB3 LYS 25 2HB LYS 25 -9.619 -3.957 4.327 195 HG2 LYS 25 1HG LYS 25 -9.166 -2.885 6.107 196 HG3 LYS 25 2HG LYS 25 -10.655 -1.890 6.249 197 HD2 LYS 25 1HD LYS 25 -12.008 -3.876 6.586 198 HD3 LYS 25 2HD LYS 25 -10.593 -4.926 6.449 199 HE2 LYS 25 1HE LYS 25 -9.596 -3.754 8.461 200 HE3 LYS 25 2HE LYS 25 -11.132 -2.894 8.665 201 HZ1 LYS 25 3HZ LYS 25 -12.182 -5.094 8.963 202 HZ2 LYS 25 1HZ LYS 25 -11.014 -4.802 10.083 203 HZ3 LYS 25 2HZ LYS 25 -10.692 -5.811 8.855 204 H ALA 26 H ALA 26 -7.471 -2.247 4.096 205 HA ALA 26 HA ALA 26 -6.938 -0.147 5.878 206 HB1 ALA 26 1HB ALA 26 -5.116 -1.774 4.087 207 HB2 ALA 26 2HB ALA 26 -4.575 -0.713 5.405 208 HB3 ALA 26 3HB ALA 26 -5.591 -2.136 5.754 209 H TYR 27 H TYR 27 -6.817 -0.366 2.366 210 HA TYR 27 HA TYR 27 -5.542 2.089 1.812 211 HB2 TYR 27 1HB TYR 27 -5.834 0.404 0.101 212 HB3 TYR 27 2HB TYR 27 -7.589 0.526 0.195 213 HD1 TYR 27 1HD TYR 27 -4.482 2.363 -0.665 214 HD2 TYR 27 2HD TYR 27 -8.747 2.187 -1.047 215 HE1 TYR 27 1HE TYR 27 -4.359 4.164 -2.382 216 HE2 TYR 27 2HE TYR 27 -8.662 3.917 -2.865 217 HH TYR 27 HH TYR 27 -5.730 5.095 -4.293 218 H ARG 28 H ARG 28 -9.087 1.374 2.060 219 HA ARG 28 HA ARG 28 -10.050 3.976 1.752 220 HB2 ARG 28 1HB ARG 28 -11.011 1.612 3.365 221 HB3 ARG 28 2HB ARG 28 -11.867 3.137 3.414 222 HG2 ARG 28 1HG ARG 28 -11.912 2.933 0.781 223 HG3 ARG 28 2HG ARG 28 -11.477 1.237 1.079 224 HD2 ARG 28 1HD ARG 28 -13.477 1.382 2.843 225 HD3 ARG 28 2HD ARG 28 -13.946 2.785 1.900 226 HE ARG 28 HE ARG 28 -14.317 1.423 -0.006 227 HH11 ARG 28 1HH1 ARG 28 -13.900 -0.453 2.990 228 HH12 ARG 28 2HH1 ARG 28 -14.664 -1.885 2.365 229 HH21 ARG 28 1HH2 ARG 28 -15.400 -0.422 -0.779 230 HH22 ARG 28 2HH2 ARG 28 -15.471 -1.872 0.135 231 H LYS 29 H LYS 29 -8.907 2.502 4.813 232 HA LYS 29 HA LYS 29 -9.562 4.923 6.291 233 HB2 LYS 29 1HB LYS 29 -8.189 4.013 8.154 234 HB3 LYS 29 2HB LYS 29 -9.458 2.924 7.603 235 HG2 LYS 29 1HG LYS 29 -7.944 1.591 6.388 236 HG3 LYS 29 2HG LYS 29 -6.606 2.725 6.634 237 HD2 LYS 29 1HD LYS 29 -7.821 1.200 8.938 238 HD3 LYS 29 2HD LYS 29 -6.537 0.573 7.861 239 HE2 LYS 29 1HE LYS 29 -5.249 2.739 8.365 240 HE3 LYS 29 2HE LYS 29 -6.392 3.005 9.683 241 HZ1 LYS 29 3HZ LYS 29 -5.672 0.935 10.661 242 HZ2 LYS 29 1HZ LYS 29 -4.351 1.857 10.347 243 HZ3 LYS 29 2HZ LYS 29 -4.652 0.617 9.364 244 H LEU 30 H LEU 30 -6.544 3.881 4.637 245 HA LEU 30 HA LEU 30 -5.128 6.127 5.850 246 HB2 LEU 30 1HB LEU 30 -4.311 3.989 3.923 247 HB3 LEU 30 2HB LEU 30 -3.225 5.312 4.361 248 HG LEU 30 HG LEU 30 -4.529 3.491 6.430 249 HD11 LEU 30 1HD1 LEU 30 -1.785 3.260 5.144 250 HD12 LEU 30 2HD1 LEU 30 -3.140 2.123 4.984 251 HD13 LEU 30 3HD1 LEU 30 -2.345 2.346 6.558 252 HD21 LEU 30 3HD2 LEU 30 -3.063 4.351 8.028 253 HD22 LEU 30 1HD2 LEU 30 -3.499 5.809 7.133 254 HD23 LEU 30 2HD2 LEU 30 -1.947 5.011 6.836 255 H ALA 31 H ALA 31 -6.690 5.505 2.728 256 HA ALA 31 HA ALA 31 -5.646 7.680 1.271 257 HB1 ALA 31 1HB ALA 31 -7.119 5.977 0.261 258 HB2 ALA 31 2HB ALA 31 -8.463 6.461 1.312 259 HB3 ALA 31 3HB ALA 31 -7.853 7.583 0.080 260 H LEU 32 H LEU 32 -8.615 7.600 3.308 261 HA LEU 32 HA LEU 32 -9.025 10.336 3.460 262 HB2 LEU 32 1HB LEU 32 -9.783 7.922 5.149 263 HB3 LEU 32 2HB LEU 32 -10.266 9.556 5.619 264 HG LEU 32 HG LEU 32 -11.391 9.934 3.562 265 HD11 LEU 32 1HD1 LEU 32 -10.296 8.707 1.851 266 HD12 LEU 32 2HD1 LEU 32 -11.949 8.126 1.939 267 HD13 LEU 32 3HD1 LEU 32 -10.667 7.151 2.637 268 HD21 LEU 32 3HD2 LEU 32 -12.221 7.272 4.803 269 HD22 LEU 32 1HD2 LEU 32 -13.297 8.373 3.913 270 HD23 LEU 32 2HD2 LEU 32 -12.610 8.887 5.458 271 H LYS 33 H LYS 33 -6.564 8.488 5.254 272 HA LYS 33 HA LYS 33 -6.271 10.508 7.315 273 HB2 LYS 33 1HB LYS 33 -5.585 8.202 7.770 274 HB3 LYS 33 2HB LYS 33 -4.473 8.212 6.401 275 HG2 LYS 33 1HG LYS 33 -2.818 9.078 7.645 276 HG3 LYS 33 2HG LYS 33 -3.819 10.464 8.032 277 HD2 LYS 33 1HD LYS 33 -3.237 9.668 10.092 278 HD3 LYS 33 2HD LYS 33 -4.885 9.071 9.882 279 HE2 LYS 33 1HE LYS 33 -4.013 6.821 9.324 280 HE3 LYS 33 2HE LYS 33 -2.357 7.452 9.342 281 HZ1 LYS 33 3HZ LYS 33 -2.678 6.442 11.398 282 HZ2 LYS 33 1HZ LYS 33 -4.161 7.182 11.658 283 HZ3 LYS 33 2HZ LYS 33 -2.789 8.053 11.714 284 H TYR 34 H TYR 34 -4.539 9.578 4.297 285 HA TYR 34 HA TYR 34 -2.785 11.921 4.531 286 HB2 TYR 34 1HB TYR 34 -2.891 9.554 2.648 287 HB3 TYR 34 2HB TYR 34 -1.658 10.801 2.595 288 HD1 TYR 34 1HD TYR 34 -0.449 11.314 4.940 289 HD2 TYR 34 2HD TYR 34 -2.397 7.604 3.936 290 HE1 TYR 34 1HE TYR 34 0.923 10.159 6.611 291 HE2 TYR 34 2HE TYR 34 -1.043 6.429 5.558 292 HH TYR 34 HH TYR 34 0.538 6.619 7.318 293 H HIS 35 H HIS 35 -5.877 11.877 3.487 294 HA HIS 35 HA HIS 35 -5.673 12.519 0.779 295 HB2 HIS 35 1HB HIS 35 -7.724 11.989 2.370 296 HB3 HIS 35 2HB HIS 35 -7.792 13.723 2.600 297 HD1 HIS 35 1HD HIS 35 -9.053 15.027 0.729 298 HD2 HIS 35 2HD HIS 35 -8.106 11.032 -0.199 299 HE1 HIS 35 1HE HIS 35 -10.187 14.540 -1.491 300 HA PRO 36 HA PRO 36 -3.554 16.261 1.017 301 HB2 PRO 36 1HB PRO 36 -4.183 17.562 -1.361 302 HB3 PRO 36 2HB PRO 36 -3.090 16.159 -1.196 303 HG2 PRO 36 1HG PRO 36 -6.026 16.150 -1.931 304 HG3 PRO 36 2HG PRO 36 -4.686 15.254 -2.713 305 HD2 PRO 36 1HD PRO 36 -6.311 14.048 -0.967 306 HD3 PRO 36 2HD PRO 36 -4.547 13.732 -0.909 307 H ASP 37 H ASP 37 -7.006 16.688 0.386 308 HA ASP 37 HA ASP 37 -7.203 19.475 0.849 309 HB2 ASP 37 1HB ASP 37 -9.487 19.177 0.767 310 HB3 ASP 37 2HB ASP 37 -8.920 17.754 -0.126 311 H LYS 38 H LYS 38 -6.915 16.814 3.039 312 HA LYS 38 HA LYS 38 -7.240 18.625 5.413 313 HB2 LYS 38 1HB LYS 38 -8.204 15.787 4.906 314 HB3 LYS 38 2HB LYS 38 -8.035 16.388 6.550 315 HG2 LYS 38 1HG LYS 38 -9.671 17.875 4.485 316 HG3 LYS 38 2HG LYS 38 -10.350 16.599 5.488 317 HD2 LYS 38 1HD LYS 38 -9.967 17.831 7.501 318 HD3 LYS 38 2HD LYS 38 -8.944 19.026 6.680 319 HE2 LYS 38 1HE LYS 38 -10.903 19.665 5.255 320 HE3 LYS 38 2HE LYS 38 -11.905 18.562 6.201 321 HZ1 LYS 38 3HZ LYS 38 -11.404 19.887 8.161 322 HZ2 LYS 38 1HZ LYS 38 -12.122 20.770 7.002 323 HZ3 LYS 38 2HZ LYS 38 -10.513 20.959 7.259 324 H ASN 39 H ASN 39 -4.863 17.169 3.741 325 HA ASN 39 HA ASN 39 -3.112 17.126 6.084 326 HB2 ASN 39 1HB ASN 39 -4.222 14.807 5.777 327 HB3 ASN 39 2HB ASN 39 -3.236 14.649 4.324 328 HD21 ASN 39 1HD2 ASN 39 -2.952 12.845 6.371 329 HD22 ASN 39 2HD2 ASN 39 -1.370 13.090 7.130 330 HA PRO 40 HA PRO 40 -1.925 18.696 1.799 331 HB2 PRO 40 1HB PRO 40 -0.941 21.191 2.532 332 HB3 PRO 40 2HB PRO 40 -2.647 20.833 2.127 333 HG2 PRO 40 1HG PRO 40 -1.350 20.991 4.855 334 HG3 PRO 40 2HG PRO 40 -2.910 21.699 4.317 335 HD2 PRO 40 1HD PRO 40 -2.876 19.376 5.679 336 HD3 PRO 40 2HD PRO 40 -3.966 19.580 4.273 337 H ASN 41 H ASN 41 0.023 18.179 4.601 338 HA ASN 41 HA ASN 41 2.608 18.693 3.359 339 HB2 ASN 41 1HB ASN 41 1.629 17.268 5.849 340 HB3 ASN 41 2HB ASN 41 3.232 16.930 5.253 341 HD21 ASN 41 1HD2 ASN 41 1.206 19.839 5.844 342 HD22 ASN 41 2HD2 ASN 41 2.468 20.771 6.614 343 H GLU 42 H GLU 42 0.287 16.043 3.237 344 HA GLU 42 HA GLU 42 2.432 14.075 2.663 345 HB2 GLU 42 1HB GLU 42 -0.369 13.749 3.754 346 HB3 GLU 42 2HB GLU 42 0.846 12.477 3.617 347 HG2 GLU 42 1HG GLU 42 1.341 14.944 5.355 348 HG3 GLU 42 2HG GLU 42 0.430 13.545 5.904 349 H GLY 43 H GLY 43 0.599 15.845 0.724 350 HA2 GLY 43 1HA GLY 43 -1.142 14.079 -0.618 351 HA3 GLY 43 2HA GLY 43 -0.519 15.598 -1.266 352 H GLU 44 H GLU 44 2.455 14.297 -0.965 353 HA GLU 44 HA GLU 44 2.292 12.751 -3.430 354 HB2 GLU 44 1HB GLU 44 3.751 14.767 -3.229 355 HB3 GLU 44 2HB GLU 44 4.687 13.934 -1.986 356 HG2 GLU 44 1HG GLU 44 5.575 12.428 -3.454 357 HG3 GLU 44 2HG GLU 44 4.141 12.401 -4.467 358 H LYS 45 H LYS 45 3.025 12.440 0.077 359 HA LYS 45 HA LYS 45 3.934 9.752 0.010 360 HB2 LYS 45 1HB LYS 45 3.696 11.339 2.038 361 HB3 LYS 45 2HB LYS 45 1.994 10.860 2.072 362 HG2 LYS 45 1HG LYS 45 2.739 8.441 2.174 363 HG3 LYS 45 2HG LYS 45 4.399 9.021 2.349 364 HD2 LYS 45 1HD LYS 45 2.082 9.704 4.211 365 HD3 LYS 45 2HD LYS 45 3.204 8.359 4.498 366 HE2 LYS 45 1HE LYS 45 5.114 10.077 4.314 367 HE3 LYS 45 2HE LYS 45 3.849 11.309 4.410 368 HZ1 LYS 45 3HZ LYS 45 4.997 10.700 6.513 369 HZ2 LYS 45 1HZ LYS 45 4.070 9.324 6.558 370 HZ3 LYS 45 2HZ LYS 45 3.392 10.843 6.516 371 H PHE 46 H PHE 46 0.721 11.137 -0.388 372 HA PHE 46 HA PHE 46 -0.904 8.861 -0.408 373 HB2 PHE 46 1HB PHE 46 -1.376 11.395 -1.041 374 HB3 PHE 46 2HB PHE 46 -1.201 10.832 -2.679 375 HD1 PHE 46 2HD PHE 46 -2.542 8.458 -3.165 376 HD2 PHE 46 1HD PHE 46 -3.590 11.418 -0.204 377 HE1 PHE 46 2HE PHE 46 -4.874 7.647 -3.178 378 HE2 PHE 46 1HE PHE 46 -5.901 10.534 -0.153 379 HZ PHE 46 HZ PHE 46 -6.557 8.671 -1.673 380 H LYS 47 H LYS 47 1.243 10.039 -3.004 381 HA LYS 47 HA LYS 47 0.419 8.109 -4.954 382 HB2 LYS 47 1HB LYS 47 3.089 9.582 -4.801 383 HB3 LYS 47 2HB LYS 47 2.428 8.748 -6.209 384 HG2 LYS 47 1HG LYS 47 0.447 10.340 -6.143 385 HG3 LYS 47 2HG LYS 47 1.253 11.207 -4.826 386 HD2 LYS 47 1HD LYS 47 1.940 12.508 -6.595 387 HD3 LYS 47 2HD LYS 47 3.248 11.340 -6.556 388 HE2 LYS 47 1HE LYS 47 2.681 11.382 -8.819 389 HE3 LYS 47 2HE LYS 47 1.834 9.964 -8.219 390 HZ1 LYS 47 3HZ LYS 47 -0.166 11.410 -8.047 391 HZ2 LYS 47 1HZ LYS 47 0.372 11.236 -9.596 392 HZ3 LYS 47 2HZ LYS 47 0.690 12.621 -8.778 393 H GLN 48 H GLN 48 2.906 7.944 -2.378 394 HA GLN 48 HA GLN 48 3.923 5.375 -3.144 395 HB2 GLN 48 1HB GLN 48 4.019 7.099 -0.693 396 HB3 GLN 48 2HB GLN 48 4.244 5.381 -0.422 397 HG2 GLN 48 1HG GLN 48 5.814 6.861 -2.531 398 HG3 GLN 48 2HG GLN 48 6.316 6.832 -0.846 399 HE21 GLN 48 1HE2 GLN 48 7.693 5.179 -0.302 400 HE22 GLN 48 2HE2 GLN 48 7.826 3.645 -1.127 401 H ILE 49 H ILE 49 0.915 6.308 -1.444 402 HA ILE 49 HA ILE 49 0.377 3.696 -0.352 403 HB ILE 49 HB ILE 49 -1.727 5.707 -1.249 404 HG12 ILE 49 1HG1 ILE 49 -0.156 5.741 1.336 405 HG13 ILE 49 2HG1 ILE 49 -0.199 6.951 0.101 406 HG21 ILE 49 1HG2 ILE 49 -1.759 3.676 1.023 407 HG22 ILE 49 2HG2 ILE 49 -3.130 4.625 0.398 408 HG23 ILE 49 3HG2 ILE 49 -2.413 3.347 -0.592 409 HD11 ILE 49 3HD1 ILE 49 -2.419 6.227 2.015 410 HD12 ILE 49 1HD1 ILE 49 -1.580 7.772 1.801 411 HD13 ILE 49 2HD1 ILE 49 -2.706 7.208 0.550 412 H SER 50 H SER 50 -0.418 5.401 -3.400 413 HA SER 50 HA SER 50 -1.944 3.227 -4.436 414 HB2 SER 50 1HB SER 50 -1.882 5.762 -5.031 415 HB3 SER 50 2HB SER 50 -0.778 5.141 -6.283 416 HG SER 50 HG SER 50 -2.927 5.155 -6.975 417 H GLN 51 H GLN 51 1.552 4.166 -4.905 418 HA GLN 51 HA GLN 51 2.191 2.268 -6.840 419 HB2 GLN 51 1HB GLN 51 3.766 4.021 -6.066 420 HB3 GLN 51 2HB GLN 51 3.865 3.249 -4.466 421 HG2 GLN 51 1HG GLN 51 5.833 2.746 -5.793 422 HG3 GLN 51 2HG GLN 51 4.929 1.306 -5.327 423 HE21 GLN 51 1HE2 GLN 51 3.885 0.013 -7.036 424 HE22 GLN 51 2HE2 GLN 51 4.249 0.358 -8.718 425 H ALA 52 H ALA 52 2.285 1.918 -3.249 426 HA ALA 52 HA ALA 52 3.144 -0.811 -3.428 427 HB1 ALA 52 1HB ALA 52 2.693 -0.813 -0.977 428 HB2 ALA 52 2HB ALA 52 3.568 0.650 -1.451 429 HB3 ALA 52 3HB ALA 52 1.825 0.731 -1.130 430 H TYR 53 H TYR 53 -0.065 0.691 -3.030 431 HA TYR 53 HA TYR 53 -1.536 -1.727 -2.739 432 HB2 TYR 53 1HB TYR 53 -2.379 0.513 -2.199 433 HB3 TYR 53 2HB TYR 53 -2.287 0.977 -3.889 434 HD1 TYR 53 2HD TYR 53 -4.093 -1.183 -1.431 435 HD2 TYR 53 1HD TYR 53 -3.930 0.289 -5.494 436 HE1 TYR 53 2HE TYR 53 -6.435 -1.885 -1.782 437 HE2 TYR 53 1HE TYR 53 -6.258 -0.393 -5.851 438 HH TYR 53 HH TYR 53 -8.013 -1.577 -4.999 439 H GLU 54 H GLU 54 -0.196 -0.142 -5.672 440 HA GLU 54 HA GLU 54 -2.065 -1.350 -7.461 441 HB2 GLU 54 1HB GLU 54 -0.919 0.596 -8.253 442 HB3 GLU 54 2HB GLU 54 0.679 -0.139 -8.017 443 HG2 GLU 54 1HG GLU 54 0.302 -1.779 -9.714 444 HG3 GLU 54 2HG GLU 54 -1.411 -1.423 -9.814 445 H VAL 55 H VAL 55 1.261 -2.311 -6.539 446 HA VAL 55 HA VAL 55 1.422 -4.476 -8.364 447 HB VAL 55 HB VAL 55 2.780 -4.248 -5.654 448 HG11 VAL 55 1HG1 VAL 55 3.631 -5.673 -8.232 449 HG12 VAL 55 2HG1 VAL 55 4.609 -5.532 -6.758 450 HG13 VAL 55 3HG1 VAL 55 3.114 -6.466 -6.732 451 HG21 VAL 55 3HG2 VAL 55 4.632 -3.155 -7.056 452 HG22 VAL 55 1HG2 VAL 55 3.454 -3.025 -8.374 453 HG23 VAL 55 2HG2 VAL 55 3.190 -2.177 -6.840 454 H LEU 56 H LEU 56 -0.243 -4.165 -5.396 455 HA LEU 56 HA LEU 56 -0.850 -7.035 -5.100 456 HB2 LEU 56 1HB LEU 56 -1.878 -4.688 -3.490 457 HB3 LEU 56 2HB LEU 56 -1.857 -6.373 -2.994 458 HG LEU 56 HG LEU 56 0.668 -4.719 -3.510 459 HD11 LEU 56 1HD1 LEU 56 0.816 -4.171 -1.312 460 HD12 LEU 56 2HD1 LEU 56 -0.461 -5.298 -0.789 461 HD13 LEU 56 3HD1 LEU 56 -0.836 -3.803 -1.714 462 HD21 LEU 56 3HD2 LEU 56 0.308 -7.322 -1.993 463 HD22 LEU 56 1HD2 LEU 56 1.805 -6.385 -2.202 464 HD23 LEU 56 2HD2 LEU 56 1.049 -7.145 -3.612 465 H SER 57 H SER 57 -2.331 -4.300 -6.754 466 HA SER 57 HA SER 57 -5.057 -5.152 -6.171 467 HB2 SER 57 1HB SER 57 -5.733 -3.297 -7.533 468 HB3 SER 57 2HB SER 57 -4.513 -2.790 -6.363 469 HG SER 57 HG SER 57 -4.497 -2.709 -9.072 470 H ASP 58 H ASP 58 -2.875 -6.764 -7.953 471 HA ASP 58 HA ASP 58 -4.980 -7.815 -9.732 472 HB2 ASP 58 1HB ASP 58 -3.337 -6.195 -10.982 473 HB3 ASP 58 2HB ASP 58 -2.139 -7.430 -10.732 474 H ALA 59 H ALA 59 -4.763 -10.060 -10.005 475 HA ALA 59 HA ALA 59 -3.253 -11.387 -7.988 476 HB1 ALA 59 1HB ALA 59 -5.387 -12.270 -8.839 477 HB2 ALA 59 2HB ALA 59 -4.672 -12.489 -10.460 478 HB3 ALA 59 3HB ALA 59 -4.096 -13.458 -9.087 479 H LYS 60 H LYS 60 -2.476 -10.781 -11.543 480 HA LYS 60 HA LYS 60 -0.342 -12.707 -11.538 481 HB2 LYS 60 1HB LYS 60 -1.317 -10.457 -13.313 482 HB3 LYS 60 2HB LYS 60 0.294 -11.047 -13.476 483 HG2 LYS 60 1HG LYS 60 -0.932 -13.429 -13.708 484 HG3 LYS 60 2HG LYS 60 -2.306 -12.390 -14.151 485 HD2 LYS 60 1HD LYS 60 -0.398 -11.138 -15.567 486 HD3 LYS 60 2HD LYS 60 0.419 -12.666 -15.478 487 HE2 LYS 60 1HE LYS 60 -1.140 -13.715 -16.879 488 HE3 LYS 60 2HE LYS 60 -2.460 -12.629 -16.393 489 HZ1 LYS 60 3HZ LYS 60 -1.396 -10.845 -17.557 490 HZ2 LYS 60 1HZ LYS 60 -1.644 -12.051 -18.635 491 HZ3 LYS 60 2HZ LYS 60 -0.140 -11.789 -18.026 492 H LYS 61 H LYS 61 -0.521 -9.089 -11.351 493 HA LYS 61 HA LYS 61 2.278 -8.675 -11.004 494 HB2 LYS 61 1HB LYS 61 -0.102 -7.054 -9.996 495 HB3 LYS 61 2HB LYS 61 1.541 -6.622 -9.636 496 HG2 LYS 61 1HG LYS 61 1.461 -7.082 -12.457 497 HG3 LYS 61 2HG LYS 61 0.047 -6.101 -12.069 498 HD2 LYS 61 1HD LYS 61 2.792 -5.383 -10.958 499 HD3 LYS 61 2HD LYS 61 2.403 -4.987 -12.608 500 HE2 LYS 61 1HE LYS 61 0.669 -4.092 -10.278 501 HE3 LYS 61 2HE LYS 61 2.070 -3.184 -10.834 502 HZ1 LYS 61 3HZ LYS 61 -0.490 -3.506 -12.120 503 HZ2 LYS 61 1HZ LYS 61 0.831 -3.414 -13.110 504 HZ3 LYS 61 2HZ LYS 61 0.518 -2.198 -12.064 505 H ARG 62 H ARG 62 -0.294 -9.181 -8.546 506 HA ARG 62 HA ARG 62 1.528 -9.186 -6.432 507 HB2 ARG 62 1HB ARG 62 -0.936 -9.029 -6.152 508 HB3 ARG 62 2HB ARG 62 -1.070 -10.767 -6.470 509 HG2 ARG 62 1HG ARG 62 0.160 -11.355 -4.565 510 HG3 ARG 62 2HG ARG 62 0.896 -9.766 -4.392 511 HD2 ARG 62 1HD ARG 62 -0.975 -8.785 -3.428 512 HD3 ARG 62 2HD ARG 62 -2.048 -10.135 -3.832 513 HE ARG 62 HE ARG 62 -0.138 -9.936 -1.636 514 HH11 ARG 62 1HH1 ARG 62 -2.051 -12.282 -3.541 515 HH12 ARG 62 2HH1 ARG 62 -1.295 -13.652 -2.809 516 HH21 ARG 62 1HH2 ARG 62 0.788 -11.762 -0.632 517 HH22 ARG 62 2HH2 ARG 62 0.159 -13.314 -0.943 518 H GLU 63 H GLU 63 0.702 -12.086 -8.473 519 HA GLU 63 HA GLU 63 1.911 -13.931 -6.693 520 HB2 GLU 63 1HB GLU 63 1.359 -14.015 -9.657 521 HB3 GLU 63 2HB GLU 63 2.303 -15.283 -8.908 522 HG2 GLU 63 1HG GLU 63 0.579 -15.728 -7.245 523 HG3 GLU 63 2HG GLU 63 -0.422 -14.468 -7.917 524 H LEU 64 H LEU 64 3.404 -12.074 -9.371 525 HA LEU 64 HA LEU 64 5.934 -13.426 -9.040 526 HB2 LEU 64 1HB LEU 64 5.118 -10.815 -10.364 527 HB3 LEU 64 2HB LEU 64 6.824 -11.143 -10.058 528 HG LEU 64 HG LEU 64 6.187 -11.698 -12.335 529 HD11 LEU 64 1HD1 LEU 64 8.034 -12.948 -11.210 530 HD12 LEU 64 2HD1 LEU 64 7.261 -13.852 -12.512 531 HD13 LEU 64 3HD1 LEU 64 6.896 -14.250 -10.829 532 HD21 LEU 64 3HD2 LEU 64 4.460 -13.917 -11.188 533 HD22 LEU 64 1HD2 LEU 64 4.698 -13.496 -12.905 534 HD23 LEU 64 2HD2 LEU 64 3.845 -12.377 -11.828 535 H TYR 65 H TYR 65 4.512 -10.484 -7.656 536 HA TYR 65 HA TYR 65 6.698 -9.609 -6.064 537 HB2 TYR 65 1HB TYR 65 4.978 -8.105 -6.463 538 HB3 TYR 65 2HB TYR 65 3.717 -9.247 -6.042 539 HD1 TYR 65 2HD TYR 65 6.444 -7.150 -4.610 540 HD2 TYR 65 1HD TYR 65 2.979 -9.576 -3.794 541 HE1 TYR 65 2HE TYR 65 6.330 -6.223 -2.330 542 HE2 TYR 65 1HE TYR 65 2.813 -8.643 -1.537 543 HH TYR 65 HH TYR 65 3.666 -6.981 -0.055 544 H ASP 66 H ASP 66 4.295 -12.135 -5.439 545 HA ASP 66 HA ASP 66 4.856 -12.447 -2.704 546 HB2 ASP 66 1HB ASP 66 3.052 -13.548 -4.162 547 HB3 ASP 66 2HB ASP 66 4.259 -14.749 -4.590 548 H LYS 67 H LYS 67 6.561 -13.703 -5.539 549 HA LYS 67 HA LYS 67 8.902 -14.449 -3.882 550 HB2 LYS 67 1HB LYS 67 9.063 -16.643 -4.839 551 HB3 LYS 67 2HB LYS 67 7.602 -16.424 -3.900 552 HG2 LYS 67 1HG LYS 67 6.291 -16.917 -5.584 553 HG3 LYS 67 2HG LYS 67 6.991 -15.708 -6.638 554 HD2 LYS 67 1HD LYS 67 8.960 -17.492 -6.884 555 HD3 LYS 67 2HD LYS 67 7.674 -18.651 -6.476 556 HE2 LYS 67 1HE LYS 67 7.560 -16.503 -8.660 557 HE3 LYS 67 2HE LYS 67 8.121 -18.127 -8.950 558 HZ1 LYS 67 3HZ LYS 67 5.921 -18.961 -8.372 559 HZ2 LYS 67 1HZ LYS 67 5.851 -17.853 -9.584 560 HZ3 LYS 67 2HZ LYS 67 5.382 -17.438 -8.072 561 H GLY 68 H GLY 68 9.286 -12.218 -5.268 562 HA2 GLY 68 1HA GLY 68 11.516 -12.624 -6.753 563 HA3 GLY 68 2HA GLY 68 10.268 -12.818 -7.986 564 H GLY 69 H GLY 69 8.411 -10.817 -7.225 565 HA2 GLY 69 1HA GLY 69 8.031 -8.552 -6.875 566 HA3 GLY 69 2HA GLY 69 9.665 -8.434 -6.266 567 H GLU 70 H GLU 70 10.705 -9.341 -9.040 568 HA GLU 70 HA GLU 70 10.316 -6.838 -10.520 569 HB2 GLU 70 1HB GLU 70 12.195 -7.050 -8.595 570 HB3 GLU 70 2HB GLU 70 13.080 -7.835 -9.891 571 HG2 GLU 70 1HG GLU 70 12.460 -5.756 -11.340 572 HG3 GLU 70 2HG GLU 70 11.969 -4.999 -9.823 573 H GLN 71 H GLN 71 10.013 -9.896 -10.717 574 HA GLN 71 HA GLN 71 9.720 -11.353 -12.463 575 HB2 GLN 71 1HB GLN 71 11.325 -9.525 -14.288 576 HB3 GLN 71 2HB GLN 71 10.194 -10.759 -14.769 577 HG2 GLN 71 1HG GLN 71 8.326 -9.454 -14.326 578 HG3 GLN 71 2HG GLN 71 9.142 -8.432 -13.149 579 HE21 GLN 71 1HE2 GLN 71 9.323 -6.383 -13.855 580 HE22 GLN 71 2HE2 GLN 71 9.826 -5.930 -15.482 Start of MODEL 20 1 H1 GLY 1 H GLY 1 8.317 7.244 12.433 2 HA2 GLY 1 1HA GLY 1 10.530 6.622 13.111 3 HA3 GLY 1 2HA GLY 1 10.106 4.922 12.819 4 H MET 2 H MET 2 12.404 5.750 11.573 5 HA MET 2 HA MET 2 11.767 6.900 8.978 6 HB2 MET 2 1HB MET 2 14.209 7.052 8.732 7 HB3 MET 2 2HB MET 2 13.673 7.774 10.238 8 HG2 MET 2 1HG MET 2 14.691 4.910 10.114 9 HG3 MET 2 2HG MET 2 15.761 6.295 10.252 10 HE1 MET 2 3HE MET 2 15.690 3.830 12.458 11 HE2 MET 2 1HE MET 2 16.854 5.151 12.243 12 HE3 MET 2 2HE MET 2 16.087 4.889 13.823 13 H VAL 3 H VAL 3 11.277 3.937 9.782 14 HA VAL 3 HA VAL 3 12.649 2.405 7.682 15 HB VAL 3 HB VAL 3 11.984 1.151 9.550 16 HG11 VAL 3 1HG1 VAL 3 10.277 2.540 10.620 17 HG12 VAL 3 2HG1 VAL 3 9.126 2.163 9.320 18 HG13 VAL 3 3HG1 VAL 3 9.694 0.895 10.404 19 HG21 VAL 3 3HG2 VAL 3 9.923 0.562 7.394 20 HG22 VAL 3 1HG2 VAL 3 11.606 0.045 7.361 21 HG23 VAL 3 2HG2 VAL 3 10.516 -0.549 8.619 22 H LYS 4 H LYS 4 12.353 3.083 5.694 23 HA LYS 4 HA LYS 4 9.656 3.160 4.523 24 HB2 LYS 4 1HB LYS 4 10.023 5.382 3.534 25 HB3 LYS 4 2HB LYS 4 9.921 5.399 5.276 26 HG2 LYS 4 1HG LYS 4 12.625 5.273 5.077 27 HG3 LYS 4 2HG LYS 4 12.288 5.951 3.501 28 HD2 LYS 4 1HD LYS 4 11.168 7.835 4.441 29 HD3 LYS 4 2HD LYS 4 11.139 7.106 6.071 30 HE2 LYS 4 1HE LYS 4 13.457 7.347 6.395 31 HE3 LYS 4 2HE LYS 4 13.760 7.570 4.663 32 HZ1 LYS 4 3HZ LYS 4 12.660 9.684 4.750 33 HZ2 LYS 4 1HZ LYS 4 13.935 9.645 5.775 34 HZ3 LYS 4 2HZ LYS 4 12.405 9.550 6.389 35 H GLU 5 H GLU 5 11.790 1.257 4.321 36 HA GLU 5 HA GLU 5 12.152 1.395 1.394 37 HB2 GLU 5 1HB GLU 5 14.383 0.423 1.561 38 HB3 GLU 5 2HB GLU 5 14.336 1.958 2.411 39 HG2 GLU 5 1HG GLU 5 14.211 0.835 4.581 40 HG3 GLU 5 2HG GLU 5 14.091 -0.741 3.802 41 H THR 6 H THR 6 10.212 0.356 3.170 42 HA THR 6 HA THR 6 10.414 -2.554 3.355 43 HB THR 6 HB THR 6 7.722 -1.586 3.732 44 HG1 THR 6 1HG THR 6 8.585 0.469 3.958 45 HG21 THR 6 3HG2 THR 6 8.506 -3.446 4.938 46 HG22 THR 6 1HG2 THR 6 8.252 -2.181 6.154 47 HG23 THR 6 2HG2 THR 6 9.903 -2.555 5.617 48 H THR 7 H THR 7 8.711 -3.904 2.404 49 HA THR 7 HA THR 7 8.178 -3.287 -0.382 50 HB THR 7 HB THR 7 8.577 -5.563 0.569 51 HG1 THR 7 1HG THR 7 7.870 -5.965 -1.254 52 HG21 THR 7 3HG2 THR 7 5.685 -5.491 1.444 53 HG22 THR 7 1HG2 THR 7 7.060 -5.355 2.568 54 HG23 THR 7 2HG2 THR 7 6.837 -6.835 1.611 55 H TYR 8 H TYR 8 5.854 -3.808 -0.916 56 HA TYR 8 HA TYR 8 4.513 -1.291 -0.490 57 HB2 TYR 8 1HB TYR 8 3.545 -3.855 -1.768 58 HB3 TYR 8 2HB TYR 8 2.688 -2.352 -1.909 59 HD1 TYR 8 2HD TYR 8 4.775 -0.368 -2.568 60 HD2 TYR 8 1HD TYR 8 4.382 -4.496 -3.765 61 HE1 TYR 8 2HE TYR 8 6.057 0.108 -4.641 62 HE2 TYR 8 1HE TYR 8 5.642 -4.023 -5.832 63 HH TYR 8 HH TYR 8 7.050 -2.495 -6.857 64 H TYR 9 H TYR 9 4.015 -4.401 1.058 65 HA TYR 9 HA TYR 9 1.499 -3.916 2.235 66 HB2 TYR 9 1HB TYR 9 3.896 -5.512 3.199 67 HB3 TYR 9 2HB TYR 9 2.339 -5.538 4.022 68 HD1 TYR 9 1HD TYR 9 0.394 -5.648 1.688 69 HD2 TYR 9 2HD TYR 9 4.157 -7.690 2.329 70 HE1 TYR 9 1HE TYR 9 -0.384 -7.523 0.324 71 HE2 TYR 9 2HE TYR 9 3.366 -9.576 0.986 72 HH TYR 9 HH TYR 9 1.335 -10.614 0.382 73 H ASP 10 H ASP 10 4.734 -3.172 3.746 74 HA ASP 10 HA ASP 10 3.372 -2.079 6.047 75 HB2 ASP 10 1HB ASP 10 6.057 -2.716 5.453 76 HB3 ASP 10 2HB ASP 10 6.062 -0.998 5.749 77 H VAL 11 H VAL 11 4.367 -0.767 2.946 78 HA VAL 11 HA VAL 11 4.173 1.981 3.583 79 HB VAL 11 HB VAL 11 3.532 0.450 1.019 80 HG11 VAL 11 1HG1 VAL 11 3.697 3.457 1.335 81 HG12 VAL 11 2HG1 VAL 11 3.661 2.576 -0.210 82 HG13 VAL 11 3HG1 VAL 11 2.267 2.498 0.861 83 HG21 VAL 11 3HG2 VAL 11 5.929 2.171 1.689 84 HG22 VAL 11 1HG2 VAL 11 5.915 0.400 1.700 85 HG23 VAL 11 2HG2 VAL 11 5.650 1.261 0.187 86 H LEU 12 H LEU 12 1.725 -0.422 2.643 87 HA LEU 12 HA LEU 12 -0.481 1.429 3.097 88 HB2 LEU 12 1HB LEU 12 -0.302 -1.569 2.532 89 HB3 LEU 12 2HB LEU 12 -1.831 -0.701 2.626 90 HG LEU 12 HG LEU 12 0.355 0.129 0.659 91 HD11 LEU 12 1HD1 LEU 12 -0.294 -2.264 0.288 92 HD12 LEU 12 2HD1 LEU 12 -0.745 -1.192 -1.035 93 HD13 LEU 12 3HD1 LEU 12 -1.992 -1.726 0.113 94 HD21 LEU 12 3HD2 LEU 12 -1.495 1.182 -0.518 95 HD22 LEU 12 1HD2 LEU 12 -1.459 1.761 1.153 96 HD23 LEU 12 2HD2 LEU 12 -2.668 0.552 0.663 97 H GLY 13 H GLY 13 1.529 0.346 5.311 98 HA2 GLY 13 1HA GLY 13 1.382 0.177 7.559 99 HA3 GLY 13 2HA GLY 13 -0.300 0.736 7.433 100 H VAL 14 H VAL 14 0.476 -2.229 5.668 101 HA VAL 14 HA VAL 14 -0.968 -3.746 7.787 102 HB VAL 14 HB VAL 14 -1.659 -5.308 6.159 103 HG11 VAL 14 1HG1 VAL 14 -3.060 -3.345 6.650 104 HG12 VAL 14 2HG1 VAL 14 -2.389 -2.545 5.215 105 HG13 VAL 14 3HG1 VAL 14 -3.343 -4.033 5.043 106 HG21 VAL 14 3HG2 VAL 14 -1.495 -4.981 3.706 107 HG22 VAL 14 1HG2 VAL 14 -0.477 -3.560 3.956 108 HG23 VAL 14 2HG2 VAL 14 0.108 -5.177 4.414 109 H LYS 15 H LYS 15 -0.075 -5.564 8.599 110 HA LYS 15 HA LYS 15 2.696 -6.039 8.379 111 HB2 LYS 15 1HB LYS 15 1.960 -8.462 9.156 112 HB3 LYS 15 2HB LYS 15 1.992 -7.081 10.231 113 HG2 LYS 15 1HG LYS 15 0.025 -8.424 10.586 114 HG3 LYS 15 2HG LYS 15 -0.388 -6.805 10.084 115 HD2 LYS 15 1HD LYS 15 -0.962 -7.612 7.846 116 HD3 LYS 15 2HD LYS 15 -0.389 -9.230 8.255 117 HE2 LYS 15 1HE LYS 15 -2.841 -9.149 8.370 118 HE3 LYS 15 2HE LYS 15 -2.119 -9.539 9.921 119 HZ1 LYS 15 3HZ LYS 15 -2.524 -7.226 10.617 120 HZ2 LYS 15 1HZ LYS 15 -3.898 -8.000 10.222 121 HZ3 LYS 15 2HZ LYS 15 -3.311 -6.920 9.180 122 HA PRO 16 HA PRO 16 3.081 -7.738 4.433 123 HB2 PRO 16 1HB PRO 16 5.237 -9.488 4.624 124 HB3 PRO 16 2HB PRO 16 5.359 -7.694 4.613 125 HG2 PRO 16 1HG PRO 16 5.234 -9.556 7.010 126 HG3 PRO 16 2HG PRO 16 6.406 -8.223 6.696 127 HD2 PRO 16 1HD PRO 16 4.270 -7.842 8.290 128 HD3 PRO 16 2HD PRO 16 4.726 -6.579 7.095 129 H ASN 17 H ASN 17 2.089 -9.814 6.920 130 HA ASN 17 HA ASN 17 1.512 -12.106 5.162 131 HB2 ASN 17 1HB ASN 17 1.110 -11.463 8.089 132 HB3 ASN 17 2HB ASN 17 0.134 -12.723 7.351 133 HD21 ASN 17 1HD2 ASN 17 1.423 -14.404 5.936 134 HD22 ASN 17 2HD2 ASN 17 2.846 -14.981 6.800 135 H ALA 18 H ALA 18 0.232 -9.068 5.159 136 HA ALA 18 HA ALA 18 -2.513 -9.361 5.606 137 HB1 ALA 18 1HB ALA 18 -2.730 -7.324 4.247 138 HB2 ALA 18 2HB ALA 18 -1.393 -7.247 5.402 139 HB3 ALA 18 3HB ALA 18 -1.046 -7.532 3.680 140 H THR 19 H THR 19 -4.260 -9.720 4.429 141 HA THR 19 HA THR 19 -4.054 -11.430 2.106 142 HB THR 19 HB THR 19 -6.619 -11.566 2.844 143 HG1 THR 19 1HG THR 19 -6.853 -10.981 5.051 144 HG21 THR 19 3HG2 THR 19 -4.374 -12.550 4.706 145 HG22 THR 19 1HG2 THR 19 -4.901 -13.383 3.240 146 HG23 THR 19 2HG2 THR 19 -6.013 -13.214 4.602 147 H GLN 20 H GLN 20 -5.472 -11.136 0.291 148 HA GLN 20 HA GLN 20 -5.383 -8.582 -0.899 149 HB2 GLN 20 1HB GLN 20 -7.180 -10.975 -1.467 150 HB3 GLN 20 2HB GLN 20 -6.932 -9.638 -2.582 151 HG2 GLN 20 1HG GLN 20 -4.568 -11.290 -1.582 152 HG3 GLN 20 2HG GLN 20 -5.575 -11.821 -2.914 153 HE21 GLN 20 1HE2 GLN 20 -3.088 -9.454 -1.898 154 HE22 GLN 20 2HE2 GLN 20 -3.072 -8.669 -3.493 155 H GLU 21 H GLU 21 -7.724 -9.846 1.326 156 HA GLU 21 HA GLU 21 -9.859 -7.943 0.693 157 HB2 GLU 21 1HB GLU 21 -9.377 -9.919 2.978 158 HB3 GLU 21 2HB GLU 21 -10.861 -8.968 2.746 159 HG2 GLU 21 1HG GLU 21 -11.098 -9.957 0.480 160 HG3 GLU 21 2HG GLU 21 -9.698 -10.986 0.782 161 H GLU 22 H GLU 22 -7.309 -8.386 3.093 162 HA GLU 22 HA GLU 22 -8.016 -6.130 4.762 163 HB2 GLU 22 1HB GLU 22 -5.540 -7.890 4.484 164 HB3 GLU 22 2HB GLU 22 -5.582 -6.498 5.583 165 HG2 GLU 22 1HG GLU 22 -7.557 -8.823 5.638 166 HG3 GLU 22 2HG GLU 22 -6.123 -8.689 6.655 167 H LEU 23 H LEU 23 -5.760 -6.641 2.030 168 HA LEU 23 HA LEU 23 -4.468 -4.185 1.956 169 HB2 LEU 23 1HB LEU 23 -5.354 -6.203 -0.097 170 HB3 LEU 23 2HB LEU 23 -4.919 -4.630 -0.708 171 HG LEU 23 HG LEU 23 -3.078 -6.212 -0.812 172 HD11 LEU 23 1HD1 LEU 23 -2.473 -3.926 1.095 173 HD12 LEU 23 2HD1 LEU 23 -2.644 -3.792 -0.674 174 HD13 LEU 23 3HD1 LEU 23 -1.337 -4.748 0.013 175 HD21 LEU 23 3HD2 LEU 23 -3.436 -6.387 2.174 176 HD22 LEU 23 1HD2 LEU 23 -1.840 -6.534 1.486 177 HD23 LEU 23 2HD2 LEU 23 -3.102 -7.648 0.956 178 H LYS 24 H LYS 24 -7.593 -4.950 0.446 179 HA LYS 24 HA LYS 24 -8.275 -2.356 -0.445 180 HB2 LYS 24 1HB LYS 24 -9.425 -4.239 -1.252 181 HB3 LYS 24 2HB LYS 24 -9.869 -4.808 0.354 182 HG2 LYS 24 1HG LYS 24 -11.565 -3.162 0.615 183 HG3 LYS 24 2HG LYS 24 -10.924 -2.182 -0.704 184 HD2 LYS 24 1HD LYS 24 -12.950 -3.333 -1.443 185 HD3 LYS 24 2HD LYS 24 -11.551 -3.892 -2.349 186 HE2 LYS 24 1HE LYS 24 -11.777 -5.628 -0.081 187 HE3 LYS 24 2HE LYS 24 -13.426 -5.370 -0.652 188 HZ1 LYS 24 3HZ LYS 24 -12.704 -6.061 -2.858 189 HZ2 LYS 24 1HZ LYS 24 -12.393 -7.240 -1.761 190 HZ3 LYS 24 2HZ LYS 24 -11.165 -6.326 -2.311 191 H LYS 25 H LYS 25 -9.268 -3.913 2.678 192 HA LYS 25 HA LYS 25 -10.667 -1.541 3.528 193 HB2 LYS 25 1HB LYS 25 -9.663 -3.909 5.173 194 HB3 LYS 25 2HB LYS 25 -10.741 -2.619 5.755 195 HG2 LYS 25 1HG LYS 25 -12.240 -3.146 3.736 196 HG3 LYS 25 2HG LYS 25 -11.294 -4.606 3.513 197 HD2 LYS 25 1HD LYS 25 -12.869 -3.921 6.027 198 HD3 LYS 25 2HD LYS 25 -13.507 -4.809 4.673 199 HE2 LYS 25 1HE LYS 25 -13.004 -6.508 6.108 200 HE3 LYS 25 2HE LYS 25 -11.616 -6.539 5.027 201 HZ1 LYS 25 3HZ LYS 25 -11.441 -6.553 7.642 202 HZ2 LYS 25 1HZ LYS 25 -11.431 -4.942 7.466 203 HZ3 LYS 25 2HZ LYS 25 -10.257 -5.908 6.747 204 H ALA 26 H ALA 26 -7.306 -2.600 4.032 205 HA ALA 26 HA ALA 26 -6.526 -0.597 5.877 206 HB1 ALA 26 1HB ALA 26 -4.949 -2.187 3.821 207 HB2 ALA 26 2HB ALA 26 -4.257 -1.194 5.117 208 HB3 ALA 26 3HB ALA 26 -5.253 -2.611 5.525 209 H TYR 27 H TYR 27 -6.176 -0.763 2.262 210 HA TYR 27 HA TYR 27 -4.901 1.653 1.858 211 HB2 TYR 27 1HB TYR 27 -5.238 0.072 0.056 212 HB3 TYR 27 2HB TYR 27 -6.985 0.229 0.160 213 HD1 TYR 27 2HD TYR 27 -3.962 2.395 -0.273 214 HD2 TYR 27 1HD TYR 27 -8.055 1.683 -1.371 215 HE1 TYR 27 2HE TYR 27 -3.870 4.355 -1.823 216 HE2 TYR 27 1HE TYR 27 -7.955 3.551 -2.994 217 HH TYR 27 HH TYR 27 -6.339 4.946 -4.221 218 H ARG 28 H ARG 28 -8.458 1.080 2.075 219 HA ARG 28 HA ARG 28 -9.288 3.734 1.701 220 HB2 ARG 28 1HB ARG 28 -10.422 1.505 3.439 221 HB3 ARG 28 2HB ARG 28 -11.263 3.003 3.128 222 HG2 ARG 28 1HG ARG 28 -11.230 2.429 0.647 223 HG3 ARG 28 2HG ARG 28 -10.622 0.824 1.125 224 HD2 ARG 28 1HD ARG 28 -12.575 0.851 2.860 225 HD3 ARG 28 2HD ARG 28 -13.206 2.205 1.906 226 HE ARG 28 HE ARG 28 -12.718 0.131 0.095 227 HH11 ARG 28 1HH1 ARG 28 -14.882 0.588 2.964 228 HH12 ARG 28 2HH1 ARG 28 -16.141 -0.326 2.234 229 HH21 ARG 28 1HH2 ARG 28 -14.299 -1.272 -0.630 230 HH22 ARG 28 2HH2 ARG 28 -15.734 -1.604 0.328 231 H LYS 29 H LYS 29 -7.509 2.568 4.485 232 HA LYS 29 HA LYS 29 -8.620 4.659 6.286 233 HB2 LYS 29 1HB LYS 29 -6.517 2.502 6.790 234 HB3 LYS 29 2HB LYS 29 -7.186 3.597 8.000 235 HG2 LYS 29 1HG LYS 29 -9.346 2.588 7.893 236 HG3 LYS 29 2HG LYS 29 -8.990 1.843 6.349 237 HD2 LYS 29 1HD LYS 29 -8.937 0.028 7.661 238 HD3 LYS 29 2HD LYS 29 -7.224 0.423 7.565 239 HE2 LYS 29 1HE LYS 29 -7.047 0.760 9.766 240 HE3 LYS 29 2HE LYS 29 -8.500 1.780 9.827 241 HZ1 LYS 29 3HZ LYS 29 -8.537 -1.160 9.697 242 HZ2 LYS 29 1HZ LYS 29 -9.838 -0.165 9.946 243 HZ3 LYS 29 2HZ LYS 29 -8.669 -0.310 11.100 244 H LEU 30 H LEU 30 -5.455 3.520 5.030 245 HA LEU 30 HA LEU 30 -4.114 5.924 5.849 246 HB2 LEU 30 1HB LEU 30 -3.259 3.871 3.837 247 HB3 LEU 30 2HB LEU 30 -2.295 5.255 4.276 248 HG LEU 30 HG LEU 30 -1.367 3.580 5.539 249 HD11 LEU 30 1HD1 LEU 30 -1.698 4.098 7.861 250 HD12 LEU 30 2HD1 LEU 30 -3.324 4.720 7.581 251 HD13 LEU 30 3HD1 LEU 30 -1.914 5.601 6.971 252 HD21 LEU 30 3HD2 LEU 30 -4.088 2.597 6.461 253 HD22 LEU 30 1HD2 LEU 30 -2.499 1.887 6.795 254 HD23 LEU 30 2HD2 LEU 30 -3.113 1.904 5.138 255 H ALA 31 H ALA 31 -5.731 5.099 2.764 256 HA ALA 31 HA ALA 31 -4.932 7.385 1.314 257 HB1 ALA 31 1HB ALA 31 -7.062 6.960 0.042 258 HB2 ALA 31 2HB ALA 31 -6.198 5.446 0.344 259 HB3 ALA 31 3HB ALA 31 -7.626 5.865 1.318 260 H LEU 32 H LEU 32 -7.203 7.165 4.065 261 HA LEU 32 HA LEU 32 -8.189 9.903 3.574 262 HB2 LEU 32 1HB LEU 32 -8.710 7.866 5.790 263 HB3 LEU 32 2HB LEU 32 -9.443 9.449 5.643 264 HG LEU 32 HG LEU 32 -9.792 7.185 3.681 265 HD11 LEU 32 1HD1 LEU 32 -12.118 7.114 4.529 266 HD12 LEU 32 2HD1 LEU 32 -11.756 8.438 5.643 267 HD13 LEU 32 3HD1 LEU 32 -10.961 6.865 5.854 268 HD21 LEU 32 3HD2 LEU 32 -11.620 8.670 2.743 269 HD22 LEU 32 1HD2 LEU 32 -9.949 9.143 2.368 270 HD23 LEU 32 2HD2 LEU 32 -10.847 9.994 3.635 271 H LYS 33 H LYS 33 -5.643 8.249 5.323 272 HA LYS 33 HA LYS 33 -5.335 10.282 7.380 273 HB2 LYS 33 1HB LYS 33 -4.649 7.928 7.755 274 HB3 LYS 33 2HB LYS 33 -3.531 8.015 6.391 275 HG2 LYS 33 1HG LYS 33 -2.407 8.156 8.571 276 HG3 LYS 33 2HG LYS 33 -2.085 9.535 7.506 277 HD2 LYS 33 1HD LYS 33 -3.552 10.974 8.768 278 HD3 LYS 33 2HD LYS 33 -4.206 9.600 9.701 279 HE2 LYS 33 1HE LYS 33 -2.031 9.244 10.722 280 HE3 LYS 33 2HE LYS 33 -1.298 10.508 9.732 281 HZ1 LYS 33 3HZ LYS 33 -2.476 12.165 10.885 282 HZ2 LYS 33 1HZ LYS 33 -1.944 11.174 12.027 283 HZ3 LYS 33 2HZ LYS 33 -3.516 11.114 11.621 284 H TYR 34 H TYR 34 -3.824 9.421 4.273 285 HA TYR 34 HA TYR 34 -2.038 11.751 4.419 286 HB2 TYR 34 1HB TYR 34 -2.102 9.309 2.609 287 HB3 TYR 34 2HB TYR 34 -0.922 10.546 2.521 288 HD1 TYR 34 1HD TYR 34 0.243 11.153 4.883 289 HD2 TYR 34 2HD TYR 34 -1.612 7.395 3.982 290 HE1 TYR 34 1HE TYR 34 1.731 10.045 6.495 291 HE2 TYR 34 2HE TYR 34 -0.130 6.265 5.593 292 HH TYR 34 HH TYR 34 2.036 8.108 7.731 293 H HIS 35 H HIS 35 -5.144 11.785 3.512 294 HA HIS 35 HA HIS 35 -4.952 12.265 0.691 295 HB2 HIS 35 1HB HIS 35 -7.023 11.768 2.266 296 HB3 HIS 35 2HB HIS 35 -7.078 13.501 2.457 297 HD1 HIS 35 1HD HIS 35 -8.154 14.847 0.325 298 HD2 HIS 35 2HD HIS 35 -7.354 10.727 -0.224 299 HE1 HIS 35 1HE HIS 35 -8.983 14.258 -1.964 300 HA PRO 36 HA PRO 36 -2.774 15.945 0.952 301 HB2 PRO 36 1HB PRO 36 -3.446 17.331 -1.400 302 HB3 PRO 36 2HB PRO 36 -2.317 15.950 -1.272 303 HG2 PRO 36 1HG PRO 36 -5.248 15.899 -2.033 304 HG3 PRO 36 2HG PRO 36 -3.876 15.027 -2.795 305 HD2 PRO 36 1HD PRO 36 -5.510 13.784 -1.083 306 HD3 PRO 36 2HD PRO 36 -3.743 13.496 -0.981 307 H ASP 37 H ASP 37 -6.110 16.670 0.035 308 HA ASP 37 HA ASP 37 -6.479 19.314 0.682 309 HB2 ASP 37 1HB ASP 37 -8.132 17.664 -0.251 310 HB3 ASP 37 2HB ASP 37 -8.308 16.945 1.336 311 H LYS 38 H LYS 38 -6.312 16.576 2.921 312 HA LYS 38 HA LYS 38 -6.469 18.379 5.298 313 HB2 LYS 38 1HB LYS 38 -7.508 15.574 4.765 314 HB3 LYS 38 2HB LYS 38 -7.342 16.179 6.403 315 HG2 LYS 38 1HG LYS 38 -8.963 17.633 4.296 316 HG3 LYS 38 2HG LYS 38 -9.625 16.393 5.344 317 HD2 LYS 38 1HD LYS 38 -9.176 17.629 7.331 318 HD3 LYS 38 2HD LYS 38 -8.247 18.841 6.432 319 HE2 LYS 38 1HE LYS 38 -10.247 19.491 5.166 320 HE3 LYS 38 2HE LYS 38 -11.209 18.279 6.018 321 HZ1 LYS 38 3HZ LYS 38 -10.877 19.501 8.063 322 HZ2 LYS 38 1HZ LYS 38 -11.455 20.486 6.927 323 HZ3 LYS 38 2HZ LYS 38 -9.855 20.562 7.326 324 H ASN 39 H ASN 39 -4.056 17.326 3.594 325 HA ASN 39 HA ASN 39 -2.329 16.956 5.859 326 HB2 ASN 39 1HB ASN 39 -3.292 14.638 5.557 327 HB3 ASN 39 2HB ASN 39 -2.480 14.562 3.982 328 HD21 ASN 39 1HD2 ASN 39 -2.068 12.875 6.391 329 HD22 ASN 39 2HD2 ASN 39 -0.355 13.117 6.769 330 HA PRO 40 HA PRO 40 -1.070 18.883 1.824 331 HB2 PRO 40 1HB PRO 40 0.033 21.206 2.784 332 HB3 PRO 40 2HB PRO 40 -1.731 20.986 2.550 333 HG2 PRO 40 1HG PRO 40 -0.090 20.685 5.085 334 HG3 PRO 40 2HG PRO 40 -1.636 21.579 4.868 335 HD2 PRO 40 1HD PRO 40 -1.573 19.052 5.881 336 HD3 PRO 40 2HD PRO 40 -2.885 19.560 4.760 337 H ASN 41 H ASN 41 0.820 17.995 4.606 338 HA ASN 41 HA ASN 41 3.354 18.284 3.293 339 HB2 ASN 41 1HB ASN 41 3.840 17.064 5.641 340 HB3 ASN 41 2HB ASN 41 4.107 18.752 5.235 341 HD21 ASN 41 1HD2 ASN 41 3.189 20.099 6.644 342 HD22 ASN 41 2HD2 ASN 41 1.587 19.924 7.323 343 H GLU 42 H GLU 42 0.918 15.903 3.299 344 HA GLU 42 HA GLU 42 2.969 13.862 2.591 345 HB2 GLU 42 1HB GLU 42 0.537 13.340 4.259 346 HB3 GLU 42 2HB GLU 42 1.736 12.189 3.714 347 HG2 GLU 42 1HG GLU 42 3.532 13.451 4.898 348 HG3 GLU 42 2HG GLU 42 2.345 14.578 5.522 349 H GLY 43 H GLY 43 0.893 15.750 1.109 350 HA2 GLY 43 1HA GLY 43 -0.769 14.131 -0.494 351 HA3 GLY 43 2HA GLY 43 -0.023 15.657 -1.003 352 H GLU 44 H GLU 44 2.729 14.859 -0.864 353 HA GLU 44 HA GLU 44 3.118 13.374 -3.331 354 HB2 GLU 44 1HB GLU 44 5.040 13.932 -1.037 355 HB3 GLU 44 2HB GLU 44 5.504 13.433 -2.664 356 HG2 GLU 44 1HG GLU 44 4.814 15.571 -3.590 357 HG3 GLU 44 2HG GLU 44 4.124 16.081 -2.035 358 H LYS 45 H LYS 45 3.024 12.419 0.124 359 HA LYS 45 HA LYS 45 4.260 9.835 -0.235 360 HB2 LYS 45 1HB LYS 45 2.836 11.191 1.963 361 HB3 LYS 45 2HB LYS 45 2.140 9.617 1.707 362 HG2 LYS 45 1HG LYS 45 4.451 8.620 1.702 363 HG3 LYS 45 2HG LYS 45 5.090 10.193 2.202 364 HD2 LYS 45 1HD LYS 45 2.821 8.774 3.681 365 HD3 LYS 45 2HD LYS 45 4.532 8.410 4.019 366 HE2 LYS 45 1HE LYS 45 3.073 11.045 4.390 367 HE3 LYS 45 2HE LYS 45 3.651 9.961 5.640 368 HZ1 LYS 45 3HZ LYS 45 5.888 10.445 4.985 369 HZ2 LYS 45 1HZ LYS 45 5.079 11.769 5.491 370 HZ3 LYS 45 2HZ LYS 45 5.356 11.609 3.890 371 H PHE 46 H PHE 46 1.011 11.070 -0.829 372 HA PHE 46 HA PHE 46 -0.414 8.750 -0.857 373 HB2 PHE 46 1HB PHE 46 -0.990 11.279 -1.499 374 HB3 PHE 46 2HB PHE 46 -0.881 10.681 -3.139 375 HD1 PHE 46 1HD PHE 46 -2.297 8.450 -3.676 376 HD2 PHE 46 2HD PHE 46 -2.979 11.081 -0.304 377 HE1 PHE 46 1HE PHE 46 -4.563 7.519 -3.396 378 HE2 PHE 46 2HE PHE 46 -5.224 10.109 -0.015 379 HZ PHE 46 HZ PHE 46 -6.037 8.332 -1.558 380 H LYS 47 H LYS 47 1.759 9.958 -3.315 381 HA LYS 47 HA LYS 47 1.128 8.270 -5.459 382 HB2 LYS 47 1HB LYS 47 2.919 9.237 -6.489 383 HB3 LYS 47 2HB LYS 47 2.783 10.348 -5.107 384 HG2 LYS 47 1HG LYS 47 4.604 9.178 -3.953 385 HG3 LYS 47 2HG LYS 47 4.777 8.051 -5.288 386 HD2 LYS 47 1HD LYS 47 4.982 11.040 -5.752 387 HD3 LYS 47 2HD LYS 47 6.366 10.113 -5.184 388 HE2 LYS 47 1HE LYS 47 4.788 9.272 -7.646 389 HE3 LYS 47 2HE LYS 47 6.117 10.437 -7.748 390 HZ1 LYS 47 3HZ LYS 47 7.656 8.845 -7.264 391 HZ2 LYS 47 1HZ LYS 47 6.544 7.890 -8.022 392 HZ3 LYS 47 2HZ LYS 47 6.654 7.906 -6.386 393 H GLN 48 H GLN 48 3.060 7.587 -2.686 394 HA GLN 48 HA GLN 48 3.998 4.955 -3.663 395 HB2 GLN 48 1HB GLN 48 4.205 6.506 -1.056 396 HB3 GLN 48 2HB GLN 48 4.228 4.762 -0.969 397 HG2 GLN 48 1HG GLN 48 6.045 5.233 -3.006 398 HG3 GLN 48 2HG GLN 48 6.307 6.607 -1.940 399 HE21 GLN 48 1HE2 GLN 48 6.517 3.065 -2.251 400 HE22 GLN 48 2HE2 GLN 48 7.470 2.815 -0.807 401 H ILE 49 H ILE 49 1.124 6.192 -2.027 402 HA ILE 49 HA ILE 49 0.462 3.609 -0.823 403 HB ILE 49 HB ILE 49 -1.414 5.983 -1.173 404 HG12 ILE 49 1HG1 ILE 49 0.617 5.583 1.067 405 HG13 ILE 49 2HG1 ILE 49 0.615 6.870 -0.129 406 HG21 ILE 49 1HG2 ILE 49 -1.290 4.022 1.141 407 HG22 ILE 49 2HG2 ILE 49 -2.649 5.047 0.616 408 HG23 ILE 49 3HG2 ILE 49 -2.179 3.645 -0.346 409 HD11 ILE 49 3HD1 ILE 49 -0.305 7.804 1.826 410 HD12 ILE 49 1HD1 ILE 49 -1.668 7.573 0.697 411 HD13 ILE 49 2HD1 ILE 49 -1.426 6.447 2.050 412 H SER 50 H SER 50 -0.726 5.666 -3.538 413 HA SER 50 HA SER 50 -2.694 3.946 -4.620 414 HB2 SER 50 1HB SER 50 -1.911 5.173 -6.778 415 HB3 SER 50 2HB SER 50 -2.615 6.149 -5.471 416 HG SER 50 HG SER 50 -0.398 6.680 -6.561 417 H GLN 51 H GLN 51 0.675 4.438 -5.670 418 HA GLN 51 HA GLN 51 0.857 2.315 -7.418 419 HB2 GLN 51 1HB GLN 51 2.450 4.169 -7.207 420 HB3 GLN 51 2HB GLN 51 3.076 3.499 -5.684 421 HG2 GLN 51 1HG GLN 51 4.382 1.985 -6.746 422 HG3 GLN 51 2HG GLN 51 3.126 1.550 -7.900 423 HE21 GLN 51 1HE2 GLN 51 3.047 2.558 -9.925 424 HE22 GLN 51 2HE2 GLN 51 4.327 3.667 -10.482 425 H ALA 52 H ALA 52 1.551 2.163 -3.868 426 HA ALA 52 HA ALA 52 2.433 -0.523 -3.924 427 HB1 ALA 52 1HB ALA 52 1.728 -0.457 -1.447 428 HB2 ALA 52 2HB ALA 52 2.813 0.860 -1.924 429 HB3 ALA 52 3HB ALA 52 1.076 1.150 -1.738 430 H TYR 53 H TYR 53 -0.861 0.769 -3.217 431 HA TYR 53 HA TYR 53 -2.004 -1.848 -3.008 432 HB2 TYR 53 1HB TYR 53 -2.985 0.152 -2.018 433 HB3 TYR 53 2HB TYR 53 -3.203 0.866 -3.609 434 HD1 TYR 53 2HD TYR 53 -4.129 -2.378 -1.829 435 HD2 TYR 53 1HD TYR 53 -5.346 0.869 -4.408 436 HE1 TYR 53 2HE TYR 53 -6.385 -3.362 -2.001 437 HE2 TYR 53 1HE TYR 53 -7.605 -0.050 -4.528 438 HH TYR 53 HH TYR 53 -8.749 -2.051 -4.293 439 H GLU 54 H GLU 54 -1.144 0.112 -5.780 440 HA GLU 54 HA GLU 54 -2.852 -1.126 -7.732 441 HB2 GLU 54 1HB GLU 54 -1.442 1.124 -7.728 442 HB3 GLU 54 2HB GLU 54 -0.154 0.097 -8.329 443 HG2 GLU 54 1HG GLU 54 -1.035 0.910 -10.233 444 HG3 GLU 54 2HG GLU 54 -1.885 -0.619 -10.152 445 H VAL 55 H VAL 55 0.012 -2.268 -6.116 446 HA VAL 55 HA VAL 55 0.519 -4.269 -8.239 447 HB VAL 55 HB VAL 55 1.937 -4.281 -5.579 448 HG11 VAL 55 1HG1 VAL 55 3.782 -5.102 -6.943 449 HG12 VAL 55 2HG1 VAL 55 2.341 -6.071 -7.242 450 HG13 VAL 55 3HG1 VAL 55 2.849 -4.858 -8.430 451 HG21 VAL 55 3HG2 VAL 55 2.404 -2.157 -5.786 452 HG22 VAL 55 1HG2 VAL 55 3.624 -2.701 -6.945 453 HG23 VAL 55 2HG2 VAL 55 2.085 -2.013 -7.529 454 H LEU 56 H LEU 56 -0.457 -4.172 -4.727 455 HA LEU 56 HA LEU 56 -0.962 -7.012 -4.864 456 HB2 LEU 56 1HB LEU 56 -1.785 -5.120 -2.650 457 HB3 LEU 56 2HB LEU 56 -1.582 -6.867 -2.580 458 HG LEU 56 HG LEU 56 0.289 -6.042 -1.531 459 HD11 LEU 56 1HD1 LEU 56 0.940 -7.791 -3.141 460 HD12 LEU 56 2HD1 LEU 56 2.249 -6.662 -2.779 461 HD13 LEU 56 3HD1 LEU 56 1.377 -6.521 -4.312 462 HD21 LEU 56 3HD2 LEU 56 -0.069 -3.678 -2.399 463 HD22 LEU 56 1HD2 LEU 56 1.334 -4.129 -3.431 464 HD23 LEU 56 2HD2 LEU 56 1.401 -4.276 -1.659 465 H SER 57 H SER 57 -2.985 -4.342 -5.812 466 HA SER 57 HA SER 57 -5.480 -5.526 -5.063 467 HB2 SER 57 1HB SER 57 -5.156 -3.130 -5.514 468 HB3 SER 57 2HB SER 57 -4.888 -3.482 -7.236 469 HG SER 57 HG SER 57 -7.025 -4.152 -7.368 470 H ASP 58 H ASP 58 -3.252 -6.728 -7.357 471 HA ASP 58 HA ASP 58 -5.413 -8.052 -8.942 472 HB2 ASP 58 1HB ASP 58 -4.126 -6.333 -10.284 473 HB3 ASP 58 2HB ASP 58 -2.679 -7.137 -9.841 474 H ALA 59 H ALA 59 -5.126 -10.228 -9.111 475 HA ALA 59 HA ALA 59 -3.161 -11.576 -7.479 476 HB1 ALA 59 1HB ALA 59 -5.463 -12.445 -7.907 477 HB2 ALA 59 2HB ALA 59 -4.992 -12.754 -9.597 478 HB3 ALA 59 3HB ALA 59 -4.178 -13.603 -8.263 479 H LYS 60 H LYS 60 -3.348 -10.635 -10.971 480 HA LYS 60 HA LYS 60 -1.050 -12.315 -11.617 481 HB2 LYS 60 1HB LYS 60 -2.842 -12.046 -13.213 482 HB3 LYS 60 2HB LYS 60 -2.599 -10.308 -13.291 483 HG2 LYS 60 1HG LYS 60 -0.517 -10.529 -14.368 484 HG3 LYS 60 2HG LYS 60 -0.346 -12.232 -13.879 485 HD2 LYS 60 1HD LYS 60 -2.312 -12.759 -15.369 486 HD3 LYS 60 2HD LYS 60 -2.184 -11.108 -16.035 487 HE2 LYS 60 1HE LYS 60 0.117 -11.525 -16.753 488 HE3 LYS 60 2HE LYS 60 0.171 -13.010 -15.800 489 HZ1 LYS 60 3HZ LYS 60 -1.591 -13.874 -17.311 490 HZ2 LYS 60 1HZ LYS 60 -0.110 -13.702 -17.984 491 HZ3 LYS 60 2HZ LYS 60 -1.291 -12.610 -18.319 492 H LYS 61 H LYS 61 -1.495 -8.841 -10.822 493 HA LYS 61 HA LYS 61 1.362 -8.340 -11.183 494 HB2 LYS 61 1HB LYS 61 -0.694 -6.963 -9.423 495 HB3 LYS 61 2HB LYS 61 0.979 -6.450 -9.537 496 HG2 LYS 61 1HG LYS 61 -0.186 -6.654 -12.221 497 HG3 LYS 61 2HG LYS 61 -1.232 -5.722 -11.149 498 HD2 LYS 61 1HD LYS 61 0.216 -4.172 -12.225 499 HD3 LYS 61 2HD LYS 61 0.598 -4.269 -10.511 500 HE2 LYS 61 1HE LYS 61 2.710 -4.214 -11.550 501 HE3 LYS 61 2HE LYS 61 2.470 -5.923 -11.158 502 HZ1 LYS 61 3HZ LYS 61 2.094 -4.629 -13.792 503 HZ2 LYS 61 1HZ LYS 61 1.705 -6.187 -13.502 504 HZ3 LYS 61 2HZ LYS 61 3.276 -5.685 -13.377 505 H ARG 62 H ARG 62 -0.679 -9.203 -8.292 506 HA ARG 62 HA ARG 62 1.453 -9.494 -6.531 507 HB2 ARG 62 1HB ARG 62 -0.743 -9.574 -5.675 508 HB3 ARG 62 2HB ARG 62 -1.099 -11.105 -6.495 509 HG2 ARG 62 1HG ARG 62 0.115 -12.370 -5.001 510 HG3 ARG 62 2HG ARG 62 1.305 -11.101 -4.699 511 HD2 ARG 62 1HD ARG 62 -0.232 -9.894 -3.272 512 HD3 ARG 62 2HD ARG 62 -1.474 -11.126 -3.501 513 HE ARG 62 HE ARG 62 1.065 -11.331 -1.980 514 HH11 ARG 62 1HH1 ARG 62 -1.741 -13.155 -3.195 515 HH12 ARG 62 2HH1 ARG 62 -1.506 -14.464 -2.088 516 HH21 ARG 62 1HH2 ARG 62 1.455 -13.111 -0.712 517 HH22 ARG 62 2HH2 ARG 62 0.259 -14.341 -0.460 518 H GLU 63 H GLU 63 0.405 -11.973 -8.900 519 HA GLU 63 HA GLU 63 2.056 -14.094 -8.280 520 HB2 GLU 63 1HB GLU 63 1.102 -12.819 -10.848 521 HB3 GLU 63 2HB GLU 63 2.270 -14.107 -10.981 522 HG2 GLU 63 1HG GLU 63 -0.197 -14.557 -9.281 523 HG3 GLU 63 2HG GLU 63 -0.291 -14.653 -11.047 524 H LEU 64 H LEU 64 3.034 -11.173 -10.111 525 HA LEU 64 HA LEU 64 5.714 -12.306 -10.501 526 HB2 LEU 64 1HB LEU 64 4.268 -9.845 -11.462 527 HB3 LEU 64 2HB LEU 64 6.023 -9.775 -11.396 528 HG LEU 64 HG LEU 64 5.122 -10.478 -13.607 529 HD11 LEU 64 1HD1 LEU 64 6.829 -12.677 -12.359 530 HD12 LEU 64 2HD1 LEU 64 7.446 -11.075 -12.815 531 HD13 LEU 64 3HD1 LEU 64 6.771 -12.148 -14.052 532 HD21 LEU 64 3HD2 LEU 64 3.240 -11.859 -12.644 533 HD22 LEU 64 1HD2 LEU 64 4.441 -13.108 -12.238 534 HD23 LEU 64 2HD2 LEU 64 4.171 -12.676 -13.927 535 H TYR 65 H TYR 65 4.187 -9.767 -8.618 536 HA TYR 65 HA TYR 65 6.228 -8.510 -7.205 537 HB2 TYR 65 1HB TYR 65 4.050 -7.797 -6.895 538 HB3 TYR 65 2HB TYR 65 3.465 -9.408 -6.572 539 HD1 TYR 65 2HD TYR 65 5.415 -6.638 -5.152 540 HD2 TYR 65 1HD TYR 65 3.447 -10.390 -4.375 541 HE1 TYR 65 2HE TYR 65 5.674 -6.296 -2.677 542 HE2 TYR 65 1HE TYR 65 3.800 -10.100 -1.943 543 HH TYR 65 HH TYR 65 6.064 -7.793 -0.732 544 H ASP 66 H ASP 66 4.619 -11.597 -6.377 545 HA ASP 66 HA ASP 66 5.875 -12.264 -4.042 546 HB2 ASP 66 1HB ASP 66 3.893 -13.228 -5.299 547 HB3 ASP 66 2HB ASP 66 5.019 -14.189 -6.253 548 H LYS 67 H LYS 67 7.028 -12.900 -7.358 549 HA LYS 67 HA LYS 67 9.627 -13.877 -6.317 550 HB2 LYS 67 1HB LYS 67 9.522 -15.794 -7.848 551 HB3 LYS 67 2HB LYS 67 8.370 -15.855 -6.522 552 HG2 LYS 67 1HG LYS 67 6.505 -15.576 -7.855 553 HG3 LYS 67 2HG LYS 67 7.377 -14.721 -9.129 554 HD2 LYS 67 1HD LYS 67 7.886 -17.672 -8.544 555 HD3 LYS 67 2HD LYS 67 6.600 -17.115 -9.628 556 HE2 LYS 67 1HE LYS 67 8.242 -15.836 -10.962 557 HE3 LYS 67 2HE LYS 67 9.563 -16.438 -9.948 558 HZ1 LYS 67 3HZ LYS 67 7.738 -18.256 -11.372 559 HZ2 LYS 67 1HZ LYS 67 9.217 -18.618 -10.801 560 HZ3 LYS 67 2HZ LYS 67 9.047 -17.618 -12.128 561 H GLY 68 H GLY 68 9.325 -11.360 -7.224 562 HA2 GLY 68 1HA GLY 68 11.464 -11.084 -8.903 563 HA3 GLY 68 2HA GLY 68 10.125 -11.240 -10.039 564 H GLY 69 H GLY 69 8.124 -9.747 -8.409 565 HA2 GLY 69 1HA GLY 69 8.916 -7.137 -9.264 566 HA3 GLY 69 2HA GLY 69 7.424 -7.523 -8.475 567 H GLU 70 H GLU 70 8.178 -8.317 -6.028 568 HA GLU 70 HA GLU 70 10.112 -6.509 -4.824 569 HB2 GLU 70 1HB GLU 70 7.640 -5.319 -5.259 570 HB3 GLU 70 2HB GLU 70 7.467 -5.932 -3.642 571 HG2 GLU 70 1HG GLU 70 8.233 -3.681 -3.466 572 HG3 GLU 70 2HG GLU 70 9.541 -4.728 -2.953 573 H GLN 71 H GLN 71 8.777 -9.270 -4.856 574 HA GLN 71 HA GLN 71 9.057 -11.172 -3.881 575 HB2 GLN 71 1HB GLN 71 11.280 -11.496 -2.895 576 HB3 GLN 71 2HB GLN 71 11.288 -10.556 -4.377 577 HG2 GLN 71 1HG GLN 71 11.581 -8.488 -3.067 578 HG3 GLN 71 2HG GLN 71 11.463 -9.438 -1.558 579 HE21 GLN 71 1HE2 GLN 71 13.436 -8.518 -4.325 580 HE22 GLN 71 2HE2 GLN 71 14.875 -9.424 -3.844
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