NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
526203 | 2l95 | 16719 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 7.578 4.567 13.311 2 H2 MET 1 HT2 MET 1 7.628 5.020 14.965 3 H3 MET 1 HT3 MET 1 7.121 6.151 13.777 4 HA MET 1 HA MET 1 5.742 3.757 14.757 5 HB2 MET 1 HB2 MET 1 5.349 6.720 14.782 6 HB3 MET 1 HB1 MET 1 3.931 5.682 14.795 7 HG2 MET 1 HG2 MET 1 6.047 5.023 16.739 8 HG3 MET 1 HG1 MET 1 5.175 6.531 17.008 9 HE1 MET 1 HE1 MET 1 2.526 6.601 17.792 10 HE2 MET 1 HE2 MET 1 1.477 5.302 17.226 11 HE3 MET 1 HE3 MET 1 2.447 6.218 16.073 12 H MET 2 H MET 2 3.396 3.847 13.773 13 HA MET 2 HA MET 2 3.730 3.883 10.850 14 HB2 MET 2 HB2 MET 2 1.639 2.343 10.996 15 HB3 MET 2 HB1 MET 2 3.225 1.686 11.375 16 HG2 MET 2 HG2 MET 2 1.557 2.799 13.575 17 HG3 MET 2 HG1 MET 2 1.164 1.214 12.911 18 HE1 MET 2 HE1 MET 2 2.390 2.875 15.527 19 HE2 MET 2 HE2 MET 2 3.788 2.054 16.223 20 HE3 MET 2 HE3 MET 2 2.213 1.261 16.218 21 H SER 3 H SER 3 2.293 5.597 13.326 22 HA SER 3 HA SER 3 -0.065 6.348 11.777 23 HB2 SER 3 HB2 SER 3 -0.853 7.442 13.763 24 HB3 SER 3 HB1 SER 3 -0.222 5.866 14.241 25 HG SER 3 HG SER 3 0.447 7.700 15.566 26 H LEU 4 H LEU 4 2.864 7.154 11.243 27 HA LEU 4 HA LEU 4 3.171 9.902 11.715 28 HB2 LEU 4 HB2 LEU 4 4.203 8.860 9.136 29 HB3 LEU 4 HB1 LEU 4 5.003 9.834 10.360 30 HG LEU 4 HG LEU 4 4.531 6.856 10.547 31 HD11 LEU 4 1HD1 LEU 4 7.078 8.400 10.100 32 HD12 LEU 4 2HD1 LEU 4 6.205 7.492 8.867 33 HD13 LEU 4 3HD1 LEU 4 6.921 6.649 10.241 34 HD21 LEU 4 3HD2 LEU 4 5.148 6.939 12.690 35 HD22 LEU 4 1HD2 LEU 4 4.850 8.673 12.607 36 HD23 LEU 4 2HD2 LEU 4 6.476 8.045 12.345 37 H VAL 5 H VAL 5 1.696 8.146 9.043 38 HA VAL 5 HA VAL 5 0.694 10.711 8.007 39 HB VAL 5 HB VAL 5 0.623 8.426 6.168 40 HG11 VAL 5 1HG1 VAL 5 2.033 10.875 5.482 41 HG12 VAL 5 2HG1 VAL 5 0.362 11.131 5.998 42 HG13 VAL 5 3HG1 VAL 5 0.727 10.058 4.643 43 HG21 VAL 5 3HG2 VAL 5 3.301 9.655 6.792 44 HG22 VAL 5 1HG2 VAL 5 2.945 8.333 5.682 45 HG23 VAL 5 2HG2 VAL 5 2.789 8.091 7.419 46 H SER 6 H SER 6 -1.321 10.987 8.572 47 HA SER 6 HA SER 6 -3.137 8.707 8.718 48 HB2 SER 6 HB2 SER 6 -3.132 11.473 9.819 49 HB3 SER 6 HB1 SER 6 -4.699 10.740 9.478 50 HG SER 6 HG SER 6 -2.700 9.416 10.978 51 H ASP 7 H ASP 7 -5.450 9.293 7.950 52 HA ASP 7 HA ASP 7 -5.559 9.387 5.206 53 HB2 ASP 7 HB2 ASP 7 -7.965 10.023 5.490 54 HB3 ASP 7 HB1 ASP 7 -7.463 8.656 6.482 55 H GLU 8 H GLU 8 -5.092 12.001 7.388 56 HA GLU 8 HA GLU 8 -6.109 14.212 6.128 57 HB2 GLU 8 HB2 GLU 8 -3.419 13.991 7.494 58 HB3 GLU 8 HB1 GLU 8 -4.345 15.475 7.256 59 HG2 GLU 8 HG2 GLU 8 -5.816 13.361 8.643 60 HG3 GLU 8 HG1 GLU 8 -4.386 13.936 9.501 61 H GLU 9 H GLU 9 -2.763 13.015 5.708 62 HA GLU 9 HA GLU 9 -2.191 14.814 3.610 63 HB2 GLU 9 HB2 GLU 9 -0.878 12.394 4.748 64 HB3 GLU 9 HB1 GLU 9 -0.353 12.947 3.164 65 HG2 GLU 9 HG2 GLU 9 -0.541 15.109 5.088 66 HG3 GLU 9 HG1 GLU 9 0.572 13.839 5.596 67 H TRP 10 H TRP 10 -3.697 11.675 3.686 68 HA TRP 10 HA TRP 10 -3.376 11.284 0.853 69 HB2 TRP 10 HB2 TRP 10 -3.415 9.384 2.516 70 HB3 TRP 10 HB1 TRP 10 -5.156 9.636 2.626 71 HD1 TRP 10 HD TRP 10 -6.636 8.770 0.650 72 HE1 TRP 10 HE1 TRP 10 -6.154 7.440 -1.491 73 HE3 TRP 10 HE3 TRP 10 -1.533 8.983 0.700 74 HZ2 TRP 10 HZ2 TRP 10 -3.900 6.564 -2.959 75 HZ3 TRP 10 HZ3 TRP 10 -0.286 7.871 -1.105 76 HH2 TRP 10 HH TRP 10 -1.447 6.687 -2.896 77 H VAL 11 H VAL 11 -5.844 12.745 2.836 78 HA VAL 11 HA VAL 11 -8.018 12.262 1.122 79 HB VAL 11 HB VAL 11 -8.757 13.066 3.176 80 HG11 VAL 11 1HG1 VAL 11 -6.603 15.150 2.973 81 HG12 VAL 11 2HG1 VAL 11 -6.776 13.867 4.171 82 HG13 VAL 11 3HG1 VAL 11 -7.897 15.225 4.166 83 HG21 VAL 11 3HG2 VAL 11 -9.537 15.493 2.719 84 HG22 VAL 11 1HG2 VAL 11 -10.111 14.193 1.671 85 HG23 VAL 11 2HG2 VAL 11 -8.798 15.247 1.132 86 H GLU 12 H GLU 12 -5.608 14.800 1.355 87 HA GLU 12 HA GLU 12 -6.664 16.339 -0.705 88 HB2 GLU 12 HB2 GLU 12 -4.661 16.740 1.044 89 HB3 GLU 12 HB1 GLU 12 -3.720 16.318 -0.381 90 HG2 GLU 12 HG2 GLU 12 -3.839 18.608 -0.531 91 HG3 GLU 12 HG1 GLU 12 -5.171 18.100 -1.567 92 H TYR 13 H TYR 13 -4.709 13.548 -0.559 93 HA TYR 13 HA TYR 13 -3.825 13.531 -3.285 94 HB2 TYR 13 HB2 TYR 13 -3.371 11.984 -0.888 95 HB3 TYR 13 HB1 TYR 13 -3.609 10.931 -2.277 96 HD1 TYR 13 HD2 TYR 13 -2.406 12.562 -4.436 97 HD2 TYR 13 HD1 TYR 13 -1.081 11.852 -0.456 98 HE1 TYR 13 HE2 TYR 13 -0.087 12.973 -5.142 99 HE2 TYR 13 HE1 TYR 13 1.242 12.263 -1.150 100 HH TYR 13 HH TYR 13 2.163 12.489 -4.448 101 H LYS 14 H LYS 14 -6.433 11.969 -1.488 102 HA LYS 14 HA LYS 14 -7.279 10.050 -3.245 103 HB2 LYS 14 HB2 LYS 14 -8.922 11.872 -1.489 104 HB3 LYS 14 HB1 LYS 14 -9.591 10.485 -2.329 105 HG2 LYS 14 HG2 LYS 14 -8.348 8.958 -1.014 106 HG3 LYS 14 HG1 LYS 14 -7.291 10.240 -0.420 107 HD2 LYS 14 HD2 LYS 14 -9.558 11.230 0.489 108 HD3 LYS 14 HD1 LYS 14 -10.071 9.545 0.383 109 HE2 LYS 14 HE2 LYS 14 -8.228 8.867 1.807 110 HE3 LYS 14 HE1 LYS 14 -7.626 10.522 1.858 111 HZ1 LYS 14 HZ1 LYS 14 -9.228 9.470 3.706 112 HZ2 LYS 14 HZ2 LYS 14 -10.382 10.169 2.686 113 HZ3 LYS 14 HZ3 LYS 14 -9.162 11.125 3.361 114 H SER 15 H SER 15 -7.847 13.520 -3.475 115 HA SER 15 HA SER 15 -9.746 13.350 -5.591 116 HB2 SER 15 HB2 SER 15 -8.010 15.718 -4.923 117 HB3 SER 15 HB1 SER 15 -9.614 15.725 -5.657 118 HG SER 15 HG SER 15 -8.888 15.234 -2.976 119 H LYS 16 H LYS 16 -6.320 13.904 -5.224 120 HA LYS 16 HA LYS 16 -5.921 14.274 -8.001 121 HB2 LYS 16 HB2 LYS 16 -4.527 15.460 -6.395 122 HB3 LYS 16 HB1 LYS 16 -3.915 13.929 -5.785 123 HG2 LYS 16 HG2 LYS 16 -2.605 13.557 -7.641 124 HG3 LYS 16 HG1 LYS 16 -3.583 14.605 -8.671 125 HD2 LYS 16 HD2 LYS 16 -2.564 16.519 -7.924 126 HD3 LYS 16 HD1 LYS 16 -2.157 15.819 -6.356 127 HE2 LYS 16 HE2 LYS 16 -0.556 14.306 -7.671 128 HE3 LYS 16 HE1 LYS 16 -0.781 15.445 -8.998 129 HZ1 LYS 16 HZ1 LYS 16 -0.132 16.619 -6.424 130 HZ2 LYS 16 HZ2 LYS 16 0.430 17.016 -7.969 131 HZ3 LYS 16 HZ3 LYS 16 1.100 15.705 -7.138 132 H PHE 17 H PHE 17 -6.363 11.560 -6.141 133 HA PHE 17 HA PHE 17 -4.713 9.907 -7.941 134 HB2 PHE 17 HB2 PHE 17 -5.385 9.711 -5.079 135 HB3 PHE 17 HB1 PHE 17 -5.423 8.189 -5.963 136 HD1 PHE 17 HD1 PHE 17 -3.320 7.932 -7.629 137 HD2 PHE 17 HD2 PHE 17 -3.409 10.245 -4.061 138 HE1 PHE 17 HE1 PHE 17 -0.869 7.776 -7.471 139 HE2 PHE 17 HE2 PHE 17 -0.959 10.095 -3.896 140 HZ PHE 17 HZ PHE 17 0.314 8.860 -5.602 141 H ASP 18 H ASP 18 -7.925 10.740 -7.259 142 HA ASP 18 HA ASP 18 -9.889 10.048 -8.186 143 HB2 ASP 18 HB2 ASP 18 -8.372 7.911 -9.681 144 HB3 ASP 18 HB1 ASP 18 -9.911 8.650 -10.110 145 H LYS 19 H LYS 19 -8.192 8.489 -5.990 146 HA LYS 19 HA LYS 19 -10.219 6.386 -5.633 147 HB2 LYS 19 HB2 LYS 19 -7.330 6.122 -4.787 148 HB3 LYS 19 HB1 LYS 19 -8.570 4.875 -4.763 149 HG2 LYS 19 HG2 LYS 19 -8.657 5.031 -7.257 150 HG3 LYS 19 HG1 LYS 19 -7.256 6.104 -7.174 151 HD2 LYS 19 HD2 LYS 19 -7.234 3.390 -5.889 152 HD3 LYS 19 HD1 LYS 19 -6.841 3.604 -7.597 153 HE2 LYS 19 HE2 LYS 19 -4.747 3.940 -6.883 154 HE3 LYS 19 HE1 LYS 19 -5.319 5.540 -6.409 155 HZ1 LYS 19 HZ1 LYS 19 -4.461 4.859 -4.443 156 HZ2 LYS 19 HZ2 LYS 19 -4.715 3.216 -4.750 157 HZ3 LYS 19 HZ3 LYS 19 -6.006 4.193 -4.260 158 H ASN 20 H ASN 20 -11.405 7.715 -4.255 159 HA ASN 20 HA ASN 20 -10.045 8.816 -1.934 160 HB2 ASN 20 HB2 ASN 20 -12.216 9.958 -1.506 161 HB3 ASN 20 HB1 ASN 20 -11.510 10.335 -3.074 162 HD21 ASN 20 1HD2 ASN 20 -12.529 9.687 -4.925 163 HD22 ASN 20 2HD2 ASN 20 -14.121 9.014 -4.942 164 H TYR 21 H TYR 21 -9.851 7.693 -0.177 165 HA TYR 21 HA TYR 21 -12.163 6.214 0.827 166 HB2 TYR 21 HB2 TYR 21 -10.332 4.545 1.743 167 HB3 TYR 21 HB1 TYR 21 -11.012 4.339 0.131 168 HD1 TYR 21 HD2 TYR 21 -8.140 5.483 2.048 169 HD2 TYR 21 HD1 TYR 21 -9.620 4.618 -1.828 170 HE1 TYR 21 HE2 TYR 21 -5.876 5.554 1.179 171 HE2 TYR 21 HE1 TYR 21 -7.324 4.715 -2.726 172 HH TYR 21 HH TYR 21 -4.732 4.366 -1.154 173 H GLU 22 H GLU 22 -12.700 7.156 2.562 174 HA GLU 22 HA GLU 22 -11.122 8.953 4.054 175 HB2 GLU 22 HB2 GLU 22 -13.099 9.246 5.421 176 HB3 GLU 22 HB1 GLU 22 -13.521 9.228 3.715 177 HG2 GLU 22 HG2 GLU 22 -13.655 6.636 5.108 178 HG3 GLU 22 HG1 GLU 22 -14.839 7.847 5.595 179 H ALA 23 H ALA 23 -11.483 8.922 6.517 180 HA ALA 23 HA ALA 23 -9.605 7.452 7.744 181 HB1 ALA 23 HB1 ALA 23 -12.057 8.791 8.716 182 HB2 ALA 23 HB2 ALA 23 -10.361 9.128 9.063 183 HB3 ALA 23 HB3 ALA 23 -11.168 7.768 9.844 184 H GLU 24 H GLU 24 -13.028 6.405 7.471 185 HA GLU 24 HA GLU 24 -12.917 4.217 9.156 186 HB2 GLU 24 HB2 GLU 24 -14.831 5.217 7.579 187 HB3 GLU 24 HB1 GLU 24 -14.358 3.849 6.580 188 HG2 GLU 24 HG2 GLU 24 -14.590 2.771 9.115 189 HG3 GLU 24 HG1 GLU 24 -15.924 3.920 9.012 190 H GLU 25 H GLU 25 -12.328 4.172 5.638 191 HA GLU 25 HA GLU 25 -11.215 1.520 5.713 192 HB2 GLU 25 HB2 GLU 25 -12.112 3.346 3.711 193 HB3 GLU 25 HB1 GLU 25 -10.451 2.907 3.336 194 HG2 GLU 25 HG2 GLU 25 -11.200 0.490 3.651 195 HG3 GLU 25 HG1 GLU 25 -12.845 1.122 3.585 196 H ASP 26 H ASP 26 -10.075 4.800 5.660 197 HA ASP 26 HA ASP 26 -7.393 4.497 5.088 198 HB2 ASP 26 HB2 ASP 26 -8.993 6.476 6.600 199 HB3 ASP 26 HB1 ASP 26 -7.243 6.589 6.683 200 H LEU 27 H LEU 27 -9.047 3.987 8.159 201 HA LEU 27 HA LEU 27 -7.021 4.210 9.964 202 HB2 LEU 27 HB2 LEU 27 -9.546 3.384 10.052 203 HB3 LEU 27 HB1 LEU 27 -8.758 1.819 10.202 204 HG LEU 27 HG LEU 27 -7.610 3.807 11.974 205 HD11 LEU 27 1HD1 LEU 27 -10.540 3.490 11.892 206 HD12 LEU 27 2HD1 LEU 27 -9.557 4.833 12.478 207 HD13 LEU 27 3HD1 LEU 27 -9.787 3.404 13.485 208 HD21 LEU 27 3HD2 LEU 27 -7.376 2.032 13.360 209 HD22 LEU 27 1HD2 LEU 27 -7.638 1.138 11.862 210 HD23 LEU 27 2HD2 LEU 27 -8.975 1.390 12.984 211 H MET 28 H MET 28 -7.813 1.208 8.204 212 HA MET 28 HA MET 28 -5.501 -0.179 9.116 213 HB2 MET 28 HB2 MET 28 -5.998 -1.744 7.217 214 HB3 MET 28 HB1 MET 28 -7.359 -1.476 8.297 215 HG2 MET 28 HG2 MET 28 -8.353 0.058 6.713 216 HG3 MET 28 HG1 MET 28 -6.958 -0.103 5.648 217 HE1 MET 28 HE1 MET 28 -10.114 -1.778 3.974 218 HE2 MET 28 HE2 MET 28 -9.612 -0.224 4.642 219 HE3 MET 28 HE3 MET 28 -10.629 -1.305 5.594 220 H ARG 29 H ARG 29 -6.236 2.042 6.594 221 HA ARG 29 HA ARG 29 -3.912 1.606 5.025 222 HB2 ARG 29 HB2 ARG 29 -6.016 3.654 5.139 223 HB3 ARG 29 HB1 ARG 29 -4.612 3.969 4.170 224 HG2 ARG 29 HG2 ARG 29 -5.187 2.436 2.585 225 HG3 ARG 29 HG1 ARG 29 -5.997 1.383 3.755 226 HD2 ARG 29 HD2 ARG 29 -7.959 2.668 3.714 227 HD3 ARG 29 HD1 ARG 29 -7.142 4.051 2.992 228 HE ARG 29 HE ARG 29 -7.165 2.951 0.907 229 HH11 ARG 29 1HH1 ARG 29 -8.913 1.197 3.372 230 HH12 ARG 29 2HH1 ARG 29 -9.629 0.093 2.250 231 HH21 ARG 29 1HH2 ARG 29 -8.068 1.456 -0.559 232 HH22 ARG 29 2HH2 ARG 29 -9.151 0.238 0.023 233 H ARG 30 H ARG 30 -4.688 3.495 7.836 234 HA ARG 30 HA ARG 30 -2.840 5.549 7.731 235 HB2 ARG 30 HB2 ARG 30 -3.603 3.893 10.155 236 HB3 ARG 30 HB1 ARG 30 -2.813 5.463 10.206 237 HG2 ARG 30 HG2 ARG 30 -5.415 5.216 8.788 238 HG3 ARG 30 HG1 ARG 30 -5.398 5.232 10.550 239 HD2 ARG 30 HD2 ARG 30 -3.916 7.326 10.288 240 HD3 ARG 30 HD1 ARG 30 -4.515 7.356 8.629 241 HE ARG 30 HE ARG 30 -6.456 8.222 9.432 242 HH11 ARG 30 1HH1 ARG 30 -4.910 6.466 12.023 243 HH12 ARG 30 2HH1 ARG 30 -6.113 6.889 13.195 244 HH21 ARG 30 1HH2 ARG 30 -8.037 8.781 10.972 245 HH22 ARG 30 2HH2 ARG 30 -7.889 8.204 12.598 246 H ARG 31 H ARG 31 -2.476 2.165 8.517 247 HA ARG 31 HA ARG 31 0.260 2.302 9.294 248 HB2 ARG 31 HB2 ARG 31 -1.203 -0.130 8.275 249 HB3 ARG 31 HB1 ARG 31 0.207 -0.087 9.323 250 HG2 ARG 31 HG2 ARG 31 -2.380 1.145 10.184 251 HG3 ARG 31 HG1 ARG 31 -2.091 -0.587 10.355 252 HD2 ARG 31 HD2 ARG 31 -0.370 -0.277 11.879 253 HD3 ARG 31 HD1 ARG 31 -0.086 1.386 11.369 254 HE ARG 31 HE ARG 31 -1.979 0.469 13.328 255 HH11 ARG 31 1HH1 ARG 31 -1.185 3.027 11.090 256 HH12 ARG 31 2HH1 ARG 31 -2.102 4.226 11.941 257 HH21 ARG 31 1HH2 ARG 31 -3.183 2.044 14.448 258 HH22 ARG 31 2HH2 ARG 31 -3.236 3.668 13.848 259 H ILE 32 H ILE 32 -1.422 1.825 6.191 260 HA ILE 32 HA ILE 32 1.064 1.073 4.880 261 HB ILE 32 HB ILE 32 -0.502 0.038 3.685 262 HG12 ILE 32 2HG1 ILE 32 -1.150 1.205 1.662 263 HG13 ILE 32 1HG1 ILE 32 -0.707 2.729 2.439 264 HG21 ILE 32 1HG2 ILE 32 -2.409 2.195 4.319 265 HG22 ILE 32 2HG2 ILE 32 -2.354 0.574 5.007 266 HG23 ILE 32 3HG2 ILE 32 -2.777 0.803 3.311 267 HD11 ILE 32 3HD1 ILE 32 1.379 2.445 1.805 268 HD12 ILE 32 1HD1 ILE 32 0.834 0.995 0.986 269 HD13 ILE 32 2HD1 ILE 32 1.442 0.891 2.627 270 H TYR 33 H TYR 33 -0.886 3.839 5.372 271 HA TYR 33 HA TYR 33 0.352 5.455 3.525 272 HB2 TYR 33 HB2 TYR 33 -1.742 5.970 4.970 273 HB3 TYR 33 HB1 TYR 33 -0.562 6.641 6.100 274 HD1 TYR 33 HD2 TYR 33 0.916 7.011 3.039 275 HD2 TYR 33 HD1 TYR 33 -2.296 8.629 5.312 276 HE1 TYR 33 HE2 TYR 33 0.979 9.032 1.665 277 HE2 TYR 33 HE1 TYR 33 -2.208 10.684 3.970 278 HH TYR 33 HH TYR 33 0.338 11.471 1.955 279 H ALA 34 H ALA 34 1.314 4.500 6.737 280 HA ALA 34 HA ALA 34 3.232 6.409 7.281 281 HB1 ALA 34 HB1 ALA 34 2.700 3.678 8.195 282 HB2 ALA 34 HB2 ALA 34 3.009 5.144 9.126 283 HB3 ALA 34 HB3 ALA 34 4.354 4.245 8.426 284 H GLU 35 H GLU 35 3.674 3.343 5.642 285 HA GLU 35 HA GLU 35 6.414 3.607 5.108 286 HB2 GLU 35 HB2 GLU 35 5.837 2.072 3.123 287 HB3 GLU 35 HB1 GLU 35 5.534 1.477 4.753 288 HG2 GLU 35 HG2 GLU 35 3.214 2.857 3.984 289 HG3 GLU 35 HG1 GLU 35 3.706 1.863 2.590 290 H SER 36 H SER 36 3.606 4.952 3.510 291 HA SER 36 HA SER 36 4.507 5.508 0.997 292 HB2 SER 36 HB2 SER 36 2.819 7.101 0.828 293 HB3 SER 36 HB1 SER 36 2.252 6.086 2.151 294 HG SER 36 HG SER 36 3.109 8.711 2.169 295 H LYS 37 H LYS 37 4.930 7.719 3.797 296 HA LYS 37 HA LYS 37 6.508 9.564 2.375 297 HB2 LYS 37 HB2 LYS 37 7.199 9.153 5.205 298 HB3 LYS 37 HB1 LYS 37 6.873 10.642 4.344 299 HG2 LYS 37 HG2 LYS 37 4.867 8.703 5.463 300 HG3 LYS 37 HG1 LYS 37 5.160 10.368 5.964 301 HD2 LYS 37 HD2 LYS 37 4.412 9.884 3.126 302 HD3 LYS 37 HD1 LYS 37 3.153 9.716 4.348 303 HE2 LYS 37 HE2 LYS 37 3.938 12.007 5.191 304 HE3 LYS 37 HE1 LYS 37 4.786 12.137 3.651 305 HZ1 LYS 37 HZ1 LYS 37 2.871 12.952 2.890 306 HZ2 LYS 37 HZ2 LYS 37 1.984 12.404 4.222 307 HZ3 LYS 37 HZ3 LYS 37 2.290 11.363 2.924 308 H ALA 38 H ALA 38 7.305 6.624 4.148 309 HA ALA 38 HA ALA 38 10.066 6.751 4.162 310 HB1 ALA 38 HB1 ALA 38 8.327 4.891 4.956 311 HB2 ALA 38 HB2 ALA 38 10.040 4.544 4.711 312 HB3 ALA 38 HB3 ALA 38 8.870 4.144 3.453 313 H ARG 39 H ARG 39 7.845 6.051 1.646 314 HA ARG 39 HA ARG 39 9.708 5.181 -0.310 315 HB2 ARG 39 HB2 ARG 39 7.033 6.405 -0.823 316 HB3 ARG 39 HB1 ARG 39 7.868 5.187 -1.785 317 HG2 ARG 39 HG2 ARG 39 7.384 4.362 0.974 318 HG3 ARG 39 HG1 ARG 39 5.902 4.686 0.058 319 HD2 ARG 39 HD2 ARG 39 6.813 3.206 -1.755 320 HD3 ARG 39 HD1 ARG 39 8.114 2.767 -0.650 321 HE ARG 39 HE ARG 39 6.648 1.435 0.505 322 HH11 ARG 39 1HH1 ARG 39 4.848 3.521 -1.637 323 HH12 ARG 39 2HH1 ARG 39 3.345 2.705 -1.369 324 HH21 ARG 39 1HH2 ARG 39 4.671 0.360 0.857 325 HH22 ARG 39 2HH2 ARG 39 3.244 0.911 0.046 326 H ILE 40 H ILE 40 8.374 8.278 0.678 327 HA ILE 40 HA ILE 40 9.161 9.712 -1.615 328 HB ILE 40 HB ILE 40 8.744 10.637 1.216 329 HG12 ILE 40 2HG1 ILE 40 6.598 10.263 0.683 330 HG13 ILE 40 1HG1 ILE 40 6.722 11.548 -0.504 331 HG21 ILE 40 1HG2 ILE 40 8.752 12.391 -1.229 332 HG22 ILE 40 2HG2 ILE 40 10.194 12.150 -0.241 333 HG23 ILE 40 3HG2 ILE 40 8.750 12.872 0.468 334 HD11 ILE 40 3HD1 ILE 40 5.811 9.226 -1.209 335 HD12 ILE 40 1HD1 ILE 40 7.513 8.730 -1.248 336 HD13 ILE 40 2HD1 ILE 40 6.940 10.064 -2.267 337 H GLU 41 H GLU 41 10.773 8.614 1.169 338 HA GLU 41 HA GLU 41 13.251 10.023 0.765 339 HB2 GLU 41 HB2 GLU 41 12.473 9.045 2.971 340 HB3 GLU 41 HB1 GLU 41 12.805 7.454 2.302 341 HG2 GLU 41 HG2 GLU 41 15.126 8.948 1.869 342 HG3 GLU 41 HG1 GLU 41 14.598 9.348 3.502 343 H GLU 42 H GLU 42 11.688 7.229 -0.397 344 HA GLU 42 HA GLU 42 13.549 5.407 -1.171 345 HB2 GLU 42 HB2 GLU 42 11.061 5.254 -1.365 346 HB3 GLU 42 HB1 GLU 42 11.133 6.397 -2.674 347 HG2 GLU 42 HG2 GLU 42 11.387 4.852 -4.154 348 HG3 GLU 42 HG1 GLU 42 12.850 4.256 -3.345 349 H HIS 43 H HIS 43 12.122 7.657 -3.532 350 HA HIS 43 HA HIS 43 14.248 7.144 -5.389 351 HB2 HIS 43 HB2 HIS 43 11.719 8.719 -5.435 352 HB3 HIS 43 HB1 HIS 43 12.886 8.876 -6.740 353 HD1 HIS 43 HD1 HIS 43 10.213 6.699 -5.458 354 HD2 HIS 43 HD2 HIS 43 13.298 6.441 -8.229 355 HE1 HIS 43 HE1 HIS 43 9.689 4.680 -6.861 356 HE2 HIS 43 HE2 HIS 43 11.613 4.496 -8.477 357 H ASN 44 H ASN 44 13.310 9.733 -3.275 358 HA ASN 44 HA ASN 44 14.834 11.752 -4.445 359 HB2 ASN 44 HB2 ASN 44 13.315 11.363 -2.023 360 HB3 ASN 44 HB1 ASN 44 14.740 12.372 -1.750 361 HD21 ASN 44 1HD2 ASN 44 14.870 14.352 -2.682 362 HD22 ASN 44 2HD2 ASN 44 13.550 15.109 -3.506 363 H ARG 45 H ARG 45 15.702 9.156 -2.334 364 HA ARG 45 HA ARG 45 18.331 10.262 -1.772 365 HB2 ARG 45 HB2 ARG 45 16.759 7.897 -0.878 366 HB3 ARG 45 HB1 ARG 45 18.512 7.815 -0.756 367 HG2 ARG 45 HG2 ARG 45 16.856 10.030 0.428 368 HG3 ARG 45 HG1 ARG 45 17.343 8.583 1.312 369 HD2 ARG 45 HD2 ARG 45 19.623 9.145 1.185 370 HD3 ARG 45 HD1 ARG 45 19.340 10.353 -0.068 371 HE ARG 45 HE ARG 45 19.226 10.762 2.732 372 HH11 ARG 45 1HH1 ARG 45 17.676 11.714 -0.246 373 HH12 ARG 45 2HH1 ARG 45 17.157 13.248 0.369 374 HH21 ARG 45 1HH2 ARG 45 18.545 12.779 3.541 375 HH22 ARG 45 2HH2 ARG 45 17.651 13.853 2.518 376 H LYS 46 H LYS 46 16.806 8.281 -4.064 377 HA LYS 46 HA LYS 46 18.874 6.524 -4.821 378 HB2 LYS 46 HB2 LYS 46 16.220 7.188 -5.472 379 HB3 LYS 46 HB1 LYS 46 17.117 7.101 -6.964 380 HG2 LYS 46 HG2 LYS 46 17.729 4.854 -6.614 381 HG3 LYS 46 HG1 LYS 46 17.241 4.916 -4.919 382 HD2 LYS 46 HD2 LYS 46 14.967 5.619 -6.417 383 HD3 LYS 46 HD1 LYS 46 15.688 4.235 -7.239 384 HE2 LYS 46 HE2 LYS 46 15.855 3.410 -4.679 385 HE3 LYS 46 HE1 LYS 46 14.412 4.419 -4.585 386 HZ1 LYS 46 HZ1 LYS 46 14.377 1.864 -5.314 387 HZ2 LYS 46 HZ2 LYS 46 14.529 2.588 -6.835 388 HZ3 LYS 46 HZ3 LYS 46 13.228 2.991 -5.833 389 H PHE 47 H PHE 47 17.717 9.425 -6.621 390 HA PHE 47 HA PHE 47 19.927 9.403 -8.423 391 HB2 PHE 47 HB2 PHE 47 19.252 11.675 -9.037 392 HB3 PHE 47 HB1 PHE 47 17.866 10.592 -9.069 393 HD1 PHE 47 HD1 PHE 47 19.441 13.417 -7.346 394 HD2 PHE 47 HD2 PHE 47 16.099 10.815 -7.541 395 HE1 PHE 47 HE1 PHE 47 18.172 14.961 -5.908 396 HE2 PHE 47 HE2 PHE 47 14.805 12.352 -6.113 397 HZ PHE 47 HZ PHE 47 15.846 14.428 -5.288 398 H GLU 48 H GLU 48 18.979 10.654 -5.457 399 HA GLU 48 HA GLU 48 20.898 12.476 -4.789 400 HB2 GLU 48 HB2 GLU 48 18.847 10.893 -3.615 401 HB3 GLU 48 HB1 GLU 48 20.295 10.732 -2.595 402 HG2 GLU 48 HG2 GLU 48 19.199 13.400 -3.449 403 HG3 GLU 48 HG1 GLU 48 18.706 12.585 -1.966 404 H LYS 49 H LYS 49 21.127 9.199 -5.584 405 HA LYS 49 HA LYS 49 23.684 8.765 -4.265 406 HB2 LYS 49 HB2 LYS 49 21.556 7.125 -4.428 407 HB3 LYS 49 HB1 LYS 49 22.460 6.612 -5.846 408 HG2 LYS 49 HG2 LYS 49 23.994 6.881 -3.340 409 HG3 LYS 49 HG1 LYS 49 22.818 5.567 -3.415 410 HD2 LYS 49 HD2 LYS 49 23.959 5.198 -5.786 411 HD3 LYS 49 HD1 LYS 49 25.313 5.983 -4.971 412 HE2 LYS 49 HE2 LYS 49 25.603 4.260 -3.495 413 HE3 LYS 49 HE1 LYS 49 23.905 3.786 -3.549 414 HZ1 LYS 49 HZ1 LYS 49 25.843 2.426 -4.749 415 HZ2 LYS 49 HZ2 LYS 49 25.398 3.452 -6.018 416 HZ3 LYS 49 HZ3 LYS 49 24.244 2.442 -5.305 417 H GLY 50 H GLY 50 23.037 10.411 -6.814 418 HA2 GLY 50 HA2 GLY 50 23.967 10.706 -8.920 419 HA3 GLY 50 HA1 GLY 50 25.407 9.960 -8.220 420 H GLU 51 H GLU 51 22.330 8.477 -8.324 421 HA GLU 51 HA GLU 51 23.346 6.195 -9.763 422 HB2 GLU 51 HB2 GLU 51 21.557 6.747 -7.625 423 HB3 GLU 51 HB1 GLU 51 20.596 6.018 -8.931 424 HG2 GLU 51 HG2 GLU 51 23.163 4.779 -7.995 425 HG3 GLU 51 HG1 GLU 51 21.624 4.456 -7.198 426 H VAL 52 H VAL 52 20.356 8.112 -9.903 427 HA VAL 52 HA VAL 52 20.339 8.271 -12.777 428 HB VAL 52 HB VAL 52 18.809 6.668 -13.203 429 HG11 VAL 52 1HG1 VAL 52 18.863 6.046 -10.280 430 HG12 VAL 52 2HG1 VAL 52 19.976 5.384 -11.482 431 HG13 VAL 52 3HG1 VAL 52 18.260 4.969 -11.541 432 HG21 VAL 52 3HG2 VAL 52 16.633 6.565 -11.827 433 HG22 VAL 52 1HG2 VAL 52 16.936 7.958 -12.857 434 HG23 VAL 52 2HG2 VAL 52 17.207 8.078 -11.113 435 H THR 53 H THR 53 18.080 9.436 -13.256 436 HA THR 53 HA THR 53 17.671 11.128 -10.895 437 HB THR 53 HB THR 53 18.632 12.213 -12.871 438 HG1 THR 53 HG1 THR 53 17.224 13.300 -11.312 439 HG21 THR 53 3HG2 THR 53 16.087 12.430 -14.291 440 HG22 THR 53 1HG2 THR 53 16.828 10.832 -14.372 441 HG23 THR 53 2HG2 THR 53 17.728 12.250 -14.912 442 H TRP 54 H TRP 54 16.244 9.924 -9.946 443 HA TRP 54 HA TRP 54 13.549 9.829 -11.082 444 HB2 TRP 54 HB2 TRP 54 13.275 7.560 -9.868 445 HB3 TRP 54 HB1 TRP 54 14.072 7.587 -11.433 446 HD1 TRP 54 HD TRP 54 16.485 8.766 -8.887 447 HE1 TRP 54 HE1 TRP 54 18.125 6.885 -8.269 448 HE3 TRP 54 HE3 TRP 54 13.963 4.815 -10.924 449 HZ2 TRP 54 HZ2 TRP 54 18.294 4.081 -8.567 450 HZ3 TRP 54 HZ3 TRP 54 14.927 2.562 -10.701 451 HH2 TRP 54 HH TRP 54 17.048 2.205 -9.547 452 H LYS 55 H LYS 55 12.066 10.620 -9.738 453 HA LYS 55 HA LYS 55 12.783 10.884 -6.901 454 HB2 LYS 55 HB2 LYS 55 10.615 12.560 -7.245 455 HB3 LYS 55 HB1 LYS 55 12.311 13.033 -7.068 456 HG2 LYS 55 HG2 LYS 55 12.503 12.709 -9.568 457 HG3 LYS 55 HG1 LYS 55 10.738 12.741 -9.595 458 HD2 LYS 55 HD2 LYS 55 10.655 14.963 -9.202 459 HD3 LYS 55 HD1 LYS 55 11.994 14.907 -8.054 460 HE2 LYS 55 HE2 LYS 55 12.631 14.458 -10.915 461 HE3 LYS 55 HE1 LYS 55 12.181 16.094 -10.436 462 HZ1 LYS 55 HZ1 LYS 55 14.378 14.469 -9.271 463 HZ2 LYS 55 HZ2 LYS 55 13.926 16.009 -8.740 464 HZ3 LYS 55 HZ3 LYS 55 14.556 15.805 -10.296 465 H MET 56 H MET 56 11.173 10.856 -5.399 466 HA MET 56 HA MET 56 9.553 8.547 -5.472 467 HB2 MET 56 HB2 MET 56 8.419 10.040 -3.529 468 HB3 MET 56 HB1 MET 56 9.881 9.099 -3.285 469 HG2 MET 56 HG2 MET 56 10.010 11.368 -2.368 470 HG3 MET 56 HG1 MET 56 11.211 11.094 -3.625 471 HE1 MET 56 HE1 MET 56 7.709 11.996 -2.939 472 HE2 MET 56 HE2 MET 56 7.178 12.960 -4.316 473 HE3 MET 56 HE3 MET 56 7.943 13.745 -2.935 474 H GLY 57 H GLY 57 7.037 8.843 -4.851 475 HA2 GLY 57 HA2 GLY 57 5.758 11.117 -6.035 476 HA3 GLY 57 HA1 GLY 57 5.618 9.665 -7.015 477 H ILE 58 H ILE 58 5.783 8.786 -3.768 478 HA ILE 58 HA ILE 58 4.233 8.014 -2.273 479 HB ILE 58 HB ILE 58 2.527 10.041 -3.656 480 HG12 ILE 58 2HG1 ILE 58 4.700 10.744 -2.389 481 HG13 ILE 58 1HG1 ILE 58 3.220 11.660 -2.132 482 HG21 ILE 58 1HG2 ILE 58 1.464 9.875 -1.169 483 HG22 ILE 58 2HG2 ILE 58 1.981 8.209 -1.424 484 HG23 ILE 58 3HG2 ILE 58 0.871 8.970 -2.563 485 HD11 ILE 58 3HD1 ILE 58 4.583 11.095 -0.084 486 HD12 ILE 58 1HD1 ILE 58 4.062 9.425 -0.312 487 HD13 ILE 58 2HD1 ILE 58 2.868 10.689 -0.020 488 H ASN 59 H ASN 59 4.024 5.953 -3.186 489 HA ASN 59 HA ASN 59 2.612 5.595 -5.538 490 HB2 ASN 59 HB2 ASN 59 3.411 3.640 -3.385 491 HB3 ASN 59 HB1 ASN 59 2.550 3.125 -4.833 492 HD21 ASN 59 1HD2 ASN 59 5.479 4.662 -3.658 493 HD22 ASN 59 2HD2 ASN 59 6.459 4.260 -5.022 494 H HIS 60 H HIS 60 0.565 4.593 -5.932 495 HA HIS 60 HA HIS 60 -1.580 5.703 -4.596 496 HB2 HIS 60 HB2 HIS 60 -1.597 3.106 -6.147 497 HB3 HIS 60 HB1 HIS 60 -2.992 4.126 -5.811 498 HD1 HIS 60 HD1 HIS 60 -3.516 5.882 -7.499 499 HD2 HIS 60 HD2 HIS 60 0.341 4.397 -7.924 500 HE1 HIS 60 HE1 HIS 60 -2.630 6.906 -9.619 501 HE2 HIS 60 HE2 HIS 60 -0.318 5.944 -9.888 502 H LEU 61 H LEU 61 -0.451 2.309 -4.321 503 HA LEU 61 HA LEU 61 -2.281 1.785 -2.233 504 HB2 LEU 61 HB2 LEU 61 -1.248 -0.284 -1.875 505 HB3 LEU 61 HB1 LEU 61 -1.293 -0.022 -3.607 506 HG LEU 61 HG LEU 61 0.773 -1.076 -2.434 507 HD11 LEU 61 1HD1 LEU 61 1.868 -0.763 -4.373 508 HD12 LEU 61 2HD1 LEU 61 1.688 0.990 -4.316 509 HD13 LEU 61 3HD1 LEU 61 0.349 -0.017 -4.867 510 HD21 LEU 61 3HD2 LEU 61 2.514 0.356 -1.750 511 HD22 LEU 61 1HD2 LEU 61 1.081 0.811 -0.831 512 HD23 LEU 61 2HD2 LEU 61 1.608 1.794 -2.205 513 H ALA 62 H ALA 62 0.454 3.728 -2.170 514 HA ALA 62 HA ALA 62 1.596 2.894 0.225 515 HB1 ALA 62 HB1 ALA 62 2.623 4.942 0.502 516 HB2 ALA 62 HB2 ALA 62 1.484 5.769 -0.582 517 HB3 ALA 62 HB3 ALA 62 2.637 4.596 -1.236 518 H ASP 63 H ASP 63 -1.496 3.675 -0.201 519 HA ASP 63 HA ASP 63 -1.740 4.586 2.553 520 HB2 ASP 63 HB2 ASP 63 -2.483 6.106 0.564 521 HB3 ASP 63 HB1 ASP 63 -3.858 5.027 0.463 522 H LEU 64 H LEU 64 -2.567 2.476 -0.033 523 HA LEU 64 HA LEU 64 -3.828 0.754 1.956 524 HB2 LEU 64 HB2 LEU 64 -5.402 0.021 0.280 525 HB3 LEU 64 HB1 LEU 64 -5.645 1.699 0.723 526 HG LEU 64 HG LEU 64 -3.967 1.996 -1.358 527 HD11 LEU 64 1HD1 LEU 64 -3.692 0.057 -2.318 528 HD12 LEU 64 2HD1 LEU 64 -5.236 0.429 -3.097 529 HD13 LEU 64 3HD1 LEU 64 -5.190 -0.633 -1.684 530 HD21 LEU 64 3HD2 LEU 64 -5.685 3.114 -2.286 531 HD22 LEU 64 1HD2 LEU 64 -6.531 2.701 -0.796 532 HD23 LEU 64 2HD2 LEU 64 -6.752 1.712 -2.236 533 H THR 65 H THR 65 -2.091 -0.446 2.069 534 HA THR 65 HA THR 65 -1.187 -1.873 -0.331 535 HB THR 65 HB THR 65 0.506 -2.688 1.723 536 HG1 THR 65 HG1 THR 65 1.001 -1.023 2.937 537 HG21 THR 65 3HG2 THR 65 1.930 -2.170 0.134 538 HG22 THR 65 1HG2 THR 65 1.784 -0.480 0.611 539 HG23 THR 65 2HG2 THR 65 0.742 -1.134 -0.648 540 HA PRO 66 HA PRO 66 -2.364 -6.095 0.965 541 HB2 PRO 66 HB2 PRO 66 -0.273 -6.794 2.750 542 HB3 PRO 66 HB1 PRO 66 -0.362 -7.204 1.030 543 HG2 PRO 66 HG2 PRO 66 0.872 -4.790 2.338 544 HG3 PRO 66 HG1 PRO 66 1.593 -5.862 1.093 545 HD2 PRO 66 HD2 PRO 66 0.628 -3.636 0.240 546 HD3 PRO 66 HD1 PRO 66 -0.063 -5.089 -0.522 547 H GLU 67 H GLU 67 -1.088 -3.827 3.335 548 HA GLU 67 HA GLU 67 -2.180 -4.812 5.726 549 HB2 GLU 67 HB2 GLU 67 -2.470 -1.883 5.213 550 HB3 GLU 67 HB1 GLU 67 -1.682 -2.702 6.580 551 HG2 GLU 67 HG2 GLU 67 -0.597 -1.980 3.888 552 HG3 GLU 67 HG1 GLU 67 -0.018 -1.483 5.479 553 H GLU 68 H GLU 68 -3.267 -2.447 3.469 554 HA GLU 68 HA GLU 68 -6.000 -2.366 4.372 555 HB2 GLU 68 HB2 GLU 68 -4.916 -0.369 3.533 556 HB3 GLU 68 HB1 GLU 68 -4.593 -1.158 1.997 557 HG2 GLU 68 HG2 GLU 68 -7.395 -0.882 2.985 558 HG3 GLU 68 HG1 GLU 68 -6.575 0.450 2.168 559 H PHE 69 H PHE 69 -4.277 -3.368 1.508 560 HA PHE 69 HA PHE 69 -6.279 -4.265 -0.117 561 HB2 PHE 69 HB2 PHE 69 -3.389 -4.734 0.198 562 HB3 PHE 69 HB1 PHE 69 -4.238 -5.984 -0.698 563 HD1 PHE 69 HD1 PHE 69 -5.683 -5.231 -2.653 564 HD2 PHE 69 HD2 PHE 69 -2.681 -2.732 -0.882 565 HE1 PHE 69 HE1 PHE 69 -5.588 -3.883 -4.705 566 HE2 PHE 69 HE2 PHE 69 -2.601 -1.407 -2.945 567 HZ PHE 69 HZ PHE 69 -4.048 -1.971 -4.851 568 H ALA 70 H ALA 70 -4.569 -6.101 2.397 569 HA ALA 70 HA ALA 70 -6.077 -8.497 1.859 570 HB1 ALA 70 HB1 ALA 70 -4.773 -9.522 3.566 571 HB2 ALA 70 HB2 ALA 70 -4.267 -7.956 4.201 572 HB3 ALA 70 HB3 ALA 70 -3.699 -8.492 2.620 573 H GLN 71 H GLN 71 -6.208 -5.865 4.186 574 HA GLN 71 HA GLN 71 -8.242 -7.248 5.747 575 HB2 GLN 71 HB2 GLN 71 -6.245 -5.584 6.500 576 HB3 GLN 71 HB1 GLN 71 -7.582 -4.446 6.400 577 HG2 GLN 71 HG2 GLN 71 -8.884 -6.024 7.867 578 HG3 GLN 71 HG1 GLN 71 -7.375 -6.903 8.113 579 HE21 GLN 71 1HE2 GLN 71 -5.759 -5.997 9.350 580 HE22 GLN 71 2HE2 GLN 71 -6.012 -4.608 10.347 581 H ARG 72 H ARG 72 -8.246 -5.318 3.022 582 HA ARG 72 HA ARG 72 -10.700 -3.911 3.676 583 HB2 ARG 72 HB2 ARG 72 -10.490 -2.803 1.570 584 HB3 ARG 72 HB1 ARG 72 -8.902 -2.818 2.314 585 HG2 ARG 72 HG2 ARG 72 -8.085 -3.684 0.450 586 HG3 ARG 72 HG1 ARG 72 -9.033 -5.139 0.744 587 HD2 ARG 72 HD2 ARG 72 -10.901 -3.428 -0.293 588 HD3 ARG 72 HD1 ARG 72 -9.448 -2.979 -1.185 589 HE ARG 72 HE ARG 72 -10.899 -5.481 -1.345 590 HH11 ARG 72 1HH1 ARG 72 -7.938 -3.777 -2.076 591 HH12 ARG 72 2HH1 ARG 72 -7.486 -4.862 -3.347 592 HH21 ARG 72 1HH2 ARG 72 -10.297 -6.906 -3.011 593 HH22 ARG 72 2HH2 ARG 72 -8.821 -6.639 -3.876 594 H SER 73 H SER 73 -9.548 -6.641 1.847 595 HA SER 73 HA SER 73 -11.888 -8.055 1.924 596 HB2 SER 73 HB2 SER 73 -12.201 -5.968 0.110 597 HB3 SER 73 HB1 SER 73 -11.860 -7.369 -0.905 598 HG SER 73 HG SER 73 -13.629 -8.386 -0.110 599 H GLY 74 H GLY 74 -9.240 -8.652 2.215 600 HA2 GLY 74 HA2 GLY 74 -8.520 -10.178 -0.198 601 HA3 GLY 74 HA1 GLY 74 -7.416 -9.747 1.099 602 H LYS 75 H LYS 75 -8.627 -10.587 3.340 603 HA LYS 75 HA LYS 75 -8.753 -13.491 2.933 604 HB2 LYS 75 HB2 LYS 75 -7.224 -12.009 4.665 605 HB3 LYS 75 HB1 LYS 75 -8.563 -12.503 5.692 606 HG2 LYS 75 HG2 LYS 75 -7.541 -14.695 4.087 607 HG3 LYS 75 HG1 LYS 75 -6.302 -13.975 5.118 608 HD2 LYS 75 HD2 LYS 75 -9.008 -14.690 6.201 609 HD3 LYS 75 HD1 LYS 75 -7.723 -15.894 6.076 610 HE2 LYS 75 HE2 LYS 75 -6.313 -14.665 7.540 611 HE3 LYS 75 HE1 LYS 75 -7.369 -13.254 7.477 612 HZ1 LYS 75 HZ1 LYS 75 -9.051 -15.104 8.394 613 HZ2 LYS 75 HZ2 LYS 75 -8.129 -14.102 9.397 614 HZ3 LYS 75 HZ3 LYS 75 -7.603 -15.673 9.058 615 H LYS 76 H LYS 76 -10.445 -14.713 3.662 616 HA LYS 76 HA LYS 76 -12.970 -13.462 3.905 617 HB2 LYS 76 HB2 LYS 76 -12.023 -16.289 4.317 618 HB3 LYS 76 HB1 LYS 76 -13.697 -15.829 4.591 619 HG2 LYS 76 HG2 LYS 76 -14.049 -16.240 2.442 620 HG3 LYS 76 HG1 LYS 76 -13.114 -14.785 2.093 621 HD2 LYS 76 HD2 LYS 76 -11.086 -16.465 2.380 622 HD3 LYS 76 HD1 LYS 76 -12.319 -17.645 1.931 623 HE2 LYS 76 HE2 LYS 76 -11.128 -16.867 -0.039 624 HE3 LYS 76 HE1 LYS 76 -12.813 -16.353 -0.090 625 HZ1 LYS 76 HZ1 LYS 76 -12.257 -14.177 0.228 626 HZ2 LYS 76 HZ2 LYS 76 -10.891 -14.692 -0.626 627 HZ3 LYS 76 HZ3 LYS 76 -10.823 -14.528 1.055 628 H VAL 77 H VAL 77 -13.471 -12.250 5.616 629 HA VAL 77 HA VAL 77 -12.730 -13.210 8.295 630 HB VAL 77 HB VAL 77 -13.655 -10.437 7.547 631 HG11 VAL 77 1HG1 VAL 77 -12.657 -9.837 9.726 632 HG12 VAL 77 2HG1 VAL 77 -12.345 -11.547 10.026 633 HG13 VAL 77 3HG1 VAL 77 -14.003 -10.966 9.877 634 HG21 VAL 77 3HG2 VAL 77 -11.620 -10.711 6.388 635 HG22 VAL 77 1HG2 VAL 77 -10.887 -11.596 7.726 636 HG23 VAL 77 2HG2 VAL 77 -11.202 -9.868 7.880 637 HA PRO 78 HA PRO 78 -17.138 -14.195 8.537 638 HB2 PRO 78 HB2 PRO 78 -17.011 -15.376 10.986 639 HB3 PRO 78 HB1 PRO 78 -16.564 -16.203 9.490 640 HG2 PRO 78 HG2 PRO 78 -14.807 -14.886 11.526 641 HG3 PRO 78 HG1 PRO 78 -14.585 -16.434 10.689 642 HD2 PRO 78 HD2 PRO 78 -13.287 -14.190 9.935 643 HD3 PRO 78 HD1 PRO 78 -13.796 -15.426 8.767 644 HA PRO 79 HA PRO 79 -18.808 -11.011 11.091 645 HB2 PRO 79 HB2 PRO 79 -20.986 -12.169 12.231 646 HB3 PRO 79 HB1 PRO 79 -20.918 -11.723 10.522 647 HG2 PRO 79 HG2 PRO 79 -20.500 -14.398 11.799 648 HG3 PRO 79 HG1 PRO 79 -21.409 -13.988 10.332 649 HD2 PRO 79 HD2 PRO 79 -18.910 -15.021 10.251 650 HD3 PRO 79 HD1 PRO 79 -19.506 -13.875 9.034 651 H ASN 80 H ASN 80 -18.210 -14.096 12.654 652 HA ASN 80 HA ASN 80 -18.532 -13.262 15.326 653 HB2 ASN 80 HB2 ASN 80 -16.700 -15.432 14.286 654 HB3 ASN 80 HB1 ASN 80 -17.322 -15.280 15.927 655 HD21 ASN 80 1HD2 ASN 80 -18.075 -16.100 12.636 656 HD22 ASN 80 2HD2 ASN 80 -19.583 -16.876 12.963 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 2.785 9.872 16.125 2 H2 MET 1 HT2 MET 1 2.346 8.234 16.391 3 H3 MET 1 HT3 MET 1 2.653 8.795 14.798 4 HA MET 1 HA MET 1 4.935 9.356 15.603 5 HB2 MET 1 HB2 MET 1 3.982 8.932 18.024 6 HB3 MET 1 HB1 MET 1 4.402 7.260 17.672 7 HG2 MET 1 HG2 MET 1 6.529 9.153 17.046 8 HG3 MET 1 HG1 MET 1 6.071 9.138 18.747 9 HE1 MET 1 HE1 MET 1 8.342 6.455 16.184 10 HE2 MET 1 HE2 MET 1 9.282 7.364 17.369 11 HE3 MET 1 HE3 MET 1 8.149 8.203 16.309 12 H MET 2 H MET 2 2.893 6.483 15.558 13 HA MET 2 HA MET 2 5.007 4.984 14.188 14 HB2 MET 2 HB2 MET 2 2.467 4.164 15.574 15 HB3 MET 2 HB1 MET 2 3.314 3.065 14.494 16 HG2 MET 2 HG2 MET 2 5.224 3.021 15.877 17 HG3 MET 2 HG1 MET 2 4.653 4.388 16.831 18 HE1 MET 2 HE1 MET 2 2.887 3.300 19.532 19 HE2 MET 2 HE2 MET 2 4.204 4.217 18.802 20 HE3 MET 2 HE3 MET 2 4.536 2.680 19.600 21 H SER 3 H SER 3 1.868 6.410 13.711 22 HA SER 3 HA SER 3 1.438 5.100 11.167 23 HB2 SER 3 HB2 SER 3 -0.219 6.339 13.044 24 HB3 SER 3 HB1 SER 3 -0.253 7.413 11.647 25 HG SER 3 HG SER 3 -1.746 5.437 11.833 26 H LEU 4 H LEU 4 2.381 8.287 12.345 27 HA LEU 4 HA LEU 4 3.438 10.037 11.355 28 HB2 LEU 4 HB2 LEU 4 3.945 8.728 8.764 29 HB3 LEU 4 HB1 LEU 4 5.033 9.614 9.817 30 HG LEU 4 HG LEU 4 4.253 6.710 10.058 31 HD11 LEU 4 1HD1 LEU 4 5.952 7.278 8.367 32 HD12 LEU 4 2HD1 LEU 4 6.598 6.297 9.683 33 HD13 LEU 4 3HD1 LEU 4 6.925 8.029 9.631 34 HD21 LEU 4 3HD2 LEU 4 4.634 8.285 12.214 35 HD22 LEU 4 1HD2 LEU 4 6.300 7.838 11.853 36 HD23 LEU 4 2HD2 LEU 4 5.095 6.585 12.149 37 H VAL 5 H VAL 5 1.914 8.326 8.639 38 HA VAL 5 HA VAL 5 0.707 10.866 7.825 39 HB VAL 5 HB VAL 5 0.404 8.656 5.949 40 HG11 VAL 5 1HG1 VAL 5 1.962 10.949 5.151 41 HG12 VAL 5 2HG1 VAL 5 0.439 11.415 5.918 42 HG13 VAL 5 3HG1 VAL 5 0.441 10.351 4.510 43 HG21 VAL 5 3HG2 VAL 5 3.202 9.611 6.545 44 HG22 VAL 5 1HG2 VAL 5 2.715 8.496 5.270 45 HG23 VAL 5 2HG2 VAL 5 2.570 8.021 6.957 46 H SER 6 H SER 6 -1.287 11.193 8.358 47 HA SER 6 HA SER 6 -3.088 8.936 8.783 48 HB2 SER 6 HB2 SER 6 -2.767 11.426 10.063 49 HB3 SER 6 HB1 SER 6 -4.317 11.510 9.227 50 HG SER 6 HG SER 6 -5.104 10.003 10.501 51 H ASP 7 H ASP 7 -5.409 9.363 8.034 52 HA ASP 7 HA ASP 7 -5.610 9.305 5.295 53 HB2 ASP 7 HB2 ASP 7 -8.036 9.986 5.670 54 HB3 ASP 7 HB1 ASP 7 -7.478 8.580 6.572 55 H GLU 8 H GLU 8 -5.183 12.038 7.337 56 HA GLU 8 HA GLU 8 -6.273 14.161 5.987 57 HB2 GLU 8 HB2 GLU 8 -3.547 14.117 7.295 58 HB3 GLU 8 HB1 GLU 8 -4.589 15.525 7.070 59 HG2 GLU 8 HG2 GLU 8 -6.092 13.592 8.478 60 HG3 GLU 8 HG1 GLU 8 -4.505 13.681 9.239 61 H GLU 9 H GLU 9 -2.915 13.014 5.604 62 HA GLU 9 HA GLU 9 -2.276 14.732 3.500 63 HB2 GLU 9 HB2 GLU 9 -1.142 12.040 4.259 64 HB3 GLU 9 HB1 GLU 9 -0.442 13.071 3.018 65 HG2 GLU 9 HG2 GLU 9 -0.648 14.791 5.122 66 HG3 GLU 9 HG1 GLU 9 -0.295 13.263 5.928 67 H TRP 10 H TRP 10 -3.930 11.643 3.509 68 HA TRP 10 HA TRP 10 -3.692 11.378 0.654 69 HB2 TRP 10 HB2 TRP 10 -3.770 9.420 2.284 70 HB3 TRP 10 HB1 TRP 10 -5.515 9.679 2.307 71 HD1 TRP 10 HD TRP 10 -6.865 9.188 0.052 72 HE1 TRP 10 HE1 TRP 10 -6.279 7.821 -2.048 73 HE3 TRP 10 HE3 TRP 10 -1.824 8.733 0.752 74 HZ2 TRP 10 HZ2 TRP 10 -3.982 6.707 -3.253 75 HZ3 TRP 10 HZ3 TRP 10 -0.503 7.510 -0.920 76 HH2 TRP 10 HH TRP 10 -1.561 6.517 -2.882 77 H VAL 11 H VAL 11 -6.053 12.832 2.727 78 HA VAL 11 HA VAL 11 -8.347 12.508 1.159 79 HB VAL 11 HB VAL 11 -8.073 15.169 2.398 80 HG11 VAL 11 1HG1 VAL 11 -10.182 14.374 1.587 81 HG12 VAL 11 2HG1 VAL 11 -10.262 14.555 3.341 82 HG13 VAL 11 3HG1 VAL 11 -10.093 12.951 2.624 83 HG21 VAL 11 3HG2 VAL 11 -8.157 12.783 4.222 84 HG22 VAL 11 1HG2 VAL 11 -8.058 14.491 4.661 85 HG23 VAL 11 2HG2 VAL 11 -6.694 13.702 3.867 86 H GLU 12 H GLU 12 -5.840 14.945 1.265 87 HA GLU 12 HA GLU 12 -6.903 16.379 -0.886 88 HB2 GLU 12 HB2 GLU 12 -4.142 16.406 0.322 89 HB3 GLU 12 HB1 GLU 12 -4.671 17.530 -0.920 90 HG2 GLU 12 HG2 GLU 12 -6.552 18.144 0.700 91 HG3 GLU 12 HG1 GLU 12 -5.595 17.305 1.919 92 H TYR 13 H TYR 13 -4.756 13.709 -0.517 93 HA TYR 13 HA TYR 13 -3.673 13.787 -3.177 94 HB2 TYR 13 HB2 TYR 13 -3.314 12.203 -0.791 95 HB3 TYR 13 HB1 TYR 13 -3.349 11.184 -2.225 96 HD1 TYR 13 HD2 TYR 13 -2.048 12.786 -4.251 97 HD2 TYR 13 HD1 TYR 13 -1.114 12.415 -0.117 98 HE1 TYR 13 HE2 TYR 13 0.287 13.392 -4.730 99 HE2 TYR 13 HE1 TYR 13 1.223 13.020 -0.584 100 HH TYR 13 HH TYR 13 2.537 13.036 -3.666 101 H LYS 14 H LYS 14 -6.073 11.638 -1.631 102 HA LYS 14 HA LYS 14 -6.602 9.971 -3.743 103 HB2 LYS 14 HB2 LYS 14 -9.001 9.894 -2.767 104 HB3 LYS 14 HB1 LYS 14 -7.654 9.312 -1.806 105 HG2 LYS 14 HG2 LYS 14 -8.113 10.746 -0.190 106 HG3 LYS 14 HG1 LYS 14 -8.064 12.104 -1.317 107 HD2 LYS 14 HD2 LYS 14 -10.461 10.909 -1.921 108 HD3 LYS 14 HD1 LYS 14 -10.353 10.688 -0.174 109 HE2 LYS 14 HE2 LYS 14 -9.993 13.078 0.118 110 HE3 LYS 14 HE1 LYS 14 -10.042 13.312 -1.628 111 HZ1 LYS 14 HZ1 LYS 14 -12.152 13.774 -0.290 112 HZ2 LYS 14 HZ2 LYS 14 -12.316 12.094 -0.193 113 HZ3 LYS 14 HZ3 LYS 14 -12.304 12.856 -1.703 114 H SER 15 H SER 15 -7.575 13.294 -3.440 115 HA SER 15 HA SER 15 -9.645 13.189 -5.392 116 HB2 SER 15 HB2 SER 15 -7.981 15.576 -4.554 117 HB3 SER 15 HB1 SER 15 -9.572 15.610 -5.314 118 HG SER 15 HG SER 15 -10.473 14.829 -3.448 119 H LYS 16 H LYS 16 -6.229 13.883 -5.242 120 HA LYS 16 HA LYS 16 -6.080 14.368 -8.049 121 HB2 LYS 16 HB2 LYS 16 -4.665 15.630 -6.457 122 HB3 LYS 16 HB1 LYS 16 -3.842 14.131 -6.047 123 HG2 LYS 16 HG2 LYS 16 -2.936 13.944 -8.250 124 HG3 LYS 16 HG1 LYS 16 -3.906 15.306 -8.815 125 HD2 LYS 16 HD2 LYS 16 -2.702 16.726 -7.122 126 HD3 LYS 16 HD1 LYS 16 -1.621 15.358 -6.850 127 HE2 LYS 16 HE2 LYS 16 -0.390 16.305 -8.474 128 HE3 LYS 16 HE1 LYS 16 -1.555 15.540 -9.554 129 HZ1 LYS 16 HZ1 LYS 16 -0.996 18.130 -9.616 130 HZ2 LYS 16 HZ2 LYS 16 -2.287 18.159 -8.524 131 HZ3 LYS 16 HZ3 LYS 16 -2.502 17.504 -10.069 132 H PHE 17 H PHE 17 -6.193 11.671 -6.129 133 HA PHE 17 HA PHE 17 -4.568 10.061 -7.976 134 HB2 PHE 17 HB2 PHE 17 -5.132 9.910 -5.095 135 HB3 PHE 17 HB1 PHE 17 -5.216 8.362 -5.932 136 HD1 PHE 17 HD1 PHE 17 -3.216 7.691 -7.367 137 HD2 PHE 17 HD2 PHE 17 -3.082 10.810 -4.476 138 HE1 PHE 17 HE1 PHE 17 -0.762 7.517 -7.300 139 HE2 PHE 17 HE2 PHE 17 -0.627 10.642 -4.404 140 HZ PHE 17 HZ PHE 17 0.535 8.995 -5.818 141 H ASP 18 H ASP 18 -7.792 10.748 -7.071 142 HA ASP 18 HA ASP 18 -9.768 10.030 -7.964 143 HB2 ASP 18 HB2 ASP 18 -7.986 9.295 -9.914 144 HB3 ASP 18 HB1 ASP 18 -8.729 7.753 -9.502 145 H LYS 19 H LYS 19 -7.955 8.509 -5.822 146 HA LYS 19 HA LYS 19 -9.852 6.276 -5.488 147 HB2 LYS 19 HB2 LYS 19 -6.896 6.430 -4.975 148 HB3 LYS 19 HB1 LYS 19 -7.895 5.295 -4.077 149 HG2 LYS 19 HG2 LYS 19 -8.014 3.887 -5.793 150 HG3 LYS 19 HG1 LYS 19 -8.393 5.179 -6.933 151 HD2 LYS 19 HD2 LYS 19 -6.365 4.590 -7.771 152 HD3 LYS 19 HD1 LYS 19 -5.809 5.721 -6.535 153 HE2 LYS 19 HE2 LYS 19 -6.135 2.784 -5.989 154 HE3 LYS 19 HE1 LYS 19 -4.646 3.454 -6.658 155 HZ1 LYS 19 HZ1 LYS 19 -4.332 3.379 -4.352 156 HZ2 LYS 19 HZ2 LYS 19 -5.869 4.002 -4.019 157 HZ3 LYS 19 HZ3 LYS 19 -4.677 5.003 -4.680 158 H ASN 20 H ASN 20 -11.264 7.532 -4.252 159 HA ASN 20 HA ASN 20 -10.258 8.842 -1.868 160 HB2 ASN 20 HB2 ASN 20 -13.129 8.641 -2.759 161 HB3 ASN 20 HB1 ASN 20 -12.420 9.819 -1.660 162 HD21 ASN 20 1HD2 ASN 20 -13.779 10.978 -3.484 163 HD22 ASN 20 2HD2 ASN 20 -12.817 11.614 -4.770 164 H TYR 21 H TYR 21 -10.254 8.060 0.078 165 HA TYR 21 HA TYR 21 -12.277 6.269 1.047 166 HB2 TYR 21 HB2 TYR 21 -10.250 4.768 1.949 167 HB3 TYR 21 HB1 TYR 21 -11.093 4.404 0.444 168 HD1 TYR 21 HD2 TYR 21 -8.338 6.582 1.620 169 HD2 TYR 21 HD1 TYR 21 -9.697 3.848 -1.324 170 HE1 TYR 21 HE2 TYR 21 -6.191 6.711 0.524 171 HE2 TYR 21 HE1 TYR 21 -7.508 3.977 -2.449 172 HH TYR 21 HH TYR 21 -5.576 5.403 -2.571 173 H GLU 22 H GLU 22 -12.806 7.198 2.820 174 HA GLU 22 HA GLU 22 -11.179 9.028 4.246 175 HB2 GLU 22 HB2 GLU 22 -13.938 8.331 4.103 176 HB3 GLU 22 HB1 GLU 22 -13.452 8.354 5.793 177 HG2 GLU 22 HG2 GLU 22 -12.295 10.633 4.815 178 HG3 GLU 22 HG1 GLU 22 -13.805 10.549 3.909 179 H ALA 23 H ALA 23 -11.434 8.964 6.732 180 HA ALA 23 HA ALA 23 -9.519 7.444 7.845 181 HB1 ALA 23 HB1 ALA 23 -11.879 8.843 8.929 182 HB2 ALA 23 HB2 ALA 23 -10.162 9.077 9.257 183 HB3 ALA 23 HB3 ALA 23 -11.030 7.739 10.012 184 H GLU 24 H GLU 24 -12.970 6.463 7.721 185 HA GLU 24 HA GLU 24 -12.814 4.235 9.351 186 HB2 GLU 24 HB2 GLU 24 -14.522 5.010 7.049 187 HB3 GLU 24 HB1 GLU 24 -14.554 3.317 7.522 188 HG2 GLU 24 HG2 GLU 24 -15.191 3.945 9.783 189 HG3 GLU 24 HG1 GLU 24 -15.123 5.649 9.337 190 H GLU 25 H GLU 25 -12.413 4.255 5.807 191 HA GLU 25 HA GLU 25 -11.369 1.576 5.760 192 HB2 GLU 25 HB2 GLU 25 -12.465 3.300 3.879 193 HB3 GLU 25 HB1 GLU 25 -10.770 3.216 3.420 194 HG2 GLU 25 HG2 GLU 25 -11.055 0.674 3.591 195 HG3 GLU 25 HG1 GLU 25 -12.785 1.009 3.571 196 H ASP 26 H ASP 26 -10.136 4.817 5.821 197 HA ASP 26 HA ASP 26 -7.476 4.373 5.092 198 HB2 ASP 26 HB2 ASP 26 -8.924 6.482 6.597 199 HB3 ASP 26 HB1 ASP 26 -7.167 6.523 6.547 200 H LEU 27 H LEU 27 -9.085 3.946 8.172 201 HA LEU 27 HA LEU 27 -7.060 4.220 9.968 202 HB2 LEU 27 HB2 LEU 27 -9.579 3.363 10.052 203 HB3 LEU 27 HB1 LEU 27 -8.765 1.816 10.256 204 HG LEU 27 HG LEU 27 -7.626 3.829 11.981 205 HD11 LEU 27 1HD1 LEU 27 -10.593 3.431 12.052 206 HD12 LEU 27 2HD1 LEU 27 -9.669 4.931 12.154 207 HD13 LEU 27 3HD1 LEU 27 -9.686 3.810 13.517 208 HD21 LEU 27 3HD2 LEU 27 -8.582 1.985 13.645 209 HD22 LEU 27 1HD2 LEU 27 -7.127 1.727 12.682 210 HD23 LEU 27 2HD2 LEU 27 -8.670 1.064 12.144 211 H MET 28 H MET 28 -7.825 1.196 8.238 212 HA MET 28 HA MET 28 -5.496 -0.163 9.154 213 HB2 MET 28 HB2 MET 28 -5.993 -1.728 7.234 214 HB3 MET 28 HB1 MET 28 -7.314 -1.509 8.373 215 HG2 MET 28 HG2 MET 28 -7.413 0.388 6.180 216 HG3 MET 28 HG1 MET 28 -7.457 -1.285 5.633 217 HE1 MET 28 HE1 MET 28 -10.266 -2.599 8.083 218 HE2 MET 28 HE2 MET 28 -8.582 -2.849 7.621 219 HE3 MET 28 HE3 MET 28 -9.859 -3.003 6.415 220 H ARG 29 H ARG 29 -6.262 2.024 6.601 221 HA ARG 29 HA ARG 29 -3.948 1.574 5.021 222 HB2 ARG 29 HB2 ARG 29 -6.035 3.643 5.130 223 HB3 ARG 29 HB1 ARG 29 -4.641 3.918 4.134 224 HG2 ARG 29 HG2 ARG 29 -5.229 2.303 2.612 225 HG3 ARG 29 HG1 ARG 29 -6.140 1.367 3.809 226 HD2 ARG 29 HD2 ARG 29 -8.005 2.783 3.650 227 HD3 ARG 29 HD1 ARG 29 -7.072 4.070 2.890 228 HE ARG 29 HE ARG 29 -7.174 2.929 0.853 229 HH11 ARG 29 1HH1 ARG 29 -8.893 1.219 3.368 230 HH12 ARG 29 2HH1 ARG 29 -9.612 0.085 2.276 231 HH21 ARG 29 1HH2 ARG 29 -8.081 1.398 -0.575 232 HH22 ARG 29 2HH2 ARG 29 -9.150 0.184 0.042 233 H ARG 30 H ARG 30 -4.716 3.536 7.792 234 HA ARG 30 HA ARG 30 -2.857 5.574 7.627 235 HB2 ARG 30 HB2 ARG 30 -3.667 3.994 10.085 236 HB3 ARG 30 HB1 ARG 30 -2.820 5.534 10.115 237 HG2 ARG 30 HG2 ARG 30 -5.345 5.479 8.598 238 HG3 ARG 30 HG1 ARG 30 -5.476 5.294 10.347 239 HD2 ARG 30 HD2 ARG 30 -3.851 7.341 10.385 240 HD3 ARG 30 HD1 ARG 30 -4.451 7.594 8.746 241 HE ARG 30 HE ARG 30 -6.349 8.434 9.668 242 HH11 ARG 30 1HH1 ARG 30 -4.906 6.260 11.985 243 HH12 ARG 30 2HH1 ARG 30 -6.103 6.562 13.200 244 HH21 ARG 30 1HH2 ARG 30 -7.922 8.834 11.264 245 HH22 ARG 30 2HH2 ARG 30 -7.814 8.023 12.792 246 H ARG 31 H ARG 31 -2.499 2.213 8.522 247 HA ARG 31 HA ARG 31 0.240 2.376 9.290 248 HB2 ARG 31 HB2 ARG 31 -1.299 -0.061 8.387 249 HB3 ARG 31 HB1 ARG 31 0.187 -0.040 9.327 250 HG2 ARG 31 HG2 ARG 31 -2.423 1.122 10.272 251 HG3 ARG 31 HG1 ARG 31 -1.858 -0.506 10.655 252 HD2 ARG 31 HD2 ARG 31 0.061 1.663 11.185 253 HD3 ARG 31 HD1 ARG 31 -1.389 1.672 12.190 254 HE ARG 31 HE ARG 31 -0.567 -0.896 12.331 255 HH11 ARG 31 1HH1 ARG 31 1.059 2.148 12.846 256 HH12 ARG 31 2HH1 ARG 31 2.159 1.506 14.018 257 HH21 ARG 31 1HH2 ARG 31 0.878 -1.743 13.873 258 HH22 ARG 31 2HH2 ARG 31 2.057 -0.704 14.601 259 H ILE 32 H ILE 32 -1.449 1.794 6.208 260 HA ILE 32 HA ILE 32 1.036 1.004 4.916 261 HB ILE 32 HB ILE 32 -0.529 -0.079 3.761 262 HG12 ILE 32 2HG1 ILE 32 -1.190 1.019 1.699 263 HG13 ILE 32 1HG1 ILE 32 -0.745 2.566 2.424 264 HG21 ILE 32 1HG2 ILE 32 -2.808 0.659 3.368 265 HG22 ILE 32 2HG2 ILE 32 -2.445 2.094 4.319 266 HG23 ILE 32 3HG2 ILE 32 -2.382 0.502 5.072 267 HD11 ILE 32 3HD1 ILE 32 1.345 2.265 1.815 268 HD12 ILE 32 1HD1 ILE 32 0.789 0.809 1.013 269 HD13 ILE 32 2HD1 ILE 32 1.398 0.719 2.654 270 H TYR 33 H TYR 33 -0.919 3.772 5.331 271 HA TYR 33 HA TYR 33 0.309 5.357 3.445 272 HB2 TYR 33 HB2 TYR 33 -1.807 5.864 4.872 273 HB3 TYR 33 HB1 TYR 33 -0.645 6.593 5.983 274 HD1 TYR 33 HD2 TYR 33 0.882 6.949 2.967 275 HD2 TYR 33 HD1 TYR 33 -2.480 8.480 5.083 276 HE1 TYR 33 HE2 TYR 33 0.906 8.940 1.546 277 HE2 TYR 33 HE1 TYR 33 -2.435 10.504 3.689 278 HH TYR 33 HH TYR 33 0.166 11.325 1.715 279 H ALA 34 H ALA 34 1.259 4.484 6.686 280 HA ALA 34 HA ALA 34 3.148 6.428 7.211 281 HB1 ALA 34 HB1 ALA 34 3.583 3.582 8.001 282 HB2 ALA 34 HB2 ALA 34 2.307 4.556 8.729 283 HB3 ALA 34 HB3 ALA 34 3.993 5.049 8.891 284 H GLU 35 H GLU 35 3.640 3.344 5.625 285 HA GLU 35 HA GLU 35 6.378 3.634 5.092 286 HB2 GLU 35 HB2 GLU 35 5.831 2.043 3.146 287 HB3 GLU 35 HB1 GLU 35 5.517 1.485 4.789 288 HG2 GLU 35 HG2 GLU 35 3.192 2.822 3.975 289 HG3 GLU 35 HG1 GLU 35 3.705 1.812 2.600 290 H SER 36 H SER 36 3.556 4.907 3.461 291 HA SER 36 HA SER 36 4.444 5.408 0.933 292 HB2 SER 36 HB2 SER 36 2.747 6.991 0.728 293 HB3 SER 36 HB1 SER 36 2.186 5.995 2.070 294 HG SER 36 HG SER 36 3.013 8.627 2.038 295 H LYS 37 H LYS 37 4.851 7.706 3.668 296 HA LYS 37 HA LYS 37 6.413 9.507 2.167 297 HB2 LYS 37 HB2 LYS 37 7.033 9.228 5.038 298 HB3 LYS 37 HB1 LYS 37 6.775 10.679 4.092 299 HG2 LYS 37 HG2 LYS 37 4.693 8.845 5.241 300 HG3 LYS 37 HG1 LYS 37 4.986 10.539 5.633 301 HD2 LYS 37 HD2 LYS 37 4.361 9.887 2.805 302 HD3 LYS 37 HD1 LYS 37 3.045 9.764 3.970 303 HE2 LYS 37 HE2 LYS 37 3.685 12.093 4.728 304 HE3 LYS 37 HE1 LYS 37 4.710 12.173 3.296 305 HZ1 LYS 37 HZ1 LYS 37 1.762 11.854 3.384 306 HZ2 LYS 37 HZ2 LYS 37 2.675 11.646 1.975 307 HZ3 LYS 37 HZ3 LYS 37 2.640 13.151 2.745 308 H ALA 38 H ALA 38 7.198 6.613 3.991 309 HA ALA 38 HA ALA 38 9.959 6.780 4.088 310 HB1 ALA 38 HB1 ALA 38 8.293 4.921 4.913 311 HB2 ALA 38 HB2 ALA 38 9.977 4.533 4.562 312 HB3 ALA 38 HB3 ALA 38 8.723 4.173 3.375 313 H ARG 39 H ARG 39 7.812 6.112 1.515 314 HA ARG 39 HA ARG 39 9.699 5.216 -0.403 315 HB2 ARG 39 HB2 ARG 39 7.068 6.509 -0.969 316 HB3 ARG 39 HB1 ARG 39 7.894 5.277 -1.919 317 HG2 ARG 39 HG2 ARG 39 7.301 4.465 0.828 318 HG3 ARG 39 HG1 ARG 39 5.865 4.804 -0.153 319 HD2 ARG 39 HD2 ARG 39 6.154 2.970 -1.412 320 HD3 ARG 39 HD1 ARG 39 7.888 3.239 -1.560 321 HE ARG 39 HE ARG 39 8.244 1.905 0.302 322 HH11 ARG 39 1HH1 ARG 39 4.820 2.378 -0.213 323 HH12 ARG 39 2HH1 ARG 39 4.359 1.106 0.865 324 HH21 ARG 39 1HH2 ARG 39 7.632 0.237 1.722 325 HH22 ARG 39 2HH2 ARG 39 5.953 -0.107 1.965 326 H ILE 40 H ILE 40 8.412 8.336 0.582 327 HA ILE 40 HA ILE 40 9.250 9.777 -1.674 328 HB ILE 40 HB ILE 40 8.889 10.672 1.172 329 HG12 ILE 40 2HG1 ILE 40 6.728 10.417 0.657 330 HG13 ILE 40 1HG1 ILE 40 6.901 11.690 -0.535 331 HG21 ILE 40 1HG2 ILE 40 8.974 12.918 0.461 332 HG22 ILE 40 2HG2 ILE 40 8.957 12.465 -1.242 333 HG23 ILE 40 3HG2 ILE 40 10.389 12.153 -0.261 334 HD11 ILE 40 3HD1 ILE 40 5.890 9.379 -1.197 335 HD12 ILE 40 1HD1 ILE 40 7.581 8.853 -1.298 336 HD13 ILE 40 2HD1 ILE 40 6.995 10.202 -2.292 337 H GLU 41 H GLU 41 10.845 8.585 1.080 338 HA GLU 41 HA GLU 41 13.363 9.922 0.700 339 HB2 GLU 41 HB2 GLU 41 12.805 7.338 2.176 340 HB3 GLU 41 HB1 GLU 41 14.216 8.371 2.359 341 HG2 GLU 41 HG2 GLU 41 12.309 10.143 2.959 342 HG3 GLU 41 HG1 GLU 41 11.491 8.662 3.454 343 H GLU 42 H GLU 42 11.721 7.208 -0.540 344 HA GLU 42 HA GLU 42 13.534 5.360 -1.366 345 HB2 GLU 42 HB2 GLU 42 11.031 5.294 -1.563 346 HB3 GLU 42 HB1 GLU 42 11.155 6.447 -2.863 347 HG2 GLU 42 HG2 GLU 42 11.339 4.895 -4.344 348 HG3 GLU 42 HG1 GLU 42 12.815 4.291 -3.568 349 H HIS 43 H HIS 43 12.174 7.731 -3.656 350 HA HIS 43 HA HIS 43 14.294 7.225 -5.528 351 HB2 HIS 43 HB2 HIS 43 11.880 8.998 -5.546 352 HB3 HIS 43 HB1 HIS 43 13.024 8.954 -6.882 353 HD1 HIS 43 HD1 HIS 43 10.404 6.888 -5.166 354 HD2 HIS 43 HD2 HIS 43 12.848 6.706 -8.522 355 HE1 HIS 43 HE1 HIS 43 9.542 4.953 -6.522 356 HE2 HIS 43 HE2 HIS 43 10.983 4.915 -8.588 357 H ASN 44 H ASN 44 13.418 9.749 -3.310 358 HA ASN 44 HA ASN 44 15.006 11.772 -4.388 359 HB2 ASN 44 HB2 ASN 44 13.501 11.316 -1.946 360 HB3 ASN 44 HB1 ASN 44 14.910 12.355 -1.714 361 HD21 ASN 44 1HD2 ASN 44 15.006 14.314 -2.707 362 HD22 ASN 44 2HD2 ASN 44 13.642 15.055 -3.473 363 H ARG 45 H ARG 45 15.786 9.071 -2.383 364 HA ARG 45 HA ARG 45 18.434 10.089 -1.742 365 HB2 ARG 45 HB2 ARG 45 16.802 7.714 -0.984 366 HB3 ARG 45 HB1 ARG 45 18.553 7.602 -0.833 367 HG2 ARG 45 HG2 ARG 45 17.142 9.947 0.345 368 HG3 ARG 45 HG1 ARG 45 17.081 8.391 1.176 369 HD2 ARG 45 HD2 ARG 45 19.717 9.411 0.238 370 HD3 ARG 45 HD1 ARG 45 18.992 10.136 1.673 371 HE ARG 45 HE ARG 45 18.832 7.490 2.183 372 HH11 ARG 45 1HH1 ARG 45 21.461 9.562 1.198 373 HH12 ARG 45 2HH1 ARG 45 22.672 8.614 1.991 374 HH21 ARG 45 1HH2 ARG 45 20.423 6.240 3.228 375 HH22 ARG 45 2HH2 ARG 45 22.083 6.728 3.145 376 H LYS 46 H LYS 46 16.882 8.254 -4.133 377 HA LYS 46 HA LYS 46 18.911 6.485 -4.962 378 HB2 LYS 46 HB2 LYS 46 16.283 7.301 -5.639 379 HB3 LYS 46 HB1 LYS 46 17.220 7.154 -7.103 380 HG2 LYS 46 HG2 LYS 46 17.530 4.896 -6.872 381 HG3 LYS 46 HG1 LYS 46 17.353 4.951 -5.116 382 HD2 LYS 46 HD2 LYS 46 15.078 4.849 -5.206 383 HD3 LYS 46 HD1 LYS 46 14.993 5.704 -6.747 384 HE2 LYS 46 HE2 LYS 46 15.075 3.805 -7.941 385 HE3 LYS 46 HE1 LYS 46 16.304 3.091 -6.898 386 HZ1 LYS 46 HZ1 LYS 46 13.894 2.121 -6.998 387 HZ2 LYS 46 HZ2 LYS 46 13.571 3.337 -5.868 388 HZ3 LYS 46 HZ3 LYS 46 14.746 2.167 -5.536 389 H PHE 47 H PHE 47 17.839 9.500 -6.626 390 HA PHE 47 HA PHE 47 20.061 9.505 -8.414 391 HB2 PHE 47 HB2 PHE 47 19.448 11.811 -8.936 392 HB3 PHE 47 HB1 PHE 47 18.027 10.779 -9.004 393 HD1 PHE 47 HD1 PHE 47 19.708 13.468 -7.163 394 HD2 PHE 47 HD2 PHE 47 16.265 11.014 -7.483 395 HE1 PHE 47 HE1 PHE 47 18.495 14.998 -5.662 396 HE2 PHE 47 HE2 PHE 47 15.026 12.539 -5.992 397 HZ PHE 47 HZ PHE 47 16.146 14.533 -5.074 398 H GLU 48 H GLU 48 19.126 10.639 -5.397 399 HA GLU 48 HA GLU 48 21.092 12.373 -4.638 400 HB2 GLU 48 HB2 GLU 48 18.986 10.808 -3.546 401 HB3 GLU 48 HB1 GLU 48 20.419 10.554 -2.525 402 HG2 GLU 48 HG2 GLU 48 20.620 13.116 -2.495 403 HG3 GLU 48 HG1 GLU 48 18.959 13.111 -3.088 404 H LYS 49 H LYS 49 21.234 9.136 -5.587 405 HA LYS 49 HA LYS 49 23.767 8.569 -4.267 406 HB2 LYS 49 HB2 LYS 49 21.585 6.999 -4.541 407 HB3 LYS 49 HB1 LYS 49 22.521 6.513 -5.947 408 HG2 LYS 49 HG2 LYS 49 24.003 5.387 -4.717 409 HG3 LYS 49 HG1 LYS 49 24.099 6.659 -3.497 410 HD2 LYS 49 HD2 LYS 49 21.540 5.281 -3.457 411 HD3 LYS 49 HD1 LYS 49 22.896 4.181 -3.204 412 HE2 LYS 49 HE2 LYS 49 23.089 6.688 -1.704 413 HE3 LYS 49 HE1 LYS 49 21.703 5.691 -1.264 414 HZ1 LYS 49 HZ1 LYS 49 24.530 4.779 -1.323 415 HZ2 LYS 49 HZ2 LYS 49 23.197 3.839 -0.875 416 HZ3 LYS 49 HZ3 LYS 49 23.651 5.165 0.071 417 H GLY 50 H GLY 50 23.185 10.346 -6.742 418 HA2 GLY 50 HA2 GLY 50 24.145 10.709 -8.825 419 HA3 GLY 50 HA1 GLY 50 25.554 9.882 -8.152 420 H GLU 51 H GLU 51 22.427 8.517 -8.344 421 HA GLU 51 HA GLU 51 23.377 6.272 -9.884 422 HB2 GLU 51 HB2 GLU 51 21.605 6.773 -7.724 423 HB3 GLU 51 HB1 GLU 51 20.621 6.141 -9.063 424 HG2 GLU 51 HG2 GLU 51 21.294 4.283 -7.764 425 HG3 GLU 51 HG1 GLU 51 22.243 4.239 -9.250 426 H VAL 52 H VAL 52 20.439 8.279 -9.938 427 HA VAL 52 HA VAL 52 20.439 8.570 -12.801 428 HB VAL 52 HB VAL 52 18.878 7.020 -13.299 429 HG11 VAL 52 1HG1 VAL 52 18.883 6.294 -10.398 430 HG12 VAL 52 2HG1 VAL 52 19.982 5.638 -11.616 431 HG13 VAL 52 3HG1 VAL 52 18.254 5.283 -11.700 432 HG21 VAL 52 3HG2 VAL 52 16.680 6.935 -11.964 433 HG22 VAL 52 1HG2 VAL 52 17.044 8.362 -12.926 434 HG23 VAL 52 2HG2 VAL 52 17.288 8.396 -11.174 435 H THR 53 H THR 53 18.234 9.825 -13.244 436 HA THR 53 HA THR 53 17.837 11.412 -10.807 437 HB THR 53 HB THR 53 18.862 12.559 -12.719 438 HG1 THR 53 HG1 THR 53 16.316 13.432 -11.823 439 HG21 THR 53 3HG2 THR 53 16.187 12.558 -14.066 440 HG22 THR 53 1HG2 THR 53 17.415 11.356 -14.457 441 HG23 THR 53 2HG2 THR 53 17.750 13.071 -14.698 442 H TRP 54 H TRP 54 16.358 10.218 -9.935 443 HA TRP 54 HA TRP 54 13.680 10.246 -11.125 444 HB2 TRP 54 HB2 TRP 54 13.326 7.942 -9.992 445 HB3 TRP 54 HB1 TRP 54 14.134 8.007 -11.550 446 HD1 TRP 54 HD TRP 54 16.553 9.016 -8.931 447 HE1 TRP 54 HE1 TRP 54 18.140 7.068 -8.386 448 HE3 TRP 54 HE3 TRP 54 13.955 5.225 -11.170 449 HZ2 TRP 54 HZ2 TRP 54 18.242 4.276 -8.809 450 HZ3 TRP 54 HZ3 TRP 54 14.859 2.941 -11.040 451 HH2 TRP 54 HH TRP 54 16.959 2.478 -9.884 452 H LYS 55 H LYS 55 12.095 10.824 -9.754 453 HA LYS 55 HA LYS 55 12.801 11.054 -6.911 454 HB2 LYS 55 HB2 LYS 55 10.605 12.729 -7.291 455 HB3 LYS 55 HB1 LYS 55 12.277 13.190 -6.955 456 HG2 LYS 55 HG2 LYS 55 12.680 13.006 -9.439 457 HG3 LYS 55 HG1 LYS 55 10.923 13.025 -9.617 458 HD2 LYS 55 HD2 LYS 55 11.622 15.122 -7.844 459 HD3 LYS 55 HD1 LYS 55 12.716 15.220 -9.225 460 HE2 LYS 55 HE2 LYS 55 11.064 15.784 -10.660 461 HE3 LYS 55 HE1 LYS 55 9.879 14.749 -9.866 462 HZ1 LYS 55 HZ1 LYS 55 9.240 17.010 -9.562 463 HZ2 LYS 55 HZ2 LYS 55 10.771 17.437 -8.983 464 HZ3 LYS 55 HZ3 LYS 55 9.773 16.425 -8.066 465 H MET 56 H MET 56 11.181 10.968 -5.431 466 HA MET 56 HA MET 56 9.581 8.649 -5.577 467 HB2 MET 56 HB2 MET 56 8.422 10.151 -3.618 468 HB3 MET 56 HB1 MET 56 9.829 9.129 -3.371 469 HG2 MET 56 HG2 MET 56 10.108 11.332 -2.386 470 HG3 MET 56 HG1 MET 56 11.260 11.084 -3.692 471 HE1 MET 56 HE1 MET 56 7.785 13.775 -3.162 472 HE2 MET 56 HE2 MET 56 7.806 12.035 -2.877 473 HE3 MET 56 HE3 MET 56 7.251 12.669 -4.427 474 H GLY 57 H GLY 57 7.056 8.895 -4.977 475 HA2 GLY 57 HA2 GLY 57 5.765 11.190 -6.114 476 HA3 GLY 57 HA1 GLY 57 5.635 9.752 -7.117 477 H ILE 58 H ILE 58 5.816 8.825 -3.887 478 HA ILE 58 HA ILE 58 4.288 8.052 -2.378 479 HB ILE 58 HB ILE 58 2.508 9.990 -3.795 480 HG12 ILE 58 2HG1 ILE 58 4.633 10.807 -2.529 481 HG13 ILE 58 1HG1 ILE 58 3.110 11.647 -2.268 482 HG21 ILE 58 1HG2 ILE 58 2.055 8.224 -1.461 483 HG22 ILE 58 2HG2 ILE 58 0.934 8.748 -2.716 484 HG23 ILE 58 3HG2 ILE 58 1.356 9.842 -1.399 485 HD11 ILE 58 3HD1 ILE 58 4.529 11.130 -0.229 486 HD12 ILE 58 1HD1 ILE 58 4.041 9.449 -0.447 487 HD13 ILE 58 2HD1 ILE 58 2.824 10.691 -0.149 488 H ASN 59 H ASN 59 3.945 5.960 -3.010 489 HA ASN 59 HA ASN 59 2.693 5.475 -5.465 490 HB2 ASN 59 HB2 ASN 59 3.527 3.673 -3.207 491 HB3 ASN 59 HB1 ASN 59 2.611 3.031 -4.568 492 HD21 ASN 59 1HD2 ASN 59 3.573 4.017 -6.743 493 HD22 ASN 59 2HD2 ASN 59 5.274 3.765 -6.912 494 H HIS 60 H HIS 60 0.670 4.388 -5.863 495 HA HIS 60 HA HIS 60 -1.525 5.526 -4.596 496 HB2 HIS 60 HB2 HIS 60 -1.427 2.954 -6.185 497 HB3 HIS 60 HB1 HIS 60 -2.882 3.877 -5.822 498 HD1 HIS 60 HD1 HIS 60 -3.551 5.529 -7.542 499 HD2 HIS 60 HD2 HIS 60 0.475 4.536 -7.824 500 HE1 HIS 60 HE1 HIS 60 -2.708 6.715 -9.593 501 HE2 HIS 60 HE2 HIS 60 -0.246 6.185 -9.682 502 H LEU 61 H LEU 61 -0.442 2.111 -4.322 503 HA LEU 61 HA LEU 61 -2.289 1.614 -2.247 504 HB2 LEU 61 HB2 LEU 61 -1.286 -0.462 -1.864 505 HB3 LEU 61 HB1 LEU 61 -1.296 -0.212 -3.600 506 HG LEU 61 HG LEU 61 0.736 -1.281 -2.377 507 HD11 LEU 61 1HD1 LEU 61 2.180 0.243 -4.116 508 HD12 LEU 61 2HD1 LEU 61 0.538 0.437 -4.728 509 HD13 LEU 61 3HD1 LEU 61 1.228 -1.176 -4.552 510 HD21 LEU 61 3HD2 LEU 61 1.056 0.596 -0.780 511 HD22 LEU 61 1HD2 LEU 61 1.577 1.591 -2.146 512 HD23 LEU 61 2HD2 LEU 61 2.491 0.156 -1.702 513 H ALA 62 H ALA 62 0.426 3.557 -2.154 514 HA ALA 62 HA ALA 62 1.557 2.723 0.247 515 HB1 ALA 62 HB1 ALA 62 2.556 4.793 0.538 516 HB2 ALA 62 HB2 ALA 62 1.440 5.591 -0.591 517 HB3 ALA 62 HB3 ALA 62 2.620 4.417 -1.192 518 H ASP 63 H ASP 63 -1.533 3.481 -0.217 519 HA ASP 63 HA ASP 63 -1.814 4.417 2.524 520 HB2 ASP 63 HB2 ASP 63 -2.547 5.951 0.598 521 HB3 ASP 63 HB1 ASP 63 -3.848 4.811 0.327 522 H LEU 64 H LEU 64 -2.594 2.273 -0.042 523 HA LEU 64 HA LEU 64 -3.862 0.573 1.957 524 HB2 LEU 64 HB2 LEU 64 -5.411 -0.185 0.263 525 HB3 LEU 64 HB1 LEU 64 -5.676 1.491 0.710 526 HG LEU 64 HG LEU 64 -3.959 1.777 -1.357 527 HD11 LEU 64 1HD1 LEU 64 -3.724 -0.167 -2.313 528 HD12 LEU 64 2HD1 LEU 64 -5.248 0.250 -3.108 529 HD13 LEU 64 3HD1 LEU 64 -5.246 -0.820 -1.700 530 HD21 LEU 64 3HD2 LEU 64 -6.407 2.651 -0.807 531 HD22 LEU 64 1HD2 LEU 64 -6.812 1.541 -2.114 532 HD23 LEU 64 2HD2 LEU 64 -5.669 2.856 -2.394 533 H THR 65 H THR 65 -2.141 -0.625 2.096 534 HA THR 65 HA THR 65 -1.220 -2.085 -0.276 535 HB THR 65 HB THR 65 0.446 -2.875 1.811 536 HG1 THR 65 HG1 THR 65 0.936 -1.184 3.000 537 HG21 THR 65 3HG2 THR 65 1.751 -0.691 0.687 538 HG22 THR 65 1HG2 THR 65 0.721 -1.350 -0.579 539 HG23 THR 65 2HG2 THR 65 1.889 -2.387 0.230 540 HA PRO 66 HA PRO 66 -2.450 -6.271 1.075 541 HB2 PRO 66 HB2 PRO 66 -0.386 -6.960 2.896 542 HB3 PRO 66 HB1 PRO 66 -0.459 -7.398 1.181 543 HG2 PRO 66 HG2 PRO 66 0.784 -4.973 2.463 544 HG3 PRO 66 HG1 PRO 66 1.508 -6.073 1.245 545 HD2 PRO 66 HD2 PRO 66 0.575 -3.853 0.344 546 HD3 PRO 66 HD1 PRO 66 -0.120 -5.313 -0.402 547 H GLU 67 H GLU 67 -1.163 -3.985 3.421 548 HA GLU 67 HA GLU 67 -2.295 -4.904 5.818 549 HB2 GLU 67 HB2 GLU 67 -2.510 -1.978 5.247 550 HB3 GLU 67 HB1 GLU 67 -1.759 -2.790 6.638 551 HG2 GLU 67 HG2 GLU 67 -0.629 -2.146 3.946 552 HG3 GLU 67 HG1 GLU 67 -0.052 -1.638 5.535 553 H GLU 68 H GLU 68 -3.322 -2.553 3.516 554 HA GLU 68 HA GLU 68 -6.053 -2.390 4.412 555 HB2 GLU 68 HB2 GLU 68 -4.903 -0.442 3.530 556 HB3 GLU 68 HB1 GLU 68 -4.629 -1.271 2.005 557 HG2 GLU 68 HG2 GLU 68 -7.404 -0.869 3.030 558 HG3 GLU 68 HG1 GLU 68 -6.548 0.407 2.161 559 H PHE 69 H PHE 69 -4.354 -3.492 1.567 560 HA PHE 69 HA PHE 69 -6.384 -4.373 -0.035 561 HB2 PHE 69 HB2 PHE 69 -3.505 -4.924 0.284 562 HB3 PHE 69 HB1 PHE 69 -4.398 -6.151 -0.599 563 HD1 PHE 69 HD1 PHE 69 -5.817 -5.368 -2.563 564 HD2 PHE 69 HD2 PHE 69 -2.732 -2.953 -0.815 565 HE1 PHE 69 HE1 PHE 69 -5.675 -4.045 -4.628 566 HE2 PHE 69 HE2 PHE 69 -2.609 -1.651 -2.890 567 HZ PHE 69 HZ PHE 69 -4.073 -2.186 -4.792 568 H ALA 70 H ALA 70 -4.714 -6.186 2.520 569 HA ALA 70 HA ALA 70 -6.277 -8.560 2.043 570 HB1 ALA 70 HB1 ALA 70 -4.925 -9.621 3.600 571 HB2 ALA 70 HB2 ALA 70 -4.572 -8.125 4.462 572 HB3 ALA 70 HB3 ALA 70 -3.850 -8.422 2.881 573 H GLN 71 H GLN 71 -6.377 -5.853 4.275 574 HA GLN 71 HA GLN 71 -8.436 -7.164 5.875 575 HB2 GLN 71 HB2 GLN 71 -6.928 -4.578 6.209 576 HB3 GLN 71 HB1 GLN 71 -8.262 -5.043 7.255 577 HG2 GLN 71 HG2 GLN 71 -6.034 -6.968 6.876 578 HG3 GLN 71 HG1 GLN 71 -5.760 -5.551 7.889 579 HE21 GLN 71 1HE2 GLN 71 -8.009 -5.186 9.227 580 HE22 GLN 71 2HE2 GLN 71 -8.413 -6.564 10.187 581 H ARG 72 H ARG 72 -8.380 -5.274 3.123 582 HA ARG 72 HA ARG 72 -10.793 -3.784 3.745 583 HB2 ARG 72 HB2 ARG 72 -10.541 -2.738 1.603 584 HB3 ARG 72 HB1 ARG 72 -8.967 -2.764 2.378 585 HG2 ARG 72 HG2 ARG 72 -8.155 -3.658 0.521 586 HG3 ARG 72 HG1 ARG 72 -9.061 -5.120 0.900 587 HD2 ARG 72 HD2 ARG 72 -10.782 -4.592 -0.541 588 HD3 ARG 72 HD1 ARG 72 -10.437 -2.863 -0.482 589 HE ARG 72 HE ARG 72 -8.332 -4.372 -1.700 590 HH11 ARG 72 1HH1 ARG 72 -11.436 -2.885 -2.274 591 HH12 ARG 72 2HH1 ARG 72 -11.164 -2.681 -3.972 592 HH21 ARG 72 1HH2 ARG 72 -7.972 -4.104 -3.931 593 HH22 ARG 72 2HH2 ARG 72 -9.198 -3.374 -4.914 594 H SER 73 H SER 73 -9.714 -6.573 1.958 595 HA SER 73 HA SER 73 -12.113 -7.902 2.040 596 HB2 SER 73 HB2 SER 73 -12.332 -5.846 0.194 597 HB3 SER 73 HB1 SER 73 -11.978 -7.255 -0.805 598 HG SER 73 HG SER 73 -14.248 -6.897 -0.358 599 H GLY 74 H GLY 74 -9.465 -8.561 2.374 600 HA2 GLY 74 HA2 GLY 74 -8.784 -10.194 0.023 601 HA3 GLY 74 HA1 GLY 74 -7.676 -9.758 1.314 602 H LYS 75 H LYS 75 -8.628 -10.543 3.569 603 HA LYS 75 HA LYS 75 -9.247 -13.398 3.210 604 HB2 LYS 75 HB2 LYS 75 -8.251 -13.629 5.530 605 HB3 LYS 75 HB1 LYS 75 -7.127 -13.211 4.244 606 HG2 LYS 75 HG2 LYS 75 -8.224 -10.849 5.496 607 HG3 LYS 75 HG1 LYS 75 -7.448 -11.911 6.672 608 HD2 LYS 75 HD2 LYS 75 -6.120 -11.137 4.087 609 HD3 LYS 75 HD1 LYS 75 -5.981 -10.154 5.546 610 HE2 LYS 75 HE2 LYS 75 -4.405 -11.496 6.353 611 HE3 LYS 75 HE1 LYS 75 -5.461 -12.899 6.182 612 HZ1 LYS 75 HZ1 LYS 75 -4.225 -11.907 3.742 613 HZ2 LYS 75 HZ2 LYS 75 -4.502 -13.497 4.247 614 HZ3 LYS 75 HZ3 LYS 75 -3.184 -12.633 4.861 615 H LYS 76 H LYS 76 -10.382 -10.441 4.510 616 HA LYS 76 HA LYS 76 -12.317 -9.874 5.562 617 HB2 LYS 76 HB2 LYS 76 -13.238 -11.660 3.990 618 HB3 LYS 76 HB1 LYS 76 -13.168 -12.759 5.361 619 HG2 LYS 76 HG2 LYS 76 -14.964 -11.846 6.357 620 HG3 LYS 76 HG1 LYS 76 -14.538 -10.207 5.863 621 HD2 LYS 76 HD2 LYS 76 -15.502 -12.204 3.849 622 HD3 LYS 76 HD1 LYS 76 -16.650 -11.319 4.855 623 HE2 LYS 76 HE2 LYS 76 -16.285 -9.367 3.782 624 HE3 LYS 76 HE1 LYS 76 -14.563 -9.685 3.573 625 HZ1 LYS 76 HZ1 LYS 76 -15.105 -11.197 1.763 626 HZ2 LYS 76 HZ2 LYS 76 -15.710 -9.649 1.454 627 HZ3 LYS 76 HZ3 LYS 76 -16.754 -10.879 1.961 628 H VAL 77 H VAL 77 -13.103 -9.756 7.652 629 HA VAL 77 HA VAL 77 -11.571 -11.294 9.618 630 HB VAL 77 HB VAL 77 -12.367 -9.601 11.251 631 HG11 VAL 77 1HG1 VAL 77 -11.189 -7.616 9.897 632 HG12 VAL 77 2HG1 VAL 77 -10.717 -8.977 8.879 633 HG13 VAL 77 3HG1 VAL 77 -10.295 -8.968 10.591 634 HG21 VAL 77 3HG2 VAL 77 -13.765 -7.871 10.733 635 HG22 VAL 77 1HG2 VAL 77 -14.400 -9.098 9.636 636 HG23 VAL 77 2HG2 VAL 77 -13.300 -7.858 9.031 637 HA PRO 78 HA PRO 78 -14.871 -13.896 10.932 638 HB2 PRO 78 HB2 PRO 78 -14.177 -13.037 13.698 639 HB3 PRO 78 HB1 PRO 78 -14.325 -14.666 13.031 640 HG2 PRO 78 HG2 PRO 78 -11.929 -13.611 13.505 641 HG3 PRO 78 HG1 PRO 78 -12.216 -14.605 12.064 642 HD2 PRO 78 HD2 PRO 78 -11.957 -11.641 12.305 643 HD3 PRO 78 HD1 PRO 78 -11.415 -12.721 11.003 644 HA PRO 79 HA PRO 79 -18.174 -10.833 11.178 645 HB2 PRO 79 HB2 PRO 79 -19.718 -13.329 11.708 646 HB3 PRO 79 HB1 PRO 79 -20.051 -12.021 10.566 647 HG2 PRO 79 HG2 PRO 79 -19.084 -14.346 9.711 648 HG3 PRO 79 HG1 PRO 79 -18.530 -12.817 9.006 649 HD2 PRO 79 HD2 PRO 79 -17.153 -14.624 10.941 650 HD3 PRO 79 HD1 PRO 79 -16.471 -13.647 9.625 651 H ASN 80 H ASN 80 -18.328 -13.638 13.385 652 HA ASN 80 HA ASN 80 -18.497 -11.797 15.650 653 HB2 ASN 80 HB2 ASN 80 -20.358 -13.197 16.618 654 HB3 ASN 80 HB1 ASN 80 -20.812 -12.225 15.221 655 HD21 ASN 80 1HD2 ASN 80 -21.385 -13.217 13.332 656 HD22 ASN 80 2HD2 ASN 80 -21.631 -14.922 13.195 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 5.161 4.174 15.106 2 H2 MET 1 HT2 MET 1 6.803 3.910 15.535 3 H3 MET 1 HT3 MET 1 6.063 2.943 14.326 4 HA MET 1 HA MET 1 6.297 5.852 14.071 5 HB2 MET 1 HB2 MET 1 8.510 4.630 14.505 6 HB3 MET 1 HB1 MET 1 8.246 3.839 12.957 7 HG2 MET 1 HG2 MET 1 9.691 5.672 12.578 8 HG3 MET 1 HG1 MET 1 8.117 6.102 11.912 9 HE1 MET 1 HE1 MET 1 9.835 9.101 12.633 10 HE2 MET 1 HE2 MET 1 8.106 9.441 12.704 11 HE3 MET 1 HE3 MET 1 8.720 8.222 11.587 12 H MET 2 H MET 2 4.177 3.978 13.379 13 HA MET 2 HA MET 2 4.424 3.914 10.448 14 HB2 MET 2 HB2 MET 2 2.795 2.274 12.371 15 HB3 MET 2 HB1 MET 2 2.399 2.341 10.659 16 HG2 MET 2 HG2 MET 2 4.922 1.713 10.365 17 HG3 MET 2 HG1 MET 2 4.751 1.128 12.019 18 HE1 MET 2 HE1 MET 2 5.575 -0.859 9.592 19 HE2 MET 2 HE2 MET 2 4.609 -2.236 10.123 20 HE3 MET 2 HE3 MET 2 5.442 -1.235 11.311 21 H SER 3 H SER 3 3.039 5.703 12.903 22 HA SER 3 HA SER 3 0.617 6.366 11.418 23 HB2 SER 3 HB2 SER 3 1.363 7.741 13.964 24 HB3 SER 3 HB1 SER 3 -0.227 7.258 13.371 25 HG SER 3 HG SER 3 1.741 5.722 14.655 26 H LEU 4 H LEU 4 3.501 7.175 10.703 27 HA LEU 4 HA LEU 4 3.787 9.947 11.035 28 HB2 LEU 4 HB2 LEU 4 4.742 8.772 8.477 29 HB3 LEU 4 HB1 LEU 4 5.555 9.858 9.588 30 HG LEU 4 HG LEU 4 6.830 7.965 9.807 31 HD11 LEU 4 1HD1 LEU 4 5.329 8.639 11.977 32 HD12 LEU 4 2HD1 LEU 4 6.696 7.526 11.990 33 HD13 LEU 4 3HD1 LEU 4 5.052 6.900 11.865 34 HD21 LEU 4 3HD2 LEU 4 6.241 5.945 9.084 35 HD22 LEU 4 1HD2 LEU 4 4.722 6.686 8.580 36 HD23 LEU 4 2HD2 LEU 4 4.834 5.881 10.145 37 H VAL 5 H VAL 5 2.277 8.053 8.464 38 HA VAL 5 HA VAL 5 1.222 10.559 7.351 39 HB VAL 5 HB VAL 5 1.001 8.186 5.653 40 HG11 VAL 5 1HG1 VAL 5 2.463 10.557 4.792 41 HG12 VAL 5 2HG1 VAL 5 0.818 10.878 5.348 42 HG13 VAL 5 3HG1 VAL 5 1.111 9.735 4.034 43 HG21 VAL 5 3HG2 VAL 5 3.739 9.320 6.222 44 HG22 VAL 5 1HG2 VAL 5 3.335 8.082 5.033 45 HG23 VAL 5 2HG2 VAL 5 3.173 7.739 6.754 46 H SER 6 H SER 6 -0.725 10.904 8.081 47 HA SER 6 HA SER 6 -2.608 8.689 8.372 48 HB2 SER 6 HB2 SER 6 -2.813 11.599 9.185 49 HB3 SER 6 HB1 SER 6 -4.069 10.392 9.458 50 HG SER 6 HG SER 6 -1.415 10.233 10.452 51 H ASP 7 H ASP 7 -4.955 9.425 7.755 52 HA ASP 7 HA ASP 7 -5.234 9.454 5.022 53 HB2 ASP 7 HB2 ASP 7 -7.561 10.225 5.414 54 HB3 ASP 7 HB1 ASP 7 -7.087 8.919 6.495 55 H GLU 8 H GLU 8 -4.453 12.092 7.088 56 HA GLU 8 HA GLU 8 -5.387 14.326 5.797 57 HB2 GLU 8 HB2 GLU 8 -2.661 13.964 7.057 58 HB3 GLU 8 HB1 GLU 8 -3.479 15.503 6.784 59 HG2 GLU 8 HG2 GLU 8 -5.264 14.816 8.321 60 HG3 GLU 8 HG1 GLU 8 -4.412 13.303 8.617 61 H GLU 9 H GLU 9 -2.158 12.884 5.269 62 HA GLU 9 HA GLU 9 -1.549 14.560 3.091 63 HB2 GLU 9 HB2 GLU 9 -0.034 13.003 4.590 64 HB3 GLU 9 HB1 GLU 9 -0.331 11.844 3.303 65 HG2 GLU 9 HG2 GLU 9 1.141 12.822 1.971 66 HG3 GLU 9 HG1 GLU 9 0.411 14.407 2.223 67 H TRP 10 H TRP 10 -3.312 11.561 3.322 68 HA TRP 10 HA TRP 10 -3.164 11.092 0.489 69 HB2 TRP 10 HB2 TRP 10 -3.283 9.224 2.176 70 HB3 TRP 10 HB1 TRP 10 -4.989 9.627 2.371 71 HD1 TRP 10 HD TRP 10 -6.639 8.930 0.439 72 HE1 TRP 10 HE1 TRP 10 -6.381 7.515 -1.687 73 HE3 TRP 10 HE3 TRP 10 -1.544 8.586 0.315 74 HZ2 TRP 10 HZ2 TRP 10 -4.288 6.387 -3.216 75 HZ3 TRP 10 HZ3 TRP 10 -0.491 7.321 -1.512 76 HH2 TRP 10 HH TRP 10 -1.836 6.245 -3.241 77 H VAL 11 H VAL 11 -5.407 12.803 2.539 78 HA VAL 11 HA VAL 11 -7.691 12.452 0.947 79 HB VAL 11 HB VAL 11 -8.286 13.410 2.973 80 HG11 VAL 11 1HG1 VAL 11 -5.935 15.249 2.648 81 HG12 VAL 11 2HG1 VAL 11 -6.189 14.009 3.876 82 HG13 VAL 11 3HG1 VAL 11 -7.168 15.475 3.885 83 HG21 VAL 11 3HG2 VAL 11 -8.843 15.875 2.481 84 HG22 VAL 11 1HG2 VAL 11 -9.540 14.633 1.438 85 HG23 VAL 11 2HG2 VAL 11 -8.136 15.559 0.892 86 H GLU 12 H GLU 12 -5.076 14.796 0.959 87 HA GLU 12 HA GLU 12 -6.076 16.324 -1.130 88 HB2 GLU 12 HB2 GLU 12 -4.055 16.775 0.459 89 HB3 GLU 12 HB1 GLU 12 -3.130 15.919 -0.766 90 HG2 GLU 12 HG2 GLU 12 -2.948 18.264 -1.166 91 HG3 GLU 12 HG1 GLU 12 -3.929 17.551 -2.445 92 H TYR 13 H TYR 13 -4.356 13.384 -0.923 93 HA TYR 13 HA TYR 13 -3.684 13.104 -3.694 94 HB2 TYR 13 HB2 TYR 13 -3.533 11.314 -1.296 95 HB3 TYR 13 HB1 TYR 13 -3.256 10.670 -2.911 96 HD1 TYR 13 HD1 TYR 13 -2.252 13.867 -1.256 97 HD2 TYR 13 HD2 TYR 13 -0.993 10.309 -3.218 98 HE1 TYR 13 HE1 TYR 13 0.078 14.650 -1.168 99 HE2 TYR 13 HE2 TYR 13 1.339 11.082 -3.133 100 HH TYR 13 HH TYR 13 2.624 12.873 -1.404 101 H LYS 14 H LYS 14 -6.320 12.050 -1.632 102 HA LYS 14 HA LYS 14 -7.464 10.014 -3.039 103 HB2 LYS 14 HB2 LYS 14 -8.755 12.300 -1.556 104 HB3 LYS 14 HB1 LYS 14 -9.692 10.976 -2.223 105 HG2 LYS 14 HG2 LYS 14 -8.393 9.399 -0.798 106 HG3 LYS 14 HG1 LYS 14 -7.578 10.795 -0.084 107 HD2 LYS 14 HD2 LYS 14 -10.156 11.547 0.192 108 HD3 LYS 14 HD1 LYS 14 -10.326 9.799 0.310 109 HE2 LYS 14 HE2 LYS 14 -8.930 11.704 2.122 110 HE3 LYS 14 HE1 LYS 14 -9.988 10.353 2.509 111 HZ1 LYS 14 HZ1 LYS 14 -7.869 9.668 3.147 112 HZ2 LYS 14 HZ2 LYS 14 -7.132 10.280 1.753 113 HZ3 LYS 14 HZ3 LYS 14 -8.111 8.902 1.658 114 H SER 15 H SER 15 -7.969 13.494 -3.650 115 HA SER 15 HA SER 15 -9.703 13.056 -5.872 116 HB2 SER 15 HB2 SER 15 -8.156 15.580 -5.449 117 HB3 SER 15 HB1 SER 15 -9.807 15.381 -6.037 118 HG SER 15 HG SER 15 -9.173 16.044 -3.653 119 H LYS 16 H LYS 16 -6.340 13.765 -5.301 120 HA LYS 16 HA LYS 16 -5.668 14.114 -7.993 121 HB2 LYS 16 HB2 LYS 16 -3.882 13.480 -5.656 122 HB3 LYS 16 HB1 LYS 16 -3.333 14.045 -7.228 123 HG2 LYS 16 HG2 LYS 16 -5.267 15.632 -5.580 124 HG3 LYS 16 HG1 LYS 16 -3.522 15.751 -5.339 125 HD2 LYS 16 HD2 LYS 16 -3.748 15.996 -8.056 126 HD3 LYS 16 HD1 LYS 16 -5.205 16.813 -7.487 127 HE2 LYS 16 HE2 LYS 16 -3.721 18.102 -5.906 128 HE3 LYS 16 HE1 LYS 16 -2.344 17.427 -6.778 129 HZ1 LYS 16 HZ1 LYS 16 -4.486 19.135 -7.926 130 HZ2 LYS 16 HZ2 LYS 16 -3.233 18.427 -8.818 131 HZ3 LYS 16 HZ3 LYS 16 -2.881 19.590 -7.641 132 H PHE 17 H PHE 17 -6.465 11.344 -6.341 133 HA PHE 17 HA PHE 17 -4.928 9.691 -8.245 134 HB2 PHE 17 HB2 PHE 17 -5.247 9.461 -5.335 135 HB3 PHE 17 HB1 PHE 17 -5.505 7.956 -6.206 136 HD1 PHE 17 HD1 PHE 17 -3.553 8.319 -8.435 137 HD2 PHE 17 HD2 PHE 17 -3.216 9.093 -4.263 138 HE1 PHE 17 HE1 PHE 17 -1.121 7.987 -8.574 139 HE2 PHE 17 HE2 PHE 17 -0.782 8.763 -4.396 140 HZ PHE 17 HZ PHE 17 0.269 8.210 -6.553 141 H ASP 18 H ASP 18 -7.999 10.679 -7.418 142 HA ASP 18 HA ASP 18 -10.063 10.038 -8.130 143 HB2 ASP 18 HB2 ASP 18 -8.649 7.851 -9.667 144 HB3 ASP 18 HB1 ASP 18 -10.290 8.431 -9.933 145 H LYS 19 H LYS 19 -8.280 8.491 -5.998 146 HA LYS 19 HA LYS 19 -10.334 6.458 -5.434 147 HB2 LYS 19 HB2 LYS 19 -7.367 6.260 -5.438 148 HB3 LYS 19 HB1 LYS 19 -8.205 5.465 -4.114 149 HG2 LYS 19 HG2 LYS 19 -9.656 4.416 -5.984 150 HG3 LYS 19 HG1 LYS 19 -8.323 4.887 -7.041 151 HD2 LYS 19 HD2 LYS 19 -7.855 3.329 -4.517 152 HD3 LYS 19 HD1 LYS 19 -8.280 2.528 -6.031 153 HE2 LYS 19 HE2 LYS 19 -6.070 2.504 -6.406 154 HE3 LYS 19 HE1 LYS 19 -6.282 4.202 -6.830 155 HZ1 LYS 19 HZ1 LYS 19 -5.773 3.412 -4.037 156 HZ2 LYS 19 HZ2 LYS 19 -5.482 4.896 -4.789 157 HZ3 LYS 19 HZ3 LYS 19 -4.490 3.569 -5.127 158 H ASN 20 H ASN 20 -11.457 7.920 -4.130 159 HA ASN 20 HA ASN 20 -10.044 9.146 -1.909 160 HB2 ASN 20 HB2 ASN 20 -11.612 10.494 -3.235 161 HB3 ASN 20 HB1 ASN 20 -12.925 9.417 -2.770 162 HD21 ASN 20 1HD2 ASN 20 -11.922 12.348 -2.245 163 HD22 ASN 20 2HD2 ASN 20 -12.284 12.555 -0.568 164 H TYR 21 H TYR 21 -9.749 7.995 -0.147 165 HA TYR 21 HA TYR 21 -12.077 6.722 1.071 166 HB2 TYR 21 HB2 TYR 21 -10.379 4.915 1.909 167 HB3 TYR 21 HB1 TYR 21 -11.124 4.749 0.322 168 HD1 TYR 21 HD2 TYR 21 -8.111 5.807 2.103 169 HD2 TYR 21 HD1 TYR 21 -9.767 4.703 -1.640 170 HE1 TYR 21 HE2 TYR 21 -5.877 5.649 1.171 171 HE2 TYR 21 HE1 TYR 21 -7.500 4.557 -2.599 172 HH TYR 21 HH TYR 21 -5.306 4.973 -2.231 173 H GLU 22 H GLU 22 -12.409 7.732 2.810 174 HA GLU 22 HA GLU 22 -10.571 9.417 4.143 175 HB2 GLU 22 HB2 GLU 22 -13.349 9.117 3.985 176 HB3 GLU 22 HB1 GLU 22 -12.946 8.916 5.684 177 HG2 GLU 22 HG2 GLU 22 -11.992 11.050 5.827 178 HG3 GLU 22 HG1 GLU 22 -11.901 11.217 4.074 179 H ALA 23 H ALA 23 -10.807 9.482 6.627 180 HA ALA 23 HA ALA 23 -9.020 7.862 7.799 181 HB1 ALA 23 HB1 ALA 23 -11.283 9.447 8.863 182 HB2 ALA 23 HB2 ALA 23 -9.545 9.637 9.104 183 HB3 ALA 23 HB3 ALA 23 -10.422 8.373 9.966 184 H GLU 24 H GLU 24 -12.529 7.123 7.666 185 HA GLU 24 HA GLU 24 -12.559 4.987 9.425 186 HB2 GLU 24 HB2 GLU 24 -14.112 5.493 6.896 187 HB3 GLU 24 HB1 GLU 24 -14.392 4.058 7.871 188 HG2 GLU 24 HG2 GLU 24 -14.442 6.705 9.215 189 HG3 GLU 24 HG1 GLU 24 -15.807 6.251 8.196 190 H GLU 25 H GLU 25 -12.082 4.782 5.895 191 HA GLU 25 HA GLU 25 -11.168 2.055 6.039 192 HB2 GLU 25 HB2 GLU 25 -12.001 3.862 3.992 193 HB3 GLU 25 HB1 GLU 25 -10.391 3.285 3.584 194 HG2 GLU 25 HG2 GLU 25 -11.285 0.948 4.002 195 HG3 GLU 25 HG1 GLU 25 -12.888 1.681 4.013 196 H ASP 26 H ASP 26 -9.805 5.240 5.805 197 HA ASP 26 HA ASP 26 -7.165 4.718 5.175 198 HB2 ASP 26 HB2 ASP 26 -8.591 6.874 6.614 199 HB3 ASP 26 HB1 ASP 26 -6.835 6.878 6.647 200 H LEU 27 H LEU 27 -8.789 4.369 8.258 201 HA LEU 27 HA LEU 27 -6.758 4.613 10.057 202 HB2 LEU 27 HB2 LEU 27 -9.297 3.853 10.156 203 HB3 LEU 27 HB1 LEU 27 -8.550 2.273 10.363 204 HG LEU 27 HG LEU 27 -7.366 4.297 12.075 205 HD11 LEU 27 1HD1 LEU 27 -9.825 5.010 11.855 206 HD12 LEU 27 2HD1 LEU 27 -9.153 4.816 13.473 207 HD13 LEU 27 3HD1 LEU 27 -10.177 3.555 12.787 208 HD21 LEU 27 3HD2 LEU 27 -7.393 2.595 13.665 209 HD22 LEU 27 1HD2 LEU 27 -7.209 1.736 12.136 210 HD23 LEU 27 2HD2 LEU 27 -8.784 1.801 12.927 211 H MET 28 H MET 28 -7.623 1.575 8.401 212 HA MET 28 HA MET 28 -5.289 0.209 9.334 213 HB2 MET 28 HB2 MET 28 -5.944 -1.583 7.843 214 HB3 MET 28 HB1 MET 28 -7.374 -0.977 8.669 215 HG2 MET 28 HG2 MET 28 -7.608 0.509 6.531 216 HG3 MET 28 HG1 MET 28 -6.588 -0.733 5.809 217 HE1 MET 28 HE1 MET 28 -9.904 -1.408 8.441 218 HE2 MET 28 HE2 MET 28 -10.876 -0.814 7.094 219 HE3 MET 28 HE3 MET 28 -9.572 0.179 7.746 220 H ARG 29 H ARG 29 -6.098 2.287 6.727 221 HA ARG 29 HA ARG 29 -3.940 1.619 5.008 222 HB2 ARG 29 HB2 ARG 29 -5.926 3.765 5.179 223 HB3 ARG 29 HB1 ARG 29 -4.566 4.018 4.129 224 HG2 ARG 29 HG2 ARG 29 -5.263 2.459 2.614 225 HG3 ARG 29 HG1 ARG 29 -6.068 1.475 3.848 226 HD2 ARG 29 HD2 ARG 29 -7.970 2.853 3.855 227 HD3 ARG 29 HD1 ARG 29 -7.122 4.173 3.053 228 HE ARG 29 HE ARG 29 -7.282 3.004 1.009 229 HH11 ARG 29 1HH1 ARG 29 -9.019 1.440 3.606 230 HH12 ARG 29 2HH1 ARG 29 -9.855 0.351 2.554 231 HH21 ARG 29 1HH2 ARG 29 -8.346 1.527 -0.367 232 HH22 ARG 29 2HH2 ARG 29 -9.473 0.399 0.304 233 H ARG 30 H ARG 30 -4.421 3.833 7.677 234 HA ARG 30 HA ARG 30 -2.372 5.651 7.287 235 HB2 ARG 30 HB2 ARG 30 -3.045 4.398 9.957 236 HB3 ARG 30 HB1 ARG 30 -2.355 5.991 9.671 237 HG2 ARG 30 HG2 ARG 30 -4.616 6.249 8.276 238 HG3 ARG 30 HG1 ARG 30 -5.145 5.066 9.471 239 HD2 ARG 30 HD2 ARG 30 -4.445 6.533 11.273 240 HD3 ARG 30 HD1 ARG 30 -3.829 7.702 10.106 241 HE ARG 30 HE ARG 30 -6.418 7.463 9.397 242 HH11 ARG 30 1HH1 ARG 30 -4.859 8.073 12.459 243 HH12 ARG 30 2HH1 ARG 30 -6.174 9.010 13.084 244 HH21 ARG 30 1HH2 ARG 30 -8.148 8.696 10.216 245 HH22 ARG 30 2HH2 ARG 30 -8.041 9.364 11.810 246 H ARG 31 H ARG 31 -2.343 2.331 8.320 247 HA ARG 31 HA ARG 31 0.403 2.224 9.082 248 HB2 ARG 31 HB2 ARG 31 -1.130 -0.173 8.133 249 HB3 ARG 31 HB1 ARG 31 0.091 -0.068 9.393 250 HG2 ARG 31 HG2 ARG 31 -2.072 1.569 10.188 251 HG3 ARG 31 HG1 ARG 31 -2.743 0.038 9.627 252 HD2 ARG 31 HD2 ARG 31 -0.526 0.329 11.652 253 HD3 ARG 31 HD1 ARG 31 -2.219 0.025 12.038 254 HE ARG 31 HE ARG 31 -0.292 -1.886 11.178 255 HH11 ARG 31 1HH1 ARG 31 -3.685 -1.084 11.017 256 HH12 ARG 31 2HH1 ARG 31 -4.188 -2.724 10.777 257 HH21 ARG 31 1HH2 ARG 31 -0.953 -4.043 10.863 258 HH22 ARG 31 2HH2 ARG 31 -2.639 -4.404 10.690 259 H ILE 32 H ILE 32 -1.373 1.741 6.039 260 HA ILE 32 HA ILE 32 1.003 0.721 4.704 261 HB ILE 32 HB ILE 32 -0.662 -0.238 3.588 262 HG12 ILE 32 2HG1 ILE 32 -1.331 0.904 1.555 263 HG13 ILE 32 1HG1 ILE 32 -0.757 2.420 2.258 264 HG21 ILE 32 1HG2 ILE 32 -2.417 2.055 4.197 265 HG22 ILE 32 2HG2 ILE 32 -2.418 0.477 4.979 266 HG23 ILE 32 3HG2 ILE 32 -2.901 0.632 3.290 267 HD11 ILE 32 3HD1 ILE 32 1.279 1.981 1.555 268 HD12 ILE 32 1HD1 ILE 32 0.603 0.555 0.796 269 HD13 ILE 32 2HD1 ILE 32 1.273 0.443 2.411 270 H TYR 33 H TYR 33 -0.707 3.642 5.113 271 HA TYR 33 HA TYR 33 0.626 5.105 3.187 272 HB2 TYR 33 HB2 TYR 33 -1.447 5.747 4.657 273 HB3 TYR 33 HB1 TYR 33 -0.213 6.453 5.699 274 HD1 TYR 33 HD2 TYR 33 1.172 6.636 2.568 275 HD2 TYR 33 HD1 TYR 33 -1.950 8.400 4.862 276 HE1 TYR 33 HE2 TYR 33 1.202 8.597 1.095 277 HE2 TYR 33 HE1 TYR 33 -1.892 10.380 3.419 278 HH TYR 33 HH TYR 33 0.596 11.010 1.234 279 H ALA 34 H ALA 34 1.496 4.152 6.407 280 HA ALA 34 HA ALA 34 3.495 5.965 6.976 281 HB1 ALA 34 HB1 ALA 34 4.225 3.335 7.889 282 HB2 ALA 34 HB2 ALA 34 2.511 3.658 8.151 283 HB3 ALA 34 HB3 ALA 34 3.725 4.748 8.819 284 H GLU 35 H GLU 35 3.810 2.874 5.351 285 HA GLU 35 HA GLU 35 6.570 2.978 4.878 286 HB2 GLU 35 HB2 GLU 35 5.957 1.476 2.889 287 HB3 GLU 35 HB1 GLU 35 5.542 0.911 4.506 288 HG2 GLU 35 HG2 GLU 35 3.372 2.470 3.619 289 HG3 GLU 35 HG1 GLU 35 3.839 1.400 2.272 290 H SER 36 H SER 36 3.881 4.470 3.187 291 HA SER 36 HA SER 36 4.927 4.974 0.711 292 HB2 SER 36 HB2 SER 36 3.177 6.389 0.434 293 HB3 SER 36 HB1 SER 36 2.678 5.759 2.002 294 HG SER 36 HG SER 36 2.947 7.680 2.786 295 H LYS 37 H LYS 37 5.312 7.145 3.545 296 HA LYS 37 HA LYS 37 7.031 8.963 2.289 297 HB2 LYS 37 HB2 LYS 37 6.477 8.170 5.057 298 HB3 LYS 37 HB1 LYS 37 7.964 9.051 4.798 299 HG2 LYS 37 HG2 LYS 37 5.929 10.422 5.428 300 HG3 LYS 37 HG1 LYS 37 6.831 10.950 4.009 301 HD2 LYS 37 HD2 LYS 37 5.101 9.433 2.737 302 HD3 LYS 37 HD1 LYS 37 4.133 9.689 4.187 303 HE2 LYS 37 HE2 LYS 37 4.446 12.139 3.887 304 HE3 LYS 37 HE1 LYS 37 5.259 11.803 2.358 305 HZ1 LYS 37 HZ1 LYS 37 2.423 11.536 3.054 306 HZ2 LYS 37 HZ2 LYS 37 3.067 10.488 1.892 307 HZ3 LYS 37 HZ3 LYS 37 3.134 12.161 1.652 308 H ALA 38 H ALA 38 7.676 5.925 3.990 309 HA ALA 38 HA ALA 38 10.461 5.932 3.947 310 HB1 ALA 38 HB1 ALA 38 10.334 3.740 4.534 311 HB2 ALA 38 HB2 ALA 38 9.155 3.374 3.274 312 HB3 ALA 38 HB3 ALA 38 8.632 4.140 4.774 313 H ARG 39 H ARG 39 8.092 5.090 1.594 314 HA ARG 39 HA ARG 39 9.871 4.359 -0.500 315 HB2 ARG 39 HB2 ARG 39 7.050 5.309 -0.792 316 HB3 ARG 39 HB1 ARG 39 7.915 4.159 -1.810 317 HG2 ARG 39 HG2 ARG 39 7.816 3.280 0.947 318 HG3 ARG 39 HG1 ARG 39 6.194 3.560 0.290 319 HD2 ARG 39 HD2 ARG 39 7.509 2.227 -1.750 320 HD3 ARG 39 HD1 ARG 39 8.098 1.438 -0.287 321 HE ARG 39 HE ARG 39 5.390 1.576 0.047 322 HH11 ARG 39 1HH1 ARG 39 7.507 0.248 -2.391 323 HH12 ARG 39 2HH1 ARG 39 6.407 -1.013 -2.836 324 HH21 ARG 39 1HH2 ARG 39 3.943 -0.084 -0.539 325 HH22 ARG 39 2HH2 ARG 39 4.385 -1.201 -1.786 326 H ILE 40 H ILE 40 8.312 7.300 0.630 327 HA ILE 40 HA ILE 40 8.866 8.820 -1.709 328 HB ILE 40 HB ILE 40 8.297 9.648 1.129 329 HG12 ILE 40 2HG1 ILE 40 6.219 9.048 0.545 330 HG13 ILE 40 1HG1 ILE 40 6.220 10.362 -0.618 331 HG21 ILE 40 1HG2 ILE 40 8.081 11.883 0.455 332 HG22 ILE 40 2HG2 ILE 40 8.116 11.464 -1.257 333 HG23 ILE 40 3HG2 ILE 40 9.587 11.350 -0.290 334 HD11 ILE 40 3HD1 ILE 40 5.584 7.980 -1.391 335 HD12 ILE 40 1HD1 ILE 40 7.327 7.656 -1.377 336 HD13 ILE 40 2HD1 ILE 40 6.661 8.942 -2.399 337 H GLU 41 H GLU 41 10.555 7.932 1.110 338 HA GLU 41 HA GLU 41 12.846 9.631 0.779 339 HB2 GLU 41 HB2 GLU 41 12.069 7.351 2.510 340 HB3 GLU 41 HB1 GLU 41 13.792 7.524 2.206 341 HG2 GLU 41 HG2 GLU 41 13.250 8.669 4.228 342 HG3 GLU 41 HG1 GLU 41 13.650 9.865 2.996 343 H GLU 42 H GLU 42 11.648 6.721 -0.506 344 HA GLU 42 HA GLU 42 13.715 5.151 -1.305 345 HB2 GLU 42 HB2 GLU 42 11.291 4.686 -1.571 346 HB3 GLU 42 HB1 GLU 42 11.207 5.950 -2.766 347 HG2 GLU 42 HG2 GLU 42 11.662 4.613 -4.395 348 HG3 GLU 42 HG1 GLU 42 13.175 4.101 -3.621 349 H HIS 43 H HIS 43 12.096 7.344 -3.600 350 HA HIS 43 HA HIS 43 14.307 7.167 -5.424 351 HB2 HIS 43 HB2 HIS 43 11.642 8.517 -5.464 352 HB3 HIS 43 HB1 HIS 43 12.816 8.784 -6.745 353 HD1 HIS 43 HD1 HIS 43 13.512 6.602 -8.131 354 HD2 HIS 43 HD2 HIS 43 10.174 6.215 -5.688 355 HE1 HIS 43 HE1 HIS 43 12.330 4.532 -8.931 356 HE2 HIS 43 HE2 HIS 43 10.361 4.269 -7.380 357 H ASN 44 H ASN 44 13.084 9.480 -3.150 358 HA ASN 44 HA ASN 44 14.388 11.733 -4.174 359 HB2 ASN 44 HB2 ASN 44 12.861 11.041 -1.826 360 HB3 ASN 44 HB1 ASN 44 14.164 12.174 -1.451 361 HD21 ASN 44 1HD2 ASN 44 14.107 14.209 -2.253 362 HD22 ASN 44 2HD2 ASN 44 12.740 14.876 -3.078 363 H ARG 45 H ARG 45 15.486 9.134 -2.169 364 HA ARG 45 HA ARG 45 17.967 10.489 -1.488 365 HB2 ARG 45 HB2 ARG 45 16.649 7.923 -0.749 366 HB3 ARG 45 HB1 ARG 45 18.399 8.030 -0.587 367 HG2 ARG 45 HG2 ARG 45 16.457 9.958 0.670 368 HG3 ARG 45 HG1 ARG 45 17.150 8.557 1.491 369 HD2 ARG 45 HD2 ARG 45 18.670 10.896 0.343 370 HD3 ARG 45 HD1 ARG 45 18.391 10.569 2.053 371 HE ARG 45 HE ARG 45 20.389 9.398 0.384 372 HH11 ARG 45 1HH1 ARG 45 18.349 8.814 3.155 373 HH12 ARG 45 2HH1 ARG 45 19.414 7.637 3.846 374 HH21 ARG 45 1HH2 ARG 45 21.789 7.849 1.292 375 HH22 ARG 45 2HH2 ARG 45 21.366 7.089 2.790 376 H LYS 46 H LYS 46 16.714 8.524 -3.933 377 HA LYS 46 HA LYS 46 18.950 7.008 -4.731 378 HB2 LYS 46 HB2 LYS 46 16.267 7.480 -5.420 379 HB3 LYS 46 HB1 LYS 46 17.203 7.591 -6.886 380 HG2 LYS 46 HG2 LYS 46 18.043 5.384 -6.649 381 HG3 LYS 46 HG1 LYS 46 17.416 5.267 -5.002 382 HD2 LYS 46 HD2 LYS 46 15.315 5.914 -6.883 383 HD3 LYS 46 HD1 LYS 46 16.156 4.433 -7.347 384 HE2 LYS 46 HE2 LYS 46 15.572 4.595 -4.491 385 HE3 LYS 46 HE1 LYS 46 14.130 4.619 -5.504 386 HZ1 LYS 46 HZ1 LYS 46 14.524 2.525 -6.278 387 HZ2 LYS 46 HZ2 LYS 46 15.194 2.377 -4.732 388 HZ3 LYS 46 HZ3 LYS 46 16.200 2.623 -6.069 389 H PHE 47 H PHE 47 17.586 9.907 -6.382 390 HA PHE 47 HA PHE 47 19.846 10.206 -8.100 391 HB2 PHE 47 HB2 PHE 47 18.971 12.454 -8.581 392 HB3 PHE 47 HB1 PHE 47 17.717 11.235 -8.771 393 HD1 PHE 47 HD1 PHE 47 18.860 14.098 -6.807 394 HD2 PHE 47 HD2 PHE 47 15.889 11.110 -7.283 395 HE1 PHE 47 HE1 PHE 47 17.360 15.373 -5.327 396 HE2 PHE 47 HE2 PHE 47 14.366 12.376 -5.816 397 HZ PHE 47 HZ PHE 47 15.106 14.510 -4.829 398 H GLU 48 H GLU 48 18.678 11.177 -5.105 399 HA GLU 48 HA GLU 48 20.387 13.129 -4.258 400 HB2 GLU 48 HB2 GLU 48 18.467 11.276 -3.254 401 HB3 GLU 48 HB1 GLU 48 19.885 11.223 -2.183 402 HG2 GLU 48 HG2 GLU 48 18.565 13.808 -2.964 403 HG3 GLU 48 HG1 GLU 48 18.054 12.863 -1.567 404 H LYS 49 H LYS 49 20.956 9.938 -5.221 405 HA LYS 49 HA LYS 49 23.495 9.671 -3.824 406 HB2 LYS 49 HB2 LYS 49 21.516 7.852 -4.253 407 HB3 LYS 49 HB1 LYS 49 22.629 7.491 -5.566 408 HG2 LYS 49 HG2 LYS 49 24.417 7.538 -3.655 409 HG3 LYS 49 HG1 LYS 49 23.015 7.239 -2.626 410 HD2 LYS 49 HD2 LYS 49 22.974 5.530 -4.953 411 HD3 LYS 49 HD1 LYS 49 24.490 5.353 -4.066 412 HE2 LYS 49 HE2 LYS 49 21.931 5.371 -2.543 413 HE3 LYS 49 HE1 LYS 49 22.365 3.923 -3.449 414 HZ1 LYS 49 HZ1 LYS 49 23.138 4.312 -0.970 415 HZ2 LYS 49 HZ2 LYS 49 24.421 5.098 -1.743 416 HZ3 LYS 49 HZ3 LYS 49 24.098 3.474 -2.084 417 H GLY 50 H GLY 50 22.783 11.403 -6.299 418 HA2 GLY 50 HA2 GLY 50 23.755 11.911 -8.344 419 HA3 GLY 50 HA1 GLY 50 25.236 11.270 -7.627 420 H GLU 51 H GLU 51 22.327 9.506 -7.947 421 HA GLU 51 HA GLU 51 23.617 7.420 -9.461 422 HB2 GLU 51 HB2 GLU 51 21.701 7.673 -7.380 423 HB3 GLU 51 HB1 GLU 51 20.866 6.936 -8.765 424 HG2 GLU 51 HG2 GLU 51 23.497 5.777 -8.211 425 HG3 GLU 51 HG1 GLU 51 22.325 5.581 -6.908 426 H VAL 52 H VAL 52 20.453 9.029 -9.630 427 HA VAL 52 HA VAL 52 20.533 9.367 -12.486 428 HB VAL 52 HB VAL 52 19.192 7.650 -13.078 429 HG11 VAL 52 1HG1 VAL 52 19.208 6.833 -10.203 430 HG12 VAL 52 2HG1 VAL 52 20.441 6.390 -11.389 431 HG13 VAL 52 3HG1 VAL 52 18.789 5.789 -11.562 432 HG21 VAL 52 3HG2 VAL 52 17.000 7.221 -11.784 433 HG22 VAL 52 1HG2 VAL 52 17.178 8.697 -12.725 434 HG23 VAL 52 2HG2 VAL 52 17.383 8.743 -10.969 435 H THR 53 H THR 53 18.169 10.308 -12.993 436 HA THR 53 HA THR 53 17.506 11.809 -10.562 437 HB THR 53 HB THR 53 18.407 13.091 -12.453 438 HG1 THR 53 HG1 THR 53 16.848 13.928 -10.867 439 HG21 THR 53 3HG2 THR 53 17.542 13.161 -14.511 440 HG22 THR 53 1HG2 THR 53 15.880 13.141 -13.922 441 HG23 THR 53 2HG2 THR 53 16.778 11.632 -14.075 442 H TRP 54 H TRP 54 16.192 10.401 -9.732 443 HA TRP 54 HA TRP 54 13.557 10.086 -10.968 444 HB2 TRP 54 HB2 TRP 54 13.495 7.730 -9.906 445 HB3 TRP 54 HB1 TRP 54 14.337 7.940 -11.432 446 HD1 TRP 54 HD TRP 54 16.533 9.209 -8.744 447 HE1 TRP 54 HE1 TRP 54 18.333 7.470 -8.156 448 HE3 TRP 54 HE3 TRP 54 14.493 5.140 -11.069 449 HZ2 TRP 54 HZ2 TRP 54 18.798 4.716 -8.589 450 HZ3 TRP 54 HZ3 TRP 54 15.673 2.987 -10.923 451 HH2 TRP 54 HH TRP 54 17.781 2.780 -9.709 452 H LYS 55 H LYS 55 11.970 10.660 -9.638 453 HA LYS 55 HA LYS 55 12.556 10.777 -6.761 454 HB2 LYS 55 HB2 LYS 55 10.299 12.322 -7.052 455 HB3 LYS 55 HB1 LYS 55 11.953 12.902 -6.816 456 HG2 LYS 55 HG2 LYS 55 12.185 12.742 -9.339 457 HG3 LYS 55 HG1 LYS 55 10.421 12.684 -9.372 458 HD2 LYS 55 HD2 LYS 55 10.827 14.956 -9.584 459 HD3 LYS 55 HD1 LYS 55 10.606 14.789 -7.841 460 HE2 LYS 55 HE2 LYS 55 12.829 15.117 -7.389 461 HE3 LYS 55 HE1 LYS 55 13.350 14.492 -8.953 462 HZ1 LYS 55 HZ1 LYS 55 11.810 16.977 -8.934 463 HZ2 LYS 55 HZ2 LYS 55 13.073 16.495 -9.951 464 HZ3 LYS 55 HZ3 LYS 55 13.411 17.049 -8.389 465 H MET 56 H MET 56 10.897 10.530 -5.341 466 HA MET 56 HA MET 56 9.445 8.127 -5.638 467 HB2 MET 56 HB2 MET 56 8.147 9.385 -3.637 468 HB3 MET 56 HB1 MET 56 9.683 8.563 -3.408 469 HG2 MET 56 HG2 MET 56 9.586 10.770 -2.350 470 HG3 MET 56 HG1 MET 56 10.836 10.683 -3.585 471 HE1 MET 56 HE1 MET 56 7.224 11.173 -3.033 472 HE2 MET 56 HE2 MET 56 6.772 11.595 -4.685 473 HE3 MET 56 HE3 MET 56 6.920 12.856 -3.462 474 H GLY 57 H GLY 57 6.874 8.230 -5.111 475 HA2 GLY 57 HA2 GLY 57 5.568 10.514 -6.295 476 HA3 GLY 57 HA1 GLY 57 5.461 9.039 -7.243 477 H ILE 58 H ILE 58 5.599 8.222 -3.985 478 HA ILE 58 HA ILE 58 4.041 7.423 -2.510 479 HB ILE 58 HB ILE 58 2.425 9.550 -3.846 480 HG12 ILE 58 2HG1 ILE 58 4.589 10.106 -2.501 481 HG13 ILE 58 1HG1 ILE 58 3.141 11.070 -2.232 482 HG21 ILE 58 1HG2 ILE 58 1.230 9.373 -1.460 483 HG22 ILE 58 2HG2 ILE 58 1.765 7.701 -1.632 484 HG23 ILE 58 3HG2 ILE 58 0.718 8.421 -2.855 485 HD11 ILE 58 3HD1 ILE 58 4.302 10.478 -0.151 486 HD12 ILE 58 1HD1 ILE 58 4.027 8.770 -0.498 487 HD13 ILE 58 2HD1 ILE 58 2.657 9.845 -0.211 488 H ASN 59 H ASN 59 3.779 5.388 -3.467 489 HA ASN 59 HA ASN 59 2.336 5.119 -5.806 490 HB2 ASN 59 HB2 ASN 59 3.129 3.103 -3.712 491 HB3 ASN 59 HB1 ASN 59 2.209 2.629 -5.137 492 HD21 ASN 59 1HD2 ASN 59 3.202 2.536 -7.102 493 HD22 ASN 59 2HD2 ASN 59 4.906 2.727 -7.317 494 H HIS 60 H HIS 60 0.285 4.016 -6.165 495 HA HIS 60 HA HIS 60 -1.864 5.188 -4.888 496 HB2 HIS 60 HB2 HIS 60 -1.456 3.145 -6.888 497 HB3 HIS 60 HB1 HIS 60 -2.809 2.717 -5.849 498 HD1 HIS 60 HD1 HIS 60 -2.851 3.712 -8.926 499 HD2 HIS 60 HD2 HIS 60 -3.926 5.880 -5.549 500 HE1 HIS 60 HE1 HIS 60 -4.427 5.491 -9.744 501 HE2 HIS 60 HE2 HIS 60 -5.164 6.706 -7.666 502 H LEU 61 H LEU 61 -0.807 1.784 -4.478 503 HA LEU 61 HA LEU 61 -2.589 1.432 -2.307 504 HB2 LEU 61 HB2 LEU 61 -1.660 -0.681 -1.919 505 HB3 LEU 61 HB1 LEU 61 -1.764 -0.473 -3.656 506 HG LEU 61 HG LEU 61 0.289 -1.605 -2.536 507 HD11 LEU 61 1HD1 LEU 61 1.319 -1.413 -4.528 508 HD12 LEU 61 2HD1 LEU 61 1.229 0.349 -4.525 509 HD13 LEU 61 3HD1 LEU 61 -0.181 -0.605 -4.984 510 HD21 LEU 61 3HD2 LEU 61 2.139 -0.245 -1.986 511 HD22 LEU 61 1HD2 LEU 61 0.777 0.302 -1.009 512 HD23 LEU 61 2HD2 LEU 61 1.281 1.224 -2.434 513 H ALA 62 H ALA 62 0.255 3.216 -2.417 514 HA ALA 62 HA ALA 62 1.442 2.385 -0.041 515 HB1 ALA 62 HB1 ALA 62 2.578 4.400 0.154 516 HB2 ALA 62 HB2 ALA 62 1.466 5.233 -0.956 517 HB3 ALA 62 HB3 ALA 62 2.546 3.970 -1.565 518 H ASP 63 H ASP 63 -1.619 3.335 -0.368 519 HA ASP 63 HA ASP 63 -1.692 4.337 2.366 520 HB2 ASP 63 HB2 ASP 63 -2.448 5.817 0.334 521 HB3 ASP 63 HB1 ASP 63 -3.891 4.829 0.380 522 H LEU 64 H LEU 64 -2.743 2.203 -0.113 523 HA LEU 64 HA LEU 64 -4.019 0.618 1.976 524 HB2 LEU 64 HB2 LEU 64 -5.710 -0.056 0.388 525 HB3 LEU 64 HB1 LEU 64 -5.831 1.644 0.803 526 HG LEU 64 HG LEU 64 -4.224 1.779 -1.357 527 HD11 LEU 64 1HD1 LEU 64 -4.138 -0.194 -2.280 528 HD12 LEU 64 2HD1 LEU 64 -5.682 0.280 -3.001 529 HD13 LEU 64 3HD1 LEU 64 -5.654 -0.756 -1.570 530 HD21 LEU 64 3HD2 LEU 64 -5.874 3.061 -2.145 531 HD22 LEU 64 1HD2 LEU 64 -6.761 2.616 -0.692 532 HD23 LEU 64 2HD2 LEU 64 -7.014 1.716 -2.184 533 H THR 65 H THR 65 -2.364 -0.686 2.043 534 HA THR 65 HA THR 65 -1.653 -2.222 -0.352 535 HB THR 65 HB THR 65 0.063 -3.095 1.660 536 HG1 THR 65 HG1 THR 65 0.709 -1.430 2.805 537 HG21 THR 65 3HG2 THR 65 1.449 -2.710 0.001 538 HG22 THR 65 1HG2 THR 65 1.440 -1.006 0.448 539 HG23 THR 65 2HG2 THR 65 0.307 -1.609 -0.756 540 HA PRO 66 HA PRO 66 -3.051 -6.325 1.094 541 HB2 PRO 66 HB2 PRO 66 -0.942 -7.128 2.808 542 HB3 PRO 66 HB1 PRO 66 -1.125 -7.562 1.102 543 HG2 PRO 66 HG2 PRO 66 0.316 -5.213 2.310 544 HG3 PRO 66 HG1 PRO 66 0.916 -6.355 1.064 545 HD2 PRO 66 HD2 PRO 66 0.068 -4.087 0.197 546 HD3 PRO 66 HD1 PRO 66 -0.744 -5.505 -0.507 547 H GLU 67 H GLU 67 -1.524 -4.099 3.352 548 HA GLU 67 HA GLU 67 -2.577 -4.949 5.810 549 HB2 GLU 67 HB2 GLU 67 -2.682 -2.019 5.235 550 HB3 GLU 67 HB1 GLU 67 -1.893 -2.863 6.587 551 HG2 GLU 67 HG2 GLU 67 -0.884 -2.281 3.831 552 HG3 GLU 67 HG1 GLU 67 -0.200 -1.790 5.382 553 H GLU 68 H GLU 68 -3.598 -2.565 3.540 554 HA GLU 68 HA GLU 68 -6.272 -2.265 4.564 555 HB2 GLU 68 HB2 GLU 68 -5.091 -0.373 3.623 556 HB3 GLU 68 HB1 GLU 68 -4.901 -1.220 2.094 557 HG2 GLU 68 HG2 GLU 68 -7.622 -0.709 3.212 558 HG3 GLU 68 HG1 GLU 68 -6.751 0.529 2.303 559 H PHE 69 H PHE 69 -4.766 -3.463 1.649 560 HA PHE 69 HA PHE 69 -6.910 -4.250 0.152 561 HB2 PHE 69 HB2 PHE 69 -4.048 -4.937 0.337 562 HB3 PHE 69 HB1 PHE 69 -5.039 -6.127 -0.492 563 HD1 PHE 69 HD1 PHE 69 -6.526 -5.275 -2.385 564 HD2 PHE 69 HD2 PHE 69 -3.223 -3.027 -0.822 565 HE1 PHE 69 HE1 PHE 69 -6.421 -3.971 -4.466 566 HE2 PHE 69 HE2 PHE 69 -3.139 -1.745 -2.912 567 HZ PHE 69 HZ PHE 69 -4.728 -2.206 -4.730 568 H ALA 70 H ALA 70 -5.113 -6.244 2.495 569 HA ALA 70 HA ALA 70 -6.932 -8.455 2.174 570 HB1 ALA 70 HB1 ALA 70 -5.069 -8.465 4.454 571 HB2 ALA 70 HB2 ALA 70 -4.335 -8.334 2.856 572 HB3 ALA 70 HB3 ALA 70 -5.385 -9.699 3.235 573 H GLN 71 H GLN 71 -6.640 -5.738 4.323 574 HA GLN 71 HA GLN 71 -8.480 -6.952 6.242 575 HB2 GLN 71 HB2 GLN 71 -6.370 -5.643 6.895 576 HB3 GLN 71 HB1 GLN 71 -7.288 -4.204 6.473 577 HG2 GLN 71 HG2 GLN 71 -7.468 -4.514 8.817 578 HG3 GLN 71 HG1 GLN 71 -9.028 -4.925 8.105 579 HE21 GLN 71 1HE2 GLN 71 -9.637 -6.209 9.824 580 HE22 GLN 71 2HE2 GLN 71 -8.923 -7.750 10.137 581 H ARG 72 H ARG 72 -8.717 -5.109 3.464 582 HA ARG 72 HA ARG 72 -10.989 -3.535 4.354 583 HB2 ARG 72 HB2 ARG 72 -10.996 -2.558 2.153 584 HB3 ARG 72 HB1 ARG 72 -9.345 -2.575 2.750 585 HG2 ARG 72 HG2 ARG 72 -8.749 -3.538 0.846 586 HG3 ARG 72 HG1 ARG 72 -9.629 -4.975 1.362 587 HD2 ARG 72 HD2 ARG 72 -11.610 -4.255 0.241 588 HD3 ARG 72 HD1 ARG 72 -10.912 -2.670 -0.091 589 HE ARG 72 HE ARG 72 -10.458 -5.116 -1.551 590 HH11 ARG 72 1HH1 ARG 72 -9.249 -1.921 -0.830 591 HH12 ARG 72 2HH1 ARG 72 -8.311 -1.814 -2.281 592 HH21 ARG 72 1HH2 ARG 72 -9.224 -4.975 -3.459 593 HH22 ARG 72 2HH2 ARG 72 -8.296 -3.546 -3.774 594 H SER 73 H SER 73 -10.219 -6.387 2.514 595 HA SER 73 HA SER 73 -12.550 -7.719 2.934 596 HB2 SER 73 HB2 SER 73 -12.772 -5.803 0.681 597 HB3 SER 73 HB1 SER 73 -13.407 -7.421 0.394 598 HG SER 73 HG SER 73 -14.610 -7.128 2.387 599 H GLY 74 H GLY 74 -10.164 -8.688 2.960 600 HA2 GLY 74 HA2 GLY 74 -9.922 -10.250 0.463 601 HA3 GLY 74 HA1 GLY 74 -8.510 -9.650 1.321 602 H LYS 75 H LYS 75 -9.294 -10.197 3.950 603 HA LYS 75 HA LYS 75 -9.228 -11.848 5.511 604 HB2 LYS 75 HB2 LYS 75 -10.954 -13.053 3.387 605 HB3 LYS 75 HB1 LYS 75 -10.427 -14.058 4.729 606 HG2 LYS 75 HG2 LYS 75 -11.320 -11.961 6.111 607 HG3 LYS 75 HG1 LYS 75 -12.338 -11.807 4.677 608 HD2 LYS 75 HD2 LYS 75 -12.714 -14.375 5.052 609 HD3 LYS 75 HD1 LYS 75 -12.219 -13.996 6.704 610 HE2 LYS 75 HE2 LYS 75 -14.486 -12.719 5.178 611 HE3 LYS 75 HE1 LYS 75 -14.641 -13.896 6.481 612 HZ1 LYS 75 HZ1 LYS 75 -13.181 -12.046 7.689 613 HZ2 LYS 75 HZ2 LYS 75 -14.872 -12.033 7.703 614 HZ3 LYS 75 HZ3 LYS 75 -14.029 -11.057 6.609 615 H LYS 76 H LYS 76 -7.347 -12.733 6.009 616 HA LYS 76 HA LYS 76 -6.350 -15.071 4.814 617 HB2 LYS 76 HB2 LYS 76 -5.826 -13.162 3.095 618 HB3 LYS 76 HB1 LYS 76 -4.526 -12.772 4.213 619 HG2 LYS 76 HG2 LYS 76 -3.617 -15.011 3.969 620 HG3 LYS 76 HG1 LYS 76 -4.944 -15.445 2.889 621 HD2 LYS 76 HD2 LYS 76 -3.313 -13.055 2.208 622 HD3 LYS 76 HD1 LYS 76 -2.589 -14.646 1.968 623 HE2 LYS 76 HE2 LYS 76 -5.342 -14.344 0.973 624 HE3 LYS 76 HE1 LYS 76 -4.129 -13.376 0.138 625 HZ1 LYS 76 HZ1 LYS 76 -4.365 -16.300 0.321 626 HZ2 LYS 76 HZ2 LYS 76 -2.837 -15.610 0.101 627 HZ3 LYS 76 HZ3 LYS 76 -4.061 -15.330 -1.032 628 H VAL 77 H VAL 77 -4.763 -16.002 6.056 629 HA VAL 77 HA VAL 77 -4.334 -14.854 8.643 630 HB VAL 77 HB VAL 77 -2.984 -16.885 9.086 631 HG11 VAL 77 1HG1 VAL 77 -5.665 -16.665 8.909 632 HG12 VAL 77 2HG1 VAL 77 -4.834 -18.118 9.465 633 HG13 VAL 77 3HG1 VAL 77 -5.383 -18.002 7.793 634 HG21 VAL 77 3HG2 VAL 77 -2.765 -18.617 7.432 635 HG22 VAL 77 1HG2 VAL 77 -2.104 -17.120 6.775 636 HG23 VAL 77 2HG2 VAL 77 -3.698 -17.680 6.266 637 HA PRO 78 HA PRO 78 -0.630 -12.539 7.861 638 HB2 PRO 78 HB2 PRO 78 0.141 -13.431 10.593 639 HB3 PRO 78 HB1 PRO 78 0.050 -11.797 9.926 640 HG2 PRO 78 HG2 PRO 78 -1.808 -12.683 11.614 641 HG3 PRO 78 HG1 PRO 78 -2.241 -11.654 10.236 642 HD2 PRO 78 HD2 PRO 78 -2.585 -14.601 10.584 643 HD3 PRO 78 HD1 PRO 78 -3.649 -13.424 9.786 644 HA PRO 79 HA PRO 79 2.627 -15.328 6.824 645 HB2 PRO 79 HB2 PRO 79 4.888 -14.003 7.577 646 HB3 PRO 79 HB1 PRO 79 3.934 -13.566 6.156 647 HG2 PRO 79 HG2 PRO 79 3.930 -12.344 8.889 648 HG3 PRO 79 HG1 PRO 79 3.891 -11.547 7.305 649 HD2 PRO 79 HD2 PRO 79 1.673 -11.872 8.805 650 HD3 PRO 79 HD1 PRO 79 1.628 -11.922 7.032 651 H ASN 80 H ASN 80 2.589 -14.110 10.108 652 HA ASN 80 HA ASN 80 4.093 -16.479 10.998 653 HB2 ASN 80 HB2 ASN 80 4.448 -15.207 13.114 654 HB3 ASN 80 HB1 ASN 80 5.149 -14.421 11.702 655 HD21 ASN 80 1HD2 ASN 80 3.138 -14.068 14.363 656 HD22 ASN 80 2HD2 ASN 80 2.455 -12.532 13.965 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -0.011 9.922 16.554 2 H2 MET 1 HT2 MET 1 0.164 10.243 14.876 3 H3 MET 1 HT3 MET 1 0.588 11.440 16.031 4 HA MET 1 HA MET 1 2.434 10.167 14.958 5 HB2 MET 1 HB2 MET 1 3.687 10.187 17.052 6 HB3 MET 1 HB1 MET 1 2.628 11.588 16.962 7 HG2 MET 1 HG2 MET 1 0.992 9.999 18.283 8 HG3 MET 1 HG1 MET 1 2.504 9.222 18.747 9 HE1 MET 1 HE1 MET 1 0.859 9.896 20.769 10 HE2 MET 1 HE2 MET 1 1.083 11.382 21.693 11 HE3 MET 1 HE3 MET 1 2.347 10.153 21.679 12 H MET 2 H MET 2 0.196 8.252 15.009 13 HA MET 2 HA MET 2 1.425 5.922 16.293 14 HB2 MET 2 HB2 MET 2 -1.147 6.683 16.335 15 HB3 MET 2 HB1 MET 2 -1.180 5.691 14.884 16 HG2 MET 2 HG2 MET 2 -1.613 4.041 16.333 17 HG3 MET 2 HG1 MET 2 0.136 4.042 16.551 18 HE1 MET 2 HE1 MET 2 -3.218 5.418 17.707 19 HE2 MET 2 HE2 MET 2 -2.345 6.913 18.042 20 HE3 MET 2 HE3 MET 2 -2.956 5.931 19.373 21 H SER 3 H SER 3 0.227 7.040 13.150 22 HA SER 3 HA SER 3 1.842 4.925 11.887 23 HB2 SER 3 HB2 SER 3 -0.968 5.423 11.640 24 HB3 SER 3 HB1 SER 3 -0.199 5.728 10.084 25 HG SER 3 HG SER 3 -0.800 3.400 11.142 26 H LEU 4 H LEU 4 2.183 7.926 12.546 27 HA LEU 4 HA LEU 4 3.275 9.703 11.653 28 HB2 LEU 4 HB2 LEU 4 3.959 8.517 9.062 29 HB3 LEU 4 HB1 LEU 4 4.990 9.256 10.277 30 HG LEU 4 HG LEU 4 4.068 6.386 10.182 31 HD11 LEU 4 1HD1 LEU 4 6.886 7.348 10.370 32 HD12 LEU 4 2HD1 LEU 4 6.058 7.332 8.813 33 HD13 LEU 4 3HD1 LEU 4 6.256 5.833 9.723 34 HD21 LEU 4 3HD2 LEU 4 4.390 6.166 12.370 35 HD22 LEU 4 1HD2 LEU 4 4.532 7.919 12.490 36 HD23 LEU 4 2HD2 LEU 4 5.975 6.932 12.256 37 H VAL 5 H VAL 5 1.997 8.074 8.781 38 HA VAL 5 HA VAL 5 0.841 10.615 7.923 39 HB VAL 5 HB VAL 5 0.723 8.351 6.056 40 HG11 VAL 5 1HG1 VAL 5 2.133 10.793 5.364 41 HG12 VAL 5 2HG1 VAL 5 0.479 11.063 5.925 42 HG13 VAL 5 3HG1 VAL 5 0.798 9.999 4.551 43 HG21 VAL 5 3HG2 VAL 5 3.413 9.562 6.665 44 HG22 VAL 5 1HG2 VAL 5 3.040 8.277 5.518 45 HG23 VAL 5 2HG2 VAL 5 2.908 7.981 7.247 46 H SER 6 H SER 6 -1.173 10.912 8.498 47 HA SER 6 HA SER 6 -3.008 8.649 8.646 48 HB2 SER 6 HB2 SER 6 -3.995 11.368 9.270 49 HB3 SER 6 HB1 SER 6 -4.222 9.855 10.148 50 HG SER 6 HG SER 6 -2.886 10.978 11.429 51 H ASP 7 H ASP 7 -5.322 9.257 7.916 52 HA ASP 7 HA ASP 7 -5.471 9.371 5.173 53 HB2 ASP 7 HB2 ASP 7 -7.865 9.954 5.475 54 HB3 ASP 7 HB1 ASP 7 -7.347 8.644 6.533 55 H GLU 8 H GLU 8 -4.954 11.964 7.365 56 HA GLU 8 HA GLU 8 -5.994 14.188 6.154 57 HB2 GLU 8 HB2 GLU 8 -3.271 13.944 7.449 58 HB3 GLU 8 HB1 GLU 8 -4.192 15.436 7.241 59 HG2 GLU 8 HG2 GLU 8 -5.478 15.037 9.028 60 HG3 GLU 8 HG1 GLU 8 -5.644 13.323 8.649 61 H GLU 9 H GLU 9 -2.663 12.988 5.624 62 HA GLU 9 HA GLU 9 -2.174 14.806 3.511 63 HB2 GLU 9 HB2 GLU 9 -0.471 13.560 4.972 64 HB3 GLU 9 HB1 GLU 9 -0.714 12.201 3.884 65 HG2 GLU 9 HG2 GLU 9 0.861 13.064 2.595 66 HG3 GLU 9 HG1 GLU 9 -0.263 14.365 2.205 67 H TRP 10 H TRP 10 -3.646 11.665 3.651 68 HA TRP 10 HA TRP 10 -3.374 11.222 0.821 69 HB2 TRP 10 HB2 TRP 10 -3.379 9.361 2.535 70 HB3 TRP 10 HB1 TRP 10 -5.121 9.598 2.645 71 HD1 TRP 10 HD TRP 10 -6.594 8.652 0.724 72 HE1 TRP 10 HE1 TRP 10 -6.121 7.305 -1.408 73 HE3 TRP 10 HE3 TRP 10 -1.501 8.969 0.682 74 HZ2 TRP 10 HZ2 TRP 10 -3.878 6.444 -2.895 75 HZ3 TRP 10 HZ3 TRP 10 -0.261 7.850 -1.123 76 HH2 TRP 10 HH TRP 10 -1.428 6.613 -2.874 77 H VAL 11 H VAL 11 -5.787 12.745 2.812 78 HA VAL 11 HA VAL 11 -7.994 12.251 1.121 79 HB VAL 11 HB VAL 11 -8.702 13.033 3.199 80 HG11 VAL 11 1HG1 VAL 11 -6.570 15.136 2.965 81 HG12 VAL 11 2HG1 VAL 11 -6.717 13.855 4.169 82 HG13 VAL 11 3HG1 VAL 11 -7.850 15.204 4.174 83 HG21 VAL 11 3HG2 VAL 11 -9.499 15.465 2.744 84 HG22 VAL 11 1HG2 VAL 11 -10.097 14.148 1.731 85 HG23 VAL 11 2HG2 VAL 11 -8.800 15.196 1.143 86 H GLU 12 H GLU 12 -5.563 14.761 1.365 87 HA GLU 12 HA GLU 12 -6.617 16.344 -0.663 88 HB2 GLU 12 HB2 GLU 12 -4.088 16.199 0.813 89 HB3 GLU 12 HB1 GLU 12 -3.920 16.832 -0.819 90 HG2 GLU 12 HG2 GLU 12 -4.225 18.646 0.721 91 HG3 GLU 12 HG1 GLU 12 -5.641 18.516 -0.320 92 H TYR 13 H TYR 13 -4.701 13.524 -0.576 93 HA TYR 13 HA TYR 13 -3.821 13.542 -3.303 94 HB2 TYR 13 HB2 TYR 13 -3.721 11.575 -1.049 95 HB3 TYR 13 HB1 TYR 13 -3.336 11.051 -2.686 96 HD1 TYR 13 HD2 TYR 13 -2.558 14.238 -0.907 97 HD2 TYR 13 HD1 TYR 13 -1.039 10.722 -2.758 98 HE1 TYR 13 HE2 TYR 13 -0.269 15.094 -0.637 99 HE2 TYR 13 HE1 TYR 13 1.255 11.568 -2.494 100 HH TYR 13 HH TYR 13 2.203 13.722 -0.495 101 H LYS 14 H LYS 14 -6.361 11.829 -1.514 102 HA LYS 14 HA LYS 14 -7.248 10.059 -3.401 103 HB2 LYS 14 HB2 LYS 14 -8.768 11.634 -1.334 104 HB3 LYS 14 HB1 LYS 14 -9.544 10.414 -2.329 105 HG2 LYS 14 HG2 LYS 14 -8.566 8.685 -1.203 106 HG3 LYS 14 HG1 LYS 14 -7.082 9.593 -0.935 107 HD2 LYS 14 HD2 LYS 14 -8.669 8.996 1.057 108 HD3 LYS 14 HD1 LYS 14 -7.862 10.558 0.995 109 HE2 LYS 14 HE2 LYS 14 -9.817 11.675 0.386 110 HE3 LYS 14 HE1 LYS 14 -10.596 10.197 -0.177 111 HZ1 LYS 14 HZ1 LYS 14 -11.316 9.701 1.874 112 HZ2 LYS 14 HZ2 LYS 14 -11.075 11.345 2.190 113 HZ3 LYS 14 HZ3 LYS 14 -9.893 10.219 2.632 114 H SER 15 H SER 15 -7.824 13.520 -3.333 115 HA SER 15 HA SER 15 -9.870 13.508 -5.318 116 HB2 SER 15 HB2 SER 15 -8.067 15.812 -4.590 117 HB3 SER 15 HB1 SER 15 -9.704 15.887 -5.243 118 HG SER 15 HG SER 15 -10.354 15.923 -3.254 119 H LYS 16 H LYS 16 -6.426 14.067 -5.145 120 HA LYS 16 HA LYS 16 -6.215 14.567 -7.924 121 HB2 LYS 16 HB2 LYS 16 -3.977 14.085 -5.976 122 HB3 LYS 16 HB1 LYS 16 -3.855 14.866 -7.547 123 HG2 LYS 16 HG2 LYS 16 -5.770 16.113 -5.712 124 HG3 LYS 16 HG1 LYS 16 -4.089 16.166 -5.179 125 HD2 LYS 16 HD2 LYS 16 -3.501 17.070 -7.448 126 HD3 LYS 16 HD1 LYS 16 -5.232 17.205 -7.767 127 HE2 LYS 16 HE2 LYS 16 -5.173 18.491 -5.448 128 HE3 LYS 16 HE1 LYS 16 -3.502 18.777 -5.933 129 HZ1 LYS 16 HZ1 LYS 16 -5.965 19.822 -7.063 130 HZ2 LYS 16 HZ2 LYS 16 -4.773 19.393 -8.182 131 HZ3 LYS 16 HZ3 LYS 16 -4.428 20.526 -6.974 132 H PHE 17 H PHE 17 -6.488 11.766 -6.161 133 HA PHE 17 HA PHE 17 -4.967 10.231 -8.169 134 HB2 PHE 17 HB2 PHE 17 -5.281 9.939 -5.264 135 HB3 PHE 17 HB1 PHE 17 -5.448 8.436 -6.164 136 HD1 PHE 17 HD1 PHE 17 -3.541 8.841 -8.359 137 HD2 PHE 17 HD2 PHE 17 -3.218 9.786 -4.222 138 HE1 PHE 17 HE1 PHE 17 -1.092 8.658 -8.513 139 HE2 PHE 17 HE2 PHE 17 -0.768 9.606 -4.369 140 HZ PHE 17 HZ PHE 17 0.297 9.043 -6.516 141 H ASP 18 H ASP 18 -8.097 11.002 -7.236 142 HA ASP 18 HA ASP 18 -10.134 10.258 -7.919 143 HB2 ASP 18 HB2 ASP 18 -8.577 8.374 -9.701 144 HB3 ASP 18 HB1 ASP 18 -10.288 8.759 -9.844 145 H LYS 19 H LYS 19 -8.172 8.656 -5.988 146 HA LYS 19 HA LYS 19 -9.992 6.364 -5.634 147 HB2 LYS 19 HB2 LYS 19 -7.254 6.283 -6.055 148 HB3 LYS 19 HB1 LYS 19 -7.385 6.167 -4.306 149 HG2 LYS 19 HG2 LYS 19 -8.146 4.072 -4.390 150 HG3 LYS 19 HG1 LYS 19 -9.251 4.428 -5.718 151 HD2 LYS 19 HD2 LYS 19 -7.537 2.776 -6.346 152 HD3 LYS 19 HD1 LYS 19 -7.437 4.244 -7.318 153 HE2 LYS 19 HE2 LYS 19 -5.236 3.327 -6.519 154 HE3 LYS 19 HE1 LYS 19 -5.542 5.016 -6.115 155 HZ1 LYS 19 HZ1 LYS 19 -5.615 4.569 -3.928 156 HZ2 LYS 19 HZ2 LYS 19 -4.717 3.200 -4.353 157 HZ3 LYS 19 HZ3 LYS 19 -6.390 3.078 -4.129 158 H ASN 20 H ASN 20 -11.373 7.655 -4.351 159 HA ASN 20 HA ASN 20 -10.289 8.912 -1.985 160 HB2 ASN 20 HB2 ASN 20 -13.027 8.837 -3.216 161 HB3 ASN 20 HB1 ASN 20 -12.730 9.562 -1.638 162 HD21 ASN 20 1HD2 ASN 20 -12.084 9.768 -5.058 163 HD22 ASN 20 2HD2 ASN 20 -11.548 11.411 -5.059 164 H TYR 21 H TYR 21 -10.129 8.061 -0.092 165 HA TYR 21 HA TYR 21 -12.184 6.414 1.018 166 HB2 TYR 21 HB2 TYR 21 -10.450 4.626 1.715 167 HB3 TYR 21 HB1 TYR 21 -11.131 4.548 0.094 168 HD1 TYR 21 HD2 TYR 21 -8.211 5.371 2.081 169 HD2 TYR 21 HD1 TYR 21 -9.716 4.893 -1.849 170 HE1 TYR 21 HE2 TYR 21 -5.936 5.332 1.231 171 HE2 TYR 21 HE1 TYR 21 -7.412 4.879 -2.730 172 HH TYR 21 HH TYR 21 -4.833 4.259 -1.096 173 H GLU 22 H GLU 22 -12.514 7.357 2.786 174 HA GLU 22 HA GLU 22 -10.671 9.043 4.142 175 HB2 GLU 22 HB2 GLU 22 -13.429 8.838 3.915 176 HB3 GLU 22 HB1 GLU 22 -13.105 8.499 5.610 177 HG2 GLU 22 HG2 GLU 22 -11.511 10.698 4.999 178 HG3 GLU 22 HG1 GLU 22 -13.046 11.001 4.187 179 H ALA 23 H ALA 23 -10.947 9.068 6.624 180 HA ALA 23 HA ALA 23 -9.189 7.425 7.800 181 HB1 ALA 23 HB1 ALA 23 -9.951 9.365 8.917 182 HB2 ALA 23 HB2 ALA 23 -10.287 7.987 9.966 183 HB3 ALA 23 HB3 ALA 23 -11.591 8.728 9.037 184 H GLU 24 H GLU 24 -12.701 6.680 7.603 185 HA GLU 24 HA GLU 24 -12.738 4.518 9.333 186 HB2 GLU 24 HB2 GLU 24 -14.640 5.609 7.898 187 HB3 GLU 24 HB1 GLU 24 -14.229 4.354 6.737 188 HG2 GLU 24 HG2 GLU 24 -14.871 3.726 9.597 189 HG3 GLU 24 HG1 GLU 24 -16.121 3.878 8.363 190 H GLU 25 H GLU 25 -12.221 4.367 5.808 191 HA GLU 25 HA GLU 25 -11.267 1.651 5.925 192 HB2 GLU 25 HB2 GLU 25 -12.201 3.383 3.910 193 HB3 GLU 25 HB1 GLU 25 -10.523 3.049 3.504 194 HG2 GLU 25 HG2 GLU 25 -11.109 0.591 3.828 195 HG3 GLU 25 HG1 GLU 25 -12.793 1.114 3.808 196 H ASP 26 H ASP 26 -9.964 4.863 5.713 197 HA ASP 26 HA ASP 26 -7.315 4.411 5.100 198 HB2 ASP 26 HB2 ASP 26 -8.804 6.520 6.534 199 HB3 ASP 26 HB1 ASP 26 -7.051 6.563 6.613 200 H LEU 27 H LEU 27 -8.920 4.043 8.205 201 HA LEU 27 HA LEU 27 -6.872 4.313 9.977 202 HB2 LEU 27 HB2 LEU 27 -9.398 3.525 10.118 203 HB3 LEU 27 HB1 LEU 27 -8.637 1.950 10.304 204 HG LEU 27 HG LEU 27 -7.440 3.972 12.009 205 HD11 LEU 27 1HD1 LEU 27 -10.061 4.450 11.763 206 HD12 LEU 27 2HD1 LEU 27 -9.179 4.673 13.273 207 HD13 LEU 27 3HD1 LEU 27 -10.108 3.198 13.005 208 HD21 LEU 27 3HD2 LEU 27 -8.689 1.275 12.490 209 HD22 LEU 27 1HD2 LEU 27 -7.838 2.217 13.715 210 HD23 LEU 27 2HD2 LEU 27 -6.973 1.633 12.293 211 H MET 28 H MET 28 -7.701 1.254 8.328 212 HA MET 28 HA MET 28 -5.376 -0.107 9.254 213 HB2 MET 28 HB2 MET 28 -5.920 -1.802 7.577 214 HB3 MET 28 HB1 MET 28 -7.374 -1.316 8.440 215 HG2 MET 28 HG2 MET 28 -7.379 0.393 6.319 216 HG3 MET 28 HG1 MET 28 -6.688 -1.064 5.614 217 HE1 MET 28 HE1 MET 28 -10.144 0.491 7.105 218 HE2 MET 28 HE2 MET 28 -9.171 -0.260 8.369 219 HE3 MET 28 HE3 MET 28 -10.687 -1.005 7.864 220 H ARG 29 H ARG 29 -6.166 2.011 6.652 221 HA ARG 29 HA ARG 29 -3.873 1.540 5.059 222 HB2 ARG 29 HB2 ARG 29 -5.945 3.621 5.183 223 HB3 ARG 29 HB1 ARG 29 -4.562 3.896 4.178 224 HG2 ARG 29 HG2 ARG 29 -5.220 2.384 2.617 225 HG3 ARG 29 HG1 ARG 29 -5.968 1.320 3.819 226 HD2 ARG 29 HD2 ARG 29 -7.944 2.587 3.866 227 HD3 ARG 29 HD1 ARG 29 -7.171 3.981 3.116 228 HE ARG 29 HE ARG 29 -7.267 2.883 1.029 229 HH11 ARG 29 1HH1 ARG 29 -8.919 1.128 3.560 230 HH12 ARG 29 2HH1 ARG 29 -9.686 0.032 2.464 231 HH21 ARG 29 1HH2 ARG 29 -8.232 1.397 -0.403 232 HH22 ARG 29 2HH2 ARG 29 -9.297 0.181 0.218 233 H ARG 30 H ARG 30 -4.561 3.449 7.870 234 HA ARG 30 HA ARG 30 -2.716 5.502 7.712 235 HB2 ARG 30 HB2 ARG 30 -3.392 3.836 10.154 236 HB3 ARG 30 HB1 ARG 30 -2.602 5.404 10.184 237 HG2 ARG 30 HG2 ARG 30 -5.306 5.061 8.950 238 HG3 ARG 30 HG1 ARG 30 -5.110 5.284 10.687 239 HD2 ARG 30 HD2 ARG 30 -3.745 7.344 10.121 240 HD3 ARG 30 HD1 ARG 30 -4.335 7.160 8.469 241 HE ARG 30 HE ARG 30 -6.376 7.949 9.143 242 HH11 ARG 30 1HH1 ARG 30 -4.502 7.102 11.962 243 HH12 ARG 30 2HH1 ARG 30 -5.630 7.800 13.076 244 HH21 ARG 30 1HH2 ARG 30 -7.860 8.870 10.605 245 HH22 ARG 30 2HH2 ARG 30 -7.537 8.803 12.306 246 H ARG 31 H ARG 31 -2.341 2.116 8.476 247 HA ARG 31 HA ARG 31 0.417 2.235 9.169 248 HB2 ARG 31 HB2 ARG 31 -1.078 -0.191 8.181 249 HB3 ARG 31 HB1 ARG 31 0.348 -0.149 9.209 250 HG2 ARG 31 HG2 ARG 31 -2.110 1.189 10.194 251 HG3 ARG 31 HG1 ARG 31 -2.066 -0.574 10.181 252 HD2 ARG 31 HD2 ARG 31 0.204 -0.319 11.357 253 HD3 ARG 31 HD1 ARG 31 -0.298 1.343 11.664 254 HE ARG 31 HE ARG 31 -2.308 -0.496 12.464 255 HH11 ARG 31 1HH1 ARG 31 0.783 0.811 13.426 256 HH12 ARG 31 2HH1 ARG 31 0.510 0.544 15.116 257 HH21 ARG 31 1HH2 ARG 31 -2.668 -0.846 14.685 258 HH22 ARG 31 2HH2 ARG 31 -1.448 -0.398 15.830 259 H ILE 32 H ILE 32 -1.358 1.778 6.110 260 HA ILE 32 HA ILE 32 1.089 1.016 4.732 261 HB ILE 32 HB ILE 32 -0.506 -0.020 3.580 262 HG12 ILE 32 2HG1 ILE 32 -1.219 1.151 1.576 263 HG13 ILE 32 1HG1 ILE 32 -0.746 2.671 2.340 264 HG21 ILE 32 1HG2 ILE 32 -2.394 2.130 4.290 265 HG22 ILE 32 2HG2 ILE 32 -2.325 0.496 4.945 266 HG23 ILE 32 3HG2 ILE 32 -2.794 0.759 3.265 267 HD11 ILE 32 3HD1 ILE 32 1.321 2.382 1.650 268 HD12 ILE 32 1HD1 ILE 32 0.743 0.942 0.837 269 HD13 ILE 32 2HD1 ILE 32 1.399 0.820 2.458 270 H TYR 33 H TYR 33 -0.837 3.791 5.274 271 HA TYR 33 HA TYR 33 0.364 5.403 3.393 272 HB2 TYR 33 HB2 TYR 33 -1.694 5.931 4.878 273 HB3 TYR 33 HB1 TYR 33 -0.492 6.577 5.997 274 HD1 TYR 33 HD2 TYR 33 0.921 6.971 2.898 275 HD2 TYR 33 HD1 TYR 33 -2.204 8.598 5.285 276 HE1 TYR 33 HE2 TYR 33 0.976 9.014 1.557 277 HE2 TYR 33 HE1 TYR 33 -2.122 10.675 3.974 278 HH TYR 33 HH TYR 33 -1.270 11.174 1.351 279 H ALA 34 H ALA 34 1.385 4.443 6.582 280 HA ALA 34 HA ALA 34 3.328 6.325 7.106 281 HB1 ALA 34 HB1 ALA 34 2.708 4.785 8.809 282 HB2 ALA 34 HB2 ALA 34 4.427 4.561 8.487 283 HB3 ALA 34 HB3 ALA 34 3.252 3.419 7.835 284 H GLU 35 H GLU 35 3.730 3.275 5.425 285 HA GLU 35 HA GLU 35 6.463 3.522 4.860 286 HB2 GLU 35 HB2 GLU 35 5.839 2.032 2.846 287 HB3 GLU 35 HB1 GLU 35 5.572 1.408 4.471 288 HG2 GLU 35 HG2 GLU 35 3.242 2.819 3.767 289 HG3 GLU 35 HG1 GLU 35 3.697 1.826 2.360 290 H SER 36 H SER 36 3.656 4.920 3.299 291 HA SER 36 HA SER 36 4.556 5.504 0.790 292 HB2 SER 36 HB2 SER 36 2.744 6.854 0.633 293 HB3 SER 36 HB1 SER 36 2.362 6.196 2.222 294 HG SER 36 HG SER 36 2.684 8.099 3.052 295 H LYS 37 H LYS 37 5.009 7.661 3.623 296 HA LYS 37 HA LYS 37 6.601 9.520 2.237 297 HB2 LYS 37 HB2 LYS 37 7.282 9.014 5.061 298 HB3 LYS 37 HB1 LYS 37 7.008 10.536 4.240 299 HG2 LYS 37 HG2 LYS 37 4.956 8.631 5.328 300 HG3 LYS 37 HG1 LYS 37 5.266 10.296 5.816 301 HD2 LYS 37 HD2 LYS 37 4.526 9.818 2.978 302 HD3 LYS 37 HD1 LYS 37 3.260 9.637 4.189 303 HE2 LYS 37 HE2 LYS 37 3.885 11.910 5.043 304 HE3 LYS 37 HE1 LYS 37 4.946 12.071 3.643 305 HZ1 LYS 37 HZ1 LYS 37 2.959 11.677 2.233 306 HZ2 LYS 37 HZ2 LYS 37 2.875 13.104 3.139 307 HZ3 LYS 37 HZ3 LYS 37 1.996 11.743 3.622 308 H ALA 38 H ALA 38 7.409 6.556 3.991 309 HA ALA 38 HA ALA 38 10.178 6.676 3.921 310 HB1 ALA 38 HB1 ALA 38 8.876 4.079 3.317 311 HB2 ALA 38 HB2 ALA 38 8.514 4.855 4.858 312 HB3 ALA 38 HB3 ALA 38 10.179 4.446 4.447 313 H ARG 39 H ARG 39 7.867 5.859 1.519 314 HA ARG 39 HA ARG 39 9.664 5.008 -0.505 315 HB2 ARG 39 HB2 ARG 39 6.915 6.118 -0.877 316 HB3 ARG 39 HB1 ARG 39 7.744 4.934 -1.888 317 HG2 ARG 39 HG2 ARG 39 7.504 4.077 0.882 318 HG3 ARG 39 HG1 ARG 39 5.933 4.373 0.116 319 HD2 ARG 39 HD2 ARG 39 6.341 2.793 -1.581 320 HD3 ARG 39 HD1 ARG 39 8.066 2.733 -1.220 321 HE ARG 39 HE ARG 39 7.640 1.217 0.449 322 HH11 ARG 39 1HH1 ARG 39 4.634 2.660 -0.584 323 HH12 ARG 39 2HH1 ARG 39 3.651 1.550 0.309 324 HH21 ARG 39 1HH2 ARG 39 6.347 -0.243 1.624 325 HH22 ARG 39 2HH2 ARG 39 4.622 -0.099 1.563 326 H ILE 40 H ILE 40 8.274 8.060 0.506 327 HA ILE 40 HA ILE 40 8.967 9.470 -1.860 328 HB ILE 40 HB ILE 40 8.385 10.454 0.924 329 HG12 ILE 40 2HG1 ILE 40 6.285 9.901 0.358 330 HG13 ILE 40 1HG1 ILE 40 6.348 11.145 -0.877 331 HG21 ILE 40 1HG2 ILE 40 8.356 12.102 -1.595 332 HG22 ILE 40 2HG2 ILE 40 9.751 12.032 -0.518 333 HG23 ILE 40 3HG2 ILE 40 8.211 12.656 0.074 334 HD11 ILE 40 3HD1 ILE 40 5.623 8.749 -1.520 335 HD12 ILE 40 1HD1 ILE 40 7.353 8.359 -1.475 336 HD13 ILE 40 2HD1 ILE 40 6.740 9.610 -2.572 337 H GLU 41 H GLU 41 10.524 8.610 1.046 338 HA GLU 41 HA GLU 41 12.912 10.178 0.680 339 HB2 GLU 41 HB2 GLU 41 12.044 7.974 2.513 340 HB3 GLU 41 HB1 GLU 41 13.764 8.291 2.340 341 HG2 GLU 41 HG2 GLU 41 11.831 10.481 3.001 342 HG3 GLU 41 HG1 GLU 41 12.509 9.435 4.248 343 H GLU 42 H GLU 42 11.590 7.233 -0.383 344 HA GLU 42 HA GLU 42 13.596 5.499 -0.984 345 HB2 GLU 42 HB2 GLU 42 11.152 5.143 -1.251 346 HB3 GLU 42 HB1 GLU 42 11.161 6.262 -2.578 347 HG2 GLU 42 HG2 GLU 42 11.559 4.719 -4.029 348 HG3 GLU 42 HG1 GLU 42 13.046 4.246 -3.183 349 H HIS 43 H HIS 43 12.120 7.530 -3.507 350 HA HIS 43 HA HIS 43 14.336 7.064 -5.269 351 HB2 HIS 43 HB2 HIS 43 11.767 8.582 -5.490 352 HB3 HIS 43 HB1 HIS 43 12.953 8.569 -6.790 353 HD1 HIS 43 HD1 HIS 43 10.380 6.460 -5.118 354 HD2 HIS 43 HD2 HIS 43 13.200 6.104 -8.150 355 HE1 HIS 43 HE1 HIS 43 9.805 4.329 -6.323 356 HE2 HIS 43 HE2 HIS 43 11.469 4.181 -8.210 357 H ASN 44 H ASN 44 13.194 9.676 -3.287 358 HA ASN 44 HA ASN 44 14.623 11.736 -4.510 359 HB2 ASN 44 HB2 ASN 44 13.090 11.357 -2.083 360 HB3 ASN 44 HB1 ASN 44 14.424 12.493 -1.871 361 HD21 ASN 44 1HD2 ASN 44 14.423 14.402 -2.955 362 HD22 ASN 44 2HD2 ASN 44 13.052 15.002 -3.825 363 H ARG 45 H ARG 45 15.588 9.302 -2.246 364 HA ARG 45 HA ARG 45 18.131 10.598 -1.688 365 HB2 ARG 45 HB2 ARG 45 16.663 8.214 -0.688 366 HB3 ARG 45 HB1 ARG 45 18.419 8.199 -0.555 367 HG2 ARG 45 HG2 ARG 45 16.678 10.414 0.505 368 HG3 ARG 45 HG1 ARG 45 17.216 9.033 1.465 369 HD2 ARG 45 HD2 ARG 45 19.526 9.649 1.133 370 HD3 ARG 45 HD1 ARG 45 19.057 10.954 0.046 371 HE ARG 45 HE ARG 45 18.553 12.252 1.866 372 HH11 ARG 45 1HH1 ARG 45 18.924 8.939 2.898 373 HH12 ARG 45 2HH1 ARG 45 18.875 9.329 4.585 374 HH21 ARG 45 1HH2 ARG 45 18.491 12.766 4.083 375 HH22 ARG 45 2HH2 ARG 45 18.628 11.501 5.258 376 H LYS 46 H LYS 46 16.786 8.443 -3.921 377 HA LYS 46 HA LYS 46 18.954 6.757 -4.546 378 HB2 LYS 46 HB2 LYS 46 16.295 7.321 -5.344 379 HB3 LYS 46 HB1 LYS 46 17.277 7.111 -6.770 380 HG2 LYS 46 HG2 LYS 46 17.775 4.911 -6.295 381 HG3 LYS 46 HG1 LYS 46 17.464 5.114 -4.569 382 HD2 LYS 46 HD2 LYS 46 15.153 5.019 -4.849 383 HD3 LYS 46 HD1 LYS 46 15.251 5.406 -6.569 384 HE2 LYS 46 HE2 LYS 46 14.862 3.174 -6.741 385 HE3 LYS 46 HE1 LYS 46 16.619 3.129 -6.604 386 HZ1 LYS 46 HZ1 LYS 46 14.582 2.421 -4.610 387 HZ2 LYS 46 HZ2 LYS 46 16.087 2.980 -4.078 388 HZ3 LYS 46 HZ3 LYS 46 15.994 1.594 -5.044 389 H PHE 47 H PHE 47 17.723 9.529 -6.499 390 HA PHE 47 HA PHE 47 19.998 9.530 -8.224 391 HB2 PHE 47 HB2 PHE 47 19.238 11.758 -8.945 392 HB3 PHE 47 HB1 PHE 47 17.934 10.583 -9.029 393 HD1 PHE 47 HD2 PHE 47 16.098 10.678 -7.533 394 HD2 PHE 47 HD1 PHE 47 19.168 13.597 -7.387 395 HE1 PHE 47 HE2 PHE 47 14.616 12.154 -6.231 396 HE2 PHE 47 HE1 PHE 47 17.710 15.085 -6.073 397 HZ PHE 47 HZ PHE 47 15.426 14.362 -5.493 398 H GLU 48 H GLU 48 18.875 10.874 -5.358 399 HA GLU 48 HA GLU 48 20.675 12.822 -4.720 400 HB2 GLU 48 HB2 GLU 48 18.666 11.192 -3.530 401 HB3 GLU 48 HB1 GLU 48 20.078 11.182 -2.451 402 HG2 GLU 48 HG2 GLU 48 20.048 13.739 -2.694 403 HG3 GLU 48 HG1 GLU 48 18.420 13.520 -3.332 404 H LYS 49 H LYS 49 21.110 9.519 -5.324 405 HA LYS 49 HA LYS 49 23.635 9.335 -3.885 406 HB2 LYS 49 HB2 LYS 49 21.543 7.492 -4.376 407 HB3 LYS 49 HB1 LYS 49 22.984 6.903 -5.192 408 HG2 LYS 49 HG2 LYS 49 22.640 7.510 -2.267 409 HG3 LYS 49 HG1 LYS 49 22.940 5.944 -3.024 410 HD2 LYS 49 HD2 LYS 49 25.094 6.327 -2.536 411 HD3 LYS 49 HD1 LYS 49 25.061 7.439 -3.906 412 HE2 LYS 49 HE2 LYS 49 25.777 8.946 -2.402 413 HE3 LYS 49 HE1 LYS 49 24.079 9.019 -1.936 414 HZ1 LYS 49 HZ1 LYS 49 25.691 6.949 -0.672 415 HZ2 LYS 49 HZ2 LYS 49 24.462 7.913 -0.021 416 HZ3 LYS 49 HZ3 LYS 49 26.020 8.544 -0.211 417 H GLY 50 H GLY 50 22.993 10.756 -6.553 418 HA2 GLY 50 HA2 GLY 50 23.988 10.975 -8.638 419 HA3 GLY 50 HA1 GLY 50 25.437 10.347 -7.844 420 H GLU 51 H GLU 51 22.444 8.707 -7.955 421 HA GLU 51 HA GLU 51 23.617 6.393 -9.203 422 HB2 GLU 51 HB2 GLU 51 21.729 6.990 -7.174 423 HB3 GLU 51 HB1 GLU 51 20.838 6.157 -8.468 424 HG2 GLU 51 HG2 GLU 51 23.402 5.072 -7.342 425 HG3 GLU 51 HG1 GLU 51 21.828 4.714 -6.634 426 H VAL 52 H VAL 52 20.543 8.136 -9.588 427 HA VAL 52 HA VAL 52 20.647 8.127 -12.462 428 HB VAL 52 HB VAL 52 19.239 6.409 -12.853 429 HG11 VAL 52 1HG1 VAL 52 19.207 5.984 -9.894 430 HG12 VAL 52 2HG1 VAL 52 20.383 5.293 -11.017 431 HG13 VAL 52 3HG1 VAL 52 18.689 4.798 -11.093 432 HG21 VAL 52 3HG2 VAL 52 17.005 6.263 -11.576 433 HG22 VAL 52 1HG2 VAL 52 17.280 7.604 -12.679 434 HG23 VAL 52 2HG2 VAL 52 17.456 7.848 -10.936 435 H THR 53 H THR 53 18.346 9.128 -13.106 436 HA THR 53 HA THR 53 17.746 10.935 -10.873 437 HB THR 53 HB THR 53 18.726 11.941 -12.885 438 HG1 THR 53 HG1 THR 53 17.129 13.620 -12.999 439 HG21 THR 53 3HG2 THR 53 17.346 10.405 -14.463 440 HG22 THR 53 1HG2 THR 53 17.702 12.065 -14.940 441 HG23 THR 53 2HG2 THR 53 16.113 11.654 -14.296 442 H TRP 54 H TRP 54 16.355 9.707 -9.903 443 HA TRP 54 HA TRP 54 13.713 9.391 -11.122 444 HB2 TRP 54 HB2 TRP 54 13.521 7.183 -9.785 445 HB3 TRP 54 HB1 TRP 54 14.368 7.166 -11.323 446 HD1 TRP 54 HD TRP 54 16.625 8.626 -8.781 447 HE1 TRP 54 HE1 TRP 54 18.344 6.880 -8.000 448 HE3 TRP 54 HE3 TRP 54 14.393 4.426 -10.654 449 HZ2 TRP 54 HZ2 TRP 54 18.676 4.076 -8.127 450 HZ3 TRP 54 HZ3 TRP 54 15.470 2.248 -10.268 451 HH2 TRP 54 HH TRP 54 17.568 2.078 -9.030 452 H LYS 55 H LYS 55 12.117 10.124 -9.864 453 HA LYS 55 HA LYS 55 12.717 10.570 -7.020 454 HB2 LYS 55 HB2 LYS 55 10.514 12.154 -7.519 455 HB3 LYS 55 HB1 LYS 55 12.187 12.694 -7.306 456 HG2 LYS 55 HG2 LYS 55 12.485 12.277 -9.774 457 HG3 LYS 55 HG1 LYS 55 10.724 12.219 -9.873 458 HD2 LYS 55 HD2 LYS 55 10.773 14.479 -8.662 459 HD3 LYS 55 HD1 LYS 55 12.490 14.519 -9.071 460 HE2 LYS 55 HE2 LYS 55 11.830 14.174 -11.466 461 HE3 LYS 55 HE1 LYS 55 10.152 14.394 -10.969 462 HZ1 LYS 55 HZ1 LYS 55 11.273 16.559 -9.906 463 HZ2 LYS 55 HZ2 LYS 55 10.602 16.527 -11.458 464 HZ3 LYS 55 HZ3 LYS 55 12.272 16.355 -11.256 465 H MET 56 H MET 56 11.052 10.537 -5.587 466 HA MET 56 HA MET 56 9.505 8.177 -5.642 467 HB2 MET 56 HB2 MET 56 8.258 9.671 -3.787 468 HB3 MET 56 HB1 MET 56 9.764 8.824 -3.468 469 HG2 MET 56 HG2 MET 56 9.722 11.136 -2.636 470 HG3 MET 56 HG1 MET 56 10.989 10.872 -3.828 471 HE1 MET 56 HE1 MET 56 9.705 13.266 -2.531 472 HE2 MET 56 HE2 MET 56 8.298 13.995 -3.305 473 HE3 MET 56 HE3 MET 56 9.922 14.434 -3.835 474 H GLY 57 H GLY 57 6.953 8.429 -5.127 475 HA2 GLY 57 HA2 GLY 57 5.701 10.628 -6.501 476 HA3 GLY 57 HA1 GLY 57 5.566 9.091 -7.339 477 H ILE 58 H ILE 58 5.670 8.511 -4.030 478 HA ILE 58 HA ILE 58 4.086 7.824 -2.526 479 HB ILE 58 HB ILE 58 2.576 9.966 -3.962 480 HG12 ILE 58 2HG1 ILE 58 4.723 10.461 -2.567 481 HG13 ILE 58 1HG1 ILE 58 3.313 11.491 -2.357 482 HG21 ILE 58 1HG2 ILE 58 1.384 9.837 -1.513 483 HG22 ILE 58 2HG2 ILE 58 1.722 8.138 -1.839 484 HG23 ILE 58 3HG2 ILE 58 0.760 9.078 -2.978 485 HD11 ILE 58 3HD1 ILE 58 4.430 10.860 -0.240 486 HD12 ILE 58 1HD1 ILE 58 4.001 9.177 -0.554 487 HD13 ILE 58 2HD1 ILE 58 2.735 10.382 -0.315 488 H ASN 59 H ASN 59 3.852 5.766 -3.516 489 HA ASN 59 HA ASN 59 2.304 5.477 -5.777 490 HB2 ASN 59 HB2 ASN 59 2.799 3.315 -3.718 491 HB3 ASN 59 HB1 ASN 59 2.394 3.074 -5.414 492 HD21 ASN 59 1HD2 ASN 59 4.814 2.718 -3.408 493 HD22 ASN 59 2HD2 ASN 59 6.160 3.118 -4.413 494 H HIS 60 H HIS 60 0.190 4.588 -6.086 495 HA HIS 60 HA HIS 60 -1.823 5.741 -4.589 496 HB2 HIS 60 HB2 HIS 60 -2.109 3.183 -6.172 497 HB3 HIS 60 HB1 HIS 60 -3.373 4.353 -5.805 498 HD1 HIS 60 HD1 HIS 60 -0.374 3.842 -8.003 499 HD2 HIS 60 HD2 HIS 60 -3.466 6.568 -7.481 500 HE1 HIS 60 HE1 HIS 60 -0.280 5.356 -10.007 501 HE2 HIS 60 HE2 HIS 60 -2.216 6.942 -9.714 502 H LEU 61 H LEU 61 -0.681 2.349 -4.405 503 HA LEU 61 HA LEU 61 -2.475 1.794 -2.278 504 HB2 LEU 61 HB2 LEU 61 -1.461 -0.291 -1.987 505 HB3 LEU 61 HB1 LEU 61 -1.549 -0.002 -3.715 506 HG LEU 61 HG LEU 61 0.533 -1.101 -2.609 507 HD11 LEU 61 1HD1 LEU 61 1.420 0.972 -4.498 508 HD12 LEU 61 2HD1 LEU 61 0.057 -0.019 -5.018 509 HD13 LEU 61 3HD1 LEU 61 1.583 -0.782 -4.572 510 HD21 LEU 61 3HD2 LEU 61 0.917 0.764 -0.995 511 HD22 LEU 61 1HD2 LEU 61 1.414 1.756 -2.373 512 HD23 LEU 61 2HD2 LEU 61 2.314 0.301 -1.964 513 H ALA 62 H ALA 62 0.267 3.716 -2.284 514 HA ALA 62 HA ALA 62 1.487 2.841 0.062 515 HB1 ALA 62 HB1 ALA 62 2.514 4.901 0.345 516 HB2 ALA 62 HB2 ALA 62 1.365 5.722 -0.732 517 HB3 ALA 62 HB3 ALA 62 2.512 4.545 -1.391 518 H ASP 63 H ASP 63 -1.611 3.643 -0.266 519 HA ASP 63 HA ASP 63 -1.770 4.528 2.502 520 HB2 ASP 63 HB2 ASP 63 -2.550 6.091 0.582 521 HB3 ASP 63 HB1 ASP 63 -3.918 5.008 0.444 522 H LEU 64 H LEU 64 -2.692 2.441 -0.078 523 HA LEU 64 HA LEU 64 -3.889 0.711 1.945 524 HB2 LEU 64 HB2 LEU 64 -5.522 -0.012 0.321 525 HB3 LEU 64 HB1 LEU 64 -5.748 1.662 0.782 526 HG LEU 64 HG LEU 64 -4.152 1.977 -1.357 527 HD11 LEU 64 1HD1 LEU 64 -3.894 0.048 -2.339 528 HD12 LEU 64 2HD1 LEU 64 -5.471 0.405 -3.055 529 HD13 LEU 64 3HD1 LEU 64 -5.356 -0.662 -1.650 530 HD21 LEU 64 3HD2 LEU 64 -5.910 3.094 -2.207 531 HD22 LEU 64 1HD2 LEU 64 -6.713 2.646 -0.705 532 HD23 LEU 64 2HD2 LEU 64 -6.957 1.677 -2.155 533 H THR 65 H THR 65 -2.160 -0.499 1.994 534 HA THR 65 HA THR 65 -1.343 -1.912 -0.445 535 HB THR 65 HB THR 65 0.414 -2.746 1.551 536 HG1 THR 65 HG1 THR 65 0.946 -1.091 2.760 537 HG21 THR 65 3HG2 THR 65 1.670 -0.543 0.411 538 HG22 THR 65 1HG2 THR 65 0.581 -1.177 -0.817 539 HG23 THR 65 2HG2 THR 65 1.784 -2.230 -0.085 540 HA PRO 66 HA PRO 66 -2.483 -6.140 0.859 541 HB2 PRO 66 HB2 PRO 66 -0.332 -6.854 2.565 542 HB3 PRO 66 HB1 PRO 66 -0.483 -7.253 0.846 543 HG2 PRO 66 HG2 PRO 66 0.804 -4.850 2.124 544 HG3 PRO 66 HG1 PRO 66 1.474 -5.915 0.845 545 HD2 PRO 66 HD2 PRO 66 0.484 -3.680 0.046 546 HD3 PRO 66 HD1 PRO 66 -0.237 -5.127 -0.701 547 H GLU 67 H GLU 67 -1.115 -3.895 3.200 548 HA GLU 67 HA GLU 67 -2.131 -4.892 5.620 549 HB2 GLU 67 HB2 GLU 67 -2.421 -1.958 5.139 550 HB3 GLU 67 HB1 GLU 67 -1.592 -2.792 6.471 551 HG2 GLU 67 HG2 GLU 67 -0.596 -2.050 3.750 552 HG3 GLU 67 HG1 GLU 67 0.041 -1.574 5.327 553 H GLU 68 H GLU 68 -3.280 -2.507 3.415 554 HA GLU 68 HA GLU 68 -5.975 -2.405 4.415 555 HB2 GLU 68 HB2 GLU 68 -4.908 -0.417 3.545 556 HB3 GLU 68 HB1 GLU 68 -4.639 -1.205 1.997 557 HG2 GLU 68 HG2 GLU 68 -7.403 -0.885 3.081 558 HG3 GLU 68 HG1 GLU 68 -6.589 0.419 2.212 559 H PHE 69 H PHE 69 -4.373 -3.424 1.485 560 HA PHE 69 HA PHE 69 -6.454 -4.296 -0.055 561 HB2 PHE 69 HB2 PHE 69 -3.556 -4.813 0.136 562 HB3 PHE 69 HB1 PHE 69 -4.469 -6.029 -0.744 563 HD1 PHE 69 HD1 PHE 69 -5.976 -5.211 -2.629 564 HD2 PHE 69 HD2 PHE 69 -2.853 -2.804 -0.938 565 HE1 PHE 69 HE1 PHE 69 -5.935 -3.828 -4.659 566 HE2 PHE 69 HE2 PHE 69 -2.831 -1.443 -2.978 567 HZ PHE 69 HZ PHE 69 -4.364 -1.943 -4.834 568 H ALA 70 H ALA 70 -4.562 -6.242 2.255 569 HA ALA 70 HA ALA 70 -6.240 -8.550 1.849 570 HB1 ALA 70 HB1 ALA 70 -4.632 -9.728 2.900 571 HB2 ALA 70 HB2 ALA 70 -4.405 -8.508 4.153 572 HB3 ALA 70 HB3 ALA 70 -3.663 -8.293 2.569 573 H GLN 71 H GLN 71 -6.201 -5.848 4.013 574 HA GLN 71 HA GLN 71 -7.969 -7.230 5.897 575 HB2 GLN 71 HB2 GLN 71 -5.937 -5.824 6.609 576 HB3 GLN 71 HB1 GLN 71 -6.933 -4.428 6.221 577 HG2 GLN 71 HG2 GLN 71 -8.094 -4.602 8.107 578 HG3 GLN 71 HG1 GLN 71 -8.318 -6.340 7.907 579 HE21 GLN 71 1HE2 GLN 71 -5.770 -7.271 7.956 580 HE22 GLN 71 2HE2 GLN 71 -5.050 -6.960 9.496 581 H ARG 72 H ARG 72 -8.258 -5.303 3.175 582 HA ARG 72 HA ARG 72 -10.633 -3.895 4.073 583 HB2 ARG 72 HB2 ARG 72 -10.641 -2.823 1.917 584 HB3 ARG 72 HB1 ARG 72 -9.005 -2.779 2.552 585 HG2 ARG 72 HG2 ARG 72 -8.199 -3.891 0.807 586 HG3 ARG 72 HG1 ARG 72 -9.449 -5.128 0.920 587 HD2 ARG 72 HD2 ARG 72 -10.004 -2.416 -0.241 588 HD3 ARG 72 HD1 ARG 72 -9.346 -3.729 -1.217 589 HE ARG 72 HE ARG 72 -11.759 -4.350 0.263 590 HH11 ARG 72 1HH1 ARG 72 -10.385 -3.278 -2.764 591 HH12 ARG 72 2HH1 ARG 72 -11.776 -3.724 -3.694 592 HH21 ARG 72 1HH2 ARG 72 -13.588 -4.932 -0.962 593 HH22 ARG 72 2HH2 ARG 72 -13.593 -4.661 -2.673 594 H SER 73 H SER 73 -9.656 -6.641 2.186 595 HA SER 73 HA SER 73 -12.074 -7.962 2.451 596 HB2 SER 73 HB2 SER 73 -11.802 -6.316 -0.022 597 HB3 SER 73 HB1 SER 73 -12.564 -7.899 -0.159 598 HG SER 73 HG SER 73 -13.526 -5.591 0.925 599 H GLY 74 H GLY 74 -9.466 -8.678 2.817 600 HA2 GLY 74 HA2 GLY 74 -9.255 -10.921 0.960 601 HA3 GLY 74 HA1 GLY 74 -7.876 -9.833 1.038 602 H LYS 75 H LYS 75 -9.903 -10.700 3.780 603 HA LYS 75 HA LYS 75 -7.589 -11.555 5.259 604 HB2 LYS 75 HB2 LYS 75 -10.462 -11.074 5.855 605 HB3 LYS 75 HB1 LYS 75 -9.594 -12.173 6.919 606 HG2 LYS 75 HG2 LYS 75 -8.188 -10.523 7.702 607 HG3 LYS 75 HG1 LYS 75 -8.428 -9.501 6.284 608 HD2 LYS 75 HD2 LYS 75 -10.294 -8.547 7.126 609 HD3 LYS 75 HD1 LYS 75 -10.845 -10.047 7.875 610 HE2 LYS 75 HE2 LYS 75 -9.769 -9.629 9.828 611 HE3 LYS 75 HE1 LYS 75 -8.432 -8.793 9.037 612 HZ1 LYS 75 HZ1 LYS 75 -11.015 -7.737 9.933 613 HZ2 LYS 75 HZ2 LYS 75 -10.287 -7.026 8.582 614 HZ3 LYS 75 HZ3 LYS 75 -9.469 -7.060 10.063 615 H LYS 76 H LYS 76 -10.716 -13.226 5.110 616 HA LYS 76 HA LYS 76 -9.287 -15.706 4.428 617 HB2 LYS 76 HB2 LYS 76 -10.622 -15.101 6.879 618 HB3 LYS 76 HB1 LYS 76 -11.538 -16.352 6.050 619 HG2 LYS 76 HG2 LYS 76 -9.432 -17.658 5.829 620 HG3 LYS 76 HG1 LYS 76 -8.633 -16.441 6.827 621 HD2 LYS 76 HD2 LYS 76 -10.545 -16.914 8.508 622 HD3 LYS 76 HD1 LYS 76 -10.775 -18.397 7.579 623 HE2 LYS 76 HE2 LYS 76 -9.327 -18.960 9.357 624 HE3 LYS 76 HE1 LYS 76 -8.311 -18.841 7.921 625 HZ1 LYS 76 HZ1 LYS 76 -7.817 -16.510 8.653 626 HZ2 LYS 76 HZ2 LYS 76 -7.189 -17.723 9.649 627 HZ3 LYS 76 HZ3 LYS 76 -8.572 -16.875 10.123 628 H VAL 77 H VAL 77 -10.024 -15.200 2.263 629 HA VAL 77 HA VAL 77 -12.636 -16.360 1.752 630 HB VAL 77 HB VAL 77 -13.344 -14.544 0.250 631 HG11 VAL 77 1HG1 VAL 77 -14.271 -13.209 1.903 632 HG12 VAL 77 2HG1 VAL 77 -12.829 -13.285 2.915 633 HG13 VAL 77 3HG1 VAL 77 -13.884 -14.692 2.775 634 HG21 VAL 77 3HG2 VAL 77 -11.100 -13.642 -0.232 635 HG22 VAL 77 1HG2 VAL 77 -11.025 -12.999 1.408 636 HG23 VAL 77 2HG2 VAL 77 -12.232 -12.389 0.276 637 HA PRO 78 HA PRO 78 -10.788 -18.179 -1.793 638 HB2 PRO 78 HB2 PRO 78 -12.949 -17.087 -3.507 639 HB3 PRO 78 HB1 PRO 78 -12.445 -18.760 -3.256 640 HG2 PRO 78 HG2 PRO 78 -14.699 -17.821 -2.171 641 HG3 PRO 78 HG1 PRO 78 -13.672 -18.984 -1.310 642 HD2 PRO 78 HD2 PRO 78 -13.965 -16.039 -0.898 643 HD3 PRO 78 HD1 PRO 78 -13.728 -17.330 0.298 644 HA PRO 79 HA PRO 79 -10.437 -14.328 -4.827 645 HB2 PRO 79 HB2 PRO 79 -11.207 -12.175 -2.937 646 HB3 PRO 79 HB1 PRO 79 -11.579 -12.352 -4.655 647 HG2 PRO 79 HG2 PRO 79 -13.450 -12.762 -2.799 648 HG3 PRO 79 HG1 PRO 79 -13.368 -13.768 -4.258 649 HD2 PRO 79 HD2 PRO 79 -12.479 -14.393 -1.471 650 HD3 PRO 79 HD1 PRO 79 -13.282 -15.438 -2.659 651 H ASN 80 H ASN 80 -8.384 -13.656 -5.025 652 HA ASN 80 HA ASN 80 -6.646 -13.718 -2.745 653 HB2 ASN 80 HB2 ASN 80 -6.347 -14.017 -5.522 654 HB3 ASN 80 HB1 ASN 80 -5.414 -12.584 -5.103 655 HD21 ASN 80 1HD2 ASN 80 -5.592 -15.982 -4.995 656 HD22 ASN 80 2HD2 ASN 80 -4.111 -16.266 -4.152 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -0.347 11.115 11.398 2 H2 MET 1 HT2 MET 1 0.731 12.338 11.933 3 H3 MET 1 HT3 MET 1 -0.491 12.709 10.787 4 HA MET 1 HA MET 1 -0.877 13.418 13.130 5 HB2 MET 1 HB2 MET 1 -2.517 12.699 11.073 6 HB3 MET 1 HB1 MET 1 -3.118 11.660 12.358 7 HG2 MET 1 HG2 MET 1 -2.690 14.473 13.100 8 HG3 MET 1 HG1 MET 1 -3.962 14.178 11.916 9 HE1 MET 1 HE1 MET 1 -2.947 14.615 15.205 10 HE2 MET 1 HE2 MET 1 -2.964 12.970 15.840 11 HE3 MET 1 HE3 MET 1 -4.267 14.086 16.247 12 H MET 2 H MET 2 -1.849 10.031 12.561 13 HA MET 2 HA MET 2 -1.983 9.459 15.354 14 HB2 MET 2 HB2 MET 2 -3.182 8.341 13.277 15 HB3 MET 2 HB1 MET 2 -1.780 7.283 13.322 16 HG2 MET 2 HG2 MET 2 -2.659 6.113 14.974 17 HG3 MET 2 HG1 MET 2 -2.821 7.563 15.963 18 HE1 MET 2 HE1 MET 2 -4.728 6.068 12.668 19 HE2 MET 2 HE2 MET 2 -6.042 5.370 13.616 20 HE3 MET 2 HE3 MET 2 -4.376 4.883 13.925 21 H SER 3 H SER 3 0.099 8.074 12.805 22 HA SER 3 HA SER 3 2.202 7.761 14.845 23 HB2 SER 3 HB2 SER 3 0.957 5.687 13.618 24 HB3 SER 3 HB1 SER 3 2.291 5.962 12.499 25 HG SER 3 HG SER 3 3.479 4.948 13.888 26 H LEU 4 H LEU 4 1.542 8.245 11.394 27 HA LEU 4 HA LEU 4 3.778 10.067 11.209 28 HB2 LEU 4 HB2 LEU 4 4.073 8.366 8.941 29 HB3 LEU 4 HB1 LEU 4 5.252 8.761 10.184 30 HG LEU 4 HG LEU 4 4.270 6.882 11.571 31 HD11 LEU 4 1HD1 LEU 4 2.149 6.549 10.581 32 HD12 LEU 4 2HD1 LEU 4 3.107 5.123 10.189 33 HD13 LEU 4 3HD1 LEU 4 2.848 6.372 8.973 34 HD21 LEU 4 3HD2 LEU 4 6.378 6.734 10.270 35 HD22 LEU 4 1HD2 LEU 4 5.453 6.076 8.921 36 HD23 LEU 4 2HD2 LEU 4 5.542 5.191 10.443 37 H VAL 5 H VAL 5 1.957 8.116 8.866 38 HA VAL 5 HA VAL 5 1.044 10.633 7.653 39 HB VAL 5 HB VAL 5 0.876 8.228 5.987 40 HG11 VAL 5 1HG1 VAL 5 2.365 10.608 5.188 41 HG12 VAL 5 2HG1 VAL 5 0.671 10.882 5.593 42 HG13 VAL 5 3HG1 VAL 5 1.117 9.727 4.336 43 HG21 VAL 5 3HG2 VAL 5 3.587 9.372 6.643 44 HG22 VAL 5 1HG2 VAL 5 3.225 8.117 5.456 45 HG23 VAL 5 2HG2 VAL 5 3.000 7.800 7.178 46 H SER 6 H SER 6 -0.951 11.010 8.282 47 HA SER 6 HA SER 6 -2.864 8.813 8.450 48 HB2 SER 6 HB2 SER 6 -3.061 11.720 9.270 49 HB3 SER 6 HB1 SER 6 -4.383 10.562 9.415 50 HG SER 6 HG SER 6 -1.848 10.094 10.571 51 H ASP 7 H ASP 7 -5.126 9.426 7.621 52 HA ASP 7 HA ASP 7 -5.213 9.513 4.892 53 HB2 ASP 7 HB2 ASP 7 -7.572 10.156 5.088 54 HB3 ASP 7 HB1 ASP 7 -7.145 8.944 6.293 55 H GLU 8 H GLU 8 -4.621 12.156 7.013 56 HA GLU 8 HA GLU 8 -5.506 14.384 5.683 57 HB2 GLU 8 HB2 GLU 8 -2.845 14.051 7.083 58 HB3 GLU 8 HB1 GLU 8 -3.679 15.578 6.790 59 HG2 GLU 8 HG2 GLU 8 -5.278 13.590 8.227 60 HG3 GLU 8 HG1 GLU 8 -3.832 14.125 9.082 61 H GLU 9 H GLU 9 -2.228 12.991 5.326 62 HA GLU 9 HA GLU 9 -1.549 14.693 3.172 63 HB2 GLU 9 HB2 GLU 9 -0.362 12.110 4.174 64 HB3 GLU 9 HB1 GLU 9 0.315 12.996 2.814 65 HG2 GLU 9 HG2 GLU 9 -0.141 14.645 5.177 66 HG3 GLU 9 HG1 GLU 9 1.001 13.328 5.436 67 H TRP 10 H TRP 10 -3.212 11.650 3.357 68 HA TRP 10 HA TRP 10 -2.876 11.084 0.553 69 HB2 TRP 10 HB2 TRP 10 -3.039 9.290 2.304 70 HB3 TRP 10 HB1 TRP 10 -4.755 9.672 2.431 71 HD1 TRP 10 HD TRP 10 -6.335 8.773 0.551 72 HE1 TRP 10 HE1 TRP 10 -5.991 7.277 -1.506 73 HE3 TRP 10 HE3 TRP 10 -1.232 8.675 0.478 74 HZ2 TRP 10 HZ2 TRP 10 -3.832 6.167 -2.958 75 HZ3 TRP 10 HZ3 TRP 10 -0.102 7.367 -1.271 76 HH2 TRP 10 HH TRP 10 -1.374 6.141 -2.951 77 H VAL 11 H VAL 11 -5.267 12.796 2.425 78 HA VAL 11 HA VAL 11 -7.441 12.364 0.684 79 HB VAL 11 HB VAL 11 -8.120 13.229 2.753 80 HG11 VAL 11 1HG1 VAL 11 -5.906 15.216 2.416 81 HG12 VAL 11 2HG1 VAL 11 -6.189 14.078 3.734 82 HG13 VAL 11 3HG1 VAL 11 -7.225 15.493 3.553 83 HG21 VAL 11 3HG2 VAL 11 -8.813 15.701 2.131 84 HG22 VAL 11 1HG2 VAL 11 -9.542 14.309 1.326 85 HG23 VAL 11 2HG2 VAL 11 -8.239 15.203 0.536 86 H GLU 12 H GLU 12 -4.848 14.707 0.876 87 HA GLU 12 HA GLU 12 -5.756 16.353 -1.147 88 HB2 GLU 12 HB2 GLU 12 -3.355 16.069 0.360 89 HB3 GLU 12 HB1 GLU 12 -2.915 16.188 -1.337 90 HG2 GLU 12 HG2 GLU 12 -3.399 18.357 -1.424 91 HG3 GLU 12 HG1 GLU 12 -4.913 18.146 -0.545 92 H TYR 13 H TYR 13 -4.212 13.312 -1.073 93 HA TYR 13 HA TYR 13 -3.568 13.103 -3.861 94 HB2 TYR 13 HB2 TYR 13 -3.232 11.497 -1.437 95 HB3 TYR 13 HB1 TYR 13 -3.574 10.531 -2.871 96 HD1 TYR 13 HD2 TYR 13 -1.490 13.551 -2.116 97 HD2 TYR 13 HD1 TYR 13 -1.686 9.681 -3.870 98 HE1 TYR 13 HE2 TYR 13 0.859 13.755 -2.812 99 HE2 TYR 13 HE1 TYR 13 0.663 9.874 -4.572 100 HH TYR 13 HH TYR 13 2.278 12.531 -4.879 101 H LYS 14 H LYS 14 -6.096 11.798 -1.748 102 HA LYS 14 HA LYS 14 -7.386 10.071 -3.433 103 HB2 LYS 14 HB2 LYS 14 -8.580 11.951 -1.395 104 HB3 LYS 14 HB1 LYS 14 -9.469 10.647 -2.158 105 HG2 LYS 14 HG2 LYS 14 -8.102 8.992 -1.110 106 HG3 LYS 14 HG1 LYS 14 -6.967 10.220 -0.551 107 HD2 LYS 14 HD2 LYS 14 -9.403 11.059 0.464 108 HD3 LYS 14 HD1 LYS 14 -9.453 9.304 0.640 109 HE2 LYS 14 HE2 LYS 14 -6.943 10.642 1.441 110 HE3 LYS 14 HE1 LYS 14 -8.349 10.946 2.456 111 HZ1 LYS 14 HZ1 LYS 14 -8.339 8.857 3.231 112 HZ2 LYS 14 HZ2 LYS 14 -6.723 8.849 2.734 113 HZ3 LYS 14 HZ3 LYS 14 -7.915 8.174 1.743 114 H SER 15 H SER 15 -7.528 13.578 -3.501 115 HA SER 15 HA SER 15 -9.769 13.746 -5.252 116 HB2 SER 15 HB2 SER 15 -7.615 15.818 -4.840 117 HB3 SER 15 HB1 SER 15 -9.284 16.088 -5.344 118 HG SER 15 HG SER 15 -9.818 15.152 -3.196 119 H LYS 16 H LYS 16 -6.286 13.813 -5.479 120 HA LYS 16 HA LYS 16 -6.330 14.169 -8.292 121 HB2 LYS 16 HB2 LYS 16 -4.550 15.096 -6.797 122 HB3 LYS 16 HB1 LYS 16 -3.966 13.452 -6.576 123 HG2 LYS 16 HG2 LYS 16 -3.613 13.306 -9.026 124 HG3 LYS 16 HG1 LYS 16 -4.054 15.011 -9.148 125 HD2 LYS 16 HD2 LYS 16 -2.159 15.705 -7.963 126 HD3 LYS 16 HD1 LYS 16 -1.871 14.093 -7.304 127 HE2 LYS 16 HE2 LYS 16 -0.332 13.938 -8.929 128 HE3 LYS 16 HE1 LYS 16 -1.713 13.620 -9.978 129 HZ1 LYS 16 HZ1 LYS 16 -1.798 15.973 -10.519 130 HZ2 LYS 16 HZ2 LYS 16 -0.277 15.334 -10.891 131 HZ3 LYS 16 HZ3 LYS 16 -0.479 16.280 -9.504 132 H PHE 17 H PHE 17 -6.776 11.531 -6.330 133 HA PHE 17 HA PHE 17 -5.629 9.667 -8.293 134 HB2 PHE 17 HB2 PHE 17 -5.778 9.657 -5.427 135 HB3 PHE 17 HB1 PHE 17 -6.590 8.228 -6.060 136 HD1 PHE 17 HD1 PHE 17 -5.248 7.001 -7.990 137 HD2 PHE 17 HD2 PHE 17 -3.524 9.528 -5.032 138 HE1 PHE 17 HE1 PHE 17 -3.069 5.915 -8.339 139 HE2 PHE 17 HE2 PHE 17 -1.340 8.448 -5.377 140 HZ PHE 17 HZ PHE 17 -1.110 6.639 -7.032 141 H ASP 18 H ASP 18 -8.619 10.925 -7.234 142 HA ASP 18 HA ASP 18 -10.747 10.542 -7.964 143 HB2 ASP 18 HB2 ASP 18 -9.139 9.332 -9.979 144 HB3 ASP 18 HB1 ASP 18 -10.488 8.250 -9.651 145 H LYS 19 H LYS 19 -9.049 8.693 -6.012 146 HA LYS 19 HA LYS 19 -11.314 6.928 -5.407 147 HB2 LYS 19 HB2 LYS 19 -9.532 5.237 -4.639 148 HB3 LYS 19 HB1 LYS 19 -9.823 5.382 -6.366 149 HG2 LYS 19 HG2 LYS 19 -7.828 6.562 -6.716 150 HG3 LYS 19 HG1 LYS 19 -7.629 6.898 -4.995 151 HD2 LYS 19 HD2 LYS 19 -7.571 4.280 -4.815 152 HD3 LYS 19 HD1 LYS 19 -7.111 4.386 -6.516 153 HE2 LYS 19 HE2 LYS 19 -5.062 5.160 -6.034 154 HE3 LYS 19 HE1 LYS 19 -5.664 6.241 -4.778 155 HZ1 LYS 19 HZ1 LYS 19 -4.167 4.163 -4.225 156 HZ2 LYS 19 HZ2 LYS 19 -5.663 3.376 -4.206 157 HZ3 LYS 19 HZ3 LYS 19 -5.384 4.685 -3.172 158 H ASN 20 H ASN 20 -11.966 8.277 -3.749 159 HA ASN 20 HA ASN 20 -10.017 8.926 -1.677 160 HB2 ASN 20 HB2 ASN 20 -11.687 10.509 -0.854 161 HB3 ASN 20 HB1 ASN 20 -11.380 10.756 -2.570 162 HD21 ASN 20 1HD2 ASN 20 -13.732 10.698 -0.347 163 HD22 ASN 20 2HD2 ASN 20 -15.078 10.244 -1.329 164 H TYR 21 H TYR 21 -9.781 7.512 -0.101 165 HA TYR 21 HA TYR 21 -12.210 6.310 1.056 166 HB2 TYR 21 HB2 TYR 21 -10.365 4.622 1.976 167 HB3 TYR 21 HB1 TYR 21 -11.129 4.387 0.406 168 HD1 TYR 21 HD2 TYR 21 -8.167 5.698 2.109 169 HD2 TYR 21 HD1 TYR 21 -9.807 4.410 -1.583 170 HE1 TYR 21 HE2 TYR 21 -5.951 5.715 1.127 171 HE2 TYR 21 HE1 TYR 21 -7.557 4.440 -2.592 172 HH TYR 21 HH TYR 21 -4.902 4.278 -1.139 173 H GLU 22 H GLU 22 -12.712 7.276 2.796 174 HA GLU 22 HA GLU 22 -11.108 9.059 4.249 175 HB2 GLU 22 HB2 GLU 22 -13.819 8.471 4.013 176 HB3 GLU 22 HB1 GLU 22 -13.447 8.217 5.712 177 HG2 GLU 22 HG2 GLU 22 -12.222 10.639 4.775 178 HG3 GLU 22 HG1 GLU 22 -13.946 10.638 4.412 179 H ALA 23 H ALA 23 -11.377 9.039 6.720 180 HA ALA 23 HA ALA 23 -9.438 7.596 7.888 181 HB1 ALA 23 HB1 ALA 23 -11.851 8.943 8.929 182 HB2 ALA 23 HB2 ALA 23 -10.145 9.265 9.234 183 HB3 ALA 23 HB3 ALA 23 -10.945 7.915 10.038 184 H GLU 24 H GLU 24 -12.861 6.532 7.760 185 HA GLU 24 HA GLU 24 -12.671 4.351 9.448 186 HB2 GLU 24 HB2 GLU 24 -14.283 4.697 6.918 187 HB3 GLU 24 HB1 GLU 24 -14.476 3.320 7.994 188 HG2 GLU 24 HG2 GLU 24 -16.129 4.679 8.768 189 HG3 GLU 24 HG1 GLU 24 -14.799 5.183 9.809 190 H GLU 25 H GLU 25 -12.222 4.303 5.910 191 HA GLU 25 HA GLU 25 -11.108 1.653 5.944 192 HB2 GLU 25 HB2 GLU 25 -12.034 3.519 3.968 193 HB3 GLU 25 HB1 GLU 25 -10.419 2.978 3.533 194 HG2 GLU 25 HG2 GLU 25 -11.276 0.617 3.893 195 HG3 GLU 25 HG1 GLU 25 -12.889 1.326 3.931 196 H ASP 26 H ASP 26 -9.958 4.928 5.930 197 HA ASP 26 HA ASP 26 -7.294 4.584 5.233 198 HB2 ASP 26 HB2 ASP 26 -8.797 6.605 6.800 199 HB3 ASP 26 HB1 ASP 26 -7.044 6.693 6.771 200 H LEU 27 H LEU 27 -8.862 4.124 8.356 201 HA LEU 27 HA LEU 27 -6.778 4.336 10.098 202 HB2 LEU 27 HB2 LEU 27 -9.316 3.534 10.259 203 HB3 LEU 27 HB1 LEU 27 -8.531 1.970 10.425 204 HG LEU 27 HG LEU 27 -7.303 3.957 12.126 205 HD11 LEU 27 1HD1 LEU 27 -10.247 3.775 12.103 206 HD12 LEU 27 2HD1 LEU 27 -9.193 5.089 12.624 207 HD13 LEU 27 3HD1 LEU 27 -9.469 3.707 13.684 208 HD21 LEU 27 3HD2 LEU 27 -8.364 1.198 12.301 209 HD22 LEU 27 1HD2 LEU 27 -8.200 2.105 13.805 210 HD23 LEU 27 2HD2 LEU 27 -6.792 1.841 12.777 211 H MET 28 H MET 28 -7.671 1.329 8.393 212 HA MET 28 HA MET 28 -5.343 -0.076 9.247 213 HB2 MET 28 HB2 MET 28 -5.939 -1.703 7.475 214 HB3 MET 28 HB1 MET 28 -7.305 -1.316 8.513 215 HG2 MET 28 HG2 MET 28 -8.143 0.233 6.806 216 HG3 MET 28 HG1 MET 28 -6.793 -0.206 5.762 217 HE1 MET 28 HE1 MET 28 -9.556 -3.241 7.531 218 HE2 MET 28 HE2 MET 28 -10.572 -1.949 6.892 219 HE3 MET 28 HE3 MET 28 -9.309 -1.578 8.067 220 H ARG 29 H ARG 29 -6.149 2.105 6.705 221 HA ARG 29 HA ARG 29 -3.901 1.596 5.050 222 HB2 ARG 29 HB2 ARG 29 -5.954 3.688 5.222 223 HB3 ARG 29 HB1 ARG 29 -4.577 3.976 4.205 224 HG2 ARG 29 HG2 ARG 29 -5.204 2.394 2.665 225 HG3 ARG 29 HG1 ARG 29 -6.084 1.433 3.866 226 HD2 ARG 29 HD2 ARG 29 -7.950 2.868 3.797 227 HD3 ARG 29 HD1 ARG 29 -7.038 4.147 3.001 228 HE ARG 29 HE ARG 29 -7.199 2.982 0.972 229 HH11 ARG 29 1HH1 ARG 29 -8.924 1.370 3.549 230 HH12 ARG 29 2HH1 ARG 29 -9.716 0.258 2.487 231 HH21 ARG 29 1HH2 ARG 29 -8.207 1.479 -0.415 232 HH22 ARG 29 2HH2 ARG 29 -9.309 0.317 0.242 233 H ARG 30 H ARG 30 -4.518 3.525 7.866 234 HA ARG 30 HA ARG 30 -2.638 5.543 7.678 235 HB2 ARG 30 HB2 ARG 30 -3.379 3.896 10.115 236 HB3 ARG 30 HB1 ARG 30 -2.484 5.408 10.168 237 HG2 ARG 30 HG2 ARG 30 -5.280 5.113 9.097 238 HG3 ARG 30 HG1 ARG 30 -4.874 5.654 10.723 239 HD2 ARG 30 HD2 ARG 30 -3.591 7.521 9.738 240 HD3 ARG 30 HD1 ARG 30 -4.116 7.002 8.137 241 HE ARG 30 HE ARG 30 -6.172 7.933 8.540 242 HH11 ARG 30 1HH1 ARG 30 -4.409 7.716 11.544 243 HH12 ARG 30 2HH1 ARG 30 -5.557 8.662 12.431 244 HH21 ARG 30 1HH2 ARG 30 -7.683 9.178 9.704 245 HH22 ARG 30 2HH2 ARG 30 -7.416 9.491 11.386 246 H ARG 31 H ARG 31 -2.315 2.157 8.491 247 HA ARG 31 HA ARG 31 0.454 2.233 9.149 248 HB2 ARG 31 HB2 ARG 31 -1.085 -0.185 8.217 249 HB3 ARG 31 HB1 ARG 31 0.341 -0.143 9.244 250 HG2 ARG 31 HG2 ARG 31 -2.126 1.226 10.186 251 HG3 ARG 31 HG1 ARG 31 -2.054 -0.536 10.241 252 HD2 ARG 31 HD2 ARG 31 -1.143 -0.132 12.272 253 HD3 ARG 31 HD1 ARG 31 0.330 0.024 11.316 254 HE ARG 31 HE ARG 31 -0.811 2.538 11.398 255 HH11 ARG 31 1HH1 ARG 31 0.438 0.229 13.697 256 HH12 ARG 31 2HH1 ARG 31 0.933 1.439 14.833 257 HH21 ARG 31 1HH2 ARG 31 -0.161 4.132 12.892 258 HH22 ARG 31 2HH2 ARG 31 0.592 3.654 14.376 259 H ILE 32 H ILE 32 -1.366 1.723 6.126 260 HA ILE 32 HA ILE 32 1.048 0.889 4.738 261 HB ILE 32 HB ILE 32 -0.609 -0.139 3.654 262 HG12 ILE 32 2HG1 ILE 32 -1.248 0.966 1.598 263 HG13 ILE 32 1HG1 ILE 32 -0.737 2.503 2.300 264 HG21 ILE 32 1HG2 ILE 32 -2.409 0.517 4.981 265 HG22 ILE 32 2HG2 ILE 32 -2.856 0.743 3.291 266 HG23 ILE 32 3HG2 ILE 32 -2.392 2.130 4.272 267 HD11 ILE 32 3HD1 ILE 32 1.338 2.122 1.680 268 HD12 ILE 32 1HD1 ILE 32 0.713 0.697 0.874 269 HD13 ILE 32 2HD1 ILE 32 1.338 0.566 2.506 270 H TYR 33 H TYR 33 -0.813 3.716 5.249 271 HA TYR 33 HA TYR 33 0.429 5.273 3.342 272 HB2 TYR 33 HB2 TYR 33 -1.628 5.881 4.797 273 HB3 TYR 33 HB1 TYR 33 -0.424 6.496 5.932 274 HD1 TYR 33 HD2 TYR 33 0.966 6.802 2.786 275 HD2 TYR 33 HD1 TYR 33 -1.991 8.604 5.250 276 HE1 TYR 33 HE2 TYR 33 1.116 8.827 1.446 277 HE2 TYR 33 HE1 TYR 33 -1.820 10.674 3.935 278 HH TYR 33 HH TYR 33 -0.543 10.881 0.971 279 H ALA 34 H ALA 34 1.430 4.237 6.493 280 HA ALA 34 HA ALA 34 3.402 6.053 7.106 281 HB1 ALA 34 HB1 ALA 34 3.744 3.122 7.599 282 HB2 ALA 34 HB2 ALA 34 2.578 4.095 8.496 283 HB3 ALA 34 HB3 ALA 34 4.298 4.471 8.591 284 H GLU 35 H GLU 35 3.729 3.123 5.220 285 HA GLU 35 HA GLU 35 6.446 3.357 4.612 286 HB2 GLU 35 HB2 GLU 35 5.681 2.072 2.453 287 HB3 GLU 35 HB1 GLU 35 5.632 1.295 4.031 288 HG2 GLU 35 HG2 GLU 35 3.195 2.707 3.617 289 HG3 GLU 35 HG1 GLU 35 3.530 1.681 2.203 290 H SER 36 H SER 36 3.669 4.991 3.205 291 HA SER 36 HA SER 36 4.545 5.718 0.720 292 HB2 SER 36 HB2 SER 36 2.751 6.930 2.696 293 HB3 SER 36 HB1 SER 36 3.456 8.097 1.588 294 HG SER 36 HG SER 36 1.586 6.147 1.138 295 H LYS 37 H LYS 37 5.209 7.597 3.702 296 HA LYS 37 HA LYS 37 6.929 9.420 2.412 297 HB2 LYS 37 HB2 LYS 37 7.469 8.664 5.223 298 HB3 LYS 37 HB1 LYS 37 7.465 10.254 4.487 299 HG2 LYS 37 HG2 LYS 37 5.158 8.642 5.494 300 HG3 LYS 37 HG1 LYS 37 5.608 10.301 5.879 301 HD2 LYS 37 HD2 LYS 37 5.016 9.899 3.044 302 HD3 LYS 37 HD1 LYS 37 3.653 9.526 4.096 303 HE2 LYS 37 HE2 LYS 37 4.173 11.786 5.210 304 HE3 LYS 37 HE1 LYS 37 5.133 12.113 3.767 305 HZ1 LYS 37 HZ1 LYS 37 3.272 12.721 2.756 306 HZ2 LYS 37 HZ2 LYS 37 2.338 12.293 4.100 307 HZ3 LYS 37 HZ3 LYS 37 2.673 11.146 2.904 308 H ALA 38 H ALA 38 7.507 6.305 3.990 309 HA ALA 38 HA ALA 38 10.283 6.224 3.901 310 HB1 ALA 38 HB1 ALA 38 9.563 3.648 3.275 311 HB2 ALA 38 HB2 ALA 38 8.131 4.276 4.093 312 HB3 ALA 38 HB3 ALA 38 9.697 4.308 4.905 313 H ARG 39 H ARG 39 7.880 5.622 1.514 314 HA ARG 39 HA ARG 39 9.606 4.810 -0.591 315 HB2 ARG 39 HB2 ARG 39 6.883 6.018 -0.845 316 HB3 ARG 39 HB1 ARG 39 7.650 4.854 -1.927 317 HG2 ARG 39 HG2 ARG 39 7.469 3.856 0.789 318 HG3 ARG 39 HG1 ARG 39 5.878 4.282 0.128 319 HD2 ARG 39 HD2 ARG 39 6.856 2.973 -1.980 320 HD3 ARG 39 HD1 ARG 39 7.793 2.176 -0.717 321 HE ARG 39 HE ARG 39 4.977 2.311 -0.158 322 HH11 ARG 39 1HH1 ARG 39 7.493 0.490 -1.749 323 HH12 ARG 39 2HH1 ARG 39 6.612 -1.001 -1.708 324 HH21 ARG 39 1HH2 ARG 39 3.819 0.351 -0.101 325 HH22 ARG 39 2HH2 ARG 39 4.526 -1.080 -0.773 326 H ILE 40 H ILE 40 8.321 7.844 0.600 327 HA ILE 40 HA ILE 40 9.016 9.351 -1.708 328 HB ILE 40 HB ILE 40 8.493 10.222 1.123 329 HG12 ILE 40 2HG1 ILE 40 6.386 9.678 0.557 330 HG13 ILE 40 1HG1 ILE 40 6.423 11.030 -0.560 331 HG21 ILE 40 1HG2 ILE 40 9.863 11.828 -0.298 332 HG22 ILE 40 2HG2 ILE 40 8.362 12.457 0.381 333 HG23 ILE 40 3HG2 ILE 40 8.430 11.981 -1.315 334 HD11 ILE 40 3HD1 ILE 40 5.661 8.726 -1.416 335 HD12 ILE 40 1HD1 ILE 40 7.381 8.293 -1.417 336 HD13 ILE 40 2HD1 ILE 40 6.793 9.650 -2.398 337 H GLU 41 H GLU 41 10.589 8.305 1.124 338 HA GLU 41 HA GLU 41 12.999 9.847 0.825 339 HB2 GLU 41 HB2 GLU 41 11.913 8.245 2.824 340 HB3 GLU 41 HB1 GLU 41 13.273 7.299 2.236 341 HG2 GLU 41 HG2 GLU 41 14.504 9.637 2.469 342 HG3 GLU 41 HG1 GLU 41 13.233 9.892 3.664 343 H GLU 42 H GLU 42 11.616 7.003 -0.428 344 HA GLU 42 HA GLU 42 13.588 5.282 -1.162 345 HB2 GLU 42 HB2 GLU 42 11.117 5.026 -1.443 346 HB3 GLU 42 HB1 GLU 42 11.186 6.192 -2.731 347 HG2 GLU 42 HG2 GLU 42 11.547 4.678 -4.222 348 HG3 GLU 42 HG1 GLU 42 13.018 4.148 -3.383 349 H HIS 43 H HIS 43 12.143 7.516 -3.531 350 HA HIS 43 HA HIS 43 14.356 7.144 -5.324 351 HB2 HIS 43 HB2 HIS 43 11.790 8.671 -5.428 352 HB3 HIS 43 HB1 HIS 43 12.988 8.814 -6.707 353 HD1 HIS 43 HD1 HIS 43 13.462 6.628 -8.113 354 HD2 HIS 43 HD2 HIS 43 10.242 6.389 -5.497 355 HE1 HIS 43 HE1 HIS 43 12.159 4.601 -8.832 356 HE2 HIS 43 HE2 HIS 43 10.274 4.418 -7.171 357 H ASN 44 H ASN 44 13.207 9.638 -3.197 358 HA ASN 44 HA ASN 44 14.663 11.764 -4.237 359 HB2 ASN 44 HB2 ASN 44 13.139 11.199 -1.841 360 HB3 ASN 44 HB1 ASN 44 14.476 12.316 -1.551 361 HD21 ASN 44 1HD2 ASN 44 14.464 14.302 -2.468 362 HD22 ASN 44 2HD2 ASN 44 13.092 14.968 -3.287 363 H ARG 45 H ARG 45 15.620 9.140 -2.209 364 HA ARG 45 HA ARG 45 18.168 10.362 -1.529 365 HB2 ARG 45 HB2 ARG 45 16.683 7.906 -0.763 366 HB3 ARG 45 HB1 ARG 45 18.437 7.861 -0.634 367 HG2 ARG 45 HG2 ARG 45 16.578 9.802 0.725 368 HG3 ARG 45 HG1 ARG 45 17.481 8.488 1.483 369 HD2 ARG 45 HD2 ARG 45 19.365 10.033 0.082 370 HD3 ARG 45 HD1 ARG 45 18.312 11.177 0.913 371 HE ARG 45 HE ARG 45 19.170 10.469 2.919 372 HH11 ARG 45 1HH1 ARG 45 20.110 8.224 0.418 373 HH12 ARG 45 2HH1 ARG 45 21.218 7.364 1.433 374 HH21 ARG 45 1HH2 ARG 45 20.625 9.338 4.256 375 HH22 ARG 45 2HH2 ARG 45 21.510 7.995 3.612 376 H LYS 46 H LYS 46 16.812 8.412 -3.947 377 HA LYS 46 HA LYS 46 18.988 6.800 -4.726 378 HB2 LYS 46 HB2 LYS 46 16.319 7.373 -5.429 379 HB3 LYS 46 HB1 LYS 46 17.268 7.371 -6.892 380 HG2 LYS 46 HG2 LYS 46 17.977 5.140 -6.571 381 HG3 LYS 46 HG1 LYS 46 17.390 5.130 -4.906 382 HD2 LYS 46 HD2 LYS 46 15.186 5.793 -6.535 383 HD3 LYS 46 HD1 LYS 46 16.006 4.443 -7.321 384 HE2 LYS 46 HE2 LYS 46 15.736 3.047 -5.465 385 HE3 LYS 46 HE1 LYS 46 15.401 4.399 -4.384 386 HZ1 LYS 46 HZ1 LYS 46 13.425 3.049 -5.009 387 HZ2 LYS 46 HZ2 LYS 46 13.603 3.590 -6.601 388 HZ3 LYS 46 HZ3 LYS 46 13.274 4.697 -5.365 389 H PHE 47 H PHE 47 17.732 9.721 -6.432 390 HA PHE 47 HA PHE 47 19.995 9.881 -8.161 391 HB2 PHE 47 HB2 PHE 47 19.239 12.174 -8.662 392 HB3 PHE 47 HB1 PHE 47 17.936 11.009 -8.857 393 HD1 PHE 47 HD2 PHE 47 16.106 10.952 -7.353 394 HD2 PHE 47 HD1 PHE 47 19.163 13.860 -6.941 395 HE1 PHE 47 HE2 PHE 47 14.618 12.295 -5.920 396 HE2 PHE 47 HE1 PHE 47 17.699 15.212 -5.495 397 HZ PHE 47 HZ PHE 47 15.419 14.429 -4.982 398 H GLU 48 H GLU 48 18.903 10.942 -5.173 399 HA GLU 48 HA GLU 48 20.691 12.829 -4.361 400 HB2 GLU 48 HB2 GLU 48 18.702 11.090 -3.329 401 HB3 GLU 48 HB1 GLU 48 20.124 10.945 -2.273 402 HG2 GLU 48 HG2 GLU 48 18.944 13.606 -3.028 403 HG3 GLU 48 HG1 GLU 48 18.411 12.688 -1.620 404 H LYS 49 H LYS 49 21.184 9.605 -5.297 405 HA LYS 49 HA LYS 49 23.732 9.357 -3.902 406 HB2 LYS 49 HB2 LYS 49 21.952 7.338 -5.205 407 HB3 LYS 49 HB1 LYS 49 23.622 6.975 -4.807 408 HG2 LYS 49 HG2 LYS 49 22.303 8.126 -2.535 409 HG3 LYS 49 HG1 LYS 49 21.378 6.756 -3.151 410 HD2 LYS 49 HD2 LYS 49 23.773 5.639 -3.243 411 HD3 LYS 49 HD1 LYS 49 24.120 6.839 -1.996 412 HE2 LYS 49 HE2 LYS 49 22.281 6.007 -0.648 413 HE3 LYS 49 HE1 LYS 49 21.847 4.857 -1.912 414 HZ1 LYS 49 HZ1 LYS 49 23.198 3.432 -0.911 415 HZ2 LYS 49 HZ2 LYS 49 23.795 4.614 0.141 416 HZ3 LYS 49 HZ3 LYS 49 24.509 4.396 -1.378 417 H GLY 50 H GLY 50 23.012 10.972 -6.427 418 HA2 GLY 50 HA2 GLY 50 23.972 11.393 -8.497 419 HA3 GLY 50 HA1 GLY 50 25.442 10.711 -7.791 420 H GLU 51 H GLU 51 22.467 9.056 -7.975 421 HA GLU 51 HA GLU 51 23.622 6.865 -9.437 422 HB2 GLU 51 HB2 GLU 51 21.758 7.288 -7.346 423 HB3 GLU 51 HB1 GLU 51 20.848 6.573 -8.696 424 HG2 GLU 51 HG2 GLU 51 23.351 5.192 -8.315 425 HG3 GLU 51 HG1 GLU 51 22.416 5.236 -6.821 426 H VAL 52 H VAL 52 20.537 8.619 -9.646 427 HA VAL 52 HA VAL 52 20.622 8.867 -12.511 428 HB VAL 52 HB VAL 52 19.219 7.183 -13.048 429 HG11 VAL 52 1HG1 VAL 52 19.221 6.484 -10.141 430 HG12 VAL 52 2HG1 VAL 52 20.392 5.912 -11.335 431 HG13 VAL 52 3HG1 VAL 52 18.701 5.410 -11.441 432 HG21 VAL 52 3HG2 VAL 52 17.001 6.897 -11.761 433 HG22 VAL 52 1HG2 VAL 52 17.250 8.333 -12.747 434 HG23 VAL 52 2HG2 VAL 52 17.446 8.424 -10.991 435 H THR 53 H THR 53 18.306 9.897 -13.047 436 HA THR 53 HA THR 53 17.710 11.496 -10.661 437 HB THR 53 HB THR 53 18.661 12.688 -12.580 438 HG1 THR 53 HG1 THR 53 17.135 13.640 -11.038 439 HG21 THR 53 3HG2 THR 53 17.694 12.901 -14.627 440 HG22 THR 53 1HG2 THR 53 16.068 12.590 -14.020 441 HG23 THR 53 2HG2 THR 53 17.197 11.253 -14.244 442 H TRP 54 H TRP 54 16.339 10.182 -9.787 443 HA TRP 54 HA TRP 54 13.691 9.935 -11.009 444 HB2 TRP 54 HB2 TRP 54 13.539 7.625 -9.843 445 HB3 TRP 54 HB1 TRP 54 14.362 7.741 -11.389 446 HD1 TRP 54 HD TRP 54 16.642 9.019 -8.770 447 HE1 TRP 54 HE1 TRP 54 18.389 7.235 -8.156 448 HE3 TRP 54 HE3 TRP 54 14.428 4.956 -10.945 449 HZ2 TRP 54 HZ2 TRP 54 18.751 4.456 -8.511 450 HZ3 TRP 54 HZ3 TRP 54 15.535 2.768 -10.748 451 HH2 TRP 54 HH TRP 54 17.652 2.524 -9.556 452 H LYS 55 H LYS 55 12.102 10.559 -9.689 453 HA LYS 55 HA LYS 55 12.717 10.796 -6.824 454 HB2 LYS 55 HB2 LYS 55 10.482 12.380 -7.206 455 HB3 LYS 55 HB1 LYS 55 12.142 12.922 -6.932 456 HG2 LYS 55 HG2 LYS 55 12.463 12.695 -9.431 457 HG3 LYS 55 HG1 LYS 55 10.701 12.656 -9.538 458 HD2 LYS 55 HD2 LYS 55 11.274 14.921 -9.836 459 HD3 LYS 55 HD1 LYS 55 10.749 14.806 -8.156 460 HE2 LYS 55 HE2 LYS 55 12.845 15.153 -7.333 461 HE3 LYS 55 HE1 LYS 55 13.632 14.401 -8.720 462 HZ1 LYS 55 HZ1 LYS 55 14.122 16.659 -8.896 463 HZ2 LYS 55 HZ2 LYS 55 12.552 17.143 -8.490 464 HZ3 LYS 55 HZ3 LYS 55 12.855 16.436 -9.997 465 H MET 56 H MET 56 11.061 10.646 -5.384 466 HA MET 56 HA MET 56 9.555 8.267 -5.578 467 HB2 MET 56 HB2 MET 56 8.288 9.655 -3.636 468 HB3 MET 56 HB1 MET 56 9.782 8.772 -3.367 469 HG2 MET 56 HG2 MET 56 9.789 11.014 -2.388 470 HG3 MET 56 HG1 MET 56 11.031 10.832 -3.621 471 HE1 MET 56 HE1 MET 56 6.961 12.725 -4.414 472 HE2 MET 56 HE2 MET 56 7.613 13.066 -2.811 473 HE3 MET 56 HE3 MET 56 7.350 11.398 -3.320 474 H GLY 57 H GLY 57 7.003 8.431 -5.039 475 HA2 GLY 57 HA2 GLY 57 5.700 10.681 -6.280 476 HA3 GLY 57 HA1 GLY 57 5.590 9.188 -7.200 477 H ILE 58 H ILE 58 5.731 8.436 -3.925 478 HA ILE 58 HA ILE 58 4.177 7.672 -2.429 479 HB ILE 58 HB ILE 58 2.545 9.753 -3.820 480 HG12 ILE 58 2HG1 ILE 58 4.711 10.349 -2.478 481 HG13 ILE 58 1HG1 ILE 58 3.264 11.324 -2.262 482 HG21 ILE 58 1HG2 ILE 58 1.230 9.693 -1.589 483 HG22 ILE 58 2HG2 ILE 58 1.951 8.095 -1.403 484 HG23 ILE 58 3HG2 ILE 58 0.925 8.442 -2.795 485 HD11 ILE 58 3HD1 ILE 58 4.487 10.731 -0.164 486 HD12 ILE 58 1HD1 ILE 58 4.013 9.053 -0.436 487 HD13 ILE 58 2HD1 ILE 58 2.780 10.289 -0.182 488 H ASN 59 H ASN 59 3.942 5.611 -3.348 489 HA ASN 59 HA ASN 59 2.491 5.277 -5.676 490 HB2 ASN 59 HB2 ASN 59 2.924 3.128 -3.592 491 HB3 ASN 59 HB1 ASN 59 2.637 2.889 -5.312 492 HD21 ASN 59 1HD2 ASN 59 4.279 3.466 -6.793 493 HD22 ASN 59 2HD2 ASN 59 5.931 3.552 -6.294 494 H HIS 60 H HIS 60 0.428 4.279 -6.044 495 HA HIS 60 HA HIS 60 -1.686 5.418 -4.687 496 HB2 HIS 60 HB2 HIS 60 -3.074 3.579 -5.789 497 HB3 HIS 60 HB1 HIS 60 -2.115 4.600 -6.853 498 HD1 HIS 60 HD1 HIS 60 -2.525 1.100 -5.721 499 HD2 HIS 60 HD2 HIS 60 0.137 3.309 -8.024 500 HE1 HIS 60 HE1 HIS 60 -1.143 -0.595 -6.964 501 HE2 HIS 60 HE2 HIS 60 0.415 0.765 -8.401 502 H LEU 61 H LEU 61 -0.651 1.985 -4.418 503 HA LEU 61 HA LEU 61 -2.456 1.545 -2.286 504 HB2 LEU 61 HB2 LEU 61 -1.503 -0.559 -1.931 505 HB3 LEU 61 HB1 LEU 61 -1.559 -0.311 -3.666 506 HG LEU 61 HG LEU 61 0.478 -1.438 -2.503 507 HD11 LEU 61 1HD1 LEU 61 0.064 -0.429 -4.946 508 HD12 LEU 61 2HD1 LEU 61 1.580 -1.183 -4.452 509 HD13 LEU 61 3HD1 LEU 61 1.424 0.574 -4.438 510 HD21 LEU 61 3HD2 LEU 61 2.288 -0.066 -1.872 511 HD22 LEU 61 1HD2 LEU 61 0.891 0.456 -0.933 512 HD23 LEU 61 2HD2 LEU 61 1.432 1.400 -2.328 513 H ALA 62 H ALA 62 0.354 3.373 -2.309 514 HA ALA 62 HA ALA 62 1.510 2.526 0.074 515 HB1 ALA 62 HB1 ALA 62 2.560 4.615 0.328 516 HB2 ALA 62 HB2 ALA 62 1.510 5.355 -0.901 517 HB3 ALA 62 HB3 ALA 62 2.668 4.100 -1.365 518 H ASP 63 H ASP 63 -1.558 3.428 -0.298 519 HA ASP 63 HA ASP 63 -1.696 4.407 2.440 520 HB2 ASP 63 HB2 ASP 63 -2.418 5.922 0.455 521 HB3 ASP 63 HB1 ASP 63 -3.836 4.896 0.378 522 H LEU 64 H LEU 64 -2.630 2.253 -0.055 523 HA LEU 64 HA LEU 64 -3.927 0.638 1.992 524 HB2 LEU 64 HB2 LEU 64 -5.577 -0.061 0.381 525 HB3 LEU 64 HB1 LEU 64 -5.736 1.636 0.786 526 HG LEU 64 HG LEU 64 -4.111 1.813 -1.347 527 HD11 LEU 64 1HD1 LEU 64 -3.935 -0.156 -2.269 528 HD12 LEU 64 2HD1 LEU 64 -5.493 0.247 -3.005 529 HD13 LEU 64 3HD1 LEU 64 -5.430 -0.779 -1.567 530 HD21 LEU 64 3HD2 LEU 64 -5.811 2.965 -2.263 531 HD22 LEU 64 1HD2 LEU 64 -6.624 2.633 -0.736 532 HD23 LEU 64 2HD2 LEU 64 -6.929 1.608 -2.135 533 H THR 65 H THR 65 -2.244 -0.631 2.084 534 HA THR 65 HA THR 65 -1.458 -2.132 -0.312 535 HB THR 65 HB THR 65 0.257 -2.973 1.711 536 HG1 THR 65 HG1 THR 65 0.812 -1.327 2.909 537 HG21 THR 65 3HG2 THR 65 1.587 -0.834 0.532 538 HG22 THR 65 1HG2 THR 65 0.484 -1.456 -0.689 539 HG23 THR 65 2HG2 THR 65 1.650 -2.533 0.069 540 HA PRO 66 HA PRO 66 -2.762 -6.278 1.090 541 HB2 PRO 66 HB2 PRO 66 -0.652 -7.032 2.829 542 HB3 PRO 66 HB1 PRO 66 -0.803 -7.463 1.117 543 HG2 PRO 66 HG2 PRO 66 0.557 -5.079 2.355 544 HG3 PRO 66 HG1 PRO 66 1.204 -6.198 1.111 545 HD2 PRO 66 HD2 PRO 66 0.305 -3.952 0.244 546 HD3 PRO 66 HD1 PRO 66 -0.462 -5.388 -0.475 547 H GLU 67 H GLU 67 -1.330 -4.023 3.379 548 HA GLU 67 HA GLU 67 -2.392 -4.915 5.819 549 HB2 GLU 67 HB2 GLU 67 -2.566 -1.985 5.247 550 HB3 GLU 67 HB1 GLU 67 -1.785 -2.810 6.614 551 HG2 GLU 67 HG2 GLU 67 -0.735 -2.192 3.885 552 HG3 GLU 67 HG1 GLU 67 -0.091 -1.698 5.452 553 H GLU 68 H GLU 68 -3.446 -2.550 3.546 554 HA GLU 68 HA GLU 68 -6.146 -2.337 4.523 555 HB2 GLU 68 HB2 GLU 68 -4.992 -0.406 3.618 556 HB3 GLU 68 HB1 GLU 68 -4.764 -1.233 2.084 557 HG2 GLU 68 HG2 GLU 68 -7.511 -0.801 3.170 558 HG3 GLU 68 HG1 GLU 68 -6.657 0.471 2.291 559 H PHE 69 H PHE 69 -4.550 -3.465 1.630 560 HA PHE 69 HA PHE 69 -6.636 -4.303 0.079 561 HB2 PHE 69 HB2 PHE 69 -3.759 -4.892 0.316 562 HB3 PHE 69 HB1 PHE 69 -4.689 -6.114 -0.536 563 HD1 PHE 69 HD1 PHE 69 -6.182 -5.300 -2.447 564 HD2 PHE 69 HD2 PHE 69 -2.972 -2.961 -0.825 565 HE1 PHE 69 HE1 PHE 69 -6.085 -3.985 -4.521 566 HE2 PHE 69 HE2 PHE 69 -2.894 -1.668 -2.908 567 HZ PHE 69 HZ PHE 69 -4.442 -2.169 -4.751 568 H ALA 70 H ALA 70 -4.851 -6.251 2.469 569 HA ALA 70 HA ALA 70 -6.556 -8.535 2.049 570 HB1 ALA 70 HB1 ALA 70 -5.126 -9.710 3.454 571 HB2 ALA 70 HB2 ALA 70 -4.623 -8.256 4.317 572 HB3 ALA 70 HB3 ALA 70 -4.065 -8.542 2.669 573 H GLN 71 H GLN 71 -6.527 -5.811 4.193 574 HA GLN 71 HA GLN 71 -8.417 -7.133 6.000 575 HB2 GLN 71 HB2 GLN 71 -7.013 -4.473 6.269 576 HB3 GLN 71 HB1 GLN 71 -8.071 -5.192 7.473 577 HG2 GLN 71 HG2 GLN 71 -6.532 -7.064 7.723 578 HG3 GLN 71 HG1 GLN 71 -5.473 -6.359 6.503 579 HE21 GLN 71 1HE2 GLN 71 -4.037 -6.696 8.479 580 HE22 GLN 71 2HE2 GLN 71 -3.877 -5.342 9.539 581 H ARG 72 H ARG 72 -8.541 -5.263 3.253 582 HA ARG 72 HA ARG 72 -10.870 -3.715 4.035 583 HB2 ARG 72 HB2 ARG 72 -10.774 -2.738 1.827 584 HB3 ARG 72 HB1 ARG 72 -9.164 -2.719 2.529 585 HG2 ARG 72 HG2 ARG 72 -8.473 -3.604 0.610 586 HG3 ARG 72 HG1 ARG 72 -9.213 -5.106 1.161 587 HD2 ARG 72 HD2 ARG 72 -11.361 -4.276 0.110 588 HD3 ARG 72 HD1 ARG 72 -10.394 -3.006 -0.640 589 HE ARG 72 HE ARG 72 -9.184 -5.449 -1.218 590 HH11 ARG 72 1HH1 ARG 72 -12.159 -3.766 -1.922 591 HH12 ARG 72 2HH1 ARG 72 -12.379 -4.539 -3.456 592 HH21 ARG 72 1HH2 ARG 72 -9.472 -6.466 -3.236 593 HH22 ARG 72 2HH2 ARG 72 -10.854 -6.072 -4.202 594 H SER 73 H SER 73 -9.972 -6.529 2.185 595 HA SER 73 HA SER 73 -12.381 -7.824 2.470 596 HB2 SER 73 HB2 SER 73 -12.255 -6.048 0.085 597 HB3 SER 73 HB1 SER 73 -12.968 -7.645 -0.134 598 HG SER 73 HG SER 73 -14.290 -7.079 1.761 599 H GLY 74 H GLY 74 -9.736 -8.531 2.647 600 HA2 GLY 74 HA2 GLY 74 -9.377 -10.349 0.344 601 HA3 GLY 74 HA1 GLY 74 -8.049 -9.688 1.284 602 H LYS 75 H LYS 75 -9.394 -10.085 3.842 603 HA LYS 75 HA LYS 75 -9.317 -13.026 3.991 604 HB2 LYS 75 HB2 LYS 75 -7.600 -11.113 5.249 605 HB3 LYS 75 HB1 LYS 75 -8.535 -11.932 6.492 606 HG2 LYS 75 HG2 LYS 75 -7.053 -13.428 4.355 607 HG3 LYS 75 HG1 LYS 75 -6.299 -12.949 5.877 608 HD2 LYS 75 HD2 LYS 75 -8.612 -14.102 6.744 609 HD3 LYS 75 HD1 LYS 75 -8.245 -15.073 5.317 610 HE2 LYS 75 HE2 LYS 75 -6.108 -15.670 6.173 611 HE3 LYS 75 HE1 LYS 75 -6.228 -14.486 7.473 612 HZ1 LYS 75 HZ1 LYS 75 -8.388 -15.979 7.939 613 HZ2 LYS 75 HZ2 LYS 75 -6.881 -16.268 8.649 614 HZ3 LYS 75 HZ3 LYS 75 -7.356 -17.150 7.286 615 H LYS 76 H LYS 76 -10.207 -10.206 5.991 616 HA LYS 76 HA LYS 76 -12.019 -9.775 7.293 617 HB2 LYS 76 HB2 LYS 76 -13.093 -11.292 4.999 618 HB3 LYS 76 HB1 LYS 76 -14.133 -11.235 6.416 619 HG2 LYS 76 HG2 LYS 76 -14.305 -8.900 6.335 620 HG3 LYS 76 HG1 LYS 76 -12.931 -8.753 5.237 621 HD2 LYS 76 HD2 LYS 76 -14.166 -9.600 3.415 622 HD3 LYS 76 HD1 LYS 76 -15.453 -10.197 4.465 623 HE2 LYS 76 HE2 LYS 76 -15.776 -7.725 5.109 624 HE3 LYS 76 HE1 LYS 76 -14.827 -7.375 3.665 625 HZ1 LYS 76 HZ1 LYS 76 -16.537 -8.966 2.559 626 HZ2 LYS 76 HZ2 LYS 76 -16.947 -7.350 2.840 627 HZ3 LYS 76 HZ3 LYS 76 -17.506 -8.557 3.885 628 H VAL 77 H VAL 77 -10.720 -11.003 8.916 629 HA VAL 77 HA VAL 77 -12.357 -13.172 9.998 630 HB VAL 77 HB VAL 77 -10.252 -14.398 10.657 631 HG11 VAL 77 1HG1 VAL 77 -10.255 -15.692 8.729 632 HG12 VAL 77 2HG1 VAL 77 -10.495 -14.299 7.674 633 HG13 VAL 77 3HG1 VAL 77 -11.825 -14.893 8.669 634 HG21 VAL 77 3HG2 VAL 77 -8.868 -12.273 10.000 635 HG22 VAL 77 1HG2 VAL 77 -8.876 -13.015 8.401 636 HG23 VAL 77 2HG2 VAL 77 -8.191 -13.886 9.774 637 HA PRO 78 HA PRO 78 -11.969 -11.315 13.962 638 HB2 PRO 78 HB2 PRO 78 -10.800 -13.874 14.951 639 HB3 PRO 78 HB1 PRO 78 -12.164 -12.943 15.580 640 HG2 PRO 78 HG2 PRO 78 -12.576 -15.176 14.193 641 HG3 PRO 78 HG1 PRO 78 -13.634 -13.768 13.987 642 HD2 PRO 78 HD2 PRO 78 -11.476 -14.798 12.202 643 HD3 PRO 78 HD1 PRO 78 -13.019 -14.028 11.781 644 HA PRO 79 HA PRO 79 -7.714 -10.035 14.185 645 HB2 PRO 79 HB2 PRO 79 -7.838 -8.515 16.413 646 HB3 PRO 79 HB1 PRO 79 -8.551 -8.002 14.880 647 HG2 PRO 79 HG2 PRO 79 -9.875 -9.228 17.269 648 HG3 PRO 79 HG1 PRO 79 -10.417 -7.873 16.262 649 HD2 PRO 79 HD2 PRO 79 -11.379 -10.403 15.986 650 HD3 PRO 79 HD1 PRO 79 -11.264 -9.260 14.633 651 H ASN 80 H ASN 80 -6.138 -9.635 16.276 652 HA ASN 80 HA ASN 80 -6.304 -11.960 18.044 653 HB2 ASN 80 HB2 ASN 80 -3.906 -12.488 17.600 654 HB3 ASN 80 HB1 ASN 80 -4.953 -12.765 16.211 655 HD21 ASN 80 1HD2 ASN 80 -3.663 -12.421 14.529 656 HD22 ASN 80 2HD2 ASN 80 -2.759 -10.977 14.242 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 7.434 3.803 13.671 2 H2 MET 1 HT2 MET 1 7.618 4.742 15.095 3 H3 MET 1 HT3 MET 1 7.695 5.492 13.554 4 HA MET 1 HA MET 1 5.383 4.363 14.955 5 HB2 MET 1 HB2 MET 1 6.496 6.953 14.485 6 HB3 MET 1 HB1 MET 1 4.958 6.855 13.638 7 HG2 MET 1 HG2 MET 1 4.257 5.796 16.008 8 HG3 MET 1 HG1 MET 1 5.537 6.893 16.521 9 HE1 MET 1 HE1 MET 1 4.151 10.312 16.283 10 HE2 MET 1 HE2 MET 1 5.616 9.344 16.120 11 HE3 MET 1 HE3 MET 1 4.594 9.162 17.546 12 H MET 2 H MET 2 3.523 3.909 13.815 13 HA MET 2 HA MET 2 3.870 3.611 10.909 14 HB2 MET 2 HB2 MET 2 2.622 1.936 12.989 15 HB3 MET 2 HB1 MET 2 1.712 2.059 11.489 16 HG2 MET 2 HG2 MET 2 3.033 0.196 11.153 17 HG3 MET 2 HG1 MET 2 3.934 1.474 10.340 18 HE1 MET 2 HE1 MET 2 6.335 -0.425 10.678 19 HE2 MET 2 HE2 MET 2 7.270 0.837 11.481 20 HE3 MET 2 HE3 MET 2 6.091 1.267 10.243 21 H SER 3 H SER 3 2.326 5.521 13.160 22 HA SER 3 HA SER 3 0.028 6.029 11.405 23 HB2 SER 3 HB2 SER 3 0.043 5.625 14.097 24 HB3 SER 3 HB1 SER 3 0.121 7.385 14.023 25 HG SER 3 HG SER 3 -1.779 5.818 12.616 26 H LEU 4 H LEU 4 2.933 7.031 11.235 27 HA LEU 4 HA LEU 4 3.071 9.761 11.779 28 HB2 LEU 4 HB2 LEU 4 4.312 8.889 9.235 29 HB3 LEU 4 HB1 LEU 4 4.998 9.801 10.572 30 HG LEU 4 HG LEU 4 4.763 7.367 11.741 31 HD11 LEU 4 1HD1 LEU 4 4.881 6.948 8.803 32 HD12 LEU 4 2HD1 LEU 4 4.105 5.979 10.056 33 HD13 LEU 4 3HD1 LEU 4 5.853 5.900 9.838 34 HD21 LEU 4 3HD2 LEU 4 6.794 8.405 11.974 35 HD22 LEU 4 1HD2 LEU 4 6.953 8.726 10.248 36 HD23 LEU 4 2HD2 LEU 4 7.220 7.098 10.870 37 H VAL 5 H VAL 5 1.803 8.055 8.976 38 HA VAL 5 HA VAL 5 0.841 10.625 7.925 39 HB VAL 5 HB VAL 5 0.759 8.334 6.099 40 HG11 VAL 5 1HG1 VAL 5 2.236 10.754 5.447 41 HG12 VAL 5 2HG1 VAL 5 0.553 11.033 5.905 42 HG13 VAL 5 3HG1 VAL 5 0.949 9.953 4.566 43 HG21 VAL 5 3HG2 VAL 5 3.451 9.500 6.780 44 HG22 VAL 5 1HG2 VAL 5 3.088 8.197 5.648 45 HG23 VAL 5 2HG2 VAL 5 2.889 7.942 7.382 46 H SER 6 H SER 6 -1.178 10.938 8.479 47 HA SER 6 HA SER 6 -3.037 8.692 8.560 48 HB2 SER 6 HB2 SER 6 -4.590 10.698 9.345 49 HB3 SER 6 HB1 SER 6 -3.457 9.931 10.457 50 HG SER 6 HG SER 6 -3.157 12.124 10.603 51 H ASP 7 H ASP 7 -5.328 9.346 7.778 52 HA ASP 7 HA ASP 7 -5.410 9.459 5.036 53 HB2 ASP 7 HB2 ASP 7 -7.797 10.171 5.300 54 HB3 ASP 7 HB1 ASP 7 -7.349 8.782 6.287 55 H GLU 8 H GLU 8 -4.874 12.059 7.222 56 HA GLU 8 HA GLU 8 -5.829 14.294 5.964 57 HB2 GLU 8 HB2 GLU 8 -3.133 14.027 7.307 58 HB3 GLU 8 HB1 GLU 8 -4.057 15.516 7.101 59 HG2 GLU 8 HG2 GLU 8 -5.885 14.113 8.419 60 HG3 GLU 8 HG1 GLU 8 -4.444 13.290 9.015 61 H GLU 9 H GLU 9 -2.513 13.013 5.520 62 HA GLU 9 HA GLU 9 -1.941 14.801 3.394 63 HB2 GLU 9 HB2 GLU 9 -0.614 12.342 4.483 64 HB3 GLU 9 HB1 GLU 9 -0.047 13.054 2.979 65 HG2 GLU 9 HG2 GLU 9 -0.386 14.982 5.145 66 HG3 GLU 9 HG1 GLU 9 0.810 13.730 5.475 67 H TRP 10 H TRP 10 -3.440 11.677 3.551 68 HA TRP 10 HA TRP 10 -3.118 11.170 0.738 69 HB2 TRP 10 HB2 TRP 10 -3.166 9.350 2.483 70 HB3 TRP 10 HB1 TRP 10 -4.905 9.619 2.593 71 HD1 TRP 10 HD TRP 10 -6.398 8.669 0.686 72 HE1 TRP 10 HE1 TRP 10 -5.950 7.241 -1.397 73 HE3 TRP 10 HE3 TRP 10 -1.299 8.862 0.668 74 HZ2 TRP 10 HZ2 TRP 10 -3.713 6.290 -2.850 75 HZ3 TRP 10 HZ3 TRP 10 -0.077 7.661 -1.096 76 HH2 TRP 10 HH TRP 10 -1.260 6.401 -2.819 77 H VAL 11 H VAL 11 -5.543 12.756 2.653 78 HA VAL 11 HA VAL 11 -7.720 12.242 0.922 79 HB VAL 11 HB VAL 11 -8.408 12.999 3.039 80 HG11 VAL 11 1HG1 VAL 11 -6.346 15.150 2.714 81 HG12 VAL 11 2HG1 VAL 11 -6.510 13.958 4.001 82 HG13 VAL 11 3HG1 VAL 11 -7.654 15.293 3.886 83 HG21 VAL 11 3HG2 VAL 11 -9.271 15.435 2.481 84 HG22 VAL 11 1HG2 VAL 11 -9.922 14.013 1.660 85 HG23 VAL 11 2HG2 VAL 11 -8.693 15.005 0.867 86 H GLU 12 H GLU 12 -5.266 14.725 1.202 87 HA GLU 12 HA GLU 12 -6.267 16.397 -0.754 88 HB2 GLU 12 HB2 GLU 12 -4.294 16.796 0.853 89 HB3 GLU 12 HB1 GLU 12 -3.321 15.958 -0.348 90 HG2 GLU 12 HG2 GLU 12 -4.997 18.170 -1.342 91 HG3 GLU 12 HG1 GLU 12 -3.652 18.613 -0.292 92 H TYR 13 H TYR 13 -4.536 13.459 -0.816 93 HA TYR 13 HA TYR 13 -3.857 13.442 -3.604 94 HB2 TYR 13 HB2 TYR 13 -3.628 11.546 -1.314 95 HB3 TYR 13 HB1 TYR 13 -3.535 10.890 -2.949 96 HD1 TYR 13 HD1 TYR 13 -1.950 12.461 -4.537 97 HD2 TYR 13 HD2 TYR 13 -1.600 11.981 -0.325 98 HE1 TYR 13 HE1 TYR 13 0.416 13.117 -4.665 99 HE2 TYR 13 HE2 TYR 13 0.767 12.638 -0.439 100 HH TYR 13 HH TYR 13 2.473 13.189 -1.769 101 H LYS 14 H LYS 14 -6.256 11.782 -1.589 102 HA LYS 14 HA LYS 14 -7.459 10.133 -3.405 103 HB2 LYS 14 HB2 LYS 14 -8.542 11.671 -1.067 104 HB3 LYS 14 HB1 LYS 14 -9.588 10.631 -2.016 105 HG2 LYS 14 HG2 LYS 14 -8.547 8.702 -1.299 106 HG3 LYS 14 HG1 LYS 14 -7.036 9.538 -0.955 107 HD2 LYS 14 HD2 LYS 14 -8.366 8.757 1.054 108 HD3 LYS 14 HD1 LYS 14 -7.881 10.451 1.056 109 HE2 LYS 14 HE2 LYS 14 -10.485 9.934 -0.180 110 HE3 LYS 14 HE1 LYS 14 -10.405 9.537 1.533 111 HZ1 LYS 14 HZ1 LYS 14 -9.910 12.156 0.247 112 HZ2 LYS 14 HZ2 LYS 14 -9.432 11.826 1.835 113 HZ3 LYS 14 HZ3 LYS 14 -11.069 11.768 1.418 114 H SER 15 H SER 15 -7.751 13.607 -3.228 115 HA SER 15 HA SER 15 -10.096 13.812 -4.833 116 HB2 SER 15 HB2 SER 15 -7.962 15.903 -4.380 117 HB3 SER 15 HB1 SER 15 -9.640 16.178 -4.848 118 HG SER 15 HG SER 15 -8.600 15.970 -2.392 119 H LYS 16 H LYS 16 -6.635 14.009 -5.252 120 HA LYS 16 HA LYS 16 -6.883 14.445 -8.054 121 HB2 LYS 16 HB2 LYS 16 -5.095 15.509 -6.683 122 HB3 LYS 16 HB1 LYS 16 -4.376 13.918 -6.476 123 HG2 LYS 16 HG2 LYS 16 -4.038 13.749 -8.885 124 HG3 LYS 16 HG1 LYS 16 -4.770 15.340 -9.101 125 HD2 LYS 16 HD2 LYS 16 -2.529 15.167 -7.178 126 HD3 LYS 16 HD1 LYS 16 -2.122 14.953 -8.881 127 HE2 LYS 16 HE2 LYS 16 -3.935 17.191 -8.351 128 HE3 LYS 16 HE1 LYS 16 -2.347 17.357 -7.603 129 HZ1 LYS 16 HZ1 LYS 16 -2.848 16.825 -10.482 130 HZ2 LYS 16 HZ2 LYS 16 -1.328 17.005 -9.762 131 HZ3 LYS 16 HZ3 LYS 16 -2.396 18.316 -9.821 132 H PHE 17 H PHE 17 -6.991 11.758 -6.113 133 HA PHE 17 HA PHE 17 -5.692 9.993 -8.043 134 HB2 PHE 17 HB2 PHE 17 -6.200 9.905 -5.210 135 HB3 PHE 17 HB1 PHE 17 -6.824 8.451 -5.981 136 HD1 PHE 17 HD1 PHE 17 -5.007 7.758 -8.022 137 HD2 PHE 17 HD2 PHE 17 -4.165 9.516 -4.239 138 HE1 PHE 17 HE1 PHE 17 -2.733 6.821 -8.097 139 HE2 PHE 17 HE2 PHE 17 -1.890 8.583 -4.308 140 HZ PHE 17 HZ PHE 17 -1.171 7.234 -6.238 141 H ASP 18 H ASP 18 -8.781 11.216 -7.489 142 HA ASP 18 HA ASP 18 -10.802 10.771 -8.428 143 HB2 ASP 18 HB2 ASP 18 -8.987 9.114 -10.110 144 HB3 ASP 18 HB1 ASP 18 -10.715 8.799 -10.217 145 H LYS 19 H LYS 19 -9.359 8.922 -6.287 146 HA LYS 19 HA LYS 19 -11.713 7.267 -5.869 147 HB2 LYS 19 HB2 LYS 19 -10.177 5.317 -5.267 148 HB3 LYS 19 HB1 LYS 19 -10.389 5.652 -6.979 149 HG2 LYS 19 HG2 LYS 19 -8.180 5.643 -7.143 150 HG3 LYS 19 HG1 LYS 19 -8.190 7.173 -6.267 151 HD2 LYS 19 HD2 LYS 19 -8.282 5.649 -4.159 152 HD3 LYS 19 HD1 LYS 19 -7.669 4.410 -5.253 153 HE2 LYS 19 HE2 LYS 19 -5.821 5.987 -5.861 154 HE3 LYS 19 HE1 LYS 19 -6.392 7.056 -4.579 155 HZ1 LYS 19 HZ1 LYS 19 -5.923 4.294 -3.812 156 HZ2 LYS 19 HZ2 LYS 19 -5.568 5.723 -2.982 157 HZ3 LYS 19 HZ3 LYS 19 -4.542 5.185 -4.214 158 H ASN 20 H ASN 20 -12.225 8.493 -4.117 159 HA ASN 20 HA ASN 20 -10.216 8.963 -2.072 160 HB2 ASN 20 HB2 ASN 20 -12.060 10.382 -1.056 161 HB3 ASN 20 HB1 ASN 20 -11.452 10.898 -2.628 162 HD21 ASN 20 1HD2 ASN 20 -14.166 10.264 -0.833 163 HD22 ASN 20 2HD2 ASN 20 -15.319 10.138 -2.115 164 H TYR 21 H TYR 21 -10.000 7.824 -0.298 165 HA TYR 21 HA TYR 21 -12.355 6.525 0.858 166 HB2 TYR 21 HB2 TYR 21 -10.704 4.656 1.595 167 HB3 TYR 21 HB1 TYR 21 -11.375 4.610 -0.031 168 HD1 TYR 21 HD2 TYR 21 -8.433 5.505 1.957 169 HD2 TYR 21 HD1 TYR 21 -9.928 4.675 -1.924 170 HE1 TYR 21 HE2 TYR 21 -6.158 5.379 1.119 171 HE2 TYR 21 HE1 TYR 21 -7.621 4.552 -2.784 172 HH TYR 21 HH TYR 21 -4.875 5.379 -0.750 173 H GLU 22 H GLU 22 -12.699 7.432 2.648 174 HA GLU 22 HA GLU 22 -10.884 9.054 4.075 175 HB2 GLU 22 HB2 GLU 22 -13.704 8.539 4.023 176 HB3 GLU 22 HB1 GLU 22 -13.137 8.607 5.685 177 HG2 GLU 22 HG2 GLU 22 -13.467 10.807 5.442 178 HG3 GLU 22 HG1 GLU 22 -11.887 10.763 4.661 179 H ALA 23 H ALA 23 -11.116 9.001 6.547 180 HA ALA 23 HA ALA 23 -9.304 7.360 7.652 181 HB1 ALA 23 HB1 ALA 23 -11.615 8.827 8.809 182 HB2 ALA 23 HB2 ALA 23 -9.885 9.123 8.980 183 HB3 ALA 23 HB3 ALA 23 -10.642 7.786 9.847 184 H GLU 24 H GLU 24 -12.790 6.551 7.423 185 HA GLU 24 HA GLU 24 -12.813 4.378 9.142 186 HB2 GLU 24 HB2 GLU 24 -14.833 5.240 8.044 187 HB3 GLU 24 HB1 GLU 24 -14.263 4.630 6.497 188 HG2 GLU 24 HG2 GLU 24 -14.522 2.697 8.729 189 HG3 GLU 24 HG1 GLU 24 -16.001 3.309 7.991 190 H GLU 25 H GLU 25 -12.230 4.263 5.625 191 HA GLU 25 HA GLU 25 -11.203 1.574 5.751 192 HB2 GLU 25 HB2 GLU 25 -12.151 3.284 3.721 193 HB3 GLU 25 HB1 GLU 25 -10.461 2.984 3.341 194 HG2 GLU 25 HG2 GLU 25 -10.988 0.518 3.654 195 HG3 GLU 25 HG1 GLU 25 -12.686 0.993 3.632 196 H ASP 26 H ASP 26 -9.982 4.822 5.507 197 HA ASP 26 HA ASP 26 -7.311 4.429 4.961 198 HB2 ASP 26 HB2 ASP 26 -8.901 6.523 6.296 199 HB3 ASP 26 HB1 ASP 26 -7.158 6.602 6.497 200 H LEU 27 H LEU 27 -8.970 4.096 8.042 201 HA LEU 27 HA LEU 27 -6.949 4.387 9.845 202 HB2 LEU 27 HB2 LEU 27 -9.490 3.596 9.937 203 HB3 LEU 27 HB1 LEU 27 -8.717 2.037 10.202 204 HG LEU 27 HG LEU 27 -7.549 4.091 11.864 205 HD11 LEU 27 1HD1 LEU 27 -10.494 3.563 12.220 206 HD12 LEU 27 2HD1 LEU 27 -9.766 5.097 11.741 207 HD13 LEU 27 3HD1 LEU 27 -9.458 4.437 13.347 208 HD21 LEU 27 3HD2 LEU 27 -7.134 1.843 12.398 209 HD22 LEU 27 1HD2 LEU 27 -8.843 1.419 12.297 210 HD23 LEU 27 2HD2 LEU 27 -8.257 2.407 13.635 211 H MET 28 H MET 28 -7.777 1.314 8.224 212 HA MET 28 HA MET 28 -5.491 -0.067 9.209 213 HB2 MET 28 HB2 MET 28 -6.002 -1.741 7.467 214 HB3 MET 28 HB1 MET 28 -7.436 -1.301 8.384 215 HG2 MET 28 HG2 MET 28 -7.193 0.405 6.099 216 HG3 MET 28 HG1 MET 28 -7.084 -1.281 5.603 217 HE1 MET 28 HE1 MET 28 -9.023 -2.750 5.214 218 HE2 MET 28 HE2 MET 28 -9.292 -1.331 4.203 219 HE3 MET 28 HE3 MET 28 -10.636 -2.048 5.092 220 H ARG 29 H ARG 29 -6.187 2.047 6.581 221 HA ARG 29 HA ARG 29 -3.851 1.538 5.056 222 HB2 ARG 29 HB2 ARG 29 -5.916 3.633 5.088 223 HB3 ARG 29 HB1 ARG 29 -4.507 3.872 4.108 224 HG2 ARG 29 HG2 ARG 29 -5.142 2.326 2.572 225 HG3 ARG 29 HG1 ARG 29 -5.925 1.299 3.784 226 HD2 ARG 29 HD2 ARG 29 -7.894 2.570 3.746 227 HD3 ARG 29 HD1 ARG 29 -7.095 3.949 2.993 228 HE ARG 29 HE ARG 29 -7.144 2.820 0.924 229 HH11 ARG 29 1HH1 ARG 29 -8.842 1.090 3.439 230 HH12 ARG 29 2HH1 ARG 29 -9.580 -0.023 2.342 231 HH21 ARG 29 1HH2 ARG 29 -8.075 1.315 -0.510 232 HH22 ARG 29 2HH2 ARG 29 -9.145 0.100 0.104 233 H ARG 30 H ARG 30 -4.613 3.476 7.825 234 HA ARG 30 HA ARG 30 -2.775 5.535 7.693 235 HB2 ARG 30 HB2 ARG 30 -3.539 3.885 10.120 236 HB3 ARG 30 HB1 ARG 30 -2.715 5.435 10.178 237 HG2 ARG 30 HG2 ARG 30 -5.388 5.138 8.864 238 HG3 ARG 30 HG1 ARG 30 -5.231 5.390 10.601 239 HD2 ARG 30 HD2 ARG 30 -3.707 7.376 9.897 240 HD3 ARG 30 HD1 ARG 30 -4.528 7.219 8.346 241 HE ARG 30 HE ARG 30 -6.428 8.086 9.293 242 HH11 ARG 30 1HH1 ARG 30 -4.185 7.216 11.822 243 HH12 ARG 30 2HH1 ARG 30 -5.105 7.982 13.074 244 HH21 ARG 30 1HH2 ARG 30 -7.638 9.093 10.937 245 HH22 ARG 30 2HH2 ARG 30 -7.066 9.047 12.571 246 H ARG 31 H ARG 31 -2.396 2.163 8.539 247 HA ARG 31 HA ARG 31 0.349 2.317 9.280 248 HB2 ARG 31 HB2 ARG 31 -1.165 -0.123 8.352 249 HB3 ARG 31 HB1 ARG 31 0.295 -0.086 9.331 250 HG2 ARG 31 HG2 ARG 31 -2.304 1.114 10.241 251 HG3 ARG 31 HG1 ARG 31 -1.857 -0.565 10.550 252 HD2 ARG 31 HD2 ARG 31 0.329 0.469 11.501 253 HD3 ARG 31 HD1 ARG 31 -0.623 1.950 11.598 254 HE ARG 31 HE ARG 31 -1.786 1.052 13.357 255 HH11 ARG 31 1HH1 ARG 31 0.003 -1.485 11.761 256 HH12 ARG 31 2HH1 ARG 31 -0.333 -2.663 12.985 257 HH21 ARG 31 1HH2 ARG 31 -2.230 -0.496 14.967 258 HH22 ARG 31 2HH2 ARG 31 -1.602 -2.102 14.805 259 H ILE 32 H ILE 32 -1.361 1.768 6.201 260 HA ILE 32 HA ILE 32 1.120 0.978 4.900 261 HB ILE 32 HB ILE 32 -0.442 -0.083 3.726 262 HG12 ILE 32 2HG1 ILE 32 -1.115 1.052 1.684 263 HG13 ILE 32 1HG1 ILE 32 -0.653 2.585 2.431 264 HG21 ILE 32 1HG2 ILE 32 -2.358 2.077 4.331 265 HG22 ILE 32 2HG2 ILE 32 -2.293 0.469 5.047 266 HG23 ILE 32 3HG2 ILE 32 -2.725 0.667 3.348 267 HD11 ILE 32 3HD1 ILE 32 1.426 2.276 1.784 268 HD12 ILE 32 1HD1 ILE 32 0.864 0.814 0.997 269 HD13 ILE 32 2HD1 ILE 32 1.484 0.736 2.634 270 H TYR 33 H TYR 33 -0.815 3.758 5.340 271 HA TYR 33 HA TYR 33 0.409 5.348 3.462 272 HB2 TYR 33 HB2 TYR 33 -1.651 5.903 4.924 273 HB3 TYR 33 HB1 TYR 33 -0.456 6.537 6.058 274 HD1 TYR 33 HD2 TYR 33 1.000 6.913 2.981 275 HD2 TYR 33 HD1 TYR 33 -2.139 8.578 5.322 276 HE1 TYR 33 HE2 TYR 33 1.095 8.949 1.636 277 HE2 TYR 33 HE1 TYR 33 -2.016 10.652 4.010 278 HH TYR 33 HH TYR 33 -1.150 11.157 1.429 279 H ALA 34 H ALA 34 1.430 4.363 6.637 280 HA ALA 34 HA ALA 34 3.376 6.252 7.167 281 HB1 ALA 34 HB1 ALA 34 2.904 4.843 8.941 282 HB2 ALA 34 HB2 ALA 34 4.507 4.312 8.434 283 HB3 ALA 34 HB3 ALA 34 3.081 3.394 7.952 284 H GLU 35 H GLU 35 3.752 3.193 5.495 285 HA GLU 35 HA GLU 35 6.484 3.420 4.915 286 HB2 GLU 35 HB2 GLU 35 5.809 1.951 2.879 287 HB3 GLU 35 HB1 GLU 35 5.624 1.310 4.509 288 HG2 GLU 35 HG2 GLU 35 3.254 2.723 3.854 289 HG3 GLU 35 HG1 GLU 35 3.662 1.644 2.496 290 H SER 36 H SER 36 3.679 4.844 3.375 291 HA SER 36 HA SER 36 4.570 5.434 0.861 292 HB2 SER 36 HB2 SER 36 2.916 7.071 0.739 293 HB3 SER 36 HB1 SER 36 2.330 6.029 2.034 294 HG SER 36 HG SER 36 3.186 8.639 2.120 295 H LYS 37 H LYS 37 5.052 7.567 3.706 296 HA LYS 37 HA LYS 37 6.649 9.432 2.338 297 HB2 LYS 37 HB2 LYS 37 7.342 8.863 5.149 298 HB3 LYS 37 HB1 LYS 37 7.097 10.405 4.356 299 HG2 LYS 37 HG2 LYS 37 5.007 8.525 5.416 300 HG3 LYS 37 HG1 LYS 37 5.355 10.175 5.933 301 HD2 LYS 37 HD2 LYS 37 4.604 9.767 3.089 302 HD3 LYS 37 HD1 LYS 37 3.334 9.585 4.297 303 HE2 LYS 37 HE2 LYS 37 4.186 11.842 5.206 304 HE3 LYS 37 HE1 LYS 37 4.984 12.000 3.641 305 HZ1 LYS 37 HZ1 LYS 37 2.406 11.242 3.065 306 HZ2 LYS 37 HZ2 LYS 37 3.066 12.789 2.887 307 HZ3 LYS 37 HZ3 LYS 37 2.244 12.381 4.306 308 H ALA 38 H ALA 38 7.443 6.425 4.016 309 HA ALA 38 HA ALA 38 10.211 6.521 3.951 310 HB1 ALA 38 HB1 ALA 38 8.433 4.665 4.744 311 HB2 ALA 38 HB2 ALA 38 10.154 4.336 4.536 312 HB3 ALA 38 HB3 ALA 38 9.016 3.924 3.253 313 H ARG 39 H ARG 39 7.898 5.820 1.517 314 HA ARG 39 HA ARG 39 9.689 4.980 -0.519 315 HB2 ARG 39 HB2 ARG 39 6.976 6.174 -0.894 316 HB3 ARG 39 HB1 ARG 39 7.781 4.983 -1.913 317 HG2 ARG 39 HG2 ARG 39 7.469 4.091 0.841 318 HG3 ARG 39 HG1 ARG 39 5.925 4.441 0.047 319 HD2 ARG 39 HD2 ARG 39 6.163 2.757 -1.473 320 HD3 ARG 39 HD1 ARG 39 7.922 2.875 -1.488 321 HE ARG 39 HE ARG 39 6.379 1.098 0.061 322 HH11 ARG 39 1HH1 ARG 39 9.194 3.148 0.297 323 HH12 ARG 39 2HH1 ARG 39 9.954 2.177 1.513 324 HH21 ARG 39 1HH2 ARG 39 7.377 -0.181 1.660 325 HH22 ARG 39 2HH2 ARG 39 8.923 0.287 2.286 326 H ILE 40 H ILE 40 8.365 8.036 0.570 327 HA ILE 40 HA ILE 40 9.096 9.503 -1.744 328 HB ILE 40 HB ILE 40 8.568 10.404 1.079 329 HG12 ILE 40 2HG1 ILE 40 6.448 9.954 0.500 330 HG13 ILE 40 1HG1 ILE 40 6.554 11.241 -0.687 331 HG21 ILE 40 1HG2 ILE 40 8.589 12.153 -1.373 332 HG22 ILE 40 2HG2 ILE 40 9.987 11.986 -0.310 333 HG23 ILE 40 3HG2 ILE 40 8.476 12.642 0.317 334 HD11 ILE 40 3HD1 ILE 40 5.741 8.892 -1.412 335 HD12 ILE 40 1HD1 ILE 40 7.458 8.448 -1.399 336 HD13 ILE 40 2HD1 ILE 40 6.874 9.760 -2.441 337 H GLU 41 H GLU 41 10.663 8.481 1.102 338 HA GLU 41 HA GLU 41 13.094 9.988 0.763 339 HB2 GLU 41 HB2 GLU 41 12.063 8.676 2.874 340 HB3 GLU 41 HB1 GLU 41 13.100 7.403 2.244 341 HG2 GLU 41 HG2 GLU 41 14.957 8.404 2.960 342 HG3 GLU 41 HG1 GLU 41 14.424 9.993 2.414 343 H GLU 42 H GLU 42 11.673 7.129 -0.411 344 HA GLU 42 HA GLU 42 13.622 5.370 -1.113 345 HB2 GLU 42 HB2 GLU 42 11.154 5.115 -1.368 346 HB3 GLU 42 HB1 GLU 42 11.209 6.260 -2.676 347 HG2 GLU 42 HG2 GLU 42 11.561 4.730 -4.151 348 HG3 GLU 42 HG1 GLU 42 13.023 4.185 -3.305 349 H HIS 43 H HIS 43 12.179 7.548 -3.534 350 HA HIS 43 HA HIS 43 14.367 7.096 -5.334 351 HB2 HIS 43 HB2 HIS 43 11.819 8.649 -5.457 352 HB3 HIS 43 HB1 HIS 43 13.005 8.745 -6.753 353 HD1 HIS 43 HD1 HIS 43 13.432 6.522 -8.110 354 HD2 HIS 43 HD2 HIS 43 10.254 6.377 -5.438 355 HE1 HIS 43 HE1 HIS 43 12.102 4.487 -8.756 356 HE2 HIS 43 HE2 HIS 43 10.228 4.375 -7.075 357 H ASN 44 H ASN 44 13.294 9.667 -3.258 358 HA ASN 44 HA ASN 44 14.774 11.733 -4.396 359 HB2 ASN 44 HB2 ASN 44 13.241 11.291 -1.984 360 HB3 ASN 44 HB1 ASN 44 14.616 12.365 -1.714 361 HD21 ASN 44 1HD2 ASN 44 14.675 14.332 -2.677 362 HD22 ASN 44 2HD2 ASN 44 13.329 15.026 -3.515 363 H ARG 45 H ARG 45 15.683 9.178 -2.251 364 HA ARG 45 HA ARG 45 18.264 10.369 -1.648 365 HB2 ARG 45 HB2 ARG 45 16.747 7.964 -0.774 366 HB3 ARG 45 HB1 ARG 45 18.500 7.931 -0.619 367 HG2 ARG 45 HG2 ARG 45 16.881 10.205 0.470 368 HG3 ARG 45 HG1 ARG 45 17.117 8.716 1.387 369 HD2 ARG 45 HD2 ARG 45 19.295 10.510 0.321 370 HD3 ARG 45 HD1 ARG 45 18.771 10.403 2.001 371 HE ARG 45 HE ARG 45 19.520 7.849 1.104 372 HH11 ARG 45 1HH1 ARG 45 20.942 10.935 1.897 373 HH12 ARG 45 2HH1 ARG 45 22.465 10.254 2.364 374 HH21 ARG 45 1HH2 ARG 45 21.522 6.951 1.718 375 HH22 ARG 45 2HH2 ARG 45 22.794 7.992 2.262 376 H LYS 46 H LYS 46 16.850 8.376 -3.981 377 HA LYS 46 HA LYS 46 18.962 6.654 -4.699 378 HB2 LYS 46 HB2 LYS 46 16.319 7.297 -5.416 379 HB3 LYS 46 HB1 LYS 46 17.259 7.236 -6.883 380 HG2 LYS 46 HG2 LYS 46 17.909 4.991 -6.512 381 HG3 LYS 46 HG1 LYS 46 17.308 5.030 -4.853 382 HD2 LYS 46 HD2 LYS 46 15.149 5.730 -6.545 383 HD3 LYS 46 HD1 LYS 46 15.927 4.312 -7.249 384 HE2 LYS 46 HE2 LYS 46 15.751 3.150 -5.105 385 HE3 LYS 46 HE1 LYS 46 14.981 4.568 -4.397 386 HZ1 LYS 46 HZ1 LYS 46 13.602 2.560 -5.383 387 HZ2 LYS 46 HZ2 LYS 46 13.766 3.457 -6.806 388 HZ3 LYS 46 HZ3 LYS 46 13.036 4.153 -5.447 389 H PHE 47 H PHE 47 17.811 9.558 -6.498 390 HA PHE 47 HA PHE 47 20.075 9.595 -8.234 391 HB2 PHE 47 HB2 PHE 47 19.379 11.879 -8.821 392 HB3 PHE 47 HB1 PHE 47 18.032 10.756 -8.948 393 HD1 PHE 47 HD1 PHE 47 19.415 13.601 -7.112 394 HD2 PHE 47 HD2 PHE 47 16.199 10.861 -7.471 395 HE1 PHE 47 HE1 PHE 47 18.027 15.064 -5.698 396 HE2 PHE 47 HE2 PHE 47 14.788 12.317 -6.070 397 HZ PHE 47 HZ PHE 47 15.706 14.421 -5.176 398 H GLU 48 H GLU 48 19.012 10.787 -5.282 399 HA GLU 48 HA GLU 48 20.869 12.635 -4.524 400 HB2 GLU 48 HB2 GLU 48 18.797 11.041 -3.448 401 HB3 GLU 48 HB1 GLU 48 20.212 10.797 -2.402 402 HG2 GLU 48 HG2 GLU 48 19.622 13.601 -3.109 403 HG3 GLU 48 HG1 GLU 48 18.448 12.800 -2.066 404 H LYS 49 H LYS 49 21.203 9.374 -5.359 405 HA LYS 49 HA LYS 49 23.730 8.999 -3.961 406 HB2 LYS 49 HB2 LYS 49 21.582 7.294 -4.412 407 HB3 LYS 49 HB1 LYS 49 22.836 6.739 -5.511 408 HG2 LYS 49 HG2 LYS 49 23.528 7.272 -2.662 409 HG3 LYS 49 HG1 LYS 49 22.671 5.789 -3.088 410 HD2 LYS 49 HD2 LYS 49 24.958 6.392 -4.816 411 HD3 LYS 49 HD1 LYS 49 25.386 6.110 -3.129 412 HE2 LYS 49 HE2 LYS 49 24.457 3.950 -3.145 413 HE3 LYS 49 HE1 LYS 49 23.578 4.250 -4.643 414 HZ1 LYS 49 HZ1 LYS 49 25.378 3.802 -5.892 415 HZ2 LYS 49 HZ2 LYS 49 25.878 2.928 -4.533 416 HZ3 LYS 49 HZ3 LYS 49 26.468 4.491 -4.796 417 H GLY 50 H GLY 50 23.115 10.634 -6.519 418 HA2 GLY 50 HA2 GLY 50 24.098 10.958 -8.598 419 HA3 GLY 50 HA1 GLY 50 25.533 10.238 -7.861 420 H GLU 51 H GLU 51 22.492 8.697 -8.053 421 HA GLU 51 HA GLU 51 23.589 6.438 -9.466 422 HB2 GLU 51 HB2 GLU 51 21.727 6.954 -7.383 423 HB3 GLU 51 HB1 GLU 51 20.819 6.211 -8.718 424 HG2 GLU 51 HG2 GLU 51 23.370 4.900 -8.084 425 HG3 GLU 51 HG1 GLU 51 22.149 4.829 -6.813 426 H VAL 52 H VAL 52 20.555 8.277 -9.694 427 HA VAL 52 HA VAL 52 20.631 8.460 -12.565 428 HB VAL 52 HB VAL 52 19.169 6.813 -13.055 429 HG11 VAL 52 1HG1 VAL 52 19.164 6.176 -10.135 430 HG12 VAL 52 2HG1 VAL 52 20.315 5.545 -11.318 431 HG13 VAL 52 3HG1 VAL 52 18.611 5.090 -11.410 432 HG21 VAL 52 3HG2 VAL 52 16.953 6.627 -11.750 433 HG22 VAL 52 1HG2 VAL 52 17.243 8.035 -12.765 434 HG23 VAL 52 2HG2 VAL 52 17.453 8.154 -11.013 435 H THR 53 H THR 53 18.347 9.549 -13.112 436 HA THR 53 HA THR 53 17.812 11.221 -10.762 437 HB THR 53 HB THR 53 18.790 12.335 -12.717 438 HG1 THR 53 HG1 THR 53 16.178 13.091 -11.905 439 HG21 THR 53 3HG2 THR 53 17.092 10.901 -14.270 440 HG22 THR 53 1HG2 THR 53 17.913 12.379 -14.777 441 HG23 THR 53 2HG2 THR 53 16.254 12.450 -14.182 442 H TRP 54 H TRP 54 16.406 9.966 -9.853 443 HA TRP 54 HA TRP 54 13.747 9.777 -11.062 444 HB2 TRP 54 HB2 TRP 54 13.523 7.498 -9.852 445 HB3 TRP 54 HB1 TRP 54 14.350 7.555 -11.400 446 HD1 TRP 54 HD TRP 54 16.667 8.811 -8.800 447 HE1 TRP 54 HE1 TRP 54 18.355 6.983 -8.150 448 HE3 TRP 54 HE3 TRP 54 14.327 4.783 -10.904 449 HZ2 TRP 54 HZ2 TRP 54 18.629 4.188 -8.454 450 HZ3 TRP 54 HZ3 TRP 54 15.362 2.564 -10.666 451 HH2 TRP 54 HH TRP 54 17.469 2.274 -9.467 452 H LYS 55 H LYS 55 12.190 10.490 -9.760 453 HA LYS 55 HA LYS 55 12.820 10.781 -6.904 454 HB2 LYS 55 HB2 LYS 55 10.606 12.387 -7.314 455 HB3 LYS 55 HB1 LYS 55 12.279 12.913 -7.074 456 HG2 LYS 55 HG2 LYS 55 12.572 12.612 -9.566 457 HG3 LYS 55 HG1 LYS 55 10.808 12.580 -9.659 458 HD2 LYS 55 HD2 LYS 55 11.078 14.822 -9.901 459 HD3 LYS 55 HD1 LYS 55 11.145 14.770 -8.138 460 HE2 LYS 55 HE2 LYS 55 13.701 14.316 -9.534 461 HE3 LYS 55 HE1 LYS 55 13.021 15.935 -9.692 462 HZ1 LYS 55 HZ1 LYS 55 13.117 14.735 -7.023 463 HZ2 LYS 55 HZ2 LYS 55 13.269 16.356 -7.483 464 HZ3 LYS 55 HZ3 LYS 55 14.568 15.294 -7.692 465 H MET 56 H MET 56 11.172 10.697 -5.450 466 HA MET 56 HA MET 56 9.628 8.339 -5.567 467 HB2 MET 56 HB2 MET 56 8.398 9.793 -3.655 468 HB3 MET 56 HB1 MET 56 9.885 8.901 -3.374 469 HG2 MET 56 HG2 MET 56 9.913 11.173 -2.457 470 HG3 MET 56 HG1 MET 56 11.155 10.938 -3.682 471 HE1 MET 56 HE1 MET 56 7.781 13.437 -3.054 472 HE2 MET 56 HE2 MET 56 7.582 11.687 -3.147 473 HE3 MET 56 HE3 MET 56 7.087 12.705 -4.499 474 H GLY 57 H GLY 57 7.088 8.557 -5.008 475 HA2 GLY 57 HA2 GLY 57 5.793 10.790 -6.276 476 HA3 GLY 57 HA1 GLY 57 5.672 9.291 -7.185 477 H ILE 58 H ILE 58 5.826 8.565 -3.901 478 HA ILE 58 HA ILE 58 4.274 7.826 -2.390 479 HB ILE 58 HB ILE 58 2.620 9.868 -3.812 480 HG12 ILE 58 2HG1 ILE 58 4.793 10.503 -2.496 481 HG13 ILE 58 1HG1 ILE 58 3.341 11.477 -2.299 482 HG21 ILE 58 1HG2 ILE 58 1.111 8.392 -2.707 483 HG22 ILE 58 2HG2 ILE 58 1.210 9.856 -1.729 484 HG23 ILE 58 3HG2 ILE 58 2.085 8.405 -1.236 485 HD11 ILE 58 3HD1 ILE 58 4.580 10.937 -0.193 486 HD12 ILE 58 1HD1 ILE 58 4.099 9.253 -0.417 487 HD13 ILE 58 2HD1 ILE 58 2.871 10.501 -0.191 488 H ASN 59 H ASN 59 4.034 5.750 -3.252 489 HA ASN 59 HA ASN 59 2.608 5.361 -5.588 490 HB2 ASN 59 HB2 ASN 59 3.264 3.371 -3.405 491 HB3 ASN 59 HB1 ASN 59 2.603 2.925 -4.976 492 HD21 ASN 59 1HD2 ASN 59 3.889 3.963 -6.849 493 HD22 ASN 59 2HD2 ASN 59 5.605 3.797 -6.739 494 H HIS 60 H HIS 60 0.569 4.365 -5.966 495 HA HIS 60 HA HIS 60 -1.587 5.490 -4.661 496 HB2 HIS 60 HB2 HIS 60 -1.896 4.637 -6.854 497 HB3 HIS 60 HB1 HIS 60 -1.351 3.031 -6.390 498 HD1 HIS 60 HD1 HIS 60 -3.075 1.917 -4.458 499 HD2 HIS 60 HD2 HIS 60 -4.572 4.770 -7.081 500 HE1 HIS 60 HE1 HIS 60 -5.567 1.592 -4.453 501 HE2 HIS 60 HE2 HIS 60 -6.431 3.222 -6.168 502 H LEU 61 H LEU 61 -0.410 2.119 -4.310 503 HA LEU 61 HA LEU 61 -2.270 1.633 -2.219 504 HB2 LEU 61 HB2 LEU 61 -1.277 -0.452 -1.851 505 HB3 LEU 61 HB1 LEU 61 -1.326 -0.207 -3.586 506 HG LEU 61 HG LEU 61 0.725 -1.290 -2.409 507 HD11 LEU 61 1HD1 LEU 61 1.198 -1.201 -4.584 508 HD12 LEU 61 2HD1 LEU 61 2.126 0.246 -4.192 509 HD13 LEU 61 3HD1 LEU 61 0.466 0.392 -4.769 510 HD21 LEU 61 3HD2 LEU 61 1.596 1.576 -2.212 511 HD22 LEU 61 1HD2 LEU 61 2.507 0.134 -1.779 512 HD23 LEU 61 2HD2 LEU 61 1.097 0.592 -0.828 513 H ALA 62 H ALA 62 0.462 3.556 -2.189 514 HA ALA 62 HA ALA 62 1.638 2.713 0.193 515 HB1 ALA 62 HB1 ALA 62 2.629 4.807 0.480 516 HB2 ALA 62 HB2 ALA 62 1.527 5.572 -0.687 517 HB3 ALA 62 HB3 ALA 62 2.716 4.382 -1.238 518 H ASP 63 H ASP 63 -1.449 3.506 -0.220 519 HA ASP 63 HA ASP 63 -1.681 4.437 2.527 520 HB2 ASP 63 HB2 ASP 63 -2.403 5.993 0.616 521 HB3 ASP 63 HB1 ASP 63 -3.727 4.878 0.354 522 H LEU 64 H LEU 64 -2.545 2.312 -0.045 523 HA LEU 64 HA LEU 64 -3.790 0.615 1.978 524 HB2 LEU 64 HB2 LEU 64 -5.383 -0.132 0.327 525 HB3 LEU 64 HB1 LEU 64 -5.617 1.551 0.754 526 HG LEU 64 HG LEU 64 -3.962 1.822 -1.346 527 HD11 LEU 64 1HD1 LEU 64 -3.692 -0.122 -2.290 528 HD12 LEU 64 2HD1 LEU 64 -5.251 0.227 -3.048 529 HD13 LEU 64 3HD1 LEU 64 -5.172 -0.815 -1.623 530 HD21 LEU 64 3HD2 LEU 64 -6.760 1.520 -2.187 531 HD22 LEU 64 1HD2 LEU 64 -5.693 2.919 -2.284 532 HD23 LEU 64 2HD2 LEU 64 -6.516 2.541 -0.773 533 H THR 65 H THR 65 -2.066 -0.591 2.093 534 HA THR 65 HA THR 65 -1.190 -2.055 -0.295 535 HB THR 65 HB THR 65 0.507 -2.852 1.768 536 HG1 THR 65 HG1 THR 65 1.017 -1.172 2.951 537 HG21 THR 65 3HG2 THR 65 0.751 -1.371 -0.641 538 HG22 THR 65 1HG2 THR 65 1.942 -2.372 0.178 539 HG23 THR 65 2HG2 THR 65 1.787 -0.668 0.596 540 HA PRO 66 HA PRO 66 -2.384 -6.252 1.070 541 HB2 PRO 66 HB2 PRO 66 -0.281 -6.941 2.843 542 HB3 PRO 66 HB1 PRO 66 -0.387 -7.371 1.128 543 HG2 PRO 66 HG2 PRO 66 0.873 -4.948 2.397 544 HG3 PRO 66 HG1 PRO 66 1.576 -6.040 1.159 545 HD2 PRO 66 HD2 PRO 66 0.617 -3.821 0.286 546 HD3 PRO 66 HD1 PRO 66 -0.089 -5.279 -0.451 547 H GLU 67 H GLU 67 -1.061 -3.966 3.396 548 HA GLU 67 HA GLU 67 -2.142 -4.905 5.811 549 HB2 GLU 67 HB2 GLU 67 -2.400 -1.980 5.266 550 HB3 GLU 67 HB1 GLU 67 -1.605 -2.794 6.632 551 HG2 GLU 67 HG2 GLU 67 -0.544 -2.117 3.918 552 HG3 GLU 67 HG1 GLU 67 0.058 -1.605 5.496 553 H GLU 68 H GLU 68 -3.223 -2.558 3.529 554 HA GLU 68 HA GLU 68 -5.939 -2.414 4.467 555 HB2 GLU 68 HB2 GLU 68 -4.836 -0.457 3.566 556 HB3 GLU 68 HB1 GLU 68 -4.549 -1.288 2.043 557 HG2 GLU 68 HG2 GLU 68 -7.329 -0.932 3.073 558 HG3 GLU 68 HG1 GLU 68 -6.497 0.358 2.201 559 H PHE 69 H PHE 69 -4.284 -3.513 1.593 560 HA PHE 69 HA PHE 69 -6.345 -4.410 0.037 561 HB2 PHE 69 HB2 PHE 69 -3.453 -4.952 0.296 562 HB3 PHE 69 HB1 PHE 69 -4.366 -6.170 -0.582 563 HD1 PHE 69 HD1 PHE 69 -5.816 -5.370 -2.513 564 HD2 PHE 69 HD2 PHE 69 -2.708 -2.965 -0.794 565 HE1 PHE 69 HE1 PHE 69 -5.715 -4.025 -4.567 566 HE2 PHE 69 HE2 PHE 69 -2.625 -1.640 -2.857 567 HZ PHE 69 HZ PHE 69 -4.121 -2.159 -4.738 568 H ALA 70 H ALA 70 -4.503 -6.301 2.426 569 HA ALA 70 HA ALA 70 -6.176 -8.617 2.054 570 HB1 ALA 70 HB1 ALA 70 -4.588 -9.765 3.161 571 HB2 ALA 70 HB2 ALA 70 -4.383 -8.514 4.387 572 HB3 ALA 70 HB3 ALA 70 -3.613 -8.339 2.810 573 H GLN 71 H GLN 71 -6.070 -5.909 4.250 574 HA GLN 71 HA GLN 71 -7.909 -7.229 6.096 575 HB2 GLN 71 HB2 GLN 71 -5.888 -5.808 6.809 576 HB3 GLN 71 HB1 GLN 71 -6.881 -4.420 6.381 577 HG2 GLN 71 HG2 GLN 71 -8.013 -4.541 8.283 578 HG3 GLN 71 HG1 GLN 71 -8.331 -6.261 8.063 579 HE21 GLN 71 1HE2 GLN 71 -7.765 -4.941 10.522 580 HE22 GLN 71 2HE2 GLN 71 -6.300 -5.614 11.146 581 H ARG 72 H ARG 72 -8.179 -5.408 3.317 582 HA ARG 72 HA ARG 72 -10.543 -3.941 4.148 583 HB2 ARG 72 HB2 ARG 72 -10.564 -3.022 1.901 584 HB3 ARG 72 HB1 ARG 72 -8.953 -2.880 2.584 585 HG2 ARG 72 HG2 ARG 72 -8.193 -3.800 0.716 586 HG3 ARG 72 HG1 ARG 72 -8.911 -5.315 1.261 587 HD2 ARG 72 HD2 ARG 72 -10.916 -4.893 0.044 588 HD3 ARG 72 HD1 ARG 72 -10.419 -3.239 -0.314 589 HE ARG 72 HE ARG 72 -9.144 -4.030 -2.047 590 HH11 ARG 72 1HH1 ARG 72 -10.084 -6.704 -0.014 591 HH12 ARG 72 2HH1 ARG 72 -9.504 -7.908 -1.114 592 HH21 ARG 72 1HH2 ARG 72 -8.380 -5.611 -3.497 593 HH22 ARG 72 2HH2 ARG 72 -8.535 -7.289 -3.091 594 H SER 73 H SER 73 -9.593 -6.746 2.306 595 HA SER 73 HA SER 73 -11.909 -8.156 2.692 596 HB2 SER 73 HB2 SER 73 -12.427 -6.130 0.859 597 HB3 SER 73 HB1 SER 73 -12.182 -7.556 -0.148 598 HG SER 73 HG SER 73 -13.701 -8.594 1.401 599 H GLY 74 H GLY 74 -9.231 -8.730 2.704 600 HA2 GLY 74 HA2 GLY 74 -8.911 -10.497 0.357 601 HA3 GLY 74 HA1 GLY 74 -7.567 -9.784 1.235 602 H LYS 75 H LYS 75 -7.127 -10.542 3.392 603 HA LYS 75 HA LYS 75 -8.384 -13.084 4.117 604 HB2 LYS 75 HB2 LYS 75 -6.171 -13.308 2.738 605 HB3 LYS 75 HB1 LYS 75 -5.400 -12.861 4.253 606 HG2 LYS 75 HG2 LYS 75 -5.409 -15.042 4.698 607 HG3 LYS 75 HG1 LYS 75 -7.125 -14.826 5.047 608 HD2 LYS 75 HD2 LYS 75 -7.482 -15.240 2.536 609 HD3 LYS 75 HD1 LYS 75 -5.829 -15.858 2.543 610 HE2 LYS 75 HE2 LYS 75 -6.750 -17.235 4.610 611 HE3 LYS 75 HE1 LYS 75 -8.287 -16.972 3.788 612 HZ1 LYS 75 HZ1 LYS 75 -7.094 -19.060 3.172 613 HZ2 LYS 75 HZ2 LYS 75 -5.901 -18.108 2.443 614 HZ3 LYS 75 HZ3 LYS 75 -7.489 -18.064 1.862 615 H LYS 76 H LYS 76 -8.380 -13.545 6.305 616 HA LYS 76 HA LYS 76 -7.449 -11.352 8.036 617 HB2 LYS 76 HB2 LYS 76 -9.877 -13.053 8.041 618 HB3 LYS 76 HB1 LYS 76 -9.196 -12.662 9.614 619 HG2 LYS 76 HG2 LYS 76 -10.462 -10.829 9.474 620 HG3 LYS 76 HG1 LYS 76 -9.193 -10.226 8.406 621 HD2 LYS 76 HD2 LYS 76 -10.420 -10.989 6.462 622 HD3 LYS 76 HD1 LYS 76 -11.654 -11.715 7.493 623 HE2 LYS 76 HE2 LYS 76 -12.172 -9.469 8.389 624 HE3 LYS 76 HE1 LYS 76 -11.001 -8.779 7.267 625 HZ1 LYS 76 HZ1 LYS 76 -13.466 -10.263 6.532 626 HZ2 LYS 76 HZ2 LYS 76 -12.324 -9.677 5.432 627 HZ3 LYS 76 HZ3 LYS 76 -13.217 -8.596 6.378 628 H VAL 77 H VAL 77 -6.446 -11.842 10.013 629 HA VAL 77 HA VAL 77 -5.769 -14.615 10.584 630 HB VAL 77 HB VAL 77 -3.576 -12.573 10.227 631 HG11 VAL 77 1HG1 VAL 77 -3.342 -15.560 10.488 632 HG12 VAL 77 2HG1 VAL 77 -3.283 -14.470 11.874 633 HG13 VAL 77 3HG1 VAL 77 -2.064 -14.350 10.604 634 HG21 VAL 77 3HG2 VAL 77 -4.326 -12.977 8.039 635 HG22 VAL 77 1HG2 VAL 77 -4.607 -14.689 8.360 636 HG23 VAL 77 2HG2 VAL 77 -2.959 -14.070 8.256 637 HA PRO 78 HA PRO 78 -6.798 -12.557 14.527 638 HB2 PRO 78 HB2 PRO 78 -6.104 -15.329 15.389 639 HB3 PRO 78 HB1 PRO 78 -7.476 -14.317 15.854 640 HG2 PRO 78 HG2 PRO 78 -7.793 -16.313 14.124 641 HG3 PRO 78 HG1 PRO 78 -8.644 -14.773 13.901 642 HD2 PRO 78 HD2 PRO 78 -6.275 -15.858 12.452 643 HD3 PRO 78 HD1 PRO 78 -7.602 -14.842 11.852 644 HA PRO 79 HA PRO 79 -2.810 -11.767 16.243 645 HB2 PRO 79 HB2 PRO 79 -3.267 -11.734 18.922 646 HB3 PRO 79 HB1 PRO 79 -3.809 -10.449 17.837 647 HG2 PRO 79 HG2 PRO 79 -5.353 -12.753 18.964 648 HG3 PRO 79 HG1 PRO 79 -5.839 -11.055 18.795 649 HD2 PRO 79 HD2 PRO 79 -6.641 -12.973 17.063 650 HD3 PRO 79 HD1 PRO 79 -6.356 -11.295 16.560 651 H ASN 80 H ASN 80 -1.255 -12.545 18.066 652 HA ASN 80 HA ASN 80 0.071 -14.207 18.873 653 HB2 ASN 80 HB2 ASN 80 -2.115 -14.654 20.138 654 HB3 ASN 80 HB1 ASN 80 -2.375 -15.963 18.990 655 HD21 ASN 80 1HD2 ASN 80 -0.323 -14.760 21.546 656 HD22 ASN 80 2HD2 ASN 80 0.416 -16.274 21.930 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 0.210 7.737 18.045 2 H2 MET 1 HT2 MET 1 1.499 6.604 18.055 3 H3 MET 1 HT3 MET 1 0.248 6.474 16.886 4 HA MET 1 HA MET 1 0.915 8.400 15.803 5 HB2 MET 1 HB2 MET 1 2.820 8.727 18.132 6 HB3 MET 1 HB1 MET 1 2.817 9.741 16.695 7 HG2 MET 1 HG2 MET 1 0.233 9.945 17.459 8 HG3 MET 1 HG1 MET 1 1.025 9.742 19.021 9 HE1 MET 1 HE1 MET 1 2.125 12.355 15.710 10 HE2 MET 1 HE2 MET 1 0.672 13.165 16.297 11 HE3 MET 1 HE3 MET 1 0.615 11.458 15.855 12 H MET 2 H MET 2 1.413 5.711 15.461 13 HA MET 2 HA MET 2 4.280 5.554 14.833 14 HB2 MET 2 HB2 MET 2 2.697 3.744 16.128 15 HB3 MET 2 HB1 MET 2 2.640 3.135 14.480 16 HG2 MET 2 HG2 MET 2 4.770 2.443 14.523 17 HG3 MET 2 HG1 MET 2 5.319 3.851 15.430 18 HE1 MET 2 HE1 MET 2 3.100 0.869 15.527 19 HE2 MET 2 HE2 MET 2 3.154 0.252 17.179 20 HE3 MET 2 HE3 MET 2 4.447 -0.145 16.047 21 H SER 3 H SER 3 1.100 5.596 13.439 22 HA SER 3 HA SER 3 1.787 4.575 10.881 23 HB2 SER 3 HB2 SER 3 -0.482 6.465 11.538 24 HB3 SER 3 HB1 SER 3 -0.378 5.358 10.170 25 HG SER 3 HG SER 3 -0.347 3.638 11.746 26 H LEU 4 H LEU 4 1.946 7.737 12.350 27 HA LEU 4 HA LEU 4 2.948 9.677 11.696 28 HB2 LEU 4 HB2 LEU 4 3.924 8.613 9.102 29 HB3 LEU 4 HB1 LEU 4 4.734 9.630 10.282 30 HG LEU 4 HG LEU 4 4.291 6.897 11.251 31 HD11 LEU 4 1HD1 LEU 4 5.453 5.683 9.749 32 HD12 LEU 4 2HD1 LEU 4 6.489 7.034 9.294 33 HD13 LEU 4 3HD1 LEU 4 4.861 6.908 8.627 34 HD21 LEU 4 3HD2 LEU 4 6.677 7.157 11.843 35 HD22 LEU 4 1HD2 LEU 4 5.663 8.463 12.456 36 HD23 LEU 4 2HD2 LEU 4 6.675 8.725 11.036 37 H VAL 5 H VAL 5 2.004 8.077 8.679 38 HA VAL 5 HA VAL 5 0.758 10.550 7.789 39 HB VAL 5 HB VAL 5 0.695 8.248 5.964 40 HG11 VAL 5 1HG1 VAL 5 2.051 10.756 5.322 41 HG12 VAL 5 2HG1 VAL 5 0.343 10.909 5.743 42 HG13 VAL 5 3HG1 VAL 5 0.847 9.868 4.406 43 HG21 VAL 5 3HG2 VAL 5 3.349 9.507 6.650 44 HG22 VAL 5 1HG2 VAL 5 3.040 8.272 5.430 45 HG23 VAL 5 2HG2 VAL 5 2.860 7.889 7.139 46 H SER 6 H SER 6 -1.231 10.795 8.498 47 HA SER 6 HA SER 6 -3.064 8.523 8.536 48 HB2 SER 6 HB2 SER 6 -2.966 11.178 9.857 49 HB3 SER 6 HB1 SER 6 -4.571 10.577 9.437 50 HG SER 6 HG SER 6 -4.151 9.766 11.428 51 H ASP 7 H ASP 7 -5.394 9.217 7.879 52 HA ASP 7 HA ASP 7 -5.599 9.434 5.160 53 HB2 ASP 7 HB2 ASP 7 -7.953 10.090 5.514 54 HB3 ASP 7 HB1 ASP 7 -7.470 8.766 6.571 55 H GLU 8 H GLU 8 -4.936 11.971 7.394 56 HA GLU 8 HA GLU 8 -5.911 14.246 6.215 57 HB2 GLU 8 HB2 GLU 8 -3.200 13.879 7.505 58 HB3 GLU 8 HB1 GLU 8 -4.034 15.417 7.284 59 HG2 GLU 8 HG2 GLU 8 -5.504 15.031 8.977 60 HG3 GLU 8 HG1 GLU 8 -5.463 13.281 8.763 61 H GLU 9 H GLU 9 -2.628 12.941 5.651 62 HA GLU 9 HA GLU 9 -2.093 14.755 3.545 63 HB2 GLU 9 HB2 GLU 9 -0.701 12.656 4.934 64 HB3 GLU 9 HB1 GLU 9 -0.455 12.483 3.203 65 HG2 GLU 9 HG2 GLU 9 0.004 15.041 4.713 66 HG3 GLU 9 HG1 GLU 9 1.262 13.852 4.374 67 H TRP 10 H TRP 10 -3.667 11.667 3.687 68 HA TRP 10 HA TRP 10 -3.443 11.216 0.857 69 HB2 TRP 10 HB2 TRP 10 -3.495 9.350 2.551 70 HB3 TRP 10 HB1 TRP 10 -5.221 9.671 2.724 71 HD1 TRP 10 HD TRP 10 -6.798 8.683 0.926 72 HE1 TRP 10 HE1 TRP 10 -6.462 7.364 -1.253 73 HE3 TRP 10 HE3 TRP 10 -1.719 9.045 0.533 74 HZ2 TRP 10 HZ2 TRP 10 -4.319 6.550 -2.908 75 HZ3 TRP 10 HZ3 TRP 10 -0.599 7.964 -1.371 76 HH2 TRP 10 HH TRP 10 -1.876 6.742 -3.055 77 H VAL 11 H VAL 11 -5.780 12.823 2.877 78 HA VAL 11 HA VAL 11 -8.022 12.395 1.231 79 HB VAL 11 HB VAL 11 -8.683 13.240 3.295 80 HG11 VAL 11 1HG1 VAL 11 -6.450 15.231 3.027 81 HG12 VAL 11 2HG1 VAL 11 -6.653 13.970 4.242 82 HG13 VAL 11 3HG1 VAL 11 -7.716 15.375 4.244 83 HG21 VAL 11 3HG2 VAL 11 -9.380 15.691 2.837 84 HG22 VAL 11 1HG2 VAL 11 -10.021 14.410 1.805 85 HG23 VAL 11 2HG2 VAL 11 -8.679 15.411 1.238 86 H GLU 12 H GLU 12 -5.512 14.834 1.382 87 HA GLU 12 HA GLU 12 -6.561 16.402 -0.659 88 HB2 GLU 12 HB2 GLU 12 -3.653 16.091 0.081 89 HB3 GLU 12 HB1 GLU 12 -4.353 17.432 -0.814 90 HG2 GLU 12 HG2 GLU 12 -5.307 18.362 1.046 91 HG3 GLU 12 HG1 GLU 12 -5.403 16.822 1.900 92 H TYR 13 H TYR 13 -4.702 13.539 -0.558 93 HA TYR 13 HA TYR 13 -3.879 13.499 -3.305 94 HB2 TYR 13 HB2 TYR 13 -3.619 11.734 -0.952 95 HB3 TYR 13 HB1 TYR 13 -3.569 10.938 -2.521 96 HD1 TYR 13 HD1 TYR 13 -2.083 13.889 -0.773 97 HD2 TYR 13 HD2 TYR 13 -1.521 10.735 -3.572 98 HE1 TYR 13 HE1 TYR 13 0.276 14.535 -1.018 99 HE2 TYR 13 HE2 TYR 13 0.840 11.372 -3.825 100 HH TYR 13 HH TYR 13 2.126 13.890 -3.366 101 H LYS 14 H LYS 14 -6.435 11.895 -1.449 102 HA LYS 14 HA LYS 14 -7.365 10.068 -3.256 103 HB2 LYS 14 HB2 LYS 14 -8.857 11.772 -1.273 104 HB3 LYS 14 HB1 LYS 14 -9.645 10.503 -2.195 105 HG2 LYS 14 HG2 LYS 14 -8.506 8.808 -1.081 106 HG3 LYS 14 HG1 LYS 14 -7.192 9.888 -0.624 107 HD2 LYS 14 HD2 LYS 14 -8.801 9.130 1.212 108 HD3 LYS 14 HD1 LYS 14 -8.422 10.844 1.117 109 HE2 LYS 14 HE2 LYS 14 -10.823 9.733 -0.281 110 HE3 LYS 14 HE1 LYS 14 -10.882 10.104 1.439 111 HZ1 LYS 14 HZ1 LYS 14 -10.855 11.885 -0.830 112 HZ2 LYS 14 HZ2 LYS 14 -9.803 12.342 0.413 113 HZ3 LYS 14 HZ3 LYS 14 -11.449 12.133 0.734 114 H SER 15 H SER 15 -7.750 13.533 -3.422 115 HA SER 15 HA SER 15 -9.861 13.512 -5.335 116 HB2 SER 15 HB2 SER 15 -7.874 15.723 -4.802 117 HB3 SER 15 HB1 SER 15 -9.494 15.880 -5.485 118 HG SER 15 HG SER 15 -9.976 16.295 -3.466 119 H LYS 16 H LYS 16 -6.382 13.930 -5.328 120 HA LYS 16 HA LYS 16 -6.286 14.099 -8.158 121 HB2 LYS 16 HB2 LYS 16 -3.914 13.802 -6.347 122 HB3 LYS 16 HB1 LYS 16 -3.965 14.533 -7.946 123 HG2 LYS 16 HG2 LYS 16 -5.403 15.654 -5.553 124 HG3 LYS 16 HG1 LYS 16 -3.783 16.147 -6.053 125 HD2 LYS 16 HD2 LYS 16 -4.606 16.972 -8.141 126 HD3 LYS 16 HD1 LYS 16 -6.204 16.286 -7.842 127 HE2 LYS 16 HE2 LYS 16 -6.415 17.788 -5.873 128 HE3 LYS 16 HE1 LYS 16 -4.882 18.531 -6.326 129 HZ1 LYS 16 HZ1 LYS 16 -7.477 18.651 -7.721 130 HZ2 LYS 16 HZ2 LYS 16 -6.037 18.918 -8.570 131 HZ3 LYS 16 HZ3 LYS 16 -6.450 19.918 -7.271 132 H PHE 17 H PHE 17 -6.472 11.532 -6.051 133 HA PHE 17 HA PHE 17 -4.883 9.775 -7.785 134 HB2 PHE 17 HB2 PHE 17 -5.376 9.852 -4.961 135 HB3 PHE 17 HB1 PHE 17 -5.909 8.301 -5.603 136 HD1 PHE 17 HD1 PHE 17 -4.055 7.625 -7.646 137 HD2 PHE 17 HD2 PHE 17 -3.327 9.620 -3.958 138 HE1 PHE 17 HE1 PHE 17 -1.723 6.841 -7.686 139 HE2 PHE 17 HE2 PHE 17 -0.994 8.839 -3.992 140 HZ PHE 17 HZ PHE 17 -0.189 7.448 -5.858 141 H ASP 18 H ASP 18 -8.103 10.684 -7.278 142 HA ASP 18 HA ASP 18 -10.056 9.950 -8.195 143 HB2 ASP 18 HB2 ASP 18 -8.433 7.855 -9.646 144 HB3 ASP 18 HB1 ASP 18 -10.022 8.473 -10.085 145 H LYS 19 H LYS 19 -8.391 8.425 -5.952 146 HA LYS 19 HA LYS 19 -10.420 6.328 -5.592 147 HB2 LYS 19 HB2 LYS 19 -7.529 6.033 -4.765 148 HB3 LYS 19 HB1 LYS 19 -8.783 4.801 -4.733 149 HG2 LYS 19 HG2 LYS 19 -8.871 4.854 -7.188 150 HG3 LYS 19 HG1 LYS 19 -7.570 6.046 -7.192 151 HD2 LYS 19 HD2 LYS 19 -7.257 3.388 -5.834 152 HD3 LYS 19 HD1 LYS 19 -6.950 3.582 -7.560 153 HE2 LYS 19 HE2 LYS 19 -4.859 4.060 -6.874 154 HE3 LYS 19 HE1 LYS 19 -5.537 5.660 -6.579 155 HZ1 LYS 19 HZ1 LYS 19 -4.573 5.236 -4.574 156 HZ2 LYS 19 HZ2 LYS 19 -4.816 3.564 -4.663 157 HZ3 LYS 19 HZ3 LYS 19 -6.107 4.587 -4.275 158 H ASN 20 H ASN 20 -11.574 7.690 -4.229 159 HA ASN 20 HA ASN 20 -10.225 8.866 -1.957 160 HB2 ASN 20 HB2 ASN 20 -13.122 9.009 -2.781 161 HB3 ASN 20 HB1 ASN 20 -12.368 9.959 -1.505 162 HD21 ASN 20 1HD2 ASN 20 -12.312 11.973 -2.207 163 HD22 ASN 20 2HD2 ASN 20 -11.712 12.491 -3.742 164 H TYR 21 H TYR 21 -9.992 7.929 -0.099 165 HA TYR 21 HA TYR 21 -12.170 6.431 1.070 166 HB2 TYR 21 HB2 TYR 21 -10.433 4.653 1.828 167 HB3 TYR 21 HB1 TYR 21 -11.143 4.525 0.222 168 HD1 TYR 21 HD2 TYR 21 -8.187 5.461 2.125 169 HD2 TYR 21 HD1 TYR 21 -9.760 4.742 -1.743 170 HE1 TYR 21 HE2 TYR 21 -5.928 5.393 1.232 171 HE2 TYR 21 HE1 TYR 21 -7.475 4.695 -2.666 172 HH TYR 21 HH TYR 21 -5.290 4.985 -2.212 173 H GLU 22 H GLU 22 -12.505 7.407 2.818 174 HA GLU 22 HA GLU 22 -10.673 9.103 4.166 175 HB2 GLU 22 HB2 GLU 22 -13.418 8.901 3.931 176 HB3 GLU 22 HB1 GLU 22 -13.119 8.523 5.620 177 HG2 GLU 22 HG2 GLU 22 -11.554 10.792 4.836 178 HG3 GLU 22 HG1 GLU 22 -13.247 11.047 4.415 179 H ALA 23 H ALA 23 -10.945 9.138 6.653 180 HA ALA 23 HA ALA 23 -9.170 7.510 7.829 181 HB1 ALA 23 HB1 ALA 23 -10.645 9.549 8.687 182 HB2 ALA 23 HB2 ALA 23 -9.717 8.511 9.770 183 HB3 ALA 23 HB3 ALA 23 -11.446 8.240 9.556 184 H GLU 24 H GLU 24 -12.656 6.718 7.553 185 HA GLU 24 HA GLU 24 -12.701 4.558 9.302 186 HB2 GLU 24 HB2 GLU 24 -14.591 5.645 7.841 187 HB3 GLU 24 HB1 GLU 24 -14.163 4.385 6.692 188 HG2 GLU 24 HG2 GLU 24 -14.493 2.749 8.612 189 HG3 GLU 24 HG1 GLU 24 -15.264 4.087 9.464 190 H GLU 25 H GLU 25 -12.147 4.428 5.783 191 HA GLU 25 HA GLU 25 -11.174 1.719 5.891 192 HB2 GLU 25 HB2 GLU 25 -12.003 3.557 3.861 193 HB3 GLU 25 HB1 GLU 25 -10.378 3.009 3.473 194 HG2 GLU 25 HG2 GLU 25 -11.233 0.655 3.806 195 HG3 GLU 25 HG1 GLU 25 -12.853 1.351 3.844 196 H ASP 26 H ASP 26 -9.890 4.938 5.701 197 HA ASP 26 HA ASP 26 -7.235 4.518 5.117 198 HB2 ASP 26 HB2 ASP 26 -8.755 6.587 6.579 199 HB3 ASP 26 HB1 ASP 26 -7.001 6.650 6.653 200 H LEU 27 H LEU 27 -8.876 4.020 8.169 201 HA LEU 27 HA LEU 27 -6.876 4.282 10.000 202 HB2 LEU 27 HB2 LEU 27 -9.384 3.423 10.036 203 HB3 LEU 27 HB1 LEU 27 -8.580 1.868 10.209 204 HG LEU 27 HG LEU 27 -7.484 3.867 11.999 205 HD11 LEU 27 1HD1 LEU 27 -10.097 4.336 11.668 206 HD12 LEU 27 2HD1 LEU 27 -9.272 4.531 13.214 207 HD13 LEU 27 3HD1 LEU 27 -10.183 3.059 12.881 208 HD21 LEU 27 3HD2 LEU 27 -7.540 1.186 11.897 209 HD22 LEU 27 1HD2 LEU 27 -8.873 1.473 13.016 210 HD23 LEU 27 2HD2 LEU 27 -7.264 2.096 13.383 211 H MET 28 H MET 28 -7.604 1.275 8.230 212 HA MET 28 HA MET 28 -5.237 -0.047 9.137 213 HB2 MET 28 HB2 MET 28 -5.776 -1.726 7.390 214 HB3 MET 28 HB1 MET 28 -7.150 -1.371 8.429 215 HG2 MET 28 HG2 MET 28 -8.044 0.127 6.696 216 HG3 MET 28 HG1 MET 28 -6.691 -0.308 5.652 217 HE1 MET 28 HE1 MET 28 -9.960 -3.215 7.076 218 HE2 MET 28 HE2 MET 28 -9.497 -1.697 7.845 219 HE3 MET 28 HE3 MET 28 -8.452 -3.110 7.985 220 H ARG 29 H ARG 29 -6.071 2.132 6.626 221 HA ARG 29 HA ARG 29 -3.853 1.627 4.926 222 HB2 ARG 29 HB2 ARG 29 -5.944 3.666 5.126 223 HB3 ARG 29 HB1 ARG 29 -4.584 4.010 4.104 224 HG2 ARG 29 HG2 ARG 29 -5.209 2.499 2.526 225 HG3 ARG 29 HG1 ARG 29 -5.915 1.397 3.720 226 HD2 ARG 29 HD2 ARG 29 -7.922 2.613 3.813 227 HD3 ARG 29 HD1 ARG 29 -7.198 4.030 3.055 228 HE ARG 29 HE ARG 29 -7.252 2.896 0.966 229 HH11 ARG 29 1HH1 ARG 29 -8.974 1.236 3.512 230 HH12 ARG 29 2HH1 ARG 29 -9.763 0.142 2.428 231 HH21 ARG 29 1HH2 ARG 29 -8.251 1.419 -0.449 232 HH22 ARG 29 2HH2 ARG 29 -9.353 0.243 0.184 233 H ARG 30 H ARG 30 -4.476 3.704 7.673 234 HA ARG 30 HA ARG 30 -2.537 5.654 7.370 235 HB2 ARG 30 HB2 ARG 30 -3.040 4.272 10.007 236 HB3 ARG 30 HB1 ARG 30 -2.593 5.951 9.729 237 HG2 ARG 30 HG2 ARG 30 -4.855 6.078 8.478 238 HG3 ARG 30 HG1 ARG 30 -5.231 4.618 9.383 239 HD2 ARG 30 HD2 ARG 30 -5.629 5.784 11.232 240 HD3 ARG 30 HD1 ARG 30 -4.062 6.584 11.120 241 HE ARG 30 HE ARG 30 -5.554 7.907 9.301 242 HH11 ARG 30 1HH1 ARG 30 -6.059 7.112 12.660 243 HH12 ARG 30 2HH1 ARG 30 -7.012 8.522 12.979 244 HH21 ARG 30 1HH2 ARG 30 -6.804 9.762 9.718 245 HH22 ARG 30 2HH2 ARG 30 -7.436 10.027 11.308 246 H ARG 31 H ARG 31 -2.313 2.309 8.305 247 HA ARG 31 HA ARG 31 0.439 2.344 9.045 248 HB2 ARG 31 HB2 ARG 31 -1.195 -0.025 8.131 249 HB3 ARG 31 HB1 ARG 31 0.280 -0.061 9.086 250 HG2 ARG 31 HG2 ARG 31 -2.131 1.374 10.108 251 HG3 ARG 31 HG1 ARG 31 -2.010 -0.381 10.246 252 HD2 ARG 31 HD2 ARG 31 -0.231 -0.279 11.703 253 HD3 ARG 31 HD1 ARG 31 0.284 1.306 11.128 254 HE ARG 31 HE ARG 31 -2.102 1.823 12.283 255 HH11 ARG 31 1HH1 ARG 31 0.759 0.154 13.385 256 HH12 ARG 31 2HH1 ARG 31 0.515 0.574 15.047 257 HH21 ARG 31 1HH2 ARG 31 -2.423 2.377 14.469 258 HH22 ARG 31 2HH2 ARG 31 -1.290 1.835 15.663 259 H ILE 32 H ILE 32 -1.319 1.821 5.992 260 HA ILE 32 HA ILE 32 1.113 0.967 4.639 261 HB ILE 32 HB ILE 32 -0.507 -0.055 3.503 262 HG12 ILE 32 2HG1 ILE 32 -1.202 1.089 1.479 263 HG13 ILE 32 1HG1 ILE 32 -0.697 2.614 2.212 264 HG21 ILE 32 1HG2 ILE 32 -2.778 0.748 3.187 265 HG22 ILE 32 2HG2 ILE 32 -2.353 2.154 4.151 266 HG23 ILE 32 3HG2 ILE 32 -2.310 0.548 4.873 267 HD11 ILE 32 3HD1 ILE 32 1.368 2.271 1.538 268 HD12 ILE 32 1HD1 ILE 32 0.752 0.844 0.729 269 HD13 ILE 32 2HD1 ILE 32 1.406 0.709 2.350 270 H TYR 33 H TYR 33 -0.747 3.791 5.125 271 HA TYR 33 HA TYR 33 0.512 5.362 3.237 272 HB2 TYR 33 HB2 TYR 33 -1.584 5.920 4.681 273 HB3 TYR 33 HB1 TYR 33 -0.394 6.594 5.796 274 HD1 TYR 33 HD2 TYR 33 1.100 6.934 2.762 275 HD2 TYR 33 HD1 TYR 33 -2.145 8.578 4.955 276 HE1 TYR 33 HE2 TYR 33 1.187 8.920 1.357 277 HE2 TYR 33 HE1 TYR 33 -2.035 10.614 3.579 278 HH TYR 33 HH TYR 33 0.557 11.351 1.579 279 H ALA 34 H ALA 34 1.433 4.406 6.452 280 HA ALA 34 HA ALA 34 3.359 6.276 7.052 281 HB1 ALA 34 HB1 ALA 34 3.857 4.973 8.809 282 HB2 ALA 34 HB2 ALA 34 4.086 3.545 7.801 283 HB3 ALA 34 HB3 ALA 34 2.461 4.042 8.270 284 H GLU 35 H GLU 35 3.814 3.258 5.330 285 HA GLU 35 HA GLU 35 6.556 3.515 4.837 286 HB2 GLU 35 HB2 GLU 35 5.975 2.077 2.767 287 HB3 GLU 35 HB1 GLU 35 5.682 1.411 4.372 288 HG2 GLU 35 HG2 GLU 35 3.367 2.842 3.646 289 HG3 GLU 35 HG1 GLU 35 3.844 1.856 2.244 290 H SER 36 H SER 36 3.797 4.970 3.242 291 HA SER 36 HA SER 36 4.756 5.619 0.767 292 HB2 SER 36 HB2 SER 36 3.172 7.503 2.522 293 HB3 SER 36 HB1 SER 36 3.256 7.529 0.761 294 HG SER 36 HG SER 36 2.248 5.380 2.312 295 H LYS 37 H LYS 37 5.152 7.693 3.670 296 HA LYS 37 HA LYS 37 6.791 9.577 2.377 297 HB2 LYS 37 HB2 LYS 37 7.340 8.936 5.212 298 HB3 LYS 37 HB1 LYS 37 7.207 10.501 4.438 299 HG2 LYS 37 HG2 LYS 37 5.011 8.705 5.410 300 HG3 LYS 37 HG1 LYS 37 5.346 10.380 5.847 301 HD2 LYS 37 HD2 LYS 37 4.833 9.995 2.990 302 HD3 LYS 37 HD1 LYS 37 3.473 9.547 4.018 303 HE2 LYS 37 HE2 LYS 37 3.750 11.785 5.149 304 HE3 LYS 37 HE1 LYS 37 4.884 12.201 3.864 305 HZ1 LYS 37 HZ1 LYS 37 2.814 11.349 2.430 306 HZ2 LYS 37 HZ2 LYS 37 3.021 12.965 2.885 307 HZ3 LYS 37 HZ3 LYS 37 1.989 11.963 3.774 308 H ALA 38 H ALA 38 7.514 6.534 4.019 309 HA ALA 38 HA ALA 38 10.299 6.623 3.984 310 HB1 ALA 38 HB1 ALA 38 9.090 4.028 3.309 311 HB2 ALA 38 HB2 ALA 38 8.499 4.783 4.790 312 HB3 ALA 38 HB3 ALA 38 10.220 4.446 4.597 313 H ARG 39 H ARG 39 7.958 5.845 1.595 314 HA ARG 39 HA ARG 39 9.736 5.041 -0.467 315 HB2 ARG 39 HB2 ARG 39 6.966 6.123 -0.772 316 HB3 ARG 39 HB1 ARG 39 7.795 4.981 -1.829 317 HG2 ARG 39 HG2 ARG 39 7.618 4.046 0.921 318 HG3 ARG 39 HG1 ARG 39 6.030 4.333 0.188 319 HD2 ARG 39 HD2 ARG 39 6.701 2.936 -1.737 320 HD3 ARG 39 HD1 ARG 39 8.234 2.603 -0.932 321 HE ARG 39 HE ARG 39 6.054 1.926 0.745 322 HH11 ARG 39 1HH1 ARG 39 7.801 0.824 -2.068 323 HH12 ARG 39 2HH1 ARG 39 7.418 -0.844 -1.807 324 HH21 ARG 39 1HH2 ARG 39 5.549 -0.267 1.090 325 HH22 ARG 39 2HH2 ARG 39 6.139 -1.464 -0.014 326 H ILE 40 H ILE 40 8.331 8.061 0.624 327 HA ILE 40 HA ILE 40 8.981 9.518 -1.727 328 HB ILE 40 HB ILE 40 8.431 10.448 1.082 329 HG12 ILE 40 2HG1 ILE 40 6.323 9.907 0.531 330 HG13 ILE 40 1HG1 ILE 40 6.372 11.161 -0.693 331 HG21 ILE 40 1HG2 ILE 40 8.324 12.159 -1.388 332 HG22 ILE 40 2HG2 ILE 40 9.774 12.045 -0.392 333 HG23 ILE 40 3HG2 ILE 40 8.275 12.662 0.302 334 HD11 ILE 40 3HD1 ILE 40 5.642 8.778 -1.358 335 HD12 ILE 40 1HD1 ILE 40 7.370 8.377 -1.318 336 HD13 ILE 40 2HD1 ILE 40 6.762 9.641 -2.405 337 H GLU 41 H GLU 41 10.580 8.617 1.143 338 HA GLU 41 HA GLU 41 12.961 10.193 0.762 339 HB2 GLU 41 HB2 GLU 41 12.186 7.904 2.553 340 HB3 GLU 41 HB1 GLU 41 13.870 8.388 2.418 341 HG2 GLU 41 HG2 GLU 41 13.574 10.176 3.710 342 HG3 GLU 41 HG1 GLU 41 12.082 10.631 2.891 343 H GLU 42 H GLU 42 11.621 7.259 -0.308 344 HA GLU 42 HA GLU 42 13.612 5.527 -0.954 345 HB2 GLU 42 HB2 GLU 42 11.181 5.151 -1.185 346 HB3 GLU 42 HB1 GLU 42 11.141 6.309 -2.478 347 HG2 GLU 42 HG2 GLU 42 11.546 4.826 -3.993 348 HG3 GLU 42 HG1 GLU 42 13.027 4.304 -3.166 349 H HIS 43 H HIS 43 12.103 7.579 -3.445 350 HA HIS 43 HA HIS 43 14.293 7.106 -5.240 351 HB2 HIS 43 HB2 HIS 43 11.659 8.481 -5.388 352 HB3 HIS 43 HB1 HIS 43 12.852 8.768 -6.650 353 HD1 HIS 43 HD1 HIS 43 13.971 6.003 -7.108 354 HD2 HIS 43 HD2 HIS 43 9.922 6.733 -6.534 355 HE1 HIS 43 HE1 HIS 43 12.782 4.046 -8.146 356 HE2 HIS 43 HE2 HIS 43 10.337 4.468 -7.710 357 H ASN 44 H ASN 44 13.191 9.714 -3.239 358 HA ASN 44 HA ASN 44 14.628 11.769 -4.467 359 HB2 ASN 44 HB2 ASN 44 13.056 11.392 -2.084 360 HB3 ASN 44 HB1 ASN 44 14.429 12.463 -1.785 361 HD21 ASN 44 1HD2 ASN 44 14.517 14.426 -2.763 362 HD22 ASN 44 2HD2 ASN 44 13.197 15.110 -3.650 363 H ARG 45 H ARG 45 15.571 9.320 -2.208 364 HA ARG 45 HA ARG 45 18.128 10.583 -1.642 365 HB2 ARG 45 HB2 ARG 45 16.652 8.188 -0.669 366 HB3 ARG 45 HB1 ARG 45 18.402 8.204 -0.499 367 HG2 ARG 45 HG2 ARG 45 16.596 10.380 0.529 368 HG3 ARG 45 HG1 ARG 45 17.150 9.012 1.497 369 HD2 ARG 45 HD2 ARG 45 19.398 10.208 0.201 370 HD3 ARG 45 HD1 ARG 45 18.467 11.466 1.010 371 HE ARG 45 HE ARG 45 18.996 10.526 3.055 372 HH11 ARG 45 1HH1 ARG 45 20.094 8.450 0.467 373 HH12 ARG 45 2HH1 ARG 45 21.070 7.469 1.507 374 HH21 ARG 45 1HH2 ARG 45 20.279 9.233 4.416 375 HH22 ARG 45 2HH2 ARG 45 21.175 7.911 3.746 376 H LYS 46 H LYS 46 16.771 8.398 -3.858 377 HA LYS 46 HA LYS 46 18.952 6.722 -4.466 378 HB2 LYS 46 HB2 LYS 46 16.285 7.214 -5.230 379 HB3 LYS 46 HB1 LYS 46 17.237 7.067 -6.684 380 HG2 LYS 46 HG2 LYS 46 17.873 4.877 -6.225 381 HG3 LYS 46 HG1 LYS 46 17.477 5.033 -4.511 382 HD2 LYS 46 HD2 LYS 46 15.070 5.278 -5.196 383 HD3 LYS 46 HD1 LYS 46 15.567 4.849 -6.835 384 HE2 LYS 46 HE2 LYS 46 14.848 2.829 -5.904 385 HE3 LYS 46 HE1 LYS 46 16.606 2.766 -5.780 386 HZ1 LYS 46 HZ1 LYS 46 16.070 3.831 -3.445 387 HZ2 LYS 46 HZ2 LYS 46 16.054 2.156 -3.681 388 HZ3 LYS 46 HZ3 LYS 46 14.602 3.023 -3.670 389 H PHE 47 H PHE 47 17.688 9.455 -6.452 390 HA PHE 47 HA PHE 47 19.940 9.455 -8.200 391 HB2 PHE 47 HB2 PHE 47 19.169 11.641 -8.960 392 HB3 PHE 47 HB1 PHE 47 17.827 10.506 -8.935 393 HD1 PHE 47 HD1 PHE 47 19.287 13.476 -7.351 394 HD2 PHE 47 HD2 PHE 47 16.022 10.775 -7.471 395 HE1 PHE 47 HE1 PHE 47 17.947 15.059 -6.023 396 HE2 PHE 47 HE2 PHE 47 14.657 12.349 -6.151 397 HZ PHE 47 HZ PHE 47 15.624 14.494 -5.420 398 H GLU 48 H GLU 48 18.863 10.807 -5.323 399 HA GLU 48 HA GLU 48 20.677 12.754 -4.719 400 HB2 GLU 48 HB2 GLU 48 18.673 11.146 -3.501 401 HB3 GLU 48 HB1 GLU 48 20.100 11.113 -2.440 402 HG2 GLU 48 HG2 GLU 48 20.107 13.668 -2.664 403 HG3 GLU 48 HG1 GLU 48 18.472 13.483 -3.298 404 H LYS 49 H LYS 49 21.092 9.463 -5.339 405 HA LYS 49 HA LYS 49 23.630 9.231 -3.935 406 HB2 LYS 49 HB2 LYS 49 21.542 7.462 -4.202 407 HB3 LYS 49 HB1 LYS 49 22.711 6.889 -5.384 408 HG2 LYS 49 HG2 LYS 49 24.235 7.387 -3.128 409 HG3 LYS 49 HG1 LYS 49 22.740 6.694 -2.495 410 HD2 LYS 49 HD2 LYS 49 23.887 4.766 -2.906 411 HD3 LYS 49 HD1 LYS 49 23.135 4.985 -4.488 412 HE2 LYS 49 HE2 LYS 49 25.099 5.386 -5.500 413 HE3 LYS 49 HE1 LYS 49 25.691 6.378 -4.169 414 HZ1 LYS 49 HZ1 LYS 49 25.765 3.978 -3.044 415 HZ2 LYS 49 HZ2 LYS 49 27.068 4.634 -3.901 416 HZ3 LYS 49 HZ3 LYS 49 26.031 3.533 -4.655 417 H GLY 50 H GLY 50 22.963 10.701 -6.580 418 HA2 GLY 50 HA2 GLY 50 23.933 10.936 -8.677 419 HA3 GLY 50 HA1 GLY 50 25.388 10.293 -7.908 420 H GLU 51 H GLU 51 22.380 8.674 -8.007 421 HA GLU 51 HA GLU 51 23.532 6.371 -9.305 422 HB2 GLU 51 HB2 GLU 51 21.680 6.941 -7.229 423 HB3 GLU 51 HB1 GLU 51 20.775 6.111 -8.515 424 HG2 GLU 51 HG2 GLU 51 22.304 4.243 -8.457 425 HG3 GLU 51 HG1 GLU 51 23.323 5.077 -7.285 426 H VAL 52 H VAL 52 20.466 8.150 -9.603 427 HA VAL 52 HA VAL 52 20.503 8.155 -12.481 428 HB VAL 52 HB VAL 52 19.053 6.467 -12.848 429 HG11 VAL 52 1HG1 VAL 52 19.065 6.014 -9.892 430 HG12 VAL 52 2HG1 VAL 52 20.222 5.324 -11.035 431 HG13 VAL 52 3HG1 VAL 52 18.522 4.847 -11.099 432 HG21 VAL 52 3HG2 VAL 52 16.849 6.353 -11.517 433 HG22 VAL 52 1HG2 VAL 52 17.123 7.696 -12.621 434 HG23 VAL 52 2HG2 VAL 52 17.343 7.928 -10.880 435 H THR 53 H THR 53 18.215 9.203 -13.068 436 HA THR 53 HA THR 53 17.680 10.992 -10.805 437 HB THR 53 HB THR 53 18.651 12.017 -12.809 438 HG1 THR 53 HG1 THR 53 17.157 13.116 -11.334 439 HG21 THR 53 3HG2 THR 53 17.294 10.539 -14.421 440 HG22 THR 53 1HG2 THR 53 17.562 12.230 -14.845 441 HG23 THR 53 2HG2 THR 53 16.008 11.722 -14.181 442 H TRP 54 H TRP 54 16.278 9.778 -9.832 443 HA TRP 54 HA TRP 54 13.617 9.514 -11.022 444 HB2 TRP 54 HB2 TRP 54 13.406 7.297 -9.707 445 HB3 TRP 54 HB1 TRP 54 14.247 7.281 -11.249 446 HD1 TRP 54 HD TRP 54 16.548 8.692 -8.727 447 HE1 TRP 54 HE1 TRP 54 18.239 6.916 -7.961 448 HE3 TRP 54 HE3 TRP 54 14.217 4.530 -10.565 449 HZ2 TRP 54 HZ2 TRP 54 18.517 4.108 -8.076 450 HZ3 TRP 54 HZ3 TRP 54 15.256 2.334 -10.180 451 HH2 TRP 54 HH TRP 54 17.361 2.129 -8.962 452 H LYS 55 H LYS 55 12.079 10.324 -9.755 453 HA LYS 55 HA LYS 55 12.709 10.728 -6.913 454 HB2 LYS 55 HB2 LYS 55 10.500 12.313 -7.366 455 HB3 LYS 55 HB1 LYS 55 12.176 12.855 -7.199 456 HG2 LYS 55 HG2 LYS 55 12.405 12.416 -9.677 457 HG3 LYS 55 HG1 LYS 55 10.640 12.380 -9.721 458 HD2 LYS 55 HD2 LYS 55 10.456 14.616 -9.343 459 HD3 LYS 55 HD1 LYS 55 11.892 14.667 -8.319 460 HE2 LYS 55 HE2 LYS 55 12.416 15.890 -10.280 461 HE3 LYS 55 HE1 LYS 55 13.258 14.347 -10.407 462 HZ1 LYS 55 HZ1 LYS 55 10.763 15.148 -11.795 463 HZ2 LYS 55 HZ2 LYS 55 11.360 13.565 -11.789 464 HZ3 LYS 55 HZ3 LYS 55 12.265 14.807 -12.496 465 H MET 56 H MET 56 11.061 10.691 -5.454 466 HA MET 56 HA MET 56 9.510 8.332 -5.498 467 HB2 MET 56 HB2 MET 56 8.286 9.821 -3.626 468 HB3 MET 56 HB1 MET 56 9.794 8.972 -3.326 469 HG2 MET 56 HG2 MET 56 9.763 11.279 -2.482 470 HG3 MET 56 HG1 MET 56 11.020 11.020 -3.688 471 HE1 MET 56 HE1 MET 56 10.190 13.604 -2.613 472 HE2 MET 56 HE2 MET 56 8.446 13.837 -2.755 473 HE3 MET 56 HE3 MET 56 9.543 14.722 -3.815 474 H GLY 57 H GLY 57 6.962 8.581 -4.965 475 HA2 GLY 57 HA2 GLY 57 5.690 10.794 -6.284 476 HA3 GLY 57 HA1 GLY 57 5.584 9.289 -7.184 477 H ILE 58 H ILE 58 5.670 8.582 -3.897 478 HA ILE 58 HA ILE 58 4.083 7.835 -2.426 479 HB ILE 58 HB ILE 58 2.517 9.956 -3.833 480 HG12 ILE 58 2HG1 ILE 58 4.655 10.521 -2.465 481 HG13 ILE 58 1HG1 ILE 58 3.208 11.489 -2.211 482 HG21 ILE 58 1HG2 ILE 58 0.761 8.918 -2.853 483 HG22 ILE 58 2HG2 ILE 58 1.302 9.815 -1.433 484 HG23 ILE 58 3HG2 ILE 58 1.772 8.128 -1.642 485 HD11 ILE 58 3HD1 ILE 58 4.439 10.831 -0.138 486 HD12 ILE 58 1HD1 ILE 58 3.966 9.162 -0.461 487 HD13 ILE 58 2HD1 ILE 58 2.733 10.388 -0.165 488 H ASN 59 H ASN 59 3.896 5.791 -3.450 489 HA ASN 59 HA ASN 59 2.409 5.506 -5.749 490 HB2 ASN 59 HB2 ASN 59 2.850 3.315 -3.712 491 HB3 ASN 59 HB1 ASN 59 2.546 3.110 -5.434 492 HD21 ASN 59 1HD2 ASN 59 4.342 2.251 -6.218 493 HD22 ASN 59 2HD2 ASN 59 5.936 2.882 -6.004 494 H HIS 60 H HIS 60 0.324 4.551 -6.117 495 HA HIS 60 HA HIS 60 -1.753 5.667 -4.684 496 HB2 HIS 60 HB2 HIS 60 -3.186 3.894 -5.822 497 HB3 HIS 60 HB1 HIS 60 -2.222 4.921 -6.874 498 HD1 HIS 60 HD1 HIS 60 -0.051 3.800 -7.920 499 HD2 HIS 60 HD2 HIS 60 -2.671 1.203 -6.010 500 HE1 HIS 60 HE1 HIS 60 0.604 1.497 -8.691 501 HE2 HIS 60 HE2 HIS 60 -1.053 -0.050 -7.592 502 H LEU 61 H LEU 61 -0.713 2.232 -4.528 503 HA LEU 61 HA LEU 61 -2.489 1.728 -2.382 504 HB2 LEU 61 HB2 LEU 61 -1.521 -0.376 -2.088 505 HB3 LEU 61 HB1 LEU 61 -1.599 -0.093 -3.817 506 HG LEU 61 HG LEU 61 0.459 -1.228 -2.679 507 HD11 LEU 61 1HD1 LEU 61 0.602 0.814 -4.877 508 HD12 LEU 61 2HD1 LEU 61 0.372 -0.928 -5.022 509 HD13 LEU 61 3HD1 LEU 61 1.924 -0.285 -4.488 510 HD21 LEU 61 3HD2 LEU 61 1.373 1.624 -2.499 511 HD22 LEU 61 1HD2 LEU 61 2.282 0.171 -2.103 512 HD23 LEU 61 2HD2 LEU 61 0.907 0.638 -1.106 513 H ALA 62 H ALA 62 0.294 3.585 -2.411 514 HA ALA 62 HA ALA 62 1.509 2.696 -0.073 515 HB1 ALA 62 HB1 ALA 62 2.607 4.727 0.159 516 HB2 ALA 62 HB2 ALA 62 1.455 5.571 -0.898 517 HB3 ALA 62 HB3 ALA 62 2.552 4.356 -1.572 518 H ASP 63 H ASP 63 -1.574 3.589 -0.384 519 HA ASP 63 HA ASP 63 -1.675 4.498 2.380 520 HB2 ASP 63 HB2 ASP 63 -2.439 6.068 0.470 521 HB3 ASP 63 HB1 ASP 63 -3.833 5.014 0.338 522 H LEU 64 H LEU 64 -2.636 2.380 -0.141 523 HA LEU 64 HA LEU 64 -3.870 0.711 1.905 524 HB2 LEU 64 HB2 LEU 64 -5.534 0.004 0.312 525 HB3 LEU 64 HB1 LEU 64 -5.716 1.694 0.742 526 HG LEU 64 HG LEU 64 -4.137 1.937 -1.414 527 HD11 LEU 64 1HD1 LEU 64 -3.910 -0.008 -2.370 528 HD12 LEU 64 2HD1 LEU 64 -5.496 0.344 -3.070 529 HD13 LEU 64 3HD1 LEU 64 -5.366 -0.695 -1.645 530 HD21 LEU 64 3HD2 LEU 64 -6.728 2.594 -0.762 531 HD22 LEU 64 1HD2 LEU 64 -6.915 1.677 -2.254 532 HD23 LEU 64 2HD2 LEU 64 -5.874 3.098 -2.217 533 H THR 65 H THR 65 -2.167 -0.538 1.952 534 HA THR 65 HA THR 65 -1.399 -1.989 -0.480 535 HB THR 65 HB THR 65 0.352 -2.844 1.508 536 HG1 THR 65 HG1 THR 65 0.924 -1.191 2.705 537 HG21 THR 65 3HG2 THR 65 1.646 -0.672 0.353 538 HG22 THR 65 1HG2 THR 65 0.536 -1.281 -0.869 539 HG23 THR 65 2HG2 THR 65 1.720 -2.361 -0.141 540 HA PRO 66 HA PRO 66 -2.623 -6.185 0.863 541 HB2 PRO 66 HB2 PRO 66 -0.478 -6.924 2.568 542 HB3 PRO 66 HB1 PRO 66 -0.647 -7.340 0.855 543 HG2 PRO 66 HG2 PRO 66 0.697 -4.949 2.098 544 HG3 PRO 66 HG1 PRO 66 1.337 -6.041 0.826 545 HD2 PRO 66 HD2 PRO 66 0.388 -3.793 0.010 546 HD3 PRO 66 HD1 PRO 66 -0.369 -5.232 -0.718 547 H GLU 67 H GLU 67 -1.200 -3.949 3.177 548 HA GLU 67 HA GLU 67 -2.221 -4.899 5.612 549 HB2 GLU 67 HB2 GLU 67 -2.446 -1.964 5.090 550 HB3 GLU 67 HB1 GLU 67 -1.641 -2.798 6.437 551 HG2 GLU 67 HG2 GLU 67 -0.624 -2.117 3.709 552 HG3 GLU 67 HG1 GLU 67 0.029 -1.647 5.281 553 H GLU 68 H GLU 68 -3.334 -2.515 3.391 554 HA GLU 68 HA GLU 68 -6.026 -2.357 4.402 555 HB2 GLU 68 HB2 GLU 68 -4.915 -0.395 3.513 556 HB3 GLU 68 HB1 GLU 68 -4.683 -1.199 1.966 557 HG2 GLU 68 HG2 GLU 68 -7.428 -0.819 3.079 558 HG3 GLU 68 HG1 GLU 68 -6.600 0.468 2.199 559 H PHE 69 H PHE 69 -4.450 -3.418 1.472 560 HA PHE 69 HA PHE 69 -6.543 -4.263 -0.064 561 HB2 PHE 69 HB2 PHE 69 -3.654 -4.816 0.128 562 HB3 PHE 69 HB1 PHE 69 -4.580 -6.033 -0.738 563 HD1 PHE 69 HD1 PHE 69 -6.106 -5.196 -2.614 564 HD2 PHE 69 HD2 PHE 69 -2.906 -2.852 -0.982 565 HE1 PHE 69 HE1 PHE 69 -6.052 -3.837 -4.659 566 HE2 PHE 69 HE2 PHE 69 -2.872 -1.514 -3.037 567 HZ PHE 69 HZ PHE 69 -4.436 -1.994 -4.871 568 H ALA 70 H ALA 70 -4.677 -6.248 2.237 569 HA ALA 70 HA ALA 70 -6.376 -8.534 1.813 570 HB1 ALA 70 HB1 ALA 70 -4.550 -8.525 4.122 571 HB2 ALA 70 HB2 ALA 70 -3.802 -8.301 2.541 572 HB3 ALA 70 HB3 ALA 70 -4.783 -9.732 2.859 573 H GLN 71 H GLN 71 -6.371 -5.845 3.982 574 HA GLN 71 HA GLN 71 -8.172 -7.258 5.819 575 HB2 GLN 71 HB2 GLN 71 -6.065 -5.809 6.492 576 HB3 GLN 71 HB1 GLN 71 -7.218 -4.488 6.365 577 HG2 GLN 71 HG2 GLN 71 -7.562 -4.966 8.532 578 HG3 GLN 71 HG1 GLN 71 -8.653 -6.178 7.863 579 HE21 GLN 71 1HE2 GLN 71 -8.464 -8.056 8.828 580 HE22 GLN 71 2HE2 GLN 71 -7.007 -8.752 9.442 581 H ARG 72 H ARG 72 -8.380 -5.279 3.150 582 HA ARG 72 HA ARG 72 -10.699 -3.786 4.054 583 HB2 ARG 72 HB2 ARG 72 -10.671 -2.740 1.863 584 HB3 ARG 72 HB1 ARG 72 -9.062 -2.690 2.565 585 HG2 ARG 72 HG2 ARG 72 -8.246 -3.640 0.744 586 HG3 ARG 72 HG1 ARG 72 -9.231 -5.069 1.050 587 HD2 ARG 72 HD2 ARG 72 -11.093 -4.041 -0.162 588 HD3 ARG 72 HD1 ARG 72 -10.104 -2.614 -0.468 589 HE ARG 72 HE ARG 72 -8.620 -4.619 -1.506 590 HH11 ARG 72 1HH1 ARG 72 -11.952 -3.665 -1.923 591 HH12 ARG 72 2HH1 ARG 72 -12.044 -4.242 -3.552 592 HH21 ARG 72 1HH2 ARG 72 -8.741 -5.378 -3.651 593 HH22 ARG 72 2HH2 ARG 72 -10.222 -5.215 -4.534 594 H SER 73 H SER 73 -9.831 -6.531 2.095 595 HA SER 73 HA SER 73 -12.241 -7.825 2.371 596 HB2 SER 73 HB2 SER 73 -12.626 -5.745 0.625 597 HB3 SER 73 HB1 SER 73 -12.271 -7.078 -0.473 598 HG SER 73 HG SER 73 -13.954 -8.248 0.492 599 H GLY 74 H GLY 74 -9.541 -8.476 2.448 600 HA2 GLY 74 HA2 GLY 74 -9.168 -10.181 0.072 601 HA3 GLY 74 HA1 GLY 74 -7.882 -9.657 1.150 602 H LYS 75 H LYS 75 -8.859 -10.259 3.616 603 HA LYS 75 HA LYS 75 -9.124 -13.189 3.483 604 HB2 LYS 75 HB2 LYS 75 -7.092 -11.866 4.616 605 HB3 LYS 75 HB1 LYS 75 -8.200 -11.872 5.982 606 HG2 LYS 75 HG2 LYS 75 -8.303 -14.472 5.122 607 HG3 LYS 75 HG1 LYS 75 -6.616 -14.034 4.843 608 HD2 LYS 75 HD2 LYS 75 -6.160 -13.886 7.047 609 HD3 LYS 75 HD1 LYS 75 -7.726 -13.167 7.426 610 HE2 LYS 75 HE2 LYS 75 -8.791 -15.271 7.478 611 HE3 LYS 75 HE1 LYS 75 -7.422 -16.068 6.704 612 HZ1 LYS 75 HZ1 LYS 75 -6.867 -14.744 9.231 613 HZ2 LYS 75 HZ2 LYS 75 -6.309 -16.227 8.638 614 HZ3 LYS 75 HZ3 LYS 75 -7.853 -16.117 9.321 615 H LYS 76 H LYS 76 -10.340 -10.250 4.949 616 HA LYS 76 HA LYS 76 -12.259 -9.780 6.073 617 HB2 LYS 76 HB2 LYS 76 -12.914 -11.935 4.322 618 HB3 LYS 76 HB1 LYS 76 -13.748 -12.200 5.846 619 HG2 LYS 76 HG2 LYS 76 -13.881 -9.463 4.763 620 HG3 LYS 76 HG1 LYS 76 -14.730 -10.709 3.846 621 HD2 LYS 76 HD2 LYS 76 -16.105 -11.265 5.674 622 HD3 LYS 76 HD1 LYS 76 -15.068 -10.409 6.817 623 HE2 LYS 76 HE2 LYS 76 -16.413 -8.929 4.592 624 HE3 LYS 76 HE1 LYS 76 -17.306 -9.331 6.057 625 HZ1 LYS 76 HZ1 LYS 76 -15.211 -7.378 5.647 626 HZ2 LYS 76 HZ2 LYS 76 -15.059 -8.284 7.067 627 HZ3 LYS 76 HZ3 LYS 76 -16.469 -7.397 6.778 628 H VAL 77 H VAL 77 -12.866 -9.856 8.174 629 HA VAL 77 HA VAL 77 -11.797 -12.082 9.772 630 HB VAL 77 HB VAL 77 -10.830 -9.895 10.316 631 HG11 VAL 77 1HG1 VAL 77 -12.773 -8.526 9.658 632 HG12 VAL 77 2HG1 VAL 77 -12.163 -8.112 11.260 633 HG13 VAL 77 3HG1 VAL 77 -13.627 -9.082 11.096 634 HG21 VAL 77 3HG2 VAL 77 -10.990 -11.524 12.090 635 HG22 VAL 77 1HG2 VAL 77 -12.641 -11.019 12.449 636 HG23 VAL 77 2HG2 VAL 77 -11.297 -9.916 12.744 637 HA PRO 78 HA PRO 78 -16.057 -13.101 10.625 638 HB2 PRO 78 HB2 PRO 78 -15.635 -15.040 12.448 639 HB3 PRO 78 HB1 PRO 78 -15.312 -15.281 10.727 640 HG2 PRO 78 HG2 PRO 78 -13.400 -14.644 12.941 641 HG3 PRO 78 HG1 PRO 78 -13.225 -15.806 11.612 642 HD2 PRO 78 HD2 PRO 78 -12.083 -13.334 11.591 643 HD3 PRO 78 HD1 PRO 78 -12.581 -14.186 10.116 644 HA PRO 79 HA PRO 79 -16.583 -10.468 14.245 645 HB2 PRO 79 HB2 PRO 79 -19.293 -10.376 14.173 646 HB3 PRO 79 HB1 PRO 79 -18.274 -9.422 13.089 647 HG2 PRO 79 HG2 PRO 79 -19.688 -12.010 12.570 648 HG3 PRO 79 HG1 PRO 79 -19.560 -10.576 11.533 649 HD2 PRO 79 HD2 PRO 79 -18.021 -12.776 11.176 650 HD3 PRO 79 HD1 PRO 79 -17.446 -11.139 10.804 651 H ASN 80 H ASN 80 -17.592 -10.644 16.347 652 HA ASN 80 HA ASN 80 -17.760 -13.407 17.224 653 HB2 ASN 80 HB2 ASN 80 -17.618 -10.771 18.679 654 HB3 ASN 80 HB1 ASN 80 -17.922 -12.287 19.521 655 HD21 ASN 80 1HD2 ASN 80 -15.694 -10.524 19.856 656 HD22 ASN 80 2HD2 ASN 80 -14.273 -11.420 19.451 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 7.748 5.200 12.181 2 H2 MET 1 HT2 MET 1 8.239 5.124 13.823 3 H3 MET 1 HT3 MET 1 7.308 6.453 13.266 4 HA MET 1 HA MET 1 6.518 3.721 13.869 5 HB2 MET 1 HB2 MET 1 5.078 6.360 14.174 6 HB3 MET 1 HB1 MET 1 4.715 4.843 14.985 7 HG2 MET 1 HG2 MET 1 6.158 5.255 16.619 8 HG3 MET 1 HG1 MET 1 7.428 5.720 15.491 9 HE1 MET 1 HE1 MET 1 6.008 7.027 18.541 10 HE2 MET 1 HE2 MET 1 6.829 8.571 18.312 11 HE3 MET 1 HE3 MET 1 7.686 7.062 17.999 12 H MET 2 H MET 2 3.818 3.991 13.429 13 HA MET 2 HA MET 2 3.696 4.017 10.491 14 HB2 MET 2 HB2 MET 2 1.623 2.571 10.885 15 HB3 MET 2 HB1 MET 2 3.190 1.842 11.208 16 HG2 MET 2 HG2 MET 2 1.932 3.166 13.506 17 HG3 MET 2 HG1 MET 2 1.080 1.753 12.889 18 HE1 MET 2 HE1 MET 2 2.246 -0.617 15.046 19 HE2 MET 2 HE2 MET 2 1.111 0.719 14.847 20 HE3 MET 2 HE3 MET 2 2.418 0.841 16.025 21 H SER 3 H SER 3 2.731 5.773 13.173 22 HA SER 3 HA SER 3 0.226 6.686 11.987 23 HB2 SER 3 HB2 SER 3 0.430 8.186 14.206 24 HB3 SER 3 HB1 SER 3 -0.210 6.543 14.223 25 HG SER 3 HG SER 3 2.528 7.149 14.633 26 H LEU 4 H LEU 4 3.084 7.322 11.025 27 HA LEU 4 HA LEU 4 3.511 10.093 11.450 28 HB2 LEU 4 HB2 LEU 4 4.422 8.956 8.874 29 HB3 LEU 4 HB1 LEU 4 5.294 9.920 10.053 30 HG LEU 4 HG LEU 4 4.736 6.961 10.294 31 HD11 LEU 4 1HD1 LEU 4 6.919 6.557 9.661 32 HD12 LEU 4 2HD1 LEU 4 7.433 8.210 9.997 33 HD13 LEU 4 3HD1 LEU 4 6.450 7.865 8.574 34 HD21 LEU 4 3HD2 LEU 4 5.586 6.994 12.382 35 HD22 LEU 4 1HD2 LEU 4 5.049 8.674 12.359 36 HD23 LEU 4 2HD2 LEU 4 6.733 8.280 12.009 37 H VAL 5 H VAL 5 1.881 8.261 8.913 38 HA VAL 5 HA VAL 5 0.852 10.808 7.861 39 HB VAL 5 HB VAL 5 0.743 8.519 6.037 40 HG11 VAL 5 1HG1 VAL 5 2.148 10.955 5.306 41 HG12 VAL 5 2HG1 VAL 5 0.496 11.227 5.868 42 HG13 VAL 5 3HG1 VAL 5 0.813 10.147 4.508 43 HG21 VAL 5 3HG2 VAL 5 3.438 9.736 6.599 44 HG22 VAL 5 1HG2 VAL 5 3.052 8.418 5.495 45 HG23 VAL 5 2HG2 VAL 5 2.934 8.174 7.235 46 H SER 6 H SER 6 -1.150 11.076 8.461 47 HA SER 6 HA SER 6 -2.947 8.784 8.668 48 HB2 SER 6 HB2 SER 6 -2.912 11.541 9.772 49 HB3 SER 6 HB1 SER 6 -4.496 10.849 9.423 50 HG SER 6 HG SER 6 -2.977 10.398 11.522 51 H ASP 7 H ASP 7 -5.286 9.374 7.948 52 HA ASP 7 HA ASP 7 -5.445 9.446 5.202 53 HB2 ASP 7 HB2 ASP 7 -7.845 10.053 5.518 54 HB3 ASP 7 HB1 ASP 7 -7.320 8.714 6.534 55 H GLU 8 H GLU 8 -4.936 12.066 7.361 56 HA GLU 8 HA GLU 8 -5.989 14.272 6.125 57 HB2 GLU 8 HB2 GLU 8 -3.252 14.089 7.397 58 HB3 GLU 8 HB1 GLU 8 -4.232 15.547 7.219 59 HG2 GLU 8 HG2 GLU 8 -5.772 13.577 8.582 60 HG3 GLU 8 HG1 GLU 8 -4.195 13.705 9.358 61 H GLU 9 H GLU 9 -2.656 13.074 5.604 62 HA GLU 9 HA GLU 9 -2.156 14.874 3.480 63 HB2 GLU 9 HB2 GLU 9 -0.783 12.296 4.247 64 HB3 GLU 9 HB1 GLU 9 -0.180 13.410 3.028 65 HG2 GLU 9 HG2 GLU 9 -0.656 14.951 5.320 66 HG3 GLU 9 HG1 GLU 9 0.135 13.476 5.873 67 H TRP 10 H TRP 10 -3.617 11.724 3.628 68 HA TRP 10 HA TRP 10 -3.370 11.283 0.794 69 HB2 TRP 10 HB2 TRP 10 -3.334 9.424 2.511 70 HB3 TRP 10 HB1 TRP 10 -5.078 9.646 2.647 71 HD1 TRP 10 HD TRP 10 -6.563 8.649 0.771 72 HE1 TRP 10 HE1 TRP 10 -6.109 7.308 -1.369 73 HE3 TRP 10 HE3 TRP 10 -1.481 9.091 0.613 74 HZ2 TRP 10 HZ2 TRP 10 -3.879 6.502 -2.908 75 HZ3 TRP 10 HZ3 TRP 10 -0.256 8.000 -1.221 76 HH2 TRP 10 HH TRP 10 -1.433 6.732 -2.944 77 H VAL 11 H VAL 11 -5.770 12.781 2.813 78 HA VAL 11 HA VAL 11 -7.987 12.258 1.144 79 HB VAL 11 HB VAL 11 -8.636 12.990 3.276 80 HG11 VAL 11 1HG1 VAL 11 -6.589 15.152 2.933 81 HG12 VAL 11 2HG1 VAL 11 -6.717 13.940 4.206 82 HG13 VAL 11 3HG1 VAL 11 -7.867 15.273 4.140 83 HG21 VAL 11 3HG2 VAL 11 -9.538 15.414 2.792 84 HG22 VAL 11 1HG2 VAL 11 -10.176 14.015 1.921 85 HG23 VAL 11 2HG2 VAL 11 -8.965 15.054 1.159 86 H GLU 12 H GLU 12 -5.564 14.776 1.358 87 HA GLU 12 HA GLU 12 -6.673 16.423 -0.573 88 HB2 GLU 12 HB2 GLU 12 -4.342 16.428 0.971 89 HB3 GLU 12 HB1 GLU 12 -3.779 16.438 -0.694 90 HG2 GLU 12 HG2 GLU 12 -4.138 18.614 -0.771 91 HG3 GLU 12 HG1 GLU 12 -5.861 18.317 -0.552 92 H TYR 13 H TYR 13 -4.854 13.542 -0.665 93 HA TYR 13 HA TYR 13 -4.195 13.554 -3.458 94 HB2 TYR 13 HB2 TYR 13 -3.918 11.640 -1.187 95 HB3 TYR 13 HB1 TYR 13 -3.809 11.009 -2.828 96 HD1 TYR 13 HD2 TYR 13 -2.577 14.199 -1.329 97 HD2 TYR 13 HD1 TYR 13 -1.579 10.535 -3.246 98 HE1 TYR 13 HE2 TYR 13 -0.224 14.903 -1.434 99 HE2 TYR 13 HE1 TYR 13 0.778 11.229 -3.356 100 HH TYR 13 HH TYR 13 1.969 13.971 -1.658 101 H LYS 14 H LYS 14 -6.544 11.828 -1.441 102 HA LYS 14 HA LYS 14 -7.696 10.146 -3.257 103 HB2 LYS 14 HB2 LYS 14 -8.884 11.659 -0.943 104 HB3 LYS 14 HB1 LYS 14 -9.821 10.498 -1.864 105 HG2 LYS 14 HG2 LYS 14 -8.588 8.689 -1.089 106 HG3 LYS 14 HG1 LYS 14 -7.191 9.699 -0.723 107 HD2 LYS 14 HD2 LYS 14 -8.472 8.820 1.266 108 HD3 LYS 14 HD1 LYS 14 -8.206 10.559 1.236 109 HE2 LYS 14 HE2 LYS 14 -10.697 9.585 -0.014 110 HE3 LYS 14 HE1 LYS 14 -10.589 9.427 1.737 111 HZ1 LYS 14 HZ1 LYS 14 -10.543 11.879 0.100 112 HZ2 LYS 14 HZ2 LYS 14 -9.873 11.873 1.653 113 HZ3 LYS 14 HZ3 LYS 14 -11.511 11.510 1.439 114 H SER 15 H SER 15 -8.114 13.612 -3.084 115 HA SER 15 HA SER 15 -10.461 13.715 -4.694 116 HB2 SER 15 HB2 SER 15 -8.435 15.907 -4.236 117 HB3 SER 15 HB1 SER 15 -10.128 16.095 -4.696 118 HG SER 15 HG SER 15 -9.049 15.889 -2.237 119 H LYS 16 H LYS 16 -7.018 14.181 -5.115 120 HA LYS 16 HA LYS 16 -7.297 14.588 -7.909 121 HB2 LYS 16 HB2 LYS 16 -5.592 15.751 -6.489 122 HB3 LYS 16 HB1 LYS 16 -4.744 14.216 -6.368 123 HG2 LYS 16 HG2 LYS 16 -4.611 14.217 -8.880 124 HG3 LYS 16 HG1 LYS 16 -5.205 15.878 -8.829 125 HD2 LYS 16 HD2 LYS 16 -2.957 15.340 -7.025 126 HD3 LYS 16 HD1 LYS 16 -2.576 15.147 -8.737 127 HE2 LYS 16 HE2 LYS 16 -4.067 17.567 -7.827 128 HE3 LYS 16 HE1 LYS 16 -2.325 17.478 -7.571 129 HZ1 LYS 16 HZ1 LYS 16 -1.899 17.618 -9.776 130 HZ2 LYS 16 HZ2 LYS 16 -3.374 18.445 -9.777 131 HZ3 LYS 16 HZ3 LYS 16 -3.318 16.818 -10.235 132 H PHE 17 H PHE 17 -7.199 11.864 -6.014 133 HA PHE 17 HA PHE 17 -5.765 10.254 -7.984 134 HB2 PHE 17 HB2 PHE 17 -6.531 9.910 -5.148 135 HB3 PHE 17 HB1 PHE 17 -6.486 8.447 -6.129 136 HD1 PHE 17 HD2 PHE 17 -4.398 11.512 -5.666 137 HD2 PHE 17 HD1 PHE 17 -4.526 7.279 -6.064 138 HE1 PHE 17 HE2 PHE 17 -1.953 11.420 -5.418 139 HE2 PHE 17 HE1 PHE 17 -2.081 7.180 -5.820 140 HZ PHE 17 HZ PHE 17 -0.790 9.251 -5.494 141 H ASP 18 H ASP 18 -8.964 11.147 -7.322 142 HA ASP 18 HA ASP 18 -10.930 10.548 -8.309 143 HB2 ASP 18 HB2 ASP 18 -9.041 9.788 -10.175 144 HB3 ASP 18 HB1 ASP 18 -9.965 8.310 -9.925 145 H LYS 19 H LYS 19 -9.319 8.828 -6.170 146 HA LYS 19 HA LYS 19 -11.514 6.952 -5.771 147 HB2 LYS 19 HB2 LYS 19 -9.824 5.169 -5.129 148 HB3 LYS 19 HB1 LYS 19 -9.971 5.499 -6.849 149 HG2 LYS 19 HG2 LYS 19 -7.896 6.442 -6.992 150 HG3 LYS 19 HG1 LYS 19 -7.890 6.950 -5.301 151 HD2 LYS 19 HD2 LYS 19 -7.792 4.471 -4.725 152 HD3 LYS 19 HD1 LYS 19 -7.416 4.203 -6.429 153 HE2 LYS 19 HE2 LYS 19 -5.435 5.535 -6.264 154 HE3 LYS 19 HE1 LYS 19 -5.853 6.047 -4.630 155 HZ1 LYS 19 HZ1 LYS 19 -4.884 3.422 -5.554 156 HZ2 LYS 19 HZ2 LYS 19 -5.773 3.543 -4.121 157 HZ3 LYS 19 HZ3 LYS 19 -4.314 4.382 -4.281 158 H ASN 20 H ASN 20 -12.198 8.129 -4.039 159 HA ASN 20 HA ASN 20 -10.282 8.798 -1.959 160 HB2 ASN 20 HB2 ASN 20 -12.258 10.062 -0.993 161 HB3 ASN 20 HB1 ASN 20 -11.663 10.619 -2.555 162 HD21 ASN 20 1HD2 ASN 20 -13.178 11.061 -3.964 163 HD22 ASN 20 2HD2 ASN 20 -14.744 10.335 -4.047 164 H TYR 21 H TYR 21 -10.014 7.710 -0.178 165 HA TYR 21 HA TYR 21 -12.263 6.231 0.958 166 HB2 TYR 21 HB2 TYR 21 -10.472 4.486 1.690 167 HB3 TYR 21 HB1 TYR 21 -11.155 4.391 0.070 168 HD1 TYR 21 HD2 TYR 21 -8.248 5.290 2.053 169 HD2 TYR 21 HD1 TYR 21 -9.757 4.790 -1.875 170 HE1 TYR 21 HE2 TYR 21 -5.976 5.324 1.190 171 HE2 TYR 21 HE1 TYR 21 -7.458 4.847 -2.766 172 HH TYR 21 HH TYR 21 -5.281 5.102 -2.261 173 H GLU 22 H GLU 22 -12.671 7.128 2.739 174 HA GLU 22 HA GLU 22 -10.939 8.849 4.175 175 HB2 GLU 22 HB2 GLU 22 -13.744 8.239 4.072 176 HB3 GLU 22 HB1 GLU 22 -13.208 8.359 5.743 177 HG2 GLU 22 HG2 GLU 22 -12.948 10.569 5.622 178 HG3 GLU 22 HG1 GLU 22 -12.177 10.488 4.039 179 H ALA 23 H ALA 23 -11.233 8.802 6.649 180 HA ALA 23 HA ALA 23 -9.394 7.230 7.803 181 HB1 ALA 23 HB1 ALA 23 -11.790 8.604 8.898 182 HB2 ALA 23 HB2 ALA 23 -10.077 8.966 9.114 183 HB3 ALA 23 HB3 ALA 23 -10.803 7.600 9.962 184 H GLU 24 H GLU 24 -12.854 6.300 7.539 185 HA GLU 24 HA GLU 24 -12.805 4.108 9.231 186 HB2 GLU 24 HB2 GLU 24 -14.288 4.515 6.633 187 HB3 GLU 24 HB1 GLU 24 -14.561 3.128 7.677 188 HG2 GLU 24 HG2 GLU 24 -14.702 5.680 9.078 189 HG3 GLU 24 HG1 GLU 24 -15.898 5.509 7.793 190 H GLU 25 H GLU 25 -12.217 4.052 5.715 191 HA GLU 25 HA GLU 25 -11.114 1.390 5.801 192 HB2 GLU 25 HB2 GLU 25 -12.030 3.197 3.786 193 HB3 GLU 25 HB1 GLU 25 -10.371 2.756 3.404 194 HG2 GLU 25 HG2 GLU 25 -11.104 0.345 3.736 195 HG3 GLU 25 HG1 GLU 25 -12.754 0.962 3.703 196 H ASP 26 H ASP 26 -9.987 4.675 5.616 197 HA ASP 26 HA ASP 26 -7.310 4.386 5.062 198 HB2 ASP 26 HB2 ASP 26 -8.944 6.384 6.499 199 HB3 ASP 26 HB1 ASP 26 -7.199 6.519 6.630 200 H LEU 27 H LEU 27 -8.941 3.919 8.148 201 HA LEU 27 HA LEU 27 -6.913 4.223 9.939 202 HB2 LEU 27 HB2 LEU 27 -9.417 3.375 10.064 203 HB3 LEU 27 HB1 LEU 27 -8.623 1.812 10.220 204 HG LEU 27 HG LEU 27 -7.494 3.851 11.966 205 HD11 LEU 27 1HD1 LEU 27 -10.146 4.181 11.739 206 HD12 LEU 27 2HD1 LEU 27 -9.263 4.436 13.244 207 HD13 LEU 27 3HD1 LEU 27 -10.106 2.913 12.964 208 HD21 LEU 27 3HD2 LEU 27 -8.274 1.838 13.565 209 HD22 LEU 27 1HD2 LEU 27 -6.784 1.811 12.621 210 HD23 LEU 27 2HD2 LEU 27 -8.227 0.997 12.016 211 H MET 28 H MET 28 -7.659 1.170 8.250 212 HA MET 28 HA MET 28 -5.312 -0.155 9.174 213 HB2 MET 28 HB2 MET 28 -5.796 -1.762 7.297 214 HB3 MET 28 HB1 MET 28 -7.140 -1.514 8.402 215 HG2 MET 28 HG2 MET 28 -8.229 -0.057 6.830 216 HG3 MET 28 HG1 MET 28 -6.841 -0.131 5.747 217 HE1 MET 28 HE1 MET 28 -10.028 -1.622 4.308 218 HE2 MET 28 HE2 MET 28 -9.904 -0.533 5.689 219 HE3 MET 28 HE3 MET 28 -10.502 -2.177 5.914 220 H ARG 29 H ARG 29 -6.127 1.979 6.596 221 HA ARG 29 HA ARG 29 -3.814 1.566 5.011 222 HB2 ARG 29 HB2 ARG 29 -5.956 3.570 5.129 223 HB3 ARG 29 HB1 ARG 29 -4.569 3.916 4.147 224 HG2 ARG 29 HG2 ARG 29 -5.147 2.406 2.556 225 HG3 ARG 29 HG1 ARG 29 -5.846 1.286 3.738 226 HD2 ARG 29 HD2 ARG 29 -7.888 2.428 3.782 227 HD3 ARG 29 HD1 ARG 29 -7.189 3.888 3.084 228 HE ARG 29 HE ARG 29 -7.173 2.831 0.964 229 HH11 ARG 29 1HH1 ARG 29 -8.846 0.990 3.418 230 HH12 ARG 29 2HH1 ARG 29 -9.565 -0.098 2.281 231 HH21 ARG 29 1HH2 ARG 29 -8.079 1.362 -0.521 232 HH22 ARG 29 2HH2 ARG 29 -9.130 0.110 0.050 233 H ARG 30 H ARG 30 -4.581 3.475 7.809 234 HA ARG 30 HA ARG 30 -2.770 5.559 7.658 235 HB2 ARG 30 HB2 ARG 30 -3.523 3.901 10.083 236 HB3 ARG 30 HB1 ARG 30 -2.678 5.440 10.152 237 HG2 ARG 30 HG2 ARG 30 -5.332 5.241 8.799 238 HG3 ARG 30 HG1 ARG 30 -5.226 5.370 10.554 239 HD2 ARG 30 HD2 ARG 30 -3.756 7.400 10.164 240 HD3 ARG 30 HD1 ARG 30 -4.262 7.320 8.478 241 HE ARG 30 HE ARG 30 -6.319 8.135 9.085 242 HH11 ARG 30 1HH1 ARG 30 -4.594 7.143 11.952 243 HH12 ARG 30 2HH1 ARG 30 -5.743 7.850 13.038 244 HH21 ARG 30 1HH2 ARG 30 -7.829 9.065 10.511 245 HH22 ARG 30 2HH2 ARG 30 -7.580 8.940 12.220 246 H ARG 31 H ARG 31 -2.345 2.185 8.438 247 HA ARG 31 HA ARG 31 0.396 2.357 9.189 248 HB2 ARG 31 HB2 ARG 31 -1.037 -0.091 8.166 249 HB3 ARG 31 HB1 ARG 31 0.375 -0.031 9.211 250 HG2 ARG 31 HG2 ARG 31 -2.306 1.053 10.028 251 HG3 ARG 31 HG1 ARG 31 -1.805 -0.612 10.322 252 HD2 ARG 31 HD2 ARG 31 -0.135 1.718 11.208 253 HD3 ARG 31 HD1 ARG 31 -1.454 1.096 12.199 254 HE ARG 31 HE ARG 31 1.113 -0.118 11.766 255 HH11 ARG 31 1HH1 ARG 31 -2.218 -0.707 12.624 256 HH12 ARG 31 2HH1 ARG 31 -1.870 -2.175 13.474 257 HH21 ARG 31 1HH2 ARG 31 1.573 -2.050 12.882 258 HH22 ARG 31 2HH2 ARG 31 0.282 -2.937 13.621 259 H ILE 32 H ILE 32 -1.317 1.868 6.105 260 HA ILE 32 HA ILE 32 1.165 1.167 4.761 261 HB ILE 32 HB ILE 32 -0.392 0.100 3.582 262 HG12 ILE 32 2HG1 ILE 32 -1.099 1.261 1.573 263 HG13 ILE 32 1HG1 ILE 32 -0.669 2.790 2.349 264 HG21 ILE 32 1HG2 ILE 32 -2.340 2.207 4.260 265 HG22 ILE 32 2HG2 ILE 32 -2.243 0.578 4.924 266 HG23 ILE 32 3HG2 ILE 32 -2.691 0.824 3.237 267 HD11 ILE 32 3HD1 ILE 32 1.409 2.544 1.678 268 HD12 ILE 32 1HD1 ILE 32 0.880 1.081 0.873 269 HD13 ILE 32 2HD1 ILE 32 1.514 0.994 2.504 270 H TYR 33 H TYR 33 -0.822 3.903 5.285 271 HA TYR 33 HA TYR 33 0.358 5.537 3.417 272 HB2 TYR 33 HB2 TYR 33 -1.696 6.040 4.912 273 HB3 TYR 33 HB1 TYR 33 -0.496 6.696 6.027 274 HD1 TYR 33 HD2 TYR 33 0.894 7.095 2.913 275 HD2 TYR 33 HD1 TYR 33 -2.215 8.709 5.332 276 HE1 TYR 33 HE2 TYR 33 0.921 9.137 1.566 277 HE2 TYR 33 HE1 TYR 33 -2.157 10.784 4.020 278 HH TYR 33 HH TYR 33 -0.918 11.083 1.087 279 H ALA 34 H ALA 34 1.396 4.596 6.610 280 HA ALA 34 HA ALA 34 3.325 6.494 7.116 281 HB1 ALA 34 HB1 ALA 34 3.073 5.183 8.943 282 HB2 ALA 34 HB2 ALA 34 4.493 4.392 8.257 283 HB3 ALA 34 HB3 ALA 34 2.887 3.715 7.983 284 H GLU 35 H GLU 35 3.735 3.444 5.442 285 HA GLU 35 HA GLU 35 6.460 3.718 4.846 286 HB2 GLU 35 HB2 GLU 35 5.823 2.207 2.845 287 HB3 GLU 35 HB1 GLU 35 5.615 1.587 4.480 288 HG2 GLU 35 HG2 GLU 35 3.235 2.944 3.822 289 HG3 GLU 35 HG1 GLU 35 3.675 1.935 2.421 290 H SER 36 H SER 36 3.621 5.084 3.321 291 HA SER 36 HA SER 36 4.466 5.653 0.790 292 HB2 SER 36 HB2 SER 36 2.810 7.297 0.681 293 HB3 SER 36 HB1 SER 36 2.243 6.244 1.976 294 HG SER 36 HG SER 36 3.076 8.860 2.068 295 H LYS 37 H LYS 37 4.996 7.823 3.603 296 HA LYS 37 HA LYS 37 6.578 9.652 2.151 297 HB2 LYS 37 HB2 LYS 37 7.289 9.224 4.977 298 HB3 LYS 37 HB1 LYS 37 6.991 10.722 4.119 299 HG2 LYS 37 HG2 LYS 37 4.963 8.830 5.274 300 HG3 LYS 37 HG1 LYS 37 5.279 10.502 5.736 301 HD2 LYS 37 HD2 LYS 37 4.508 9.993 2.913 302 HD3 LYS 37 HD1 LYS 37 3.254 9.813 4.139 303 HE2 LYS 37 HE2 LYS 37 3.980 12.108 4.976 304 HE3 LYS 37 HE1 LYS 37 4.877 12.250 3.464 305 HZ1 LYS 37 HZ1 LYS 37 2.946 13.118 2.747 306 HZ2 LYS 37 HZ2 LYS 37 2.014 12.360 3.937 307 HZ3 LYS 37 HZ3 LYS 37 2.488 11.500 2.559 308 H ALA 38 H ALA 38 7.347 6.696 3.918 309 HA ALA 38 HA ALA 38 10.117 6.779 3.877 310 HB1 ALA 38 HB1 ALA 38 10.084 4.544 4.391 311 HB2 ALA 38 HB2 ALA 38 8.777 4.202 3.257 312 HB3 ALA 38 HB3 ALA 38 8.425 4.982 4.800 313 H ARG 39 H ARG 39 7.825 6.059 1.435 314 HA ARG 39 HA ARG 39 9.614 5.140 -0.566 315 HB2 ARG 39 HB2 ARG 39 6.935 6.391 -0.988 316 HB3 ARG 39 HB1 ARG 39 7.720 5.162 -1.980 317 HG2 ARG 39 HG2 ARG 39 7.363 4.332 0.787 318 HG3 ARG 39 HG1 ARG 39 5.834 4.698 -0.030 319 HD2 ARG 39 HD2 ARG 39 7.063 3.258 -1.948 320 HD3 ARG 39 HD1 ARG 39 7.774 2.526 -0.510 321 HE ARG 39 HE ARG 39 4.916 2.772 -0.380 322 HH11 ARG 39 1HH1 ARG 39 7.564 0.785 -1.481 323 HH12 ARG 39 2HH1 ARG 39 6.633 -0.675 -1.481 324 HH21 ARG 39 1HH2 ARG 39 3.689 0.854 -0.378 325 HH22 ARG 39 2HH2 ARG 39 4.432 -0.637 -0.856 326 H ILE 40 H ILE 40 8.351 8.246 0.449 327 HA ILE 40 HA ILE 40 9.148 9.639 -1.891 328 HB ILE 40 HB ILE 40 8.582 10.637 0.891 329 HG12 ILE 40 2HG1 ILE 40 6.459 10.194 0.312 330 HG13 ILE 40 1HG1 ILE 40 6.594 11.421 -0.935 331 HG21 ILE 40 1HG2 ILE 40 8.509 12.845 0.039 332 HG22 ILE 40 2HG2 ILE 40 8.652 12.285 -1.627 333 HG23 ILE 40 3HG2 ILE 40 10.028 12.155 -0.532 334 HD11 ILE 40 3HD1 ILE 40 5.760 9.054 -1.560 335 HD12 ILE 40 1HD1 ILE 40 7.469 8.585 -1.499 336 HD13 ILE 40 2HD1 ILE 40 6.922 9.854 -2.612 337 H GLU 41 H GLU 41 10.620 8.684 1.032 338 HA GLU 41 HA GLU 41 13.087 10.137 0.707 339 HB2 GLU 41 HB2 GLU 41 11.896 8.414 2.684 340 HB3 GLU 41 HB1 GLU 41 13.505 7.821 2.295 341 HG2 GLU 41 HG2 GLU 41 14.319 10.187 2.675 342 HG3 GLU 41 HG1 GLU 41 12.729 10.515 3.364 343 H GLU 42 H GLU 42 11.637 7.260 -0.380 344 HA GLU 42 HA GLU 42 13.569 5.437 -0.963 345 HB2 GLU 42 HB2 GLU 42 11.111 5.196 -1.250 346 HB3 GLU 42 HB1 GLU 42 11.190 6.301 -2.589 347 HG2 GLU 42 HG2 GLU 42 11.548 4.729 -4.021 348 HG3 GLU 42 HG1 GLU 42 12.988 4.187 -3.138 349 H HIS 43 H HIS 43 12.213 7.537 -3.501 350 HA HIS 43 HA HIS 43 14.420 6.964 -5.244 351 HB2 HIS 43 HB2 HIS 43 11.930 8.604 -5.488 352 HB3 HIS 43 HB1 HIS 43 13.132 8.545 -6.772 353 HD1 HIS 43 HD1 HIS 43 10.509 6.485 -5.080 354 HD2 HIS 43 HD2 HIS 43 13.210 6.146 -8.219 355 HE1 HIS 43 HE1 HIS 43 9.831 4.410 -6.328 356 HE2 HIS 43 HE2 HIS 43 11.439 4.262 -8.263 357 H ASN 44 H ASN 44 13.362 9.652 -3.309 358 HA ASN 44 HA ASN 44 14.922 11.625 -4.502 359 HB2 ASN 44 HB2 ASN 44 13.340 11.332 -2.093 360 HB3 ASN 44 HB1 ASN 44 14.726 12.402 -1.869 361 HD21 ASN 44 1HD2 ASN 44 14.823 14.310 -2.944 362 HD22 ASN 44 2HD2 ASN 44 13.494 14.972 -3.834 363 H ARG 45 H ARG 45 15.742 9.118 -2.277 364 HA ARG 45 HA ARG 45 18.320 10.291 -1.621 365 HB2 ARG 45 HB2 ARG 45 16.733 7.941 -0.731 366 HB3 ARG 45 HB1 ARG 45 18.482 7.853 -0.551 367 HG2 ARG 45 HG2 ARG 45 16.811 10.113 0.521 368 HG3 ARG 45 HG1 ARG 45 17.238 8.678 1.456 369 HD2 ARG 45 HD2 ARG 45 19.243 10.517 0.159 370 HD3 ARG 45 HD1 ARG 45 18.731 10.638 1.842 371 HE ARG 45 HE ARG 45 19.708 8.034 1.121 372 HH11 ARG 45 1HH1 ARG 45 20.608 11.222 2.219 373 HH12 ARG 45 2HH1 ARG 45 22.087 10.690 2.949 374 HH21 ARG 45 1HH2 ARG 45 21.651 7.332 2.080 375 HH22 ARG 45 2HH2 ARG 45 22.679 8.481 2.868 376 H LYS 46 H LYS 46 16.959 8.166 -3.913 377 HA LYS 46 HA LYS 46 19.141 6.482 -4.506 378 HB2 LYS 46 HB2 LYS 46 16.491 6.992 -5.313 379 HB3 LYS 46 HB1 LYS 46 17.470 6.859 -6.752 380 HG2 LYS 46 HG2 LYS 46 17.697 4.651 -6.546 381 HG3 LYS 46 HG1 LYS 46 18.076 4.777 -4.828 382 HD2 LYS 46 HD2 LYS 46 16.091 3.773 -4.525 383 HD3 LYS 46 HD1 LYS 46 15.414 5.368 -4.852 384 HE2 LYS 46 HE2 LYS 46 14.332 4.496 -6.584 385 HE3 LYS 46 HE1 LYS 46 15.888 4.204 -7.358 386 HZ1 LYS 46 HZ1 LYS 46 14.126 2.287 -6.761 387 HZ2 LYS 46 HZ2 LYS 46 15.108 2.236 -5.384 388 HZ3 LYS 46 HZ3 LYS 46 15.790 2.021 -6.917 389 H PHE 47 H PHE 47 17.937 9.255 -6.477 390 HA PHE 47 HA PHE 47 20.218 9.253 -8.184 391 HB2 PHE 47 HB2 PHE 47 19.497 11.468 -8.914 392 HB3 PHE 47 HB1 PHE 47 18.139 10.353 -8.939 393 HD1 PHE 47 HD1 PHE 47 19.608 13.270 -7.269 394 HD2 PHE 47 HD2 PHE 47 16.311 10.616 -7.507 395 HE1 PHE 47 HE1 PHE 47 18.261 14.846 -5.938 396 HE2 PHE 47 HE2 PHE 47 14.939 12.184 -6.189 397 HZ PHE 47 HZ PHE 47 15.919 14.303 -5.396 398 H GLU 48 H GLU 48 19.119 10.565 -5.300 399 HA GLU 48 HA GLU 48 20.942 12.473 -4.620 400 HB2 GLU 48 HB2 GLU 48 18.902 10.868 -3.478 401 HB3 GLU 48 HB1 GLU 48 20.315 10.757 -2.404 402 HG2 GLU 48 HG2 GLU 48 19.194 13.385 -3.348 403 HG3 GLU 48 HG1 GLU 48 18.666 12.588 -1.868 404 H LYS 49 H LYS 49 21.331 9.187 -5.306 405 HA LYS 49 HA LYS 49 23.850 8.902 -3.878 406 HB2 LYS 49 HB2 LYS 49 21.899 7.161 -3.893 407 HB3 LYS 49 HB1 LYS 49 22.595 6.711 -5.443 408 HG2 LYS 49 HG2 LYS 49 23.544 5.262 -3.852 409 HG3 LYS 49 HG1 LYS 49 24.796 6.443 -4.241 410 HD2 LYS 49 HD2 LYS 49 23.436 7.602 -2.130 411 HD3 LYS 49 HD1 LYS 49 23.478 5.889 -1.709 412 HE2 LYS 49 HE2 LYS 49 25.458 6.637 -0.801 413 HE3 LYS 49 HE1 LYS 49 25.988 6.069 -2.384 414 HZ1 LYS 49 HZ1 LYS 49 26.758 8.364 -1.566 415 HZ2 LYS 49 HZ2 LYS 49 25.207 8.885 -1.996 416 HZ3 LYS 49 HZ3 LYS 49 26.226 8.215 -3.167 417 H GLY 50 H GLY 50 23.235 10.447 -6.491 418 HA2 GLY 50 HA2 GLY 50 24.239 10.731 -8.564 419 HA3 GLY 50 HA1 GLY 50 25.677 10.055 -7.792 420 H GLU 51 H GLU 51 22.659 8.466 -7.979 421 HA GLU 51 HA GLU 51 23.806 6.186 -9.318 422 HB2 GLU 51 HB2 GLU 51 21.914 6.732 -7.270 423 HB3 GLU 51 HB1 GLU 51 21.032 5.937 -8.592 424 HG2 GLU 51 HG2 GLU 51 22.991 4.230 -8.538 425 HG3 GLU 51 HG1 GLU 51 23.276 4.887 -6.927 426 H VAL 52 H VAL 52 20.761 7.993 -9.624 427 HA VAL 52 HA VAL 52 20.852 8.083 -12.499 428 HB VAL 52 HB VAL 52 19.398 6.413 -12.939 429 HG11 VAL 52 1HG1 VAL 52 19.373 5.881 -9.996 430 HG12 VAL 52 2HG1 VAL 52 20.536 5.213 -11.147 431 HG13 VAL 52 3HG1 VAL 52 18.834 4.748 -11.239 432 HG21 VAL 52 3HG2 VAL 52 17.173 6.270 -11.659 433 HG22 VAL 52 1HG2 VAL 52 17.473 7.655 -12.699 434 HG23 VAL 52 2HG2 VAL 52 17.663 7.813 -10.946 435 H THR 53 H THR 53 18.569 9.151 -13.092 436 HA THR 53 HA THR 53 18.013 10.888 -10.795 437 HB THR 53 HB THR 53 19.018 11.943 -12.772 438 HG1 THR 53 HG1 THR 53 17.600 13.072 -11.298 439 HG21 THR 53 3HG2 THR 53 17.570 10.506 -14.395 440 HG22 THR 53 1HG2 THR 53 17.999 12.162 -14.817 441 HG23 THR 53 2HG2 THR 53 16.394 11.803 -14.180 442 H TRP 54 H TRP 54 16.583 9.664 -9.867 443 HA TRP 54 HA TRP 54 13.941 9.453 -11.112 444 HB2 TRP 54 HB2 TRP 54 13.693 7.217 -9.814 445 HB3 TRP 54 HB1 TRP 54 14.517 7.217 -11.364 446 HD1 TRP 54 HD TRP 54 16.780 8.536 -8.715 447 HE1 TRP 54 HE1 TRP 54 18.490 6.734 -8.045 448 HE3 TRP 54 HE3 TRP 54 14.566 4.486 -10.910 449 HZ2 TRP 54 HZ2 TRP 54 18.820 3.945 -8.371 450 HZ3 TRP 54 HZ3 TRP 54 15.635 2.284 -10.671 451 HH2 TRP 54 HH TRP 54 17.720 2.020 -9.428 452 H LYS 55 H LYS 55 12.381 10.242 -9.859 453 HA LYS 55 HA LYS 55 12.964 10.602 -7.002 454 HB2 LYS 55 HB2 LYS 55 10.809 12.251 -7.472 455 HB3 LYS 55 HB1 LYS 55 12.496 12.744 -7.269 456 HG2 LYS 55 HG2 LYS 55 12.759 12.348 -9.747 457 HG3 LYS 55 HG1 LYS 55 10.996 12.342 -9.827 458 HD2 LYS 55 HD2 LYS 55 11.956 14.590 -8.287 459 HD3 LYS 55 HD1 LYS 55 12.695 14.571 -9.889 460 HE2 LYS 55 HE2 LYS 55 10.125 14.024 -10.521 461 HE3 LYS 55 HE1 LYS 55 9.896 15.033 -9.093 462 HZ1 LYS 55 HZ1 LYS 55 10.918 15.740 -11.721 463 HZ2 LYS 55 HZ2 LYS 55 11.696 16.469 -10.407 464 HZ3 LYS 55 HZ3 LYS 55 10.029 16.666 -10.618 465 H MET 56 H MET 56 11.295 10.604 -5.580 466 HA MET 56 HA MET 56 9.694 8.283 -5.638 467 HB2 MET 56 HB2 MET 56 8.482 9.815 -3.787 468 HB3 MET 56 HB1 MET 56 9.960 8.922 -3.465 469 HG2 MET 56 HG2 MET 56 9.989 11.234 -2.633 470 HG3 MET 56 HG1 MET 56 11.250 10.932 -3.823 471 HE1 MET 56 HE1 MET 56 8.612 13.783 -2.965 472 HE2 MET 56 HE2 MET 56 9.804 14.665 -3.920 473 HE3 MET 56 HE3 MET 56 10.335 13.519 -2.689 474 H GLY 57 H GLY 57 7.155 8.584 -5.116 475 HA2 GLY 57 HA2 GLY 57 5.927 10.804 -6.469 476 HA3 GLY 57 HA1 GLY 57 5.781 9.281 -7.334 477 H ILE 58 H ILE 58 5.876 8.654 -4.027 478 HA ILE 58 HA ILE 58 4.290 7.990 -2.518 479 HB ILE 58 HB ILE 58 2.724 10.055 -4.006 480 HG12 ILE 58 2HG1 ILE 58 4.865 10.654 -2.634 481 HG13 ILE 58 1HG1 ILE 58 3.428 11.654 -2.467 482 HG21 ILE 58 1HG2 ILE 58 1.042 8.831 -2.986 483 HG22 ILE 58 2HG2 ILE 58 1.370 10.078 -1.782 484 HG23 ILE 58 3HG2 ILE 58 2.033 8.457 -1.576 485 HD11 ILE 58 3HD1 ILE 58 4.599 11.097 -0.333 486 HD12 ILE 58 1HD1 ILE 58 4.117 9.416 -0.574 487 HD13 ILE 58 2HD1 ILE 58 2.888 10.668 -0.375 488 H ASN 59 H ASN 59 4.054 5.902 -3.399 489 HA ASN 59 HA ASN 59 2.582 5.522 -5.706 490 HB2 ASN 59 HB2 ASN 59 3.494 3.642 -3.547 491 HB3 ASN 59 HB1 ASN 59 2.447 3.058 -4.838 492 HD21 ASN 59 1HD2 ASN 59 3.806 1.807 -5.963 493 HD22 ASN 59 2HD2 ASN 59 5.268 2.355 -6.701 494 H HIS 60 H HIS 60 0.497 4.615 -6.048 495 HA HIS 60 HA HIS 60 -1.579 5.775 -4.647 496 HB2 HIS 60 HB2 HIS 60 -1.579 3.279 -6.350 497 HB3 HIS 60 HB1 HIS 60 -3.041 4.083 -5.789 498 HD1 HIS 60 HD1 HIS 60 0.027 4.871 -7.892 499 HD2 HIS 60 HD2 HIS 60 -3.941 6.022 -7.460 500 HE1 HIS 60 HE1 HIS 60 -0.412 6.485 -9.769 501 HE2 HIS 60 HE2 HIS 60 -2.845 7.098 -9.541 502 H LEU 61 H LEU 61 -0.507 2.365 -4.417 503 HA LEU 61 HA LEU 61 -2.317 1.838 -2.311 504 HB2 LEU 61 HB2 LEU 61 -1.252 -0.226 -1.956 505 HB3 LEU 61 HB1 LEU 61 -1.344 0.030 -3.688 506 HG LEU 61 HG LEU 61 0.764 -0.997 -2.568 507 HD11 LEU 61 1HD1 LEU 61 0.266 0.050 -4.990 508 HD12 LEU 61 2HD1 LEU 61 1.813 -0.664 -4.533 509 HD13 LEU 61 3HD1 LEU 61 1.596 1.085 -4.474 510 HD21 LEU 61 3HD2 LEU 61 2.504 0.465 -1.935 511 HD22 LEU 61 1HD2 LEU 61 1.090 0.892 -0.972 512 HD23 LEU 61 2HD2 LEU 61 1.559 1.887 -2.357 513 H ALA 62 H ALA 62 0.384 3.811 -2.273 514 HA ALA 62 HA ALA 62 1.583 2.986 0.097 515 HB1 ALA 62 HB1 ALA 62 2.571 5.064 0.366 516 HB2 ALA 62 HB2 ALA 62 1.415 5.856 -0.726 517 HB3 ALA 62 HB3 ALA 62 2.589 4.696 -1.367 518 H ASP 63 H ASP 63 -1.527 3.720 -0.282 519 HA ASP 63 HA ASP 63 -1.736 4.629 2.476 520 HB2 ASP 63 HB2 ASP 63 -2.534 6.159 0.539 521 HB3 ASP 63 HB1 ASP 63 -3.875 5.040 0.390 522 H LEU 64 H LEU 64 -2.563 2.495 -0.086 523 HA LEU 64 HA LEU 64 -3.747 0.757 1.934 524 HB2 LEU 64 HB2 LEU 64 -5.355 -0.005 0.303 525 HB3 LEU 64 HB1 LEU 64 -5.611 1.669 0.750 526 HG LEU 64 HG LEU 64 -3.987 1.984 -1.374 527 HD11 LEU 64 1HD1 LEU 64 -3.724 0.047 -2.339 528 HD12 LEU 64 2HD1 LEU 64 -5.285 0.415 -3.083 529 HD13 LEU 64 3HD1 LEU 64 -5.203 -0.652 -1.677 530 HD21 LEU 64 3HD2 LEU 64 -6.578 2.624 -0.741 531 HD22 LEU 64 1HD2 LEU 64 -6.762 1.707 -2.235 532 HD23 LEU 64 2HD2 LEU 64 -5.725 3.132 -2.196 533 H THR 65 H THR 65 -1.987 -0.414 2.003 534 HA THR 65 HA THR 65 -1.117 -1.825 -0.418 535 HB THR 65 HB THR 65 0.649 -2.592 1.595 536 HG1 THR 65 HG1 THR 65 1.113 -0.932 2.807 537 HG21 THR 65 3HG2 THR 65 2.031 -2.047 -0.019 538 HG22 THR 65 1HG2 THR 65 1.836 -0.353 0.426 539 HG23 THR 65 2HG2 THR 65 0.794 -1.070 -0.796 540 HA PRO 66 HA PRO 66 -2.130 -6.075 0.915 541 HB2 PRO 66 HB2 PRO 66 0.028 -6.697 2.647 542 HB3 PRO 66 HB1 PRO 66 -0.093 -7.119 0.932 543 HG2 PRO 66 HG2 PRO 66 1.096 -4.660 2.195 544 HG3 PRO 66 HG1 PRO 66 1.818 -5.714 0.937 545 HD2 PRO 66 HD2 PRO 66 0.760 -3.528 0.097 546 HD3 PRO 66 HD1 PRO 66 0.093 -5.007 -0.636 547 H GLU 67 H GLU 67 -0.863 -3.760 3.248 548 HA GLU 67 HA GLU 67 -1.862 -4.772 5.667 549 HB2 GLU 67 HB2 GLU 67 -2.265 -1.858 5.146 550 HB3 GLU 67 HB1 GLU 67 -1.429 -2.641 6.504 551 HG2 GLU 67 HG2 GLU 67 -0.410 -1.893 3.794 552 HG3 GLU 67 HG1 GLU 67 0.183 -1.384 5.377 553 H GLU 68 H GLU 68 -3.094 -2.461 3.425 554 HA GLU 68 HA GLU 68 -5.797 -2.456 4.414 555 HB2 GLU 68 HB2 GLU 68 -4.792 -0.445 3.499 556 HB3 GLU 68 HB1 GLU 68 -4.517 -1.256 1.964 557 HG2 GLU 68 HG2 GLU 68 -7.287 -1.108 3.030 558 HG3 GLU 68 HG1 GLU 68 -6.559 0.312 2.276 559 H PHE 69 H PHE 69 -4.134 -3.450 1.506 560 HA PHE 69 HA PHE 69 -6.172 -4.480 -0.008 561 HB2 PHE 69 HB2 PHE 69 -3.245 -4.852 0.186 562 HB3 PHE 69 HB1 PHE 69 -4.114 -6.094 -0.704 563 HD1 PHE 69 HD1 PHE 69 -5.667 -5.302 -2.570 564 HD2 PHE 69 HD2 PHE 69 -2.602 -2.820 -0.880 565 HE1 PHE 69 HE1 PHE 69 -5.683 -3.897 -4.586 566 HE2 PHE 69 HE2 PHE 69 -2.637 -1.438 -2.905 567 HZ PHE 69 HZ PHE 69 -4.170 -1.966 -4.754 568 H ALA 70 H ALA 70 -4.587 -5.900 2.759 569 HA ALA 70 HA ALA 70 -5.650 -8.543 2.299 570 HB1 ALA 70 HB1 ALA 70 -4.677 -9.033 4.538 571 HB2 ALA 70 HB2 ALA 70 -4.170 -7.350 4.631 572 HB3 ALA 70 HB3 ALA 70 -3.521 -8.398 3.369 573 H GLN 71 H GLN 71 -6.171 -6.034 4.786 574 HA GLN 71 HA GLN 71 -8.445 -7.457 5.843 575 HB2 GLN 71 HB2 GLN 71 -6.629 -5.698 6.909 576 HB3 GLN 71 HB1 GLN 71 -8.066 -4.698 6.751 577 HG2 GLN 71 HG2 GLN 71 -9.326 -6.110 8.151 578 HG3 GLN 71 HG1 GLN 71 -8.120 -7.393 8.068 579 HE21 GLN 71 1HE2 GLN 71 -6.432 -7.381 9.455 580 HE22 GLN 71 2HE2 GLN 71 -6.207 -6.203 10.699 581 H ARG 72 H ARG 72 -8.117 -5.431 3.215 582 HA ARG 72 HA ARG 72 -10.681 -4.117 3.557 583 HB2 ARG 72 HB2 ARG 72 -10.196 -2.869 1.618 584 HB3 ARG 72 HB1 ARG 72 -8.669 -2.986 2.474 585 HG2 ARG 72 HG2 ARG 72 -7.759 -3.714 0.593 586 HG3 ARG 72 HG1 ARG 72 -8.702 -5.192 0.770 587 HD2 ARG 72 HD2 ARG 72 -10.585 -3.689 -0.324 588 HD3 ARG 72 HD1 ARG 72 -9.188 -2.812 -0.947 589 HE ARG 72 HE ARG 72 -8.613 -5.381 -1.552 590 HH11 ARG 72 1HH1 ARG 72 -11.412 -3.374 -2.113 591 HH12 ARG 72 2HH1 ARG 72 -11.859 -4.190 -3.574 592 HH21 ARG 72 1HH2 ARG 72 -9.199 -6.455 -3.474 593 HH22 ARG 72 2HH2 ARG 72 -10.604 -5.939 -4.346 594 H SER 73 H SER 73 -9.167 -6.787 1.961 595 HA SER 73 HA SER 73 -11.781 -7.645 1.027 596 HB2 SER 73 HB2 SER 73 -9.660 -6.866 -0.665 597 HB3 SER 73 HB1 SER 73 -9.771 -8.622 -0.777 598 HG SER 73 HG SER 73 -12.040 -6.948 -0.993 599 H GLY 74 H GLY 74 -8.483 -8.988 0.879 600 HA2 GLY 74 HA2 GLY 74 -9.209 -11.044 2.807 601 HA3 GLY 74 HA1 GLY 74 -8.913 -11.608 1.169 602 H LYS 75 H LYS 75 -7.527 -11.510 4.040 603 HA LYS 75 HA LYS 75 -4.912 -10.514 3.367 604 HB2 LYS 75 HB2 LYS 75 -5.810 -10.395 5.669 605 HB3 LYS 75 HB1 LYS 75 -5.809 -12.151 5.746 606 HG2 LYS 75 HG2 LYS 75 -3.407 -12.205 5.576 607 HG3 LYS 75 HG1 LYS 75 -3.353 -10.456 5.344 608 HD2 LYS 75 HD2 LYS 75 -4.394 -10.194 7.593 609 HD3 LYS 75 HD1 LYS 75 -4.248 -11.939 7.814 610 HE2 LYS 75 HE2 LYS 75 -2.333 -11.193 8.848 611 HE3 LYS 75 HE1 LYS 75 -1.742 -11.513 7.218 612 HZ1 LYS 75 HZ1 LYS 75 -2.068 -9.138 6.722 613 HZ2 LYS 75 HZ2 LYS 75 -0.940 -9.394 7.957 614 HZ3 LYS 75 HZ3 LYS 75 -2.502 -8.870 8.335 615 H LYS 76 H LYS 76 -2.963 -11.882 3.610 616 HA LYS 76 HA LYS 76 -3.315 -14.704 2.992 617 HB2 LYS 76 HB2 LYS 76 -3.206 -13.174 0.855 618 HB3 LYS 76 HB1 LYS 76 -1.483 -13.146 1.210 619 HG2 LYS 76 HG2 LYS 76 -1.542 -14.930 -0.189 620 HG3 LYS 76 HG1 LYS 76 -1.837 -15.763 1.339 621 HD2 LYS 76 HD2 LYS 76 -3.766 -16.525 0.542 622 HD3 LYS 76 HD1 LYS 76 -4.341 -14.868 0.359 623 HE2 LYS 76 HE2 LYS 76 -2.502 -15.868 -1.728 624 HE3 LYS 76 HE1 LYS 76 -4.111 -16.589 -1.688 625 HZ1 LYS 76 HZ1 LYS 76 -3.376 -13.761 -2.119 626 HZ2 LYS 76 HZ2 LYS 76 -4.935 -14.194 -1.625 627 HZ3 LYS 76 HZ3 LYS 76 -4.324 -14.768 -3.095 628 H VAL 77 H VAL 77 -2.152 -15.549 4.608 629 HA VAL 77 HA VAL 77 0.197 -14.263 5.643 630 HB VAL 77 HB VAL 77 -0.723 -17.063 6.274 631 HG11 VAL 77 1HG1 VAL 77 0.732 -15.090 8.017 632 HG12 VAL 77 2HG1 VAL 77 1.555 -16.277 7.004 633 HG13 VAL 77 3HG1 VAL 77 0.483 -16.813 8.299 634 HG21 VAL 77 3HG2 VAL 77 -2.036 -16.129 8.093 635 HG22 VAL 77 1HG2 VAL 77 -2.595 -15.491 6.546 636 HG23 VAL 77 2HG2 VAL 77 -1.590 -14.495 7.599 637 HA PRO 78 HA PRO 78 2.444 -17.971 3.596 638 HB2 PRO 78 HB2 PRO 78 1.145 -19.542 1.852 639 HB3 PRO 78 HB1 PRO 78 1.036 -19.805 3.596 640 HG2 PRO 78 HG2 PRO 78 -0.907 -18.466 1.758 641 HG3 PRO 78 HG1 PRO 78 -1.220 -19.601 3.084 642 HD2 PRO 78 HD2 PRO 78 -1.486 -16.881 3.298 643 HD3 PRO 78 HD1 PRO 78 -1.143 -17.952 4.668 644 HA PRO 79 HA PRO 79 3.781 -15.897 -0.056 645 HB2 PRO 79 HB2 PRO 79 4.353 -18.586 -1.207 646 HB3 PRO 79 HB1 PRO 79 5.414 -17.182 -1.044 647 HG2 PRO 79 HG2 PRO 79 5.672 -19.270 0.585 648 HG3 PRO 79 HG1 PRO 79 5.864 -17.615 1.191 649 HD2 PRO 79 HD2 PRO 79 3.571 -19.499 1.512 650 HD3 PRO 79 HD1 PRO 79 4.220 -18.305 2.653 651 H ASN 80 H ASN 80 2.329 -19.001 -1.067 652 HA ASN 80 HA ASN 80 0.327 -17.552 -2.615 653 HB2 ASN 80 HB2 ASN 80 2.281 -17.935 -4.126 654 HB3 ASN 80 HB1 ASN 80 2.081 -19.668 -3.880 655 HD21 ASN 80 1HD2 ASN 80 2.002 -18.599 -6.387 656 HD22 ASN 80 2HD2 ASN 80 0.396 -18.703 -7.017 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 1.841 16.213 11.869 2 H2 MET 1 HT2 MET 1 1.243 14.609 12.001 3 H3 MET 1 HT3 MET 1 1.186 15.427 10.493 4 HA MET 1 HA MET 1 2.943 13.997 10.301 5 HB2 MET 1 HB2 MET 1 4.033 16.666 11.221 6 HB3 MET 1 HB1 MET 1 4.861 15.521 10.175 7 HG2 MET 1 HG2 MET 1 4.050 16.815 8.541 8 HG3 MET 1 HG1 MET 1 2.584 15.868 8.787 9 HE1 MET 1 HE1 MET 1 3.353 20.062 10.515 10 HE2 MET 1 HE2 MET 1 4.151 19.523 9.038 11 HE3 MET 1 HE3 MET 1 4.474 18.702 10.565 12 H MET 2 H MET 2 2.194 12.959 12.590 13 HA MET 2 HA MET 2 3.939 13.369 14.790 14 HB2 MET 2 HB2 MET 2 1.765 11.527 14.083 15 HB3 MET 2 HB1 MET 2 2.991 10.813 15.121 16 HG2 MET 2 HG2 MET 2 1.559 11.656 16.679 17 HG3 MET 2 HG1 MET 2 2.670 13.013 16.499 18 HE1 MET 2 HE1 MET 2 -1.521 12.884 16.590 19 HE2 MET 2 HE2 MET 2 -0.684 14.147 17.492 20 HE3 MET 2 HE3 MET 2 -0.137 12.473 17.602 21 H SER 3 H SER 3 3.687 10.561 12.594 22 HA SER 3 HA SER 3 6.513 9.982 13.159 23 HB2 SER 3 HB2 SER 3 4.857 8.185 13.656 24 HB3 SER 3 HB1 SER 3 4.428 8.152 11.947 25 HG SER 3 HG SER 3 6.280 7.197 11.480 26 H LEU 4 H LEU 4 4.162 10.218 10.513 27 HA LEU 4 HA LEU 4 6.277 11.107 8.733 28 HB2 LEU 4 HB2 LEU 4 4.707 9.254 7.208 29 HB3 LEU 4 HB1 LEU 4 6.452 9.279 7.474 30 HG LEU 4 HG LEU 4 5.856 8.099 9.737 31 HD11 LEU 4 1HD1 LEU 4 3.545 8.149 9.827 32 HD12 LEU 4 2HD1 LEU 4 3.874 6.524 9.227 33 HD13 LEU 4 3HD1 LEU 4 3.369 7.791 8.109 34 HD21 LEU 4 3HD2 LEU 4 6.987 6.532 8.654 35 HD22 LEU 4 1HD2 LEU 4 6.487 7.189 7.096 36 HD23 LEU 4 2HD2 LEU 4 5.480 5.997 7.915 37 H VAL 5 H VAL 5 3.105 9.748 8.062 38 HA VAL 5 HA VAL 5 2.022 12.394 7.494 39 HB VAL 5 HB VAL 5 2.648 10.257 5.526 40 HG11 VAL 5 1HG1 VAL 5 0.437 10.102 5.170 41 HG12 VAL 5 2HG1 VAL 5 0.869 11.381 4.031 42 HG13 VAL 5 3HG1 VAL 5 0.100 11.789 5.571 43 HG21 VAL 5 3HG2 VAL 5 2.322 13.086 4.751 44 HG22 VAL 5 1HG2 VAL 5 3.555 11.906 4.309 45 HG23 VAL 5 2HG2 VAL 5 3.633 12.716 5.874 46 H SER 6 H SER 6 -0.138 12.525 7.849 47 HA SER 6 HA SER 6 -1.497 10.113 8.786 48 HB2 SER 6 HB2 SER 6 -1.534 12.204 10.173 49 HB3 SER 6 HB1 SER 6 -2.465 12.979 8.892 50 HG SER 6 HG SER 6 -4.077 11.392 9.209 51 H ASP 7 H ASP 7 -3.763 9.749 8.088 52 HA ASP 7 HA ASP 7 -4.064 9.443 5.376 53 HB2 ASP 7 HB2 ASP 7 -6.453 9.150 5.776 54 HB3 ASP 7 HB1 ASP 7 -5.528 8.387 7.066 55 H GLU 8 H GLU 8 -4.396 12.320 7.234 56 HA GLU 8 HA GLU 8 -6.101 13.904 5.761 57 HB2 GLU 8 HB2 GLU 8 -3.527 14.673 7.144 58 HB3 GLU 8 HB1 GLU 8 -4.772 15.810 6.632 59 HG2 GLU 8 HG2 GLU 8 -6.272 15.096 8.249 60 HG3 GLU 8 HG1 GLU 8 -5.441 13.557 8.481 61 H GLU 9 H GLU 9 -2.546 13.772 5.395 62 HA GLU 9 HA GLU 9 -2.376 15.417 3.169 63 HB2 GLU 9 HB2 GLU 9 -0.517 14.367 4.660 64 HB3 GLU 9 HB1 GLU 9 -0.549 13.059 3.486 65 HG2 GLU 9 HG2 GLU 9 -0.271 14.946 1.739 66 HG3 GLU 9 HG1 GLU 9 0.263 15.909 3.116 67 H TRP 10 H TRP 10 -3.405 12.112 3.400 68 HA TRP 10 HA TRP 10 -3.085 11.604 0.582 69 HB2 TRP 10 HB2 TRP 10 -2.814 9.791 2.227 70 HB3 TRP 10 HB1 TRP 10 -4.526 9.902 2.613 71 HD1 TRP 10 HD TRP 10 -6.246 9.049 0.750 72 HE1 TRP 10 HE1 TRP 10 -5.965 7.475 -1.259 73 HE3 TRP 10 HE3 TRP 10 -1.147 9.016 0.460 74 HZ2 TRP 10 HZ2 TRP 10 -3.856 6.343 -2.760 75 HZ3 TRP 10 HZ3 TRP 10 -0.074 7.658 -1.288 76 HH2 TRP 10 HH TRP 10 -1.401 6.349 -2.863 77 H VAL 11 H VAL 11 -5.679 12.901 2.518 78 HA VAL 11 HA VAL 11 -7.770 12.050 0.811 79 HB VAL 11 HB VAL 11 -8.457 12.722 2.995 80 HG11 VAL 11 1HG1 VAL 11 -8.238 15.394 3.330 81 HG12 VAL 11 2HG1 VAL 11 -6.736 15.049 2.483 82 HG13 VAL 11 3HG1 VAL 11 -7.105 14.218 3.992 83 HG21 VAL 11 3HG2 VAL 11 -9.873 14.871 2.270 84 HG22 VAL 11 1HG2 VAL 11 -10.250 13.239 1.708 85 HG23 VAL 11 2HG2 VAL 11 -9.323 14.335 0.679 86 H GLU 12 H GLU 12 -5.706 14.874 1.020 87 HA GLU 12 HA GLU 12 -6.999 16.360 -0.907 88 HB2 GLU 12 HB2 GLU 12 -4.344 16.367 0.328 89 HB3 GLU 12 HB1 GLU 12 -4.351 16.999 -1.313 90 HG2 GLU 12 HG2 GLU 12 -6.043 18.629 -0.701 91 HG3 GLU 12 HG1 GLU 12 -6.101 17.974 0.934 92 H TYR 13 H TYR 13 -4.916 13.670 -1.016 93 HA TYR 13 HA TYR 13 -4.326 13.698 -3.825 94 HB2 TYR 13 HB2 TYR 13 -3.766 11.924 -1.507 95 HB3 TYR 13 HB1 TYR 13 -3.725 11.187 -3.108 96 HD1 TYR 13 HD2 TYR 13 -2.568 14.456 -1.695 97 HD2 TYR 13 HD1 TYR 13 -1.572 10.945 -3.884 98 HE1 TYR 13 HE2 TYR 13 -0.287 15.313 -2.021 99 HE2 TYR 13 HE1 TYR 13 0.714 11.793 -4.214 100 HH TYR 13 HH TYR 13 1.713 14.441 -4.206 101 H LYS 14 H LYS 14 -6.523 11.937 -1.701 102 HA LYS 14 HA LYS 14 -7.544 10.035 -3.379 103 HB2 LYS 14 HB2 LYS 14 -8.739 11.602 -1.124 104 HB3 LYS 14 HB1 LYS 14 -9.734 10.465 -2.019 105 HG2 LYS 14 HG2 LYS 14 -8.596 8.626 -1.217 106 HG3 LYS 14 HG1 LYS 14 -7.113 9.541 -0.964 107 HD2 LYS 14 HD2 LYS 14 -8.589 8.750 1.063 108 HD3 LYS 14 HD1 LYS 14 -7.777 10.311 1.090 109 HE2 LYS 14 HE2 LYS 14 -9.780 11.466 0.571 110 HE3 LYS 14 HE1 LYS 14 -10.607 9.975 0.124 111 HZ1 LYS 14 HZ1 LYS 14 -11.213 9.639 2.219 112 HZ2 LYS 14 HZ2 LYS 14 -10.681 11.206 2.566 113 HZ3 LYS 14 HZ3 LYS 14 -9.647 9.891 2.810 114 H SER 15 H SER 15 -8.187 13.464 -3.480 115 HA SER 15 HA SER 15 -10.535 13.292 -5.085 116 HB2 SER 15 HB2 SER 15 -8.620 15.614 -4.785 117 HB3 SER 15 HB1 SER 15 -10.294 15.690 -5.335 118 HG SER 15 HG SER 15 -9.542 14.757 -2.766 119 H LYS 16 H LYS 16 -7.111 13.829 -5.541 120 HA LYS 16 HA LYS 16 -7.397 13.982 -8.367 121 HB2 LYS 16 HB2 LYS 16 -5.743 15.368 -7.177 122 HB3 LYS 16 HB1 LYS 16 -4.883 13.906 -6.715 123 HG2 LYS 16 HG2 LYS 16 -4.258 13.454 -8.952 124 HG3 LYS 16 HG1 LYS 16 -5.364 14.679 -9.578 125 HD2 LYS 16 HD2 LYS 16 -3.558 16.009 -9.614 126 HD3 LYS 16 HD1 LYS 16 -3.808 16.139 -7.871 127 HE2 LYS 16 HE2 LYS 16 -2.238 13.830 -8.888 128 HE3 LYS 16 HE1 LYS 16 -1.476 15.420 -8.913 129 HZ1 LYS 16 HZ1 LYS 16 -0.908 14.561 -6.853 130 HZ2 LYS 16 HZ2 LYS 16 -2.430 13.872 -6.590 131 HZ3 LYS 16 HZ3 LYS 16 -2.233 15.549 -6.488 132 H PHE 17 H PHE 17 -7.225 11.474 -6.202 133 HA PHE 17 HA PHE 17 -5.769 9.701 -8.017 134 HB2 PHE 17 HB2 PHE 17 -6.058 9.843 -5.187 135 HB3 PHE 17 HB1 PHE 17 -6.707 8.296 -5.722 136 HD1 PHE 17 HD1 PHE 17 -5.016 7.557 -7.935 137 HD2 PHE 17 HD2 PHE 17 -3.980 9.461 -4.272 138 HE1 PHE 17 HE1 PHE 17 -2.730 6.665 -8.122 139 HE2 PHE 17 HE2 PHE 17 -1.693 8.572 -4.453 140 HZ PHE 17 HZ PHE 17 -1.065 7.172 -6.380 141 H ASP 18 H ASP 18 -8.970 10.580 -7.327 142 HA ASP 18 HA ASP 18 -10.953 9.838 -8.170 143 HB2 ASP 18 HB2 ASP 18 -9.460 7.627 -9.579 144 HB3 ASP 18 HB1 ASP 18 -11.014 8.331 -10.011 145 H LYS 19 H LYS 19 -9.211 8.403 -5.929 146 HA LYS 19 HA LYS 19 -11.293 6.439 -5.311 147 HB2 LYS 19 HB2 LYS 19 -9.358 5.011 -4.333 148 HB3 LYS 19 HB1 LYS 19 -9.663 4.946 -6.063 149 HG2 LYS 19 HG2 LYS 19 -7.867 6.762 -6.256 150 HG3 LYS 19 HG1 LYS 19 -7.439 6.321 -4.601 151 HD2 LYS 19 HD2 LYS 19 -7.750 4.013 -6.356 152 HD3 LYS 19 HD1 LYS 19 -6.489 5.124 -6.893 153 HE2 LYS 19 HE2 LYS 19 -6.729 3.812 -4.190 154 HE3 LYS 19 HE1 LYS 19 -5.521 3.476 -5.429 155 HZ1 LYS 19 HZ1 LYS 19 -5.180 6.098 -5.078 156 HZ2 LYS 19 HZ2 LYS 19 -4.308 4.918 -4.234 157 HZ3 LYS 19 HZ3 LYS 19 -5.654 5.649 -3.516 158 H ASN 20 H ASN 20 -12.145 7.813 -3.777 159 HA ASN 20 HA ASN 20 -10.378 8.867 -1.729 160 HB2 ASN 20 HB2 ASN 20 -12.457 10.072 -0.968 161 HB3 ASN 20 HB1 ASN 20 -11.895 10.472 -2.588 162 HD21 ASN 20 1HD2 ASN 20 -14.550 9.824 -0.813 163 HD22 ASN 20 2HD2 ASN 20 -15.611 9.259 -2.054 164 H TYR 21 H TYR 21 -9.976 7.809 0.040 165 HA TYR 21 HA TYR 21 -12.161 6.407 1.388 166 HB2 TYR 21 HB2 TYR 21 -10.300 4.720 2.116 167 HB3 TYR 21 HB1 TYR 21 -11.094 4.519 0.556 168 HD1 TYR 21 HD2 TYR 21 -8.079 5.627 2.264 169 HD2 TYR 21 HD1 TYR 21 -9.838 4.775 -1.496 170 HE1 TYR 21 HE2 TYR 21 -5.879 5.670 1.237 171 HE2 TYR 21 HE1 TYR 21 -7.611 4.838 -2.554 172 HH TYR 21 HH TYR 21 -4.890 4.484 -1.104 173 H GLU 22 H GLU 22 -12.468 7.422 3.139 174 HA GLU 22 HA GLU 22 -10.605 9.163 4.399 175 HB2 GLU 22 HB2 GLU 22 -13.361 8.945 4.251 176 HB3 GLU 22 HB1 GLU 22 -13.000 8.612 5.939 177 HG2 GLU 22 HG2 GLU 22 -11.504 10.882 4.959 178 HG3 GLU 22 HG1 GLU 22 -13.241 11.097 4.739 179 H ALA 23 H ALA 23 -10.802 9.222 6.902 180 HA ALA 23 HA ALA 23 -8.996 7.593 8.030 181 HB1 ALA 23 HB1 ALA 23 -11.224 9.191 9.121 182 HB2 ALA 23 HB2 ALA 23 -9.488 9.311 9.405 183 HB3 ALA 23 HB3 ALA 23 -10.429 8.059 10.216 184 H GLU 24 H GLU 24 -12.458 6.770 7.740 185 HA GLU 24 HA GLU 24 -12.472 4.615 9.522 186 HB2 GLU 24 HB2 GLU 24 -13.988 4.583 6.918 187 HB3 GLU 24 HB1 GLU 24 -14.459 3.884 8.461 188 HG2 GLU 24 HG2 GLU 24 -14.195 6.555 9.048 189 HG3 GLU 24 HG1 GLU 24 -14.867 6.565 7.418 190 H GLU 25 H GLU 25 -11.990 4.526 5.994 191 HA GLU 25 HA GLU 25 -10.999 1.820 6.037 192 HB2 GLU 25 HB2 GLU 25 -11.733 3.800 4.032 193 HB3 GLU 25 HB1 GLU 25 -10.231 2.986 3.617 194 HG2 GLU 25 HG2 GLU 25 -11.481 0.813 4.065 195 HG3 GLU 25 HG1 GLU 25 -12.947 1.792 4.041 196 H ASP 26 H ASP 26 -9.741 5.057 5.848 197 HA ASP 26 HA ASP 26 -7.092 4.660 5.223 198 HB2 ASP 26 HB2 ASP 26 -8.604 6.719 6.714 199 HB3 ASP 26 HB1 ASP 26 -6.851 6.782 6.787 200 H LEU 27 H LEU 27 -8.668 4.265 8.352 201 HA LEU 27 HA LEU 27 -6.565 4.437 10.082 202 HB2 LEU 27 HB2 LEU 27 -9.130 3.726 10.264 203 HB3 LEU 27 HB1 LEU 27 -8.398 2.137 10.447 204 HG LEU 27 HG LEU 27 -7.095 4.103 12.116 205 HD11 LEU 27 1HD1 LEU 27 -9.546 4.928 11.935 206 HD12 LEU 27 2HD1 LEU 27 -8.794 4.787 13.524 207 HD13 LEU 27 3HD1 LEU 27 -9.903 3.538 12.960 208 HD21 LEU 27 3HD2 LEU 27 -7.702 2.392 13.862 209 HD22 LEU 27 1HD2 LEU 27 -6.745 1.794 12.508 210 HD23 LEU 27 2HD2 LEU 27 -8.478 1.474 12.572 211 H MET 28 H MET 28 -7.581 1.458 8.406 212 HA MET 28 HA MET 28 -5.303 -0.037 9.240 213 HB2 MET 28 HB2 MET 28 -5.978 -1.596 7.379 214 HB3 MET 28 HB1 MET 28 -7.247 -1.264 8.548 215 HG2 MET 28 HG2 MET 28 -8.323 0.254 7.041 216 HG3 MET 28 HG1 MET 28 -6.986 0.136 5.899 217 HE1 MET 28 HE1 MET 28 -10.332 -2.888 6.638 218 HE2 MET 28 HE2 MET 28 -10.560 -1.143 6.533 219 HE3 MET 28 HE3 MET 28 -9.623 -1.831 7.858 220 H ARG 29 H ARG 29 -6.056 2.157 6.689 221 HA ARG 29 HA ARG 29 -3.852 1.564 5.013 222 HB2 ARG 29 HB2 ARG 29 -5.818 3.732 5.218 223 HB3 ARG 29 HB1 ARG 29 -4.436 3.990 4.204 224 HG2 ARG 29 HG2 ARG 29 -5.161 2.546 2.607 225 HG3 ARG 29 HG1 ARG 29 -5.922 1.470 3.790 226 HD2 ARG 29 HD2 ARG 29 -7.858 2.795 3.908 227 HD3 ARG 29 HD1 ARG 29 -7.060 4.180 3.168 228 HE ARG 29 HE ARG 29 -7.201 3.095 1.063 229 HH11 ARG 29 1HH1 ARG 29 -8.955 1.446 3.596 230 HH12 ARG 29 2HH1 ARG 29 -9.804 0.413 2.500 231 HH21 ARG 29 1HH2 ARG 29 -8.283 1.693 -0.369 232 HH22 ARG 29 2HH2 ARG 29 -9.423 0.550 0.254 233 H ARG 30 H ARG 30 -4.351 3.556 7.829 234 HA ARG 30 HA ARG 30 -2.337 5.441 7.585 235 HB2 ARG 30 HB2 ARG 30 -3.303 3.931 10.021 236 HB3 ARG 30 HB1 ARG 30 -2.140 5.245 10.114 237 HG2 ARG 30 HG2 ARG 30 -4.858 5.563 8.876 238 HG3 ARG 30 HG1 ARG 30 -4.537 5.844 10.588 239 HD2 ARG 30 HD2 ARG 30 -2.673 7.413 9.760 240 HD3 ARG 30 HD1 ARG 30 -3.499 7.340 8.204 241 HE ARG 30 HE ARG 30 -5.146 8.683 9.053 242 HH11 ARG 30 1HH1 ARG 30 -3.237 7.434 11.693 243 HH12 ARG 30 2HH1 ARG 30 -3.994 8.440 12.882 244 HH21 ARG 30 1HH2 ARG 30 -6.143 10.007 10.614 245 HH22 ARG 30 2HH2 ARG 30 -5.646 9.901 12.269 246 H ARG 31 H ARG 31 -2.229 2.043 8.344 247 HA ARG 31 HA ARG 31 0.532 1.944 9.038 248 HB2 ARG 31 HB2 ARG 31 -1.102 -0.362 7.998 249 HB3 ARG 31 HB1 ARG 31 0.286 -0.415 9.076 250 HG2 ARG 31 HG2 ARG 31 -2.466 0.619 9.722 251 HG3 ARG 31 HG1 ARG 31 -1.709 -0.855 10.330 252 HD2 ARG 31 HD2 ARG 31 0.126 1.055 11.004 253 HD3 ARG 31 HD1 ARG 31 -1.396 1.922 11.198 254 HE ARG 31 HE ARG 31 -1.349 -0.681 12.432 255 HH11 ARG 31 1HH1 ARG 31 -0.661 2.716 12.853 256 HH12 ARG 31 2HH1 ARG 31 -0.783 2.653 14.578 257 HH21 ARG 31 1HH2 ARG 31 -1.509 -0.763 14.702 258 HH22 ARG 31 2HH2 ARG 31 -1.264 0.680 15.629 259 H ILE 32 H ILE 32 -1.291 1.672 5.993 260 HA ILE 32 HA ILE 32 1.092 0.802 4.550 261 HB ILE 32 HB ILE 32 -0.594 -0.124 3.419 262 HG12 ILE 32 2HG1 ILE 32 -1.256 1.115 1.446 263 HG13 ILE 32 1HG1 ILE 32 -0.693 2.598 2.226 264 HG21 ILE 32 1HG2 ILE 32 -2.833 0.787 3.162 265 HG22 ILE 32 2HG2 ILE 32 -2.337 2.132 4.179 266 HG23 ILE 32 3HG2 ILE 32 -2.353 0.495 4.832 267 HD11 ILE 32 3HD1 ILE 32 1.334 2.210 1.471 268 HD12 ILE 32 1HD1 ILE 32 0.683 0.781 0.694 269 HD13 ILE 32 2HD1 ILE 32 1.361 0.661 2.306 270 H TYR 33 H TYR 33 -0.709 3.626 5.175 271 HA TYR 33 HA TYR 33 0.547 5.228 3.312 272 HB2 TYR 33 HB2 TYR 33 -1.575 5.755 4.681 273 HB3 TYR 33 HB1 TYR 33 -0.441 6.386 5.877 274 HD1 TYR 33 HD2 TYR 33 1.166 6.776 2.884 275 HD2 TYR 33 HD1 TYR 33 -2.101 8.425 5.063 276 HE1 TYR 33 HE2 TYR 33 1.350 8.845 1.585 277 HE2 TYR 33 HE1 TYR 33 -1.905 10.516 3.780 278 HH TYR 33 HH TYR 33 -1.017 11.303 1.653 279 H ALA 34 H ALA 34 1.507 4.197 6.488 280 HA ALA 34 HA ALA 34 3.421 6.161 7.019 281 HB1 ALA 34 HB1 ALA 34 4.340 4.631 8.656 282 HB2 ALA 34 HB2 ALA 34 3.481 3.288 7.903 283 HB3 ALA 34 HB3 ALA 34 2.579 4.575 8.703 284 H GLU 35 H GLU 35 3.814 2.995 5.553 285 HA GLU 35 HA GLU 35 6.563 3.140 5.023 286 HB2 GLU 35 HB2 GLU 35 5.997 1.509 3.171 287 HB3 GLU 35 HB1 GLU 35 5.466 1.049 4.788 288 HG2 GLU 35 HG2 GLU 35 3.334 2.508 3.850 289 HG3 GLU 35 HG1 GLU 35 3.913 1.642 2.403 290 H SER 36 H SER 36 3.794 4.479 3.403 291 HA SER 36 HA SER 36 4.611 4.943 0.850 292 HB2 SER 36 HB2 SER 36 2.421 5.594 1.409 293 HB3 SER 36 HB1 SER 36 2.975 6.572 2.753 294 HG SER 36 HG SER 36 3.082 8.183 1.476 295 H LYS 37 H LYS 37 5.137 7.238 3.553 296 HA LYS 37 HA LYS 37 6.691 9.011 2.020 297 HB2 LYS 37 HB2 LYS 37 7.225 8.699 4.922 298 HB3 LYS 37 HB1 LYS 37 7.146 10.164 3.966 299 HG2 LYS 37 HG2 LYS 37 4.918 8.575 5.165 300 HG3 LYS 37 HG1 LYS 37 5.245 10.304 5.273 301 HD2 LYS 37 HD2 LYS 37 4.212 8.804 2.865 302 HD3 LYS 37 HD1 LYS 37 3.316 9.935 3.865 303 HE2 LYS 37 HE2 LYS 37 5.205 11.598 3.183 304 HE3 LYS 37 HE1 LYS 37 5.460 10.465 1.857 305 HZ1 LYS 37 HZ1 LYS 37 2.936 10.708 1.522 306 HZ2 LYS 37 HZ2 LYS 37 3.943 11.958 0.992 307 HZ3 LYS 37 HZ3 LYS 37 3.090 12.119 2.442 308 H ALA 38 H ALA 38 7.493 6.133 3.873 309 HA ALA 38 HA ALA 38 10.265 6.310 3.908 310 HB1 ALA 38 HB1 ALA 38 8.516 4.427 4.708 311 HB2 ALA 38 HB2 ALA 38 10.249 4.139 4.556 312 HB3 ALA 38 HB3 ALA 38 9.159 3.660 3.255 313 H ARG 39 H ARG 39 8.030 5.463 1.451 314 HA ARG 39 HA ARG 39 9.882 4.636 -0.538 315 HB2 ARG 39 HB2 ARG 39 7.139 5.717 -1.013 316 HB3 ARG 39 HB1 ARG 39 7.999 4.493 -1.944 317 HG2 ARG 39 HG2 ARG 39 7.677 3.705 0.825 318 HG3 ARG 39 HG1 ARG 39 6.120 4.044 0.051 319 HD2 ARG 39 HD2 ARG 39 6.285 2.281 -1.363 320 HD3 ARG 39 HD1 ARG 39 8.032 2.445 -1.531 321 HE ARG 39 HE ARG 39 7.448 1.551 1.064 322 HH11 ARG 39 1HH1 ARG 39 7.330 0.428 -2.239 323 HH12 ARG 39 2HH1 ARG 39 7.549 -1.236 -1.812 324 HH21 ARG 39 1HH2 ARG 39 7.735 -0.639 1.626 325 HH22 ARG 39 2HH2 ARG 39 7.778 -1.842 0.381 326 H ILE 40 H ILE 40 8.407 7.670 0.437 327 HA ILE 40 HA ILE 40 9.121 9.096 -1.907 328 HB ILE 40 HB ILE 40 8.504 10.050 0.878 329 HG12 ILE 40 2HG1 ILE 40 6.411 9.536 0.267 330 HG13 ILE 40 1HG1 ILE 40 6.512 10.782 -0.963 331 HG21 ILE 40 1HG2 ILE 40 9.907 11.634 -0.568 332 HG22 ILE 40 2HG2 ILE 40 8.408 12.262 0.115 333 HG23 ILE 40 3HG2 ILE 40 8.469 11.775 -1.579 334 HD11 ILE 40 3HD1 ILE 40 5.791 8.363 -1.597 335 HD12 ILE 40 1HD1 ILE 40 7.528 8.010 -1.575 336 HD13 ILE 40 2HD1 ILE 40 6.877 9.256 -2.654 337 H GLU 41 H GLU 41 10.671 8.225 0.995 338 HA GLU 41 HA GLU 41 13.040 9.816 0.689 339 HB2 GLU 41 HB2 GLU 41 12.153 7.576 2.442 340 HB3 GLU 41 HB1 GLU 41 13.887 7.790 2.234 341 HG2 GLU 41 HG2 GLU 41 13.534 9.079 4.076 342 HG3 GLU 41 HG1 GLU 41 13.329 10.286 2.806 343 H GLU 42 H GLU 42 11.770 6.910 -0.538 344 HA GLU 42 HA GLU 42 13.808 5.242 -1.210 345 HB2 GLU 42 HB2 GLU 42 11.360 4.880 -1.531 346 HB3 GLU 42 HB1 GLU 42 11.394 6.052 -2.817 347 HG2 GLU 42 HG2 GLU 42 11.828 4.560 -4.309 348 HG3 GLU 42 HG1 GLU 42 13.313 4.087 -3.460 349 H HIS 43 H HIS 43 12.334 7.395 -3.638 350 HA HIS 43 HA HIS 43 14.597 7.078 -5.380 351 HB2 HIS 43 HB2 HIS 43 11.988 8.530 -5.568 352 HB3 HIS 43 HB1 HIS 43 13.210 8.663 -6.827 353 HD1 HIS 43 HD1 HIS 43 13.755 6.455 -8.163 354 HD2 HIS 43 HD2 HIS 43 10.496 6.210 -5.598 355 HE1 HIS 43 HE1 HIS 43 12.515 4.376 -8.847 356 HE2 HIS 43 HE2 HIS 43 10.606 4.193 -7.212 357 H ASN 44 H ASN 44 13.343 9.536 -3.276 358 HA ASN 44 HA ASN 44 14.753 11.697 -4.337 359 HB2 ASN 44 HB2 ASN 44 13.154 11.143 -1.986 360 HB3 ASN 44 HB1 ASN 44 14.443 12.310 -1.676 361 HD21 ASN 44 1HD2 ASN 44 14.406 14.268 -2.658 362 HD22 ASN 44 2HD2 ASN 44 13.044 14.866 -3.543 363 H ARG 45 H ARG 45 15.714 9.155 -2.200 364 HA ARG 45 HA ARG 45 18.199 10.482 -1.472 365 HB2 ARG 45 HB2 ARG 45 16.787 7.983 -0.686 366 HB3 ARG 45 HB1 ARG 45 18.535 8.035 -0.481 367 HG2 ARG 45 HG2 ARG 45 16.612 10.046 0.674 368 HG3 ARG 45 HG1 ARG 45 17.283 8.670 1.550 369 HD2 ARG 45 HD2 ARG 45 19.564 9.573 1.031 370 HD3 ARG 45 HD1 ARG 45 18.778 11.017 0.395 371 HE ARG 45 HE ARG 45 17.807 10.583 2.972 372 HH11 ARG 45 1HH1 ARG 45 20.821 11.396 1.411 373 HH12 ARG 45 2HH1 ARG 45 21.426 12.289 2.766 374 HH21 ARG 45 1HH2 ARG 45 18.601 11.758 4.754 375 HH22 ARG 45 2HH2 ARG 45 20.166 12.494 4.665 376 H LYS 46 H LYS 46 16.985 8.417 -3.866 377 HA LYS 46 HA LYS 46 19.228 6.847 -4.525 378 HB2 LYS 46 HB2 LYS 46 16.571 7.380 -5.380 379 HB3 LYS 46 HB1 LYS 46 17.609 7.254 -6.777 380 HG2 LYS 46 HG2 LYS 46 18.074 5.048 -6.440 381 HG3 LYS 46 HG1 LYS 46 17.859 5.167 -4.692 382 HD2 LYS 46 HD2 LYS 46 15.590 4.899 -4.813 383 HD3 LYS 46 HD1 LYS 46 15.485 5.601 -6.429 384 HE2 LYS 46 HE2 LYS 46 15.960 3.627 -7.467 385 HE3 LYS 46 HE1 LYS 46 16.953 3.041 -6.134 386 HZ1 LYS 46 HZ1 LYS 46 15.024 2.493 -4.894 387 HZ2 LYS 46 HZ2 LYS 46 14.803 1.852 -6.443 388 HZ3 LYS 46 HZ3 LYS 46 13.999 3.271 -5.993 389 H PHE 47 H PHE 47 17.947 9.682 -6.354 390 HA PHE 47 HA PHE 47 20.259 9.862 -8.017 391 HB2 PHE 47 HB2 PHE 47 19.439 12.083 -8.650 392 HB3 PHE 47 HB1 PHE 47 18.155 10.889 -8.786 393 HD1 PHE 47 HD1 PHE 47 19.353 13.824 -6.957 394 HD2 PHE 47 HD2 PHE 47 16.291 10.919 -7.354 395 HE1 PHE 47 HE1 PHE 47 17.863 15.229 -5.590 396 HE2 PHE 47 HE2 PHE 47 14.777 12.316 -5.999 397 HZ PHE 47 HZ PHE 47 15.566 14.473 -5.109 398 H GLU 48 H GLU 48 19.028 10.993 -5.104 399 HA GLU 48 HA GLU 48 20.746 12.958 -4.309 400 HB2 GLU 48 HB2 GLU 48 18.766 11.201 -3.269 401 HB3 GLU 48 HB1 GLU 48 20.156 11.158 -2.161 402 HG2 GLU 48 HG2 GLU 48 18.915 13.736 -3.084 403 HG3 GLU 48 HG1 GLU 48 18.362 12.869 -1.653 404 H LYS 49 H LYS 49 21.304 9.720 -5.111 405 HA LYS 49 HA LYS 49 23.803 9.515 -3.629 406 HB2 LYS 49 HB2 LYS 49 21.780 7.668 -4.168 407 HB3 LYS 49 HB1 LYS 49 23.146 7.179 -5.161 408 HG2 LYS 49 HG2 LYS 49 24.447 7.566 -2.879 409 HG3 LYS 49 HG1 LYS 49 22.850 7.215 -2.216 410 HD2 LYS 49 HD2 LYS 49 22.783 5.115 -3.450 411 HD3 LYS 49 HD1 LYS 49 24.357 5.470 -4.163 412 HE2 LYS 49 HE2 LYS 49 24.281 5.599 -1.232 413 HE3 LYS 49 HE1 LYS 49 23.961 4.000 -1.904 414 HZ1 LYS 49 HZ1 LYS 49 26.028 4.129 -3.130 415 HZ2 LYS 49 HZ2 LYS 49 26.320 4.354 -1.480 416 HZ3 LYS 49 HZ3 LYS 49 26.329 5.682 -2.528 417 H GLY 50 H GLY 50 23.170 11.089 -6.216 418 HA2 GLY 50 HA2 GLY 50 24.202 11.468 -8.261 419 HA3 GLY 50 HA1 GLY 50 25.652 10.833 -7.476 420 H GLU 51 H GLU 51 22.710 9.122 -7.762 421 HA GLU 51 HA GLU 51 23.981 6.928 -9.134 422 HB2 GLU 51 HB2 GLU 51 22.045 7.329 -7.102 423 HB3 GLU 51 HB1 GLU 51 21.203 6.553 -8.462 424 HG2 GLU 51 HG2 GLU 51 23.784 5.486 -7.356 425 HG3 GLU 51 HG1 GLU 51 22.208 5.020 -6.716 426 H VAL 52 H VAL 52 20.859 8.600 -9.457 427 HA VAL 52 HA VAL 52 21.008 8.774 -12.324 428 HB VAL 52 HB VAL 52 19.660 7.043 -12.843 429 HG11 VAL 52 1HG1 VAL 52 19.569 6.442 -9.915 430 HG12 VAL 52 2HG1 VAL 52 20.793 5.853 -11.044 431 HG13 VAL 52 3HG1 VAL 52 19.118 5.316 -11.197 432 HG21 VAL 52 3HG2 VAL 52 17.403 6.768 -11.638 433 HG22 VAL 52 1HG2 VAL 52 17.671 8.187 -12.643 434 HG23 VAL 52 2HG2 VAL 52 17.799 8.318 -10.883 435 H THR 53 H THR 53 18.709 9.762 -12.951 436 HA THR 53 HA THR 53 18.000 11.394 -10.618 437 HB THR 53 HB THR 53 19.007 12.564 -12.523 438 HG1 THR 53 HG1 THR 53 17.842 14.191 -11.899 439 HG21 THR 53 3HG2 THR 53 16.510 12.525 -14.081 440 HG22 THR 53 1HG2 THR 53 17.502 11.069 -14.173 441 HG23 THR 53 2HG2 THR 53 18.187 12.632 -14.616 442 H TRP 54 H TRP 54 16.614 10.076 -9.773 443 HA TRP 54 HA TRP 54 14.016 9.770 -11.091 444 HB2 TRP 54 HB2 TRP 54 13.851 7.481 -9.888 445 HB3 TRP 54 HB1 TRP 54 14.735 7.579 -11.403 446 HD1 TRP 54 HD TRP 54 16.880 8.940 -8.708 447 HE1 TRP 54 HE1 TRP 54 18.634 7.201 -7.998 448 HE3 TRP 54 HE3 TRP 54 14.831 4.810 -10.911 449 HZ2 TRP 54 HZ2 TRP 54 19.057 4.422 -8.293 450 HZ3 TRP 54 HZ3 TRP 54 15.967 2.644 -10.636 451 HH2 TRP 54 HH TRP 54 18.035 2.456 -9.354 452 H LYS 55 H LYS 55 12.330 10.291 -9.823 453 HA LYS 55 HA LYS 55 12.858 10.615 -6.949 454 HB2 LYS 55 HB2 LYS 55 10.606 12.151 -7.422 455 HB3 LYS 55 HB1 LYS 55 12.246 12.727 -7.099 456 HG2 LYS 55 HG2 LYS 55 12.659 12.490 -9.580 457 HG3 LYS 55 HG1 LYS 55 10.904 12.400 -9.753 458 HD2 LYS 55 HD2 LYS 55 11.641 14.689 -10.074 459 HD3 LYS 55 HD1 LYS 55 10.719 14.568 -8.575 460 HE2 LYS 55 HE2 LYS 55 12.481 15.139 -7.310 461 HE3 LYS 55 HE1 LYS 55 13.589 14.125 -8.234 462 HZ1 LYS 55 HZ1 LYS 55 12.759 16.908 -8.772 463 HZ2 LYS 55 HZ2 LYS 55 13.409 15.940 -9.997 464 HZ3 LYS 55 HZ3 LYS 55 14.323 16.281 -8.616 465 H MET 56 H MET 56 11.173 10.442 -5.564 466 HA MET 56 HA MET 56 9.707 8.039 -5.777 467 HB2 MET 56 HB2 MET 56 8.385 9.418 -3.870 468 HB3 MET 56 HB1 MET 56 9.887 8.559 -3.566 469 HG2 MET 56 HG2 MET 56 9.850 10.802 -2.599 470 HG3 MET 56 HG1 MET 56 11.107 10.643 -3.820 471 HE1 MET 56 HE1 MET 56 7.515 11.222 -3.304 472 HE2 MET 56 HE2 MET 56 6.988 12.066 -4.761 473 HE3 MET 56 HE3 MET 56 7.495 12.985 -3.343 474 H GLY 57 H GLY 57 7.137 8.179 -5.285 475 HA2 GLY 57 HA2 GLY 57 5.863 10.404 -6.624 476 HA3 GLY 57 HA1 GLY 57 5.730 8.861 -7.452 477 H ILE 58 H ILE 58 5.850 8.294 -4.141 478 HA ILE 58 HA ILE 58 4.275 7.597 -2.631 479 HB ILE 58 HB ILE 58 2.808 9.789 -4.031 480 HG12 ILE 58 2HG1 ILE 58 4.952 10.200 -2.602 481 HG13 ILE 58 1HG1 ILE 58 3.566 11.262 -2.390 482 HG21 ILE 58 1HG2 ILE 58 1.520 9.706 -1.684 483 HG22 ILE 58 2HG2 ILE 58 1.930 7.998 -1.848 484 HG23 ILE 58 3HG2 ILE 58 0.986 8.802 -3.102 485 HD11 ILE 58 3HD1 ILE 58 4.614 10.591 -0.268 486 HD12 ILE 58 1HD1 ILE 58 4.206 8.909 -0.615 487 HD13 ILE 58 2HD1 ILE 58 2.925 10.099 -0.383 488 H ASN 59 H ASN 59 3.985 5.549 -3.625 489 HA ASN 59 HA ASN 59 2.427 5.302 -5.877 490 HB2 ASN 59 HB2 ASN 59 2.921 3.155 -3.798 491 HB3 ASN 59 HB1 ASN 59 2.399 2.878 -5.457 492 HD21 ASN 59 1HD2 ASN 59 3.996 2.054 -6.582 493 HD22 ASN 59 2HD2 ASN 59 5.648 2.554 -6.527 494 H HIS 60 H HIS 60 0.288 4.456 -6.187 495 HA HIS 60 HA HIS 60 -1.696 5.677 -4.708 496 HB2 HIS 60 HB2 HIS 60 -3.244 3.983 -5.804 497 HB3 HIS 60 HB1 HIS 60 -2.237 4.933 -6.890 498 HD1 HIS 60 HD1 HIS 60 -2.917 1.469 -5.792 499 HD2 HIS 60 HD2 HIS 60 -0.120 3.471 -8.122 500 HE1 HIS 60 HE1 HIS 60 -1.712 -0.323 -7.082 501 HE2 HIS 60 HE2 HIS 60 0.022 0.908 -8.434 502 H LEU 61 H LEU 61 -0.786 2.206 -4.549 503 HA LEU 61 HA LEU 61 -2.548 1.768 -2.380 504 HB2 LEU 61 HB2 LEU 61 -1.632 -0.363 -2.087 505 HB3 LEU 61 HB1 LEU 61 -1.734 -0.082 -3.814 506 HG LEU 61 HG LEU 61 0.314 -1.270 -2.712 507 HD11 LEU 61 1HD1 LEU 61 0.614 -1.193 -4.930 508 HD12 LEU 61 2HD1 LEU 61 1.728 0.121 -4.554 509 HD13 LEU 61 3HD1 LEU 61 0.074 0.481 -5.048 510 HD21 LEU 61 3HD2 LEU 61 2.181 0.079 -2.171 511 HD22 LEU 61 1HD2 LEU 61 0.835 0.595 -1.156 512 HD23 LEU 61 2HD2 LEU 61 1.311 1.556 -2.564 513 H ALA 62 H ALA 62 0.276 3.552 -2.442 514 HA ALA 62 HA ALA 62 1.508 2.648 -0.117 515 HB1 ALA 62 HB1 ALA 62 2.638 4.663 0.091 516 HB2 ALA 62 HB2 ALA 62 1.494 5.516 -0.962 517 HB3 ALA 62 HB3 ALA 62 2.563 4.276 -1.634 518 H ASP 63 H ASP 63 -1.558 3.593 -0.381 519 HA ASP 63 HA ASP 63 -1.605 4.512 2.379 520 HB2 ASP 63 HB2 ASP 63 -2.323 6.123 0.495 521 HB3 ASP 63 HB1 ASP 63 -3.747 5.113 0.337 522 H LEU 64 H LEU 64 -2.661 2.439 -0.145 523 HA LEU 64 HA LEU 64 -3.917 0.802 1.912 524 HB2 LEU 64 HB2 LEU 64 -5.626 0.153 0.347 525 HB3 LEU 64 HB1 LEU 64 -5.744 1.846 0.778 526 HG LEU 64 HG LEU 64 -4.193 2.041 -1.402 527 HD11 LEU 64 1HD1 LEU 64 -4.048 0.090 -2.361 528 HD12 LEU 64 2HD1 LEU 64 -5.629 0.501 -3.040 529 HD13 LEU 64 3HD1 LEU 64 -5.520 -0.545 -1.620 530 HD21 LEU 64 3HD2 LEU 64 -6.708 2.833 -0.705 531 HD22 LEU 64 1HD2 LEU 64 -7.022 1.860 -2.140 532 HD23 LEU 64 2HD2 LEU 64 -5.913 3.229 -2.226 533 H THR 65 H THR 65 -2.242 -0.497 1.933 534 HA THR 65 HA THR 65 -1.549 -1.956 -0.516 535 HB THR 65 HB THR 65 0.199 -2.884 1.443 536 HG1 THR 65 HG1 THR 65 0.846 -1.263 2.643 537 HG21 THR 65 3HG2 THR 65 1.549 -0.748 0.286 538 HG22 THR 65 1HG2 THR 65 0.401 -1.310 -0.922 539 HG23 THR 65 2HG2 THR 65 1.558 -2.434 -0.222 540 HA PRO 66 HA PRO 66 -2.890 -6.119 0.804 541 HB2 PRO 66 HB2 PRO 66 -0.754 -6.956 2.468 542 HB3 PRO 66 HB1 PRO 66 -0.951 -7.335 0.749 543 HG2 PRO 66 HG2 PRO 66 0.475 -5.009 2.023 544 HG3 PRO 66 HG1 PRO 66 1.075 -6.102 0.732 545 HD2 PRO 66 HD2 PRO 66 0.193 -3.819 -0.051 546 HD3 PRO 66 HD1 PRO 66 -0.616 -5.222 -0.790 547 H GLU 67 H GLU 67 -1.373 -3.952 3.125 548 HA GLU 67 HA GLU 67 -2.388 -4.913 5.560 549 HB2 GLU 67 HB2 GLU 67 -2.561 -1.967 5.101 550 HB3 GLU 67 HB1 GLU 67 -1.737 -2.845 6.408 551 HG2 GLU 67 HG2 GLU 67 -0.773 -2.136 3.666 552 HG3 GLU 67 HG1 GLU 67 -0.085 -1.682 5.227 553 H GLU 68 H GLU 68 -3.473 -2.465 3.389 554 HA GLU 68 HA GLU 68 -6.147 -2.269 4.440 555 HB2 GLU 68 HB2 GLU 68 -5.027 -0.308 3.569 556 HB3 GLU 68 HB1 GLU 68 -4.815 -1.089 2.008 557 HG2 GLU 68 HG2 GLU 68 -7.554 -0.731 3.133 558 HG3 GLU 68 HG1 GLU 68 -6.726 0.596 2.316 559 H PHE 69 H PHE 69 -4.626 -3.310 1.473 560 HA PHE 69 HA PHE 69 -6.757 -4.087 -0.046 561 HB2 PHE 69 HB2 PHE 69 -3.883 -4.717 0.109 562 HB3 PHE 69 HB1 PHE 69 -4.847 -5.911 -0.746 563 HD1 PHE 69 HD1 PHE 69 -6.367 -5.042 -2.608 564 HD2 PHE 69 HD2 PHE 69 -3.104 -2.766 -1.004 565 HE1 PHE 69 HE1 PHE 69 -6.302 -3.683 -4.654 566 HE2 PHE 69 HE2 PHE 69 -3.059 -1.428 -3.058 567 HZ PHE 69 HZ PHE 69 -4.649 -1.876 -4.880 568 H ALA 70 H ALA 70 -5.076 -5.954 2.449 569 HA ALA 70 HA ALA 70 -6.698 -8.295 1.981 570 HB1 ALA 70 HB1 ALA 70 -4.790 -7.763 4.250 571 HB2 ALA 70 HB2 ALA 70 -4.330 -8.451 2.692 572 HB3 ALA 70 HB3 ALA 70 -5.439 -9.325 3.750 573 H GLN 71 H GLN 71 -6.424 -5.821 4.513 574 HA GLN 71 HA GLN 71 -8.546 -6.953 6.079 575 HB2 GLN 71 HB2 GLN 71 -7.134 -4.292 6.275 576 HB3 GLN 71 HB1 GLN 71 -8.291 -4.896 7.452 577 HG2 GLN 71 HG2 GLN 71 -5.611 -6.074 6.768 578 HG3 GLN 71 HG1 GLN 71 -6.080 -5.280 8.270 579 HE21 GLN 71 1HE2 GLN 71 -5.166 -8.082 7.423 580 HE22 GLN 71 2HE2 GLN 71 -6.274 -9.126 8.238 581 H ARG 72 H ARG 72 -8.562 -5.077 3.289 582 HA ARG 72 HA ARG 72 -10.982 -3.620 3.958 583 HB2 ARG 72 HB2 ARG 72 -10.783 -2.548 1.840 584 HB3 ARG 72 HB1 ARG 72 -9.170 -2.614 2.528 585 HG2 ARG 72 HG2 ARG 72 -8.580 -3.373 0.506 586 HG3 ARG 72 HG1 ARG 72 -9.209 -4.914 1.089 587 HD2 ARG 72 HD2 ARG 72 -10.370 -4.755 -0.865 588 HD3 ARG 72 HD1 ARG 72 -11.488 -3.910 0.204 589 HE ARG 72 HE ARG 72 -11.040 -1.960 -0.917 590 HH11 ARG 72 1HH1 ARG 72 -8.649 -4.350 -1.787 591 HH12 ARG 72 2HH1 ARG 72 -7.969 -3.389 -3.057 592 HH21 ARG 72 1HH2 ARG 72 -10.147 -0.696 -2.588 593 HH22 ARG 72 2HH2 ARG 72 -8.819 -1.314 -3.511 594 H SER 73 H SER 73 -9.902 -6.403 2.170 595 HA SER 73 HA SER 73 -12.213 -7.830 2.312 596 HB2 SER 73 HB2 SER 73 -12.262 -5.877 0.083 597 HB3 SER 73 HB1 SER 73 -12.791 -7.513 -0.307 598 HG SER 73 HG SER 73 -13.878 -5.689 1.542 599 H GLY 74 H GLY 74 -9.353 -7.048 0.494 600 HA2 GLY 74 HA2 GLY 74 -9.046 -9.129 -1.248 601 HA3 GLY 74 HA1 GLY 74 -7.712 -8.426 -0.348 602 H LYS 75 H LYS 75 -8.842 -9.301 2.242 603 HA LYS 75 HA LYS 75 -8.662 -11.054 3.679 604 HB2 LYS 75 HB2 LYS 75 -9.535 -12.504 1.189 605 HB3 LYS 75 HB1 LYS 75 -9.237 -13.351 2.699 606 HG2 LYS 75 HG2 LYS 75 -10.981 -12.165 3.800 607 HG3 LYS 75 HG1 LYS 75 -11.170 -11.064 2.434 608 HD2 LYS 75 HD2 LYS 75 -11.516 -13.501 1.249 609 HD3 LYS 75 HD1 LYS 75 -12.229 -13.767 2.842 610 HE2 LYS 75 HE2 LYS 75 -12.957 -11.632 0.844 611 HE3 LYS 75 HE1 LYS 75 -13.946 -13.000 1.355 612 HZ1 LYS 75 HZ1 LYS 75 -13.052 -10.814 3.155 613 HZ2 LYS 75 HZ2 LYS 75 -14.121 -12.066 3.539 614 HZ3 LYS 75 HZ3 LYS 75 -14.574 -10.884 2.418 615 H LYS 76 H LYS 76 -6.332 -10.125 2.141 616 HA LYS 76 HA LYS 76 -4.126 -10.613 1.939 617 HB2 LYS 76 HB2 LYS 76 -5.013 -12.036 4.180 618 HB3 LYS 76 HB1 LYS 76 -4.055 -13.189 3.262 619 HG2 LYS 76 HG2 LYS 76 -2.743 -10.619 3.429 620 HG3 LYS 76 HG1 LYS 76 -3.117 -11.269 5.026 621 HD2 LYS 76 HD2 LYS 76 -1.907 -13.081 2.993 622 HD3 LYS 76 HD1 LYS 76 -0.875 -11.890 3.788 623 HE2 LYS 76 HE2 LYS 76 -0.676 -13.768 5.147 624 HE3 LYS 76 HE1 LYS 76 -1.885 -12.789 5.977 625 HZ1 LYS 76 HZ1 LYS 76 -3.517 -14.264 5.531 626 HZ2 LYS 76 HZ2 LYS 76 -2.226 -15.355 5.461 627 HZ3 LYS 76 HZ3 LYS 76 -2.875 -14.720 4.033 628 H VAL 77 H VAL 77 -4.562 -10.950 -0.339 629 HA VAL 77 HA VAL 77 -4.818 -13.686 -1.264 630 HB VAL 77 HB VAL 77 -4.363 -11.248 -2.979 631 HG11 VAL 77 1HG1 VAL 77 -5.274 -14.054 -3.458 632 HG12 VAL 77 2HG1 VAL 77 -4.069 -13.103 -4.327 633 HG13 VAL 77 3HG1 VAL 77 -5.786 -12.757 -4.537 634 HG21 VAL 77 3HG2 VAL 77 -6.332 -11.036 -1.401 635 HG22 VAL 77 1HG2 VAL 77 -7.047 -12.401 -2.259 636 HG23 VAL 77 2HG2 VAL 77 -6.697 -10.902 -3.121 637 HA PRO 78 HA PRO 78 -0.379 -12.802 -2.778 638 HB2 PRO 78 HB2 PRO 78 0.889 -10.547 -2.116 639 HB3 PRO 78 HB1 PRO 78 -0.294 -10.578 -3.430 640 HG2 PRO 78 HG2 PRO 78 -0.598 -9.591 -0.628 641 HG3 PRO 78 HG1 PRO 78 -1.230 -8.904 -2.134 642 HD2 PRO 78 HD2 PRO 78 -2.675 -10.474 -0.361 643 HD3 PRO 78 HD1 PRO 78 -3.097 -10.201 -2.062 644 HA PRO 79 HA PRO 79 1.892 -14.222 0.733 645 HB2 PRO 79 HB2 PRO 79 4.479 -13.670 0.096 646 HB3 PRO 79 HB1 PRO 79 3.550 -14.963 -0.671 647 HG2 PRO 79 HG2 PRO 79 4.128 -12.199 -1.665 648 HG3 PRO 79 HG1 PRO 79 4.166 -13.736 -2.548 649 HD2 PRO 79 HD2 PRO 79 2.084 -12.022 -2.720 650 HD3 PRO 79 HD1 PRO 79 1.875 -13.782 -2.819 651 H ASN 80 H ASN 80 3.344 -13.602 2.514 652 HA ASN 80 HA ASN 80 3.957 -12.209 4.203 653 HB2 ASN 80 HB2 ASN 80 4.805 -10.926 1.770 654 HB3 ASN 80 HB1 ASN 80 4.327 -9.706 2.946 655 HD21 ASN 80 1HD2 ASN 80 6.249 -12.664 2.651 656 HD22 ASN 80 2HD2 ASN 80 7.501 -12.166 3.733 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 2.441 8.303 10.836 2 H2 MET 1 HT2 MET 1 1.210 7.184 11.254 3 H3 MET 1 HT3 MET 1 1.905 8.189 12.459 4 HA MET 1 HA MET 1 0.083 8.889 10.278 5 HB2 MET 1 HB2 MET 1 0.080 8.733 13.225 6 HB3 MET 1 HB1 MET 1 -0.690 10.169 12.562 7 HG2 MET 1 HG2 MET 1 -2.109 8.715 11.162 8 HG3 MET 1 HG1 MET 1 -1.385 7.309 11.939 9 HE1 MET 1 HE1 MET 1 -1.848 6.417 14.071 10 HE2 MET 1 HE2 MET 1 -2.937 7.041 15.311 11 HE3 MET 1 HE3 MET 1 -1.344 7.765 15.092 12 H MET 2 H MET 2 1.536 10.648 13.005 13 HA MET 2 HA MET 2 1.789 13.015 11.361 14 HB2 MET 2 HB2 MET 2 1.940 12.386 14.249 15 HB3 MET 2 HB1 MET 2 2.925 13.736 13.703 16 HG2 MET 2 HG2 MET 2 0.651 14.410 12.512 17 HG3 MET 2 HG1 MET 2 -0.018 13.460 13.837 18 HE1 MET 2 HE1 MET 2 0.309 17.672 14.195 19 HE2 MET 2 HE2 MET 2 -0.559 16.500 13.203 20 HE3 MET 2 HE3 MET 2 1.091 16.959 12.783 21 H SER 3 H SER 3 3.824 10.481 12.577 22 HA SER 3 HA SER 3 6.323 11.706 12.497 23 HB2 SER 3 HB2 SER 3 6.960 9.196 11.740 24 HB3 SER 3 HB1 SER 3 6.549 9.626 13.400 25 HG SER 3 HG SER 3 5.255 7.991 11.700 26 H LEU 4 H LEU 4 4.297 10.526 9.907 27 HA LEU 4 HA LEU 4 6.311 11.485 7.983 28 HB2 LEU 4 HB2 LEU 4 4.642 9.569 6.684 29 HB3 LEU 4 HB1 LEU 4 6.386 9.514 6.956 30 HG LEU 4 HG LEU 4 5.646 8.639 9.352 31 HD11 LEU 4 1HD1 LEU 4 3.691 7.100 9.044 32 HD12 LEU 4 2HD1 LEU 4 3.324 7.976 7.558 33 HD13 LEU 4 3HD1 LEU 4 3.292 8.817 9.107 34 HD21 LEU 4 3HD2 LEU 4 6.983 7.132 8.361 35 HD22 LEU 4 1HD2 LEU 4 6.214 7.331 6.786 36 HD23 LEU 4 2HD2 LEU 4 5.472 6.298 8.006 37 H VAL 5 H VAL 5 3.094 10.177 7.487 38 HA VAL 5 HA VAL 5 2.042 12.802 6.781 39 HB VAL 5 HB VAL 5 2.583 10.538 4.935 40 HG11 VAL 5 1HG1 VAL 5 0.336 10.432 4.713 41 HG12 VAL 5 2HG1 VAL 5 0.789 11.534 3.409 42 HG13 VAL 5 3HG1 VAL 5 0.087 12.169 4.906 43 HG21 VAL 5 3HG2 VAL 5 2.300 13.293 3.946 44 HG22 VAL 5 1HG2 VAL 5 3.528 12.068 3.613 45 HG23 VAL 5 2HG2 VAL 5 3.605 13.017 5.103 46 H SER 6 H SER 6 -0.102 12.974 7.218 47 HA SER 6 HA SER 6 -1.462 10.608 8.267 48 HB2 SER 6 HB2 SER 6 -3.067 12.148 9.226 49 HB3 SER 6 HB1 SER 6 -1.446 12.733 9.598 50 HG SER 6 HG SER 6 -1.710 14.104 7.689 51 H ASP 7 H ASP 7 -3.662 10.112 7.560 52 HA ASP 7 HA ASP 7 -4.036 9.803 4.873 53 HB2 ASP 7 HB2 ASP 7 -5.480 8.992 6.892 54 HB3 ASP 7 HB1 ASP 7 -6.422 10.445 6.579 55 H GLU 8 H GLU 8 -4.396 12.713 6.687 56 HA GLU 8 HA GLU 8 -6.127 14.251 5.203 57 HB2 GLU 8 HB2 GLU 8 -3.559 15.042 6.581 58 HB3 GLU 8 HB1 GLU 8 -4.780 16.185 6.023 59 HG2 GLU 8 HG2 GLU 8 -5.824 14.063 7.744 60 HG3 GLU 8 HG1 GLU 8 -4.648 15.120 8.523 61 H GLU 9 H GLU 9 -2.575 14.167 4.817 62 HA GLU 9 HA GLU 9 -2.440 15.793 2.569 63 HB2 GLU 9 HB2 GLU 9 -0.483 15.133 3.902 64 HB3 GLU 9 HB1 GLU 9 -0.624 13.489 3.296 65 HG2 GLU 9 HG2 GLU 9 -0.481 15.489 1.183 66 HG3 GLU 9 HG1 GLU 9 0.938 15.465 2.230 67 H TRP 10 H TRP 10 -3.302 12.429 2.840 68 HA TRP 10 HA TRP 10 -3.018 11.935 0.015 69 HB2 TRP 10 HB2 TRP 10 -2.585 10.138 1.600 70 HB3 TRP 10 HB1 TRP 10 -4.259 10.188 2.139 71 HD1 TRP 10 HD TRP 10 -6.121 9.566 0.150 72 HE1 TRP 10 HE1 TRP 10 -5.939 7.830 -1.735 73 HE3 TRP 10 HE3 TRP 10 -1.049 8.941 0.108 74 HZ2 TRP 10 HZ2 TRP 10 -3.912 6.375 -3.060 75 HZ3 TRP 10 HZ3 TRP 10 -0.070 7.356 -1.494 76 HH2 TRP 10 HH TRP 10 -1.472 6.100 -3.044 77 H VAL 11 H VAL 11 -5.632 13.064 2.024 78 HA VAL 11 HA VAL 11 -7.699 12.106 0.345 79 HB VAL 11 HB VAL 11 -8.335 12.700 2.591 80 HG11 VAL 11 1HG1 VAL 11 -8.401 15.368 2.918 81 HG12 VAL 11 2HG1 VAL 11 -6.925 15.212 1.972 82 HG13 VAL 11 3HG1 VAL 11 -7.089 14.346 3.497 83 HG21 VAL 11 3HG2 VAL 11 -9.979 14.713 1.854 84 HG22 VAL 11 1HG2 VAL 11 -10.245 13.017 1.440 85 HG23 VAL 11 2HG2 VAL 11 -9.476 14.100 0.274 86 H GLU 12 H GLU 12 -5.749 14.986 0.547 87 HA GLU 12 HA GLU 12 -7.138 16.523 -1.256 88 HB2 GLU 12 HB2 GLU 12 -4.699 16.720 0.084 89 HB3 GLU 12 HB1 GLU 12 -4.272 16.803 -1.618 90 HG2 GLU 12 HG2 GLU 12 -5.115 18.855 -1.852 91 HG3 GLU 12 HG1 GLU 12 -6.550 18.479 -0.898 92 H TYR 13 H TYR 13 -5.103 13.817 -1.576 93 HA TYR 13 HA TYR 13 -4.656 13.927 -4.405 94 HB2 TYR 13 HB2 TYR 13 -3.883 12.239 -2.147 95 HB3 TYR 13 HB1 TYR 13 -4.191 11.319 -3.619 96 HD1 TYR 13 HD2 TYR 13 -3.183 12.832 -5.778 97 HD2 TYR 13 HD1 TYR 13 -1.633 12.577 -1.824 98 HE1 TYR 13 HE2 TYR 13 -0.952 13.431 -6.622 99 HE2 TYR 13 HE1 TYR 13 0.603 13.175 -2.656 100 HH TYR 13 HH TYR 13 1.651 12.887 -5.486 101 H LYS 14 H LYS 14 -6.862 12.218 -2.247 102 HA LYS 14 HA LYS 14 -7.963 10.350 -3.920 103 HB2 LYS 14 HB2 LYS 14 -9.397 12.008 -1.841 104 HB3 LYS 14 HB1 LYS 14 -10.011 10.521 -2.545 105 HG2 LYS 14 HG2 LYS 14 -8.302 9.229 -1.526 106 HG3 LYS 14 HG1 LYS 14 -7.421 10.676 -1.030 107 HD2 LYS 14 HD2 LYS 14 -9.484 11.279 0.332 108 HD3 LYS 14 HD1 LYS 14 -10.039 9.634 0.031 109 HE2 LYS 14 HE2 LYS 14 -7.995 8.761 1.061 110 HE3 LYS 14 HE1 LYS 14 -7.451 10.409 1.370 111 HZ1 LYS 14 HZ1 LYS 14 -10.068 9.984 2.400 112 HZ2 LYS 14 HZ2 LYS 14 -8.671 10.492 3.206 113 HZ3 LYS 14 HZ3 LYS 14 -8.988 8.842 3.026 114 H SER 15 H SER 15 -8.477 13.797 -3.995 115 HA SER 15 HA SER 15 -10.827 13.727 -5.608 116 HB2 SER 15 HB2 SER 15 -8.843 15.987 -5.344 117 HB3 SER 15 HB1 SER 15 -10.548 16.104 -5.785 118 HG SER 15 HG SER 15 -9.472 15.369 -3.262 119 H LYS 16 H LYS 16 -7.383 14.098 -6.028 120 HA LYS 16 HA LYS 16 -7.562 14.418 -8.828 121 HB2 LYS 16 HB2 LYS 16 -5.058 13.708 -7.337 122 HB3 LYS 16 HB1 LYS 16 -5.205 14.604 -8.842 123 HG2 LYS 16 HG2 LYS 16 -6.011 15.551 -6.101 124 HG3 LYS 16 HG1 LYS 16 -4.631 16.104 -7.050 125 HD2 LYS 16 HD2 LYS 16 -6.061 17.094 -8.687 126 HD3 LYS 16 HD1 LYS 16 -7.491 16.353 -7.966 127 HE2 LYS 16 HE2 LYS 16 -7.533 17.824 -6.201 128 HE3 LYS 16 HE1 LYS 16 -5.801 18.144 -6.290 129 HZ1 LYS 16 HZ1 LYS 16 -7.377 18.986 -8.583 130 HZ2 LYS 16 HZ2 LYS 16 -6.089 19.762 -7.811 131 HZ3 LYS 16 HZ3 LYS 16 -7.643 19.846 -7.150 132 H PHE 17 H PHE 17 -7.834 11.752 -6.863 133 HA PHE 17 HA PHE 17 -6.896 9.964 -9.018 134 HB2 PHE 17 HB2 PHE 17 -6.794 9.685 -6.035 135 HB3 PHE 17 HB1 PHE 17 -6.825 8.249 -7.054 136 HD1 PHE 17 HD1 PHE 17 -5.169 8.966 -9.309 137 HD2 PHE 17 HD2 PHE 17 -4.664 9.886 -5.184 138 HE1 PHE 17 HE1 PHE 17 -2.740 9.157 -9.653 139 HE2 PHE 17 HE2 PHE 17 -2.234 10.079 -5.520 140 HZ PHE 17 HZ PHE 17 -1.270 9.715 -7.757 141 H ASP 18 H ASP 18 -9.595 10.933 -7.123 142 HA ASP 18 HA ASP 18 -11.799 10.364 -7.246 143 HB2 ASP 18 HB2 ASP 18 -11.187 10.030 -9.724 144 HB3 ASP 18 HB1 ASP 18 -11.146 8.310 -9.348 145 H LYS 19 H LYS 19 -9.470 8.578 -6.007 146 HA LYS 19 HA LYS 19 -11.268 6.395 -5.182 147 HB2 LYS 19 HB2 LYS 19 -9.431 5.483 -6.468 148 HB3 LYS 19 HB1 LYS 19 -8.262 6.385 -5.514 149 HG2 LYS 19 HG2 LYS 19 -9.103 5.058 -3.515 150 HG3 LYS 19 HG1 LYS 19 -9.909 4.018 -4.690 151 HD2 LYS 19 HD2 LYS 19 -7.736 3.104 -4.068 152 HD3 LYS 19 HD1 LYS 19 -7.757 3.570 -5.770 153 HE2 LYS 19 HE2 LYS 19 -6.495 5.532 -5.339 154 HE3 LYS 19 HE1 LYS 19 -6.708 5.367 -3.596 155 HZ1 LYS 19 HZ1 LYS 19 -4.501 4.681 -4.279 156 HZ2 LYS 19 HZ2 LYS 19 -5.151 3.527 -5.333 157 HZ3 LYS 19 HZ3 LYS 19 -5.359 3.360 -3.663 158 H ASN 20 H ASN 20 -12.072 7.626 -3.451 159 HA ASN 20 HA ASN 20 -10.134 8.471 -1.429 160 HB2 ASN 20 HB2 ASN 20 -11.927 9.815 -0.492 161 HB3 ASN 20 HB1 ASN 20 -11.790 10.127 -2.219 162 HD21 ASN 20 1HD2 ASN 20 -13.537 9.916 -3.443 163 HD22 ASN 20 2HD2 ASN 20 -15.037 9.227 -2.934 164 H TYR 21 H TYR 21 -10.067 7.715 0.596 165 HA TYR 21 HA TYR 21 -12.109 5.837 1.523 166 HB2 TYR 21 HB2 TYR 21 -9.812 4.725 2.559 167 HB3 TYR 21 HB1 TYR 21 -10.710 4.090 1.180 168 HD1 TYR 21 HD2 TYR 21 -8.140 6.619 2.004 169 HD2 TYR 21 HD1 TYR 21 -9.499 3.691 -0.761 170 HE1 TYR 21 HE2 TYR 21 -6.157 6.980 0.644 171 HE2 TYR 21 HE1 TYR 21 -7.481 4.035 -2.127 172 HH TYR 21 HH TYR 21 -4.997 4.943 -1.504 173 H GLU 22 H GLU 22 -12.865 6.688 3.238 174 HA GLU 22 HA GLU 22 -11.680 8.741 4.747 175 HB2 GLU 22 HB2 GLU 22 -14.225 7.654 4.408 176 HB3 GLU 22 HB1 GLU 22 -13.868 7.450 6.117 177 HG2 GLU 22 HG2 GLU 22 -14.783 9.519 6.176 178 HG3 GLU 22 HG1 GLU 22 -13.101 9.964 5.896 179 H ALA 23 H ALA 23 -12.010 8.624 7.212 180 HA ALA 23 HA ALA 23 -9.880 7.528 8.414 181 HB1 ALA 23 HB1 ALA 23 -12.554 7.895 9.733 182 HB2 ALA 23 HB2 ALA 23 -11.380 9.174 9.422 183 HB3 ALA 23 HB3 ALA 23 -10.981 7.862 10.531 184 H GLU 24 H GLU 24 -13.004 5.847 8.023 185 HA GLU 24 HA GLU 24 -12.576 3.713 9.727 186 HB2 GLU 24 HB2 GLU 24 -14.066 3.989 7.144 187 HB3 GLU 24 HB1 GLU 24 -13.915 2.403 7.887 188 HG2 GLU 24 HG2 GLU 24 -15.096 3.075 9.807 189 HG3 GLU 24 HG1 GLU 24 -14.963 4.781 9.385 190 H GLU 25 H GLU 25 -11.775 3.814 6.257 191 HA GLU 25 HA GLU 25 -10.218 1.403 6.384 192 HB2 GLU 25 HB2 GLU 25 -11.093 3.296 4.325 193 HB3 GLU 25 HB1 GLU 25 -9.473 2.670 4.054 194 HG2 GLU 25 HG2 GLU 25 -10.258 0.426 4.034 195 HG3 GLU 25 HG1 GLU 25 -11.861 0.923 4.572 196 H ASP 26 H ASP 26 -9.666 4.764 6.864 197 HA ASP 26 HA ASP 26 -6.996 5.055 6.233 198 HB2 ASP 26 HB2 ASP 26 -8.629 6.405 8.362 199 HB3 ASP 26 HB1 ASP 26 -7.013 6.917 7.899 200 H LEU 27 H LEU 27 -8.395 3.788 9.256 201 HA LEU 27 HA LEU 27 -6.268 3.944 10.961 202 HB2 LEU 27 HB2 LEU 27 -8.693 2.785 11.059 203 HB3 LEU 27 HB1 LEU 27 -7.690 1.349 10.952 204 HG LEU 27 HG LEU 27 -6.675 3.223 12.908 205 HD11 LEU 27 1HD1 LEU 27 -9.344 3.410 12.844 206 HD12 LEU 27 2HD1 LEU 27 -8.406 3.509 14.335 207 HD13 LEU 27 3HD1 LEU 27 -9.175 1.990 13.877 208 HD21 LEU 27 3HD2 LEU 27 -6.283 0.676 12.498 209 HD22 LEU 27 1HD2 LEU 27 -7.712 0.494 13.516 210 HD23 LEU 27 2HD2 LEU 27 -6.283 1.319 14.139 211 H MET 28 H MET 28 -6.909 1.171 8.812 212 HA MET 28 HA MET 28 -4.374 -0.041 9.352 213 HB2 MET 28 HB2 MET 28 -4.920 -1.491 7.397 214 HB3 MET 28 HB1 MET 28 -6.200 -1.446 8.600 215 HG2 MET 28 HG2 MET 28 -6.498 0.573 6.521 216 HG3 MET 28 HG1 MET 28 -6.510 -1.079 5.907 217 HE1 MET 28 HE1 MET 28 -10.191 -1.423 5.972 218 HE2 MET 28 HE2 MET 28 -8.704 -2.315 5.645 219 HE3 MET 28 HE3 MET 28 -8.920 -0.691 4.992 220 H ARG 29 H ARG 29 -5.621 2.353 7.284 221 HA ARG 29 HA ARG 29 -3.702 2.410 5.246 222 HB2 ARG 29 HB2 ARG 29 -6.025 3.591 5.832 223 HB3 ARG 29 HB1 ARG 29 -4.926 4.948 5.974 224 HG2 ARG 29 HG2 ARG 29 -4.218 4.622 3.658 225 HG3 ARG 29 HG1 ARG 29 -5.181 3.147 3.590 226 HD2 ARG 29 HD2 ARG 29 -6.822 5.340 4.455 227 HD3 ARG 29 HD1 ARG 29 -6.053 5.692 2.912 228 HE ARG 29 HE ARG 29 -8.167 3.897 3.328 229 HH11 ARG 29 1HH1 ARG 29 -5.214 4.278 1.542 230 HH12 ARG 29 2HH1 ARG 29 -5.618 3.089 0.355 231 HH21 ARG 29 1HH2 ARG 29 -8.686 2.265 1.817 232 HH22 ARG 29 2HH2 ARG 29 -7.590 1.930 0.519 233 H ARG 30 H ARG 30 -3.927 4.036 8.382 234 HA ARG 30 HA ARG 30 -1.857 5.874 8.132 235 HB2 ARG 30 HB2 ARG 30 -2.247 4.190 10.617 236 HB3 ARG 30 HB1 ARG 30 -1.645 5.835 10.515 237 HG2 ARG 30 HG2 ARG 30 -4.471 4.973 9.937 238 HG3 ARG 30 HG1 ARG 30 -3.907 5.731 11.424 239 HD2 ARG 30 HD2 ARG 30 -4.737 7.541 10.281 240 HD3 ARG 30 HD1 ARG 30 -3.038 7.585 9.821 241 HE ARG 30 HE ARG 30 -5.177 6.478 8.123 242 HH11 ARG 30 1HH1 ARG 30 -2.138 8.167 8.497 243 HH12 ARG 30 2HH1 ARG 30 -1.955 8.454 6.803 244 HH21 ARG 30 1HH2 ARG 30 -4.935 6.861 5.907 245 HH22 ARG 30 2HH2 ARG 30 -3.544 7.710 5.329 246 H ARG 31 H ARG 31 -1.862 2.436 8.805 247 HA ARG 31 HA ARG 31 0.942 2.155 9.192 248 HB2 ARG 31 HB2 ARG 31 -1.071 0.031 8.447 249 HB3 ARG 31 HB1 ARG 31 0.519 -0.229 9.152 250 HG2 ARG 31 HG2 ARG 31 -1.621 1.349 10.545 251 HG3 ARG 31 HG1 ARG 31 -1.461 -0.401 10.713 252 HD2 ARG 31 HD2 ARG 31 -0.192 0.259 12.487 253 HD3 ARG 31 HD1 ARG 31 1.050 0.245 11.236 254 HE ARG 31 HE ARG 31 0.109 2.776 11.140 255 HH11 ARG 31 1HH1 ARG 31 1.283 0.769 13.741 256 HH12 ARG 31 2HH1 ARG 31 1.893 2.102 14.662 257 HH21 ARG 31 1HH2 ARG 31 0.912 4.532 12.348 258 HH22 ARG 31 2HH2 ARG 31 1.682 4.239 13.872 259 H ILE 32 H ILE 32 -1.199 1.821 6.330 260 HA ILE 32 HA ILE 32 0.966 0.768 4.719 261 HB ILE 32 HB ILE 32 -0.983 -0.013 3.856 262 HG12 ILE 32 2HG1 ILE 32 -1.435 1.042 1.772 263 HG13 ILE 32 1HG1 ILE 32 -0.764 2.551 2.369 264 HG21 ILE 32 1HG2 ILE 32 -2.485 1.160 5.277 265 HG22 ILE 32 2HG2 ILE 32 -3.034 1.181 3.607 266 HG23 ILE 32 3HG2 ILE 32 -2.278 2.617 4.303 267 HD11 ILE 32 3HD1 ILE 32 1.187 1.921 1.586 268 HD12 ILE 32 1HD1 ILE 32 0.449 0.407 1.113 269 HD13 ILE 32 2HD1 ILE 32 1.172 0.563 2.701 270 H TYR 33 H TYR 33 -0.521 3.757 5.403 271 HA TYR 33 HA TYR 33 0.738 5.194 3.394 272 HB2 TYR 33 HB2 TYR 33 -1.287 5.842 4.939 273 HB3 TYR 33 HB1 TYR 33 -0.011 6.594 5.896 274 HD1 TYR 33 HD2 TYR 33 1.337 6.745 2.798 275 HD2 TYR 33 HD1 TYR 33 -1.927 8.416 4.962 276 HE1 TYR 33 HE2 TYR 33 1.317 8.685 1.289 277 HE2 TYR 33 HE1 TYR 33 -1.943 10.356 3.460 278 HH TYR 33 HH TYR 33 0.595 10.991 1.262 279 H ALA 34 H ALA 34 1.735 4.287 6.600 280 HA ALA 34 HA ALA 34 3.765 6.118 7.015 281 HB1 ALA 34 HB1 ALA 34 3.155 3.428 8.039 282 HB2 ALA 34 HB2 ALA 34 3.477 4.926 8.912 283 HB3 ALA 34 HB3 ALA 34 4.814 3.987 8.246 284 H GLU 35 H GLU 35 3.987 2.967 5.479 285 HA GLU 35 HA GLU 35 6.710 2.996 4.880 286 HB2 GLU 35 HB2 GLU 35 6.001 1.492 2.943 287 HB3 GLU 35 HB1 GLU 35 5.568 0.968 4.569 288 HG2 GLU 35 HG2 GLU 35 3.434 2.554 3.783 289 HG3 GLU 35 HG1 GLU 35 3.879 1.636 2.325 290 H SER 36 H SER 36 4.015 4.580 3.291 291 HA SER 36 HA SER 36 4.981 5.049 0.773 292 HB2 SER 36 HB2 SER 36 3.255 6.500 0.569 293 HB3 SER 36 HB1 SER 36 2.819 5.912 2.171 294 HG SER 36 HG SER 36 3.688 7.711 3.076 295 H LYS 37 H LYS 37 5.536 7.209 3.588 296 HA LYS 37 HA LYS 37 7.268 8.961 2.256 297 HB2 LYS 37 HB2 LYS 37 6.851 8.203 5.071 298 HB3 LYS 37 HB1 LYS 37 8.294 9.115 4.693 299 HG2 LYS 37 HG2 LYS 37 6.515 10.605 5.388 300 HG3 LYS 37 HG1 LYS 37 6.915 10.872 3.691 301 HD2 LYS 37 HD2 LYS 37 4.776 8.909 4.227 302 HD3 LYS 37 HD1 LYS 37 4.402 10.590 4.605 303 HE2 LYS 37 HE2 LYS 37 5.231 11.164 2.287 304 HE3 LYS 37 HE1 LYS 37 5.251 9.433 1.962 305 HZ1 LYS 37 HZ1 LYS 37 3.085 9.468 1.580 306 HZ2 LYS 37 HZ2 LYS 37 3.102 11.153 1.724 307 HZ3 LYS 37 HZ3 LYS 37 2.760 10.192 3.072 308 H ALA 38 H ALA 38 7.846 5.877 3.883 309 HA ALA 38 HA ALA 38 10.626 5.802 3.819 310 HB1 ALA 38 HB1 ALA 38 10.432 3.603 4.346 311 HB2 ALA 38 HB2 ALA 38 9.253 3.305 3.067 312 HB3 ALA 38 HB3 ALA 38 8.739 4.037 4.586 313 H ARG 39 H ARG 39 8.217 5.166 1.448 314 HA ARG 39 HA ARG 39 9.951 4.423 -0.680 315 HB2 ARG 39 HB2 ARG 39 7.192 5.545 -0.931 316 HB3 ARG 39 HB1 ARG 39 7.989 4.385 -1.991 317 HG2 ARG 39 HG2 ARG 39 7.809 3.426 0.743 318 HG3 ARG 39 HG1 ARG 39 6.219 3.796 0.053 319 HD2 ARG 39 HD2 ARG 39 6.553 1.573 -0.554 320 HD3 ARG 39 HD1 ARG 39 7.036 2.463 -1.997 321 HE ARG 39 HE ARG 39 9.193 1.745 -1.686 322 HH11 ARG 39 1HH1 ARG 39 7.343 1.096 1.201 323 HH12 ARG 39 2HH1 ARG 39 8.586 0.138 1.932 324 HH21 ARG 39 1HH2 ARG 39 10.829 0.482 -0.726 325 HH22 ARG 39 2HH2 ARG 39 10.565 -0.210 0.839 326 H ILE 40 H ILE 40 8.558 7.395 0.576 327 HA ILE 40 HA ILE 40 9.212 8.973 -1.703 328 HB ILE 40 HB ILE 40 8.644 9.731 1.155 329 HG12 ILE 40 2HG1 ILE 40 6.547 9.252 0.529 330 HG13 ILE 40 1HG1 ILE 40 6.626 10.601 -0.590 331 HG21 ILE 40 1HG2 ILE 40 8.588 11.624 -1.179 332 HG22 ILE 40 2HG2 ILE 40 10.035 11.410 -0.194 333 HG23 ILE 40 3HG2 ILE 40 8.544 11.996 0.543 334 HD11 ILE 40 3HD1 ILE 40 5.893 8.260 -1.427 335 HD12 ILE 40 1HD1 ILE 40 7.624 7.882 -1.438 336 HD13 ILE 40 2HD1 ILE 40 6.989 9.222 -2.412 337 H GLU 41 H GLU 41 10.812 7.900 1.104 338 HA GLU 41 HA GLU 41 13.186 9.500 0.855 339 HB2 GLU 41 HB2 GLU 41 12.502 8.432 2.996 340 HB3 GLU 41 HB1 GLU 41 12.772 6.853 2.271 341 HG2 GLU 41 HG2 GLU 41 14.663 7.354 3.601 342 HG3 GLU 41 HG1 GLU 41 15.153 7.516 1.916 343 H GLU 42 H GLU 42 11.875 6.674 -0.509 344 HA GLU 42 HA GLU 42 13.888 5.032 -1.311 345 HB2 GLU 42 HB2 GLU 42 11.439 4.697 -1.607 346 HB3 GLU 42 HB1 GLU 42 11.446 5.951 -2.812 347 HG2 GLU 42 HG2 GLU 42 11.871 4.575 -4.418 348 HG3 GLU 42 HG1 GLU 42 13.341 4.002 -3.605 349 H HIS 43 H HIS 43 12.382 7.319 -3.588 350 HA HIS 43 HA HIS 43 14.598 7.075 -5.396 351 HB2 HIS 43 HB2 HIS 43 12.032 8.619 -5.464 352 HB3 HIS 43 HB1 HIS 43 13.206 8.668 -6.773 353 HD1 HIS 43 HD1 HIS 43 13.699 5.416 -6.132 354 HD2 HIS 43 HD2 HIS 43 10.266 7.391 -7.382 355 HE1 HIS 43 HE1 HIS 43 12.278 3.661 -7.237 356 HE2 HIS 43 HE2 HIS 43 10.160 4.859 -7.887 357 H ASN 44 H ASN 44 13.447 9.425 -3.120 358 HA ASN 44 HA ASN 44 14.848 11.630 -4.113 359 HB2 ASN 44 HB2 ASN 44 13.308 10.973 -1.754 360 HB3 ASN 44 HB1 ASN 44 14.644 12.070 -1.397 361 HD21 ASN 44 1HD2 ASN 44 14.643 14.102 -2.216 362 HD22 ASN 44 2HD2 ASN 44 13.282 14.806 -3.020 363 H ARG 45 H ARG 45 15.838 8.963 -2.142 364 HA ARG 45 HA ARG 45 18.363 10.213 -1.428 365 HB2 ARG 45 HB2 ARG 45 16.935 7.700 -0.726 366 HB3 ARG 45 HB1 ARG 45 18.688 7.715 -0.570 367 HG2 ARG 45 HG2 ARG 45 16.892 9.763 0.707 368 HG3 ARG 45 HG1 ARG 45 17.417 8.282 1.512 369 HD2 ARG 45 HD2 ARG 45 19.704 9.549 0.391 370 HD3 ARG 45 HD1 ARG 45 18.786 10.760 1.284 371 HE ARG 45 HE ARG 45 20.222 8.515 2.372 372 HH11 ARG 45 1HH1 ARG 45 17.669 10.832 2.924 373 HH12 ARG 45 2HH1 ARG 45 17.754 10.700 4.649 374 HH21 ARG 45 1HH2 ARG 45 20.332 8.341 4.639 375 HH22 ARG 45 2HH2 ARG 45 19.266 9.286 5.622 376 H LYS 46 H LYS 46 17.060 8.296 -3.898 377 HA LYS 46 HA LYS 46 19.271 6.740 -4.694 378 HB2 LYS 46 HB2 LYS 46 16.599 7.298 -5.422 379 HB3 LYS 46 HB1 LYS 46 17.575 7.318 -6.869 380 HG2 LYS 46 HG2 LYS 46 18.132 5.098 -6.720 381 HG3 LYS 46 HG1 LYS 46 17.908 5.059 -4.969 382 HD2 LYS 46 HD2 LYS 46 15.577 4.938 -5.156 383 HD3 LYS 46 HD1 LYS 46 15.594 5.492 -6.831 384 HE2 LYS 46 HE2 LYS 46 15.669 3.395 -7.550 385 HE3 LYS 46 HE1 LYS 46 17.150 3.110 -6.637 386 HZ1 LYS 46 HZ1 LYS 46 14.655 3.082 -5.131 387 HZ2 LYS 46 HZ2 LYS 46 16.034 2.118 -4.960 388 HZ3 LYS 46 HZ3 LYS 46 14.916 1.784 -6.185 389 H PHE 47 H PHE 47 17.973 9.679 -6.333 390 HA PHE 47 HA PHE 47 20.238 9.933 -8.048 391 HB2 PHE 47 HB2 PHE 47 19.432 12.192 -8.528 392 HB3 PHE 47 HB1 PHE 47 18.120 11.030 -8.680 393 HD1 PHE 47 HD1 PHE 47 19.462 13.813 -6.708 394 HD2 PHE 47 HD2 PHE 47 16.294 11.041 -7.210 395 HE1 PHE 47 HE1 PHE 47 18.055 15.170 -5.209 396 HE2 PHE 47 HE2 PHE 47 14.862 12.390 -5.724 397 HZ PHE 47 HZ PHE 47 15.747 14.456 -4.715 398 H GLU 48 H GLU 48 19.110 10.904 -5.039 399 HA GLU 48 HA GLU 48 20.883 12.792 -4.180 400 HB2 GLU 48 HB2 GLU 48 18.897 11.011 -3.190 401 HB3 GLU 48 HB1 GLU 48 20.314 10.881 -2.123 402 HG2 GLU 48 HG2 GLU 48 20.266 13.444 -2.041 403 HG3 GLU 48 HG1 GLU 48 18.642 13.300 -2.712 404 H LYS 49 H LYS 49 21.357 9.606 -5.189 405 HA LYS 49 HA LYS 49 23.884 9.242 -3.793 406 HB2 LYS 49 HB2 LYS 49 21.883 7.482 -4.160 407 HB3 LYS 49 HB1 LYS 49 22.869 7.135 -5.574 408 HG2 LYS 49 HG2 LYS 49 24.825 6.962 -3.929 409 HG3 LYS 49 HG1 LYS 49 23.582 6.870 -2.678 410 HD2 LYS 49 HD2 LYS 49 22.661 5.060 -4.489 411 HD3 LYS 49 HD1 LYS 49 24.407 4.882 -4.676 412 HE2 LYS 49 HE2 LYS 49 24.196 4.936 -1.981 413 HE3 LYS 49 HE1 LYS 49 22.659 4.187 -2.410 414 HZ1 LYS 49 HZ1 LYS 49 23.850 2.509 -3.658 415 HZ2 LYS 49 HZ2 LYS 49 24.405 2.544 -2.060 416 HZ3 LYS 49 HZ3 LYS 49 25.332 3.240 -3.293 417 H GLY 50 H GLY 50 23.220 11.024 -6.243 418 HA2 GLY 50 HA2 GLY 50 24.208 11.537 -8.280 419 HA3 GLY 50 HA1 GLY 50 25.667 10.832 -7.577 420 H GLU 51 H GLU 51 22.698 9.176 -7.917 421 HA GLU 51 HA GLU 51 23.911 7.076 -9.474 422 HB2 GLU 51 HB2 GLU 51 22.021 7.349 -7.374 423 HB3 GLU 51 HB1 GLU 51 21.150 6.668 -8.765 424 HG2 GLU 51 HG2 GLU 51 22.882 4.901 -8.936 425 HG3 GLU 51 HG1 GLU 51 23.625 5.544 -7.472 426 H VAL 52 H VAL 52 20.809 8.807 -9.593 427 HA VAL 52 HA VAL 52 20.879 9.177 -12.446 428 HB VAL 52 HB VAL 52 19.479 7.510 -13.041 429 HG11 VAL 52 1HG1 VAL 52 19.463 6.694 -10.165 430 HG12 VAL 52 2HG1 VAL 52 20.656 6.183 -11.363 431 HG13 VAL 52 3HG1 VAL 52 18.972 5.672 -11.517 432 HG21 VAL 52 3HG2 VAL 52 17.260 7.180 -11.779 433 HG22 VAL 52 1HG2 VAL 52 17.517 8.662 -12.692 434 HG23 VAL 52 2HG2 VAL 52 17.706 8.667 -10.932 435 H THR 53 H THR 53 18.569 10.236 -12.929 436 HA THR 53 HA THR 53 17.967 11.715 -10.467 437 HB THR 53 HB THR 53 18.928 12.999 -12.325 438 HG1 THR 53 HG1 THR 53 17.760 14.238 -10.987 439 HG21 THR 53 3HG2 THR 53 18.081 13.144 -14.387 440 HG22 THR 53 1HG2 THR 53 16.416 13.183 -13.809 441 HG23 THR 53 2HG2 THR 53 17.252 11.640 -13.986 442 H TRP 54 H TRP 54 16.586 10.352 -9.671 443 HA TRP 54 HA TRP 54 13.947 10.176 -10.924 444 HB2 TRP 54 HB2 TRP 54 13.777 7.807 -9.904 445 HB3 TRP 54 HB1 TRP 54 14.636 8.007 -11.423 446 HD1 TRP 54 HD TRP 54 16.858 9.133 -8.687 447 HE1 TRP 54 HE1 TRP 54 18.589 7.313 -8.135 448 HE3 TRP 54 HE3 TRP 54 14.683 5.204 -11.127 449 HZ2 TRP 54 HZ2 TRP 54 18.950 4.554 -8.633 450 HZ3 TRP 54 HZ3 TRP 54 15.778 3.003 -11.029 451 HH2 TRP 54 HH TRP 54 17.869 2.686 -9.807 452 H LYS 55 H LYS 55 12.375 10.777 -9.591 453 HA LYS 55 HA LYS 55 12.957 10.843 -6.712 454 HB2 LYS 55 HB2 LYS 55 10.703 12.408 -7.013 455 HB3 LYS 55 HB1 LYS 55 12.356 12.969 -6.730 456 HG2 LYS 55 HG2 LYS 55 12.658 12.861 -9.237 457 HG3 LYS 55 HG1 LYS 55 10.898 12.785 -9.334 458 HD2 LYS 55 HD2 LYS 55 11.606 15.085 -9.566 459 HD3 LYS 55 HD1 LYS 55 10.786 14.885 -8.018 460 HE2 LYS 55 HE2 LYS 55 13.674 14.433 -7.902 461 HE3 LYS 55 HE1 LYS 55 13.225 16.070 -8.379 462 HZ1 LYS 55 HZ1 LYS 55 13.482 15.518 -5.895 463 HZ2 LYS 55 HZ2 LYS 55 11.954 14.806 -6.041 464 HZ3 LYS 55 HZ3 LYS 55 12.157 16.450 -6.385 465 H MET 56 H MET 56 11.294 10.584 -5.295 466 HA MET 56 HA MET 56 9.831 8.196 -5.630 467 HB2 MET 56 HB2 MET 56 8.523 9.451 -3.628 468 HB3 MET 56 HB1 MET 56 10.035 8.586 -3.394 469 HG2 MET 56 HG2 MET 56 9.983 10.772 -2.297 470 HG3 MET 56 HG1 MET 56 11.242 10.681 -3.523 471 HE1 MET 56 HE1 MET 56 9.766 14.328 -3.184 472 HE2 MET 56 HE2 MET 56 10.276 13.047 -2.085 473 HE3 MET 56 HE3 MET 56 8.560 13.372 -2.324 474 H GLY 57 H GLY 57 7.279 8.288 -5.105 475 HA2 GLY 57 HA2 GLY 57 5.951 10.575 -6.257 476 HA3 GLY 57 HA1 GLY 57 5.850 9.107 -7.219 477 H ILE 58 H ILE 58 6.036 8.267 -3.972 478 HA ILE 58 HA ILE 58 4.517 7.480 -2.460 479 HB ILE 58 HB ILE 58 2.766 9.457 -3.851 480 HG12 ILE 58 2HG1 ILE 58 4.952 10.165 -2.563 481 HG13 ILE 58 1HG1 ILE 58 3.477 11.110 -2.399 482 HG21 ILE 58 1HG2 ILE 58 1.147 8.325 -2.747 483 HG22 ILE 58 2HG2 ILE 58 1.688 9.312 -1.388 484 HG23 ILE 58 3HG2 ILE 58 2.276 7.659 -1.565 485 HD11 ILE 58 3HD1 ILE 58 4.656 10.713 -0.264 486 HD12 ILE 58 1HD1 ILE 58 4.357 8.984 -0.453 487 HD13 ILE 58 2HD1 ILE 58 3.003 10.101 -0.276 488 H ASN 59 H ASN 59 4.215 5.398 -3.176 489 HA ASN 59 HA ASN 59 2.895 4.932 -5.571 490 HB2 ASN 59 HB2 ASN 59 3.433 3.015 -3.290 491 HB3 ASN 59 HB1 ASN 59 2.853 2.522 -4.879 492 HD21 ASN 59 1HD2 ASN 59 4.891 1.224 -4.616 493 HD22 ASN 59 2HD2 ASN 59 6.347 1.928 -5.220 494 H HIS 60 H HIS 60 0.833 3.976 -5.982 495 HA HIS 60 HA HIS 60 -1.311 5.201 -4.758 496 HB2 HIS 60 HB2 HIS 60 -1.225 2.616 -6.316 497 HB3 HIS 60 HB1 HIS 60 -2.713 3.448 -5.878 498 HD1 HIS 60 HD1 HIS 60 -0.406 3.161 -8.577 499 HD2 HIS 60 HD2 HIS 60 -2.634 6.272 -6.956 500 HE1 HIS 60 HE1 HIS 60 -0.512 4.918 -10.372 501 HE2 HIS 60 HE2 HIS 60 -1.936 6.755 -9.399 502 H LEU 61 H LEU 61 -0.297 1.785 -4.276 503 HA LEU 61 HA LEU 61 -2.234 1.442 -2.249 504 HB2 LEU 61 HB2 LEU 61 -1.347 -0.631 -1.733 505 HB3 LEU 61 HB1 LEU 61 -1.203 -0.473 -3.473 506 HG LEU 61 HG LEU 61 0.674 -1.543 -1.987 507 HD11 LEU 61 1HD1 LEU 61 2.367 -0.755 -3.687 508 HD12 LEU 61 2HD1 LEU 61 1.094 0.275 -4.338 509 HD13 LEU 61 3HD1 LEU 61 0.893 -1.477 -4.329 510 HD21 LEU 61 3HD2 LEU 61 0.991 0.447 -0.543 511 HD22 LEU 61 1HD2 LEU 61 1.622 1.307 -1.953 512 HD23 LEU 61 2HD2 LEU 61 2.457 -0.114 -1.341 513 H ALA 62 H ALA 62 0.575 3.291 -2.151 514 HA ALA 62 HA ALA 62 1.527 2.540 0.345 515 HB1 ALA 62 HB1 ALA 62 2.707 4.449 0.560 516 HB2 ALA 62 HB2 ALA 62 1.618 5.396 -0.477 517 HB3 ALA 62 HB3 ALA 62 2.671 4.162 -1.189 518 H ASP 63 H ASP 63 -1.502 3.416 -0.269 519 HA ASP 63 HA ASP 63 -1.831 4.422 2.419 520 HB2 ASP 63 HB2 ASP 63 -2.373 5.900 0.330 521 HB3 ASP 63 HB1 ASP 63 -3.847 4.944 0.258 522 H LEU 64 H LEU 64 -2.512 2.142 -0.042 523 HA LEU 64 HA LEU 64 -3.931 0.631 1.989 524 HB2 LEU 64 HB2 LEU 64 -5.427 -0.307 0.293 525 HB3 LEU 64 HB1 LEU 64 -5.749 1.383 0.650 526 HG LEU 64 HG LEU 64 -3.987 1.637 -1.380 527 HD11 LEU 64 1HD1 LEU 64 -3.641 -0.356 -2.202 528 HD12 LEU 64 2HD1 LEU 64 -5.131 -0.022 -3.097 529 HD13 LEU 64 3HD1 LEU 64 -5.177 -1.020 -1.638 530 HD21 LEU 64 3HD2 LEU 64 -5.864 2.938 -1.592 531 HD22 LEU 64 1HD2 LEU 64 -6.963 1.598 -1.267 532 HD23 LEU 64 2HD2 LEU 64 -6.184 1.736 -2.842 533 H THR 65 H THR 65 -2.230 -0.549 2.289 534 HA THR 65 HA THR 65 -1.225 -2.152 0.053 535 HB THR 65 HB THR 65 0.210 -2.984 2.297 536 HG1 THR 65 HG1 THR 65 0.729 -1.273 3.467 537 HG21 THR 65 3HG2 THR 65 0.785 -1.454 -0.075 538 HG22 THR 65 1HG2 THR 65 1.765 -2.652 0.765 539 HG23 THR 65 2HG2 THR 65 1.791 -0.971 1.290 540 HA PRO 66 HA PRO 66 -2.768 -6.262 1.395 541 HB2 PRO 66 HB2 PRO 66 -0.987 -6.926 3.500 542 HB3 PRO 66 HB1 PRO 66 -0.847 -7.445 1.811 543 HG2 PRO 66 HG2 PRO 66 0.275 -4.978 3.128 544 HG3 PRO 66 HG1 PRO 66 1.143 -6.169 2.099 545 HD2 PRO 66 HD2 PRO 66 0.421 -4.011 0.919 546 HD3 PRO 66 HD1 PRO 66 -0.250 -5.494 0.195 547 H GLU 67 H GLU 67 -1.745 -3.838 3.715 548 HA GLU 67 HA GLU 67 -3.130 -4.559 6.030 549 HB2 GLU 67 HB2 GLU 67 -3.104 -1.706 4.993 550 HB3 GLU 67 HB1 GLU 67 -2.863 -2.281 6.659 551 HG2 GLU 67 HG2 GLU 67 -0.966 -2.046 4.393 552 HG3 GLU 67 HG1 GLU 67 -0.772 -1.553 6.076 553 H GLU 68 H GLU 68 -3.962 -2.422 3.411 554 HA GLU 68 HA GLU 68 -6.776 -2.292 4.045 555 HB2 GLU 68 HB2 GLU 68 -4.961 -0.835 2.500 556 HB3 GLU 68 HB1 GLU 68 -6.108 -1.525 1.357 557 HG2 GLU 68 HG2 GLU 68 -7.468 0.121 1.848 558 HG3 GLU 68 HG1 GLU 68 -7.679 -0.597 3.442 559 H PHE 69 H PHE 69 -4.757 -3.509 1.481 560 HA PHE 69 HA PHE 69 -6.540 -4.714 -0.182 561 HB2 PHE 69 HB2 PHE 69 -3.674 -5.075 0.486 562 HB3 PHE 69 HB1 PHE 69 -4.422 -6.355 -0.457 563 HD1 PHE 69 HD1 PHE 69 -5.705 -5.614 -2.555 564 HD2 PHE 69 HD2 PHE 69 -2.784 -3.147 -0.595 565 HE1 PHE 69 HE1 PHE 69 -5.400 -4.322 -4.621 566 HE2 PHE 69 HE2 PHE 69 -2.504 -1.880 -2.676 567 HZ PHE 69 HZ PHE 69 -3.802 -2.455 -4.682 568 H ALA 70 H ALA 70 -5.689 -5.711 3.002 569 HA ALA 70 HA ALA 70 -6.472 -8.465 2.662 570 HB1 ALA 70 HB1 ALA 70 -6.330 -8.493 5.180 571 HB2 ALA 70 HB2 ALA 70 -5.824 -6.806 5.090 572 HB3 ALA 70 HB3 ALA 70 -4.840 -8.062 4.339 573 H GLN 71 H GLN 71 -7.872 -5.514 4.065 574 HA GLN 71 HA GLN 71 -10.476 -6.897 4.179 575 HB2 GLN 71 HB2 GLN 71 -9.542 -6.114 6.367 576 HB3 GLN 71 HB1 GLN 71 -9.643 -4.466 5.765 577 HG2 GLN 71 HG2 GLN 71 -12.169 -5.688 5.379 578 HG3 GLN 71 HG1 GLN 71 -11.645 -6.027 7.027 579 HE21 GLN 71 1HE2 GLN 71 -13.770 -4.269 5.938 580 HE22 GLN 71 2HE2 GLN 71 -13.462 -2.711 6.618 581 H ARG 72 H ARG 72 -8.831 -4.867 2.276 582 HA ARG 72 HA ARG 72 -10.906 -2.910 1.754 583 HB2 ARG 72 HB2 ARG 72 -8.650 -2.096 1.681 584 HB3 ARG 72 HB1 ARG 72 -8.158 -3.393 0.601 585 HG2 ARG 72 HG2 ARG 72 -8.283 -1.596 -0.801 586 HG3 ARG 72 HG1 ARG 72 -9.859 -2.357 -1.040 587 HD2 ARG 72 HD2 ARG 72 -10.856 -0.776 0.546 588 HD3 ARG 72 HD1 ARG 72 -9.282 -0.018 0.778 589 HE ARG 72 HE ARG 72 -9.548 1.081 -1.217 590 HH11 ARG 72 1HH1 ARG 72 -11.929 -1.461 -0.989 591 HH12 ARG 72 2HH1 ARG 72 -12.801 -0.940 -2.392 592 HH21 ARG 72 1HH2 ARG 72 -10.694 1.766 -3.062 593 HH22 ARG 72 2HH2 ARG 72 -12.100 0.891 -3.569 594 H SER 73 H SER 73 -9.286 -5.636 0.220 595 HA SER 73 HA SER 73 -11.550 -6.578 -1.082 596 HB2 SER 73 HB2 SER 73 -11.561 -4.777 -2.597 597 HB3 SER 73 HB1 SER 73 -9.802 -4.765 -2.730 598 HG SER 73 HG SER 73 -11.369 -6.953 -3.598 599 H GLY 74 H GLY 74 -10.646 -8.463 -0.184 600 HA2 GLY 74 HA2 GLY 74 -9.159 -10.056 -1.938 601 HA3 GLY 74 HA1 GLY 74 -8.050 -9.412 -0.736 602 H LYS 75 H LYS 75 -9.935 -9.393 1.433 603 HA LYS 75 HA LYS 75 -10.929 -12.068 1.773 604 HB2 LYS 75 HB2 LYS 75 -8.290 -11.866 2.277 605 HB3 LYS 75 HB1 LYS 75 -8.923 -11.389 3.847 606 HG2 LYS 75 HG2 LYS 75 -10.405 -13.600 3.349 607 HG3 LYS 75 HG1 LYS 75 -8.893 -14.012 2.537 608 HD2 LYS 75 HD2 LYS 75 -8.579 -12.823 5.205 609 HD3 LYS 75 HD1 LYS 75 -9.383 -14.394 5.185 610 HE2 LYS 75 HE2 LYS 75 -7.518 -15.489 4.522 611 HE3 LYS 75 HE1 LYS 75 -6.968 -14.156 3.508 612 HZ1 LYS 75 HZ1 LYS 75 -5.711 -14.775 5.689 613 HZ2 LYS 75 HZ2 LYS 75 -6.906 -13.829 6.423 614 HZ3 LYS 75 HZ3 LYS 75 -5.900 -13.154 5.242 615 H LYS 76 H LYS 76 -12.024 -12.358 3.839 616 HA LYS 76 HA LYS 76 -12.508 -9.911 5.362 617 HB2 LYS 76 HB2 LYS 76 -14.305 -10.886 3.402 618 HB3 LYS 76 HB1 LYS 76 -15.025 -11.236 4.968 619 HG2 LYS 76 HG2 LYS 76 -15.370 -9.058 5.451 620 HG3 LYS 76 HG1 LYS 76 -13.911 -8.526 4.616 621 HD2 LYS 76 HD2 LYS 76 -15.099 -9.052 2.453 622 HD3 LYS 76 HD1 LYS 76 -16.569 -9.261 3.408 623 HE2 LYS 76 HE2 LYS 76 -16.411 -6.975 4.202 624 HE3 LYS 76 HE1 LYS 76 -14.889 -6.758 3.338 625 HZ1 LYS 76 HZ1 LYS 76 -16.253 -5.912 1.780 626 HZ2 LYS 76 HZ2 LYS 76 -17.611 -6.760 2.326 627 HZ3 LYS 76 HZ3 LYS 76 -16.467 -7.535 1.350 628 H VAL 77 H VAL 77 -13.626 -13.286 5.043 629 HA VAL 77 HA VAL 77 -14.260 -13.676 7.735 630 HB VAL 77 HB VAL 77 -14.061 -16.099 7.265 631 HG11 VAL 77 1HG1 VAL 77 -15.594 -15.913 5.087 632 HG12 VAL 77 2HG1 VAL 77 -15.609 -14.220 5.580 633 HG13 VAL 77 3HG1 VAL 77 -16.165 -15.469 6.695 634 HG21 VAL 77 3HG2 VAL 77 -12.791 -15.078 4.750 635 HG22 VAL 77 1HG2 VAL 77 -13.609 -16.640 4.785 636 HG23 VAL 77 2HG2 VAL 77 -12.232 -16.341 5.845 637 HA PRO 78 HA PRO 78 -10.018 -13.622 9.281 638 HB2 PRO 78 HB2 PRO 78 -10.668 -13.765 11.911 639 HB3 PRO 78 HB1 PRO 78 -10.769 -12.266 10.981 640 HG2 PRO 78 HG2 PRO 78 -12.944 -14.189 11.719 641 HG3 PRO 78 HG1 PRO 78 -12.957 -12.416 11.760 642 HD2 PRO 78 HD2 PRO 78 -14.086 -13.833 9.749 643 HD3 PRO 78 HD1 PRO 78 -13.346 -12.240 9.495 644 HA PRO 79 HA PRO 79 -9.207 -17.905 10.003 645 HB2 PRO 79 HB2 PRO 79 -7.030 -17.803 11.615 646 HB3 PRO 79 HB1 PRO 79 -6.968 -17.387 9.899 647 HG2 PRO 79 HG2 PRO 79 -7.147 -15.582 12.280 648 HG3 PRO 79 HG1 PRO 79 -6.144 -15.420 10.827 649 HD2 PRO 79 HD2 PRO 79 -8.455 -14.047 11.167 650 HD3 PRO 79 HD1 PRO 79 -7.878 -14.568 9.572 651 H ASN 80 H ASN 80 -8.700 -19.498 11.850 652 HA ASN 80 HA ASN 80 -10.012 -18.695 14.349 653 HB2 ASN 80 HB2 ASN 80 -10.781 -20.972 12.546 654 HB3 ASN 80 HB1 ASN 80 -11.092 -21.057 14.277 655 HD21 ASN 80 1HD2 ASN 80 -11.627 -19.041 11.429 656 HD22 ASN 80 2HD2 ASN 80 -13.155 -18.416 11.938
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